USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 619 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00582 (180deg=-0.138) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 0.0837 (180deg=0.0341) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.095) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.096 K(o=-0.096,f=-0.66) USER MOD Single : A 30 LYS NZ :NH3+ -120:sc=-0.00865 (180deg=-0.158) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.122) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -0.0642 (180deg=-0.32) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0927 X(o=-0.093,f=-0.093) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 54 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.8!) USER MOD Single : A 57 HIS : no HD1:sc= -0.795 X(o=-0.79,f=-0.49) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -116:sc= -0.336 (180deg=-0.58) USER MOD Single : A 66 ASN : amide:sc= -2.32 K(o=-2.3,f=-1) USER MOD Single : A 70 GLN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 73 SER OG : rot 93:sc= -0.24 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= -0.145 (180deg=-0.747) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.58) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.6) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.599 38.953 32.077 1.00 61.01 N ATOM 2 CA MET A 1 -19.642 39.549 33.001 1.00 14.13 C ATOM 3 C MET A 1 -19.491 41.044 32.738 1.00 20.32 C ATOM 4 O MET A 1 -19.364 41.838 33.670 1.00 63.32 O ATOM 5 CB MET A 1 -18.283 38.858 32.878 1.00 50.23 C ATOM 6 CG MET A 1 -17.238 39.395 33.843 1.00 52.20 C ATOM 7 SD MET A 1 -15.763 38.361 33.914 1.00 23.25 S ATOM 8 CE MET A 1 -14.477 39.610 33.946 1.00 60.34 C ATOM 0 H1 MET A 1 -20.839 37.993 32.397 1.00 61.01 H new ATOM 0 H2 MET A 1 -21.461 39.534 32.047 1.00 61.01 H new ATOM 0 H3 MET A 1 -20.180 38.906 31.126 1.00 61.01 H new ATOM 0 HA MET A 1 -20.020 39.413 34.014 1.00 14.13 H new ATOM 0 HB2 MET A 1 -18.411 37.790 33.052 1.00 50.23 H new ATOM 0 HB3 MET A 1 -17.917 38.974 31.858 1.00 50.23 H new ATOM 0 HG2 MET A 1 -16.956 40.404 33.542 1.00 52.20 H new ATOM 0 HG3 MET A 1 -17.673 39.469 34.840 1.00 52.20 H new ATOM 0 HE1 MET A 1 -13.501 39.126 33.990 1.00 60.34 H new ATOM 0 HE2 MET A 1 -14.539 40.220 33.045 1.00 60.34 H new ATOM 0 HE3 MET A 1 -14.608 40.244 34.823 1.00 60.34 H new ATOM 16 N SER A 2 -19.505 41.420 31.463 1.00 31.51 N ATOM 17 CA SER A 2 -19.365 42.819 31.077 1.00 35.12 C ATOM 18 C SER A 2 -20.257 43.146 29.883 1.00 75.24 C ATOM 19 O SER A 2 -20.894 42.261 29.310 1.00 22.32 O ATOM 20 CB SER A 2 -17.906 43.133 30.740 1.00 45.50 C ATOM 21 OG SER A 2 -17.315 42.079 30.000 1.00 75.54 O ATOM 0 H SER A 2 -19.612 40.775 30.680 1.00 31.51 H new ATOM 0 HA SER A 2 -19.677 43.436 31.920 1.00 35.12 H new ATOM 0 HB2 SER A 2 -17.853 44.058 30.166 1.00 45.50 H new ATOM 0 HB3 SER A 2 -17.344 43.295 31.660 1.00 45.50 H new ATOM 0 HG SER A 2 -16.384 42.305 29.796 1.00 75.54 H new ATOM 26 N ASP A 3 -20.299 44.421 29.515 1.00 12.33 N ATOM 27 CA ASP A 3 -21.112 44.866 28.389 1.00 33.55 C ATOM 28 C ASP A 3 -20.381 45.933 27.580 1.00 53.33 C ATOM 29 O ASP A 3 -19.907 46.926 28.130 1.00 5.25 O ATOM 30 CB ASP A 3 -22.452 45.411 28.884 1.00 13.22 C ATOM 31 CG ASP A 3 -23.019 44.599 30.032 1.00 13.44 C ATOM 32 OD1 ASP A 3 -23.652 43.556 29.766 1.00 4.41 O ATOM 33 OD2 ASP A 3 -22.829 45.006 31.197 1.00 54.10 O ATOM 0 H ASP A 3 -19.779 45.165 29.980 1.00 12.33 H new ATOM 0 HA ASP A 3 -21.295 44.008 27.742 1.00 33.55 H new ATOM 0 HB2 ASP A 3 -22.325 46.446 29.203 1.00 13.22 H new ATOM 0 HB3 ASP A 3 -23.165 45.417 28.060 1.00 13.22 H new ATOM 37 N ALA A 4 -20.296 45.721 26.271 1.00 71.43 N ATOM 38 CA ALA A 4 -19.625 46.664 25.385 1.00 34.52 C ATOM 39 C ALA A 4 -20.634 47.499 24.606 1.00 13.45 C ATOM 40 O ALA A 4 -20.332 48.608 24.168 1.00 33.51 O ATOM 41 CB ALA A 4 -18.698 45.925 24.432 1.00 3.34 C ATOM 0 H ALA A 4 -20.684 44.904 25.800 1.00 71.43 H new ATOM 0 HA ALA A 4 -19.031 47.341 25.999 1.00 34.52 H new ATOM 0 HB1 ALA A 4 -18.204 46.642 23.776 1.00 3.34 H new ATOM 0 HB2 ALA A 4 -17.948 45.379 25.004 1.00 3.34 H new ATOM 0 HB3 ALA A 4 -19.277 45.224 23.832 1.00 3.34 H new ATOM 47 N GLY A 5 -21.837 46.958 24.436 1.00 65.44 N ATOM 48 CA GLY A 5 -22.873 47.666 23.708 1.00 3.45 C ATOM 49 C GLY A 5 -23.020 47.174 22.281 1.00 52.43 C ATOM 50 O GLY A 5 -22.033 46.833 21.630 1.00 3.11 O ATOM 0 H GLY A 5 -22.112 46.042 24.790 1.00 65.44 H new ATOM 0 HA2 GLY A 5 -23.823 47.549 24.229 1.00 3.45 H new ATOM 0 HA3 GLY A 5 -22.643 48.731 23.700 1.00 3.45 H new ATOM 53 N ARG A 6 -24.257 47.133 21.796 1.00 50.10 N ATOM 54 CA ARG A 6 -24.530 46.675 20.439 1.00 4.41 C ATOM 55 C ARG A 6 -24.986 47.833 19.556 1.00 43.24 C ATOM 56 O ARG A 6 -25.443 47.628 18.431 1.00 70.42 O ATOM 57 CB ARG A 6 -25.596 45.579 20.453 1.00 55.14 C ATOM 58 CG ARG A 6 -26.719 45.833 21.446 1.00 14.34 C ATOM 59 CD ARG A 6 -27.524 47.068 21.072 1.00 41.34 C ATOM 60 NE ARG A 6 -27.992 47.018 19.690 1.00 44.41 N ATOM 61 CZ ARG A 6 -28.588 48.036 19.078 1.00 11.21 C ATOM 62 NH1 ARG A 6 -28.786 49.177 19.723 1.00 25.21 N ATOM 63 NH2 ARG A 6 -28.986 47.913 17.818 1.00 15.30 N ATOM 0 H ARG A 6 -25.085 47.411 22.322 1.00 50.10 H new ATOM 0 HA ARG A 6 -23.607 46.268 20.027 1.00 4.41 H new ATOM 0 HB2 ARG A 6 -26.021 45.485 19.454 1.00 55.14 H new ATOM 0 HB3 ARG A 6 -25.122 44.626 20.689 1.00 55.14 H new ATOM 0 HG2 ARG A 6 -27.378 44.965 21.482 1.00 14.34 H new ATOM 0 HG3 ARG A 6 -26.302 45.958 22.445 1.00 14.34 H new ATOM 0 HD2 ARG A 6 -28.379 47.160 21.741 1.00 41.34 H new ATOM 0 HD3 ARG A 6 -26.911 47.958 21.215 1.00 41.34 H new ATOM 0 HE ARG A 6 -27.854 46.154 19.165 1.00 44.41 H new ATOM 0 HH11 ARG A 6 -28.481 49.275 20.691 1.00 25.21 H new ATOM 0 HH12 ARG A 6 -29.244 49.957 19.251 1.00 25.21 H new ATOM 0 HH21 ARG A 6 -28.835 47.037 17.319 1.00 15.30 H new ATOM 0 HH22 ARG A 6 -29.443 48.695 17.349 1.00 15.30 H new ATOM 74 N LYS A 7 -24.861 49.050 20.073 1.00 51.23 N ATOM 75 CA LYS A 7 -25.260 50.241 19.334 1.00 4.22 C ATOM 76 C LYS A 7 -24.431 50.395 18.062 1.00 63.45 C ATOM 77 O LYS A 7 -24.806 51.129 17.150 1.00 43.13 O ATOM 78 CB LYS A 7 -25.104 51.487 20.209 1.00 55.21 C ATOM 79 CG LYS A 7 -23.734 51.611 20.852 1.00 34.34 C ATOM 80 CD LYS A 7 -23.765 51.196 22.313 1.00 35.41 C ATOM 81 CE LYS A 7 -22.738 51.965 23.133 1.00 42.44 C ATOM 82 NZ LYS A 7 -23.338 53.153 23.799 1.00 13.30 N ATOM 0 H LYS A 7 -24.486 49.238 21.003 1.00 51.23 H new ATOM 0 HA LYS A 7 -26.308 50.130 19.054 1.00 4.22 H new ATOM 0 HB2 LYS A 7 -25.293 52.373 19.602 1.00 55.21 H new ATOM 0 HB3 LYS A 7 -25.863 51.469 20.991 1.00 55.21 H new ATOM 0 HG2 LYS A 7 -23.020 50.990 20.311 1.00 34.34 H new ATOM 0 HG3 LYS A 7 -23.385 52.641 20.772 1.00 34.34 H new ATOM 0 HD2 LYS A 7 -24.761 51.369 22.720 1.00 35.41 H new ATOM 0 HD3 LYS A 7 -23.569 50.127 22.393 1.00 35.41 H new ATOM 0 HE2 LYS A 7 -22.307 51.305 23.886 1.00 42.44 H new ATOM 0 HE3 LYS A 7 -21.922 52.285 22.485 1.00 42.44 H new ATOM 0 HZ1 LYS A 7 -22.607 53.650 24.347 1.00 13.30 H new ATOM 0 HZ2 LYS A 7 -23.727 53.795 23.079 1.00 13.30 H new ATOM 0 HZ3 LYS A 7 -24.100 52.846 24.437 1.00 13.30 H new ATOM 92 N GLY A 8 -23.301 49.695 18.009 1.00 43.35 N ATOM 93 CA GLY A 8 -22.438 49.766 16.844 1.00 10.04 C ATOM 94 C GLY A 8 -20.982 49.969 17.214 1.00 64.33 C ATOM 95 O GLY A 8 -20.090 49.744 16.395 1.00 32.21 O ATOM 0 H GLY A 8 -22.968 49.080 18.752 1.00 43.35 H new ATOM 0 HA2 GLY A 8 -22.538 48.848 16.265 1.00 10.04 H new ATOM 0 HA3 GLY A 8 -22.765 50.585 16.203 1.00 10.04 H new ATOM 98 N PHE A 9 -20.740 50.394 18.449 1.00 2.05 N ATOM 99 CA PHE A 9 -19.382 50.630 18.924 1.00 21.41 C ATOM 100 C PHE A 9 -18.769 49.346 19.476 1.00 4.42 C ATOM 101 O PHE A 9 -17.572 49.287 19.758 1.00 1.51 O ATOM 102 CB PHE A 9 -19.377 51.716 20.002 1.00 63.42 C ATOM 103 CG PHE A 9 -17.999 52.086 20.473 1.00 32.03 C ATOM 104 CD1 PHE A 9 -17.162 52.850 19.675 1.00 60.31 C ATOM 105 CD2 PHE A 9 -17.542 51.672 21.714 1.00 2.21 C ATOM 106 CE1 PHE A 9 -15.894 53.191 20.106 1.00 13.53 C ATOM 107 CE2 PHE A 9 -16.275 52.011 22.149 1.00 31.41 C ATOM 108 CZ PHE A 9 -15.450 52.773 21.345 1.00 51.21 C ATOM 0 H PHE A 9 -21.467 50.582 19.139 1.00 2.05 H new ATOM 0 HA PHE A 9 -18.781 50.965 18.079 1.00 21.41 H new ATOM 0 HB2 PHE A 9 -19.870 52.606 19.612 1.00 63.42 H new ATOM 0 HB3 PHE A 9 -19.964 51.374 20.854 1.00 63.42 H new ATOM 0 HD1 PHE A 9 -17.504 53.182 18.706 1.00 60.31 H new ATOM 0 HD2 PHE A 9 -18.183 51.078 22.348 1.00 2.21 H new ATOM 0 HE1 PHE A 9 -15.250 53.784 19.474 1.00 13.53 H new ATOM 0 HE2 PHE A 9 -15.930 51.680 23.117 1.00 31.41 H new ATOM 0 HZ PHE A 9 -14.460 53.041 21.684 1.00 51.21 H new ATOM 117 N GLY A 10 -19.599 48.318 19.628 1.00 22.23 N ATOM 118 CA GLY A 10 -19.122 47.050 20.147 1.00 44.21 C ATOM 119 C GLY A 10 -18.754 46.075 19.045 1.00 30.30 C ATOM 120 O GLY A 10 -17.726 45.404 19.121 1.00 72.24 O ATOM 0 H GLY A 10 -20.593 48.341 19.401 1.00 22.23 H new ATOM 0 HA2 GLY A 10 -18.252 47.224 20.780 1.00 44.21 H new ATOM 0 HA3 GLY A 10 -19.892 46.606 20.779 1.00 44.21 H new ATOM 123 N GLU A 11 -19.597 45.998 18.020 1.00 61.40 N ATOM 124 CA GLU A 11 -19.355 45.096 16.900 1.00 61.35 C ATOM 125 C GLU A 11 -18.095 45.499 16.139 1.00 44.35 C ATOM 126 O GLU A 11 -17.514 44.697 15.407 1.00 3.23 O ATOM 127 CB GLU A 11 -20.556 45.088 15.954 1.00 43.21 C ATOM 128 CG GLU A 11 -21.858 44.685 16.625 1.00 63.44 C ATOM 129 CD GLU A 11 -22.981 44.456 15.631 1.00 74.40 C ATOM 130 OE1 GLU A 11 -23.118 45.269 14.693 1.00 73.32 O ATOM 131 OE2 GLU A 11 -23.723 43.464 15.794 1.00 2.45 O ATOM 0 H GLU A 11 -20.452 46.548 17.942 1.00 61.40 H new ATOM 0 HA GLU A 11 -19.211 44.092 17.300 1.00 61.35 H new ATOM 0 HB2 GLU A 11 -20.673 46.081 15.521 1.00 43.21 H new ATOM 0 HB3 GLU A 11 -20.354 44.403 15.131 1.00 43.21 H new ATOM 0 HG2 GLU A 11 -21.698 43.775 17.203 1.00 63.44 H new ATOM 0 HG3 GLU A 11 -22.155 45.462 17.330 1.00 63.44 H new ATOM 136 N LYS A 12 -17.679 46.748 16.315 1.00 72.20 N ATOM 137 CA LYS A 12 -16.488 47.261 15.647 1.00 52.55 C ATOM 138 C LYS A 12 -15.265 47.142 16.549 1.00 31.34 C ATOM 139 O LYS A 12 -14.208 46.682 16.119 1.00 21.41 O ATOM 140 CB LYS A 12 -16.696 48.721 15.240 1.00 41.22 C ATOM 141 CG LYS A 12 -17.078 49.627 16.398 1.00 32.15 C ATOM 142 CD LYS A 12 -15.878 50.402 16.918 1.00 14.41 C ATOM 143 CE LYS A 12 -15.837 51.813 16.350 1.00 54.43 C ATOM 144 NZ LYS A 12 -14.631 52.558 16.804 1.00 1.44 N ATOM 0 H LYS A 12 -18.149 47.425 16.915 1.00 72.20 H new ATOM 0 HA LYS A 12 -16.317 46.662 14.752 1.00 52.55 H new ATOM 0 HB2 LYS A 12 -15.780 49.096 14.783 1.00 41.22 H new ATOM 0 HB3 LYS A 12 -17.475 48.770 14.479 1.00 41.22 H new ATOM 0 HG2 LYS A 12 -17.851 50.325 16.076 1.00 32.15 H new ATOM 0 HG3 LYS A 12 -17.504 49.029 17.204 1.00 32.15 H new ATOM 0 HD2 LYS A 12 -15.917 50.448 18.006 1.00 14.41 H new ATOM 0 HD3 LYS A 12 -14.961 49.875 16.654 1.00 14.41 H new ATOM 0 HE2 LYS A 12 -15.847 51.767 15.261 1.00 54.43 H new ATOM 0 HE3 LYS A 12 -16.734 52.353 16.654 1.00 54.43 H new ATOM 0 HZ1 LYS A 12 -14.492 53.394 16.201 1.00 1.44 H new ATOM 0 HZ2 LYS A 12 -14.761 52.861 17.790 1.00 1.44 H new ATOM 0 HZ3 LYS A 12 -13.797 51.941 16.738 1.00 1.44 H new ATOM 154 N ALA A 13 -15.415 47.560 17.801 1.00 53.03 N ATOM 155 CA ALA A 13 -14.323 47.497 18.765 1.00 65.12 C ATOM 156 C ALA A 13 -13.995 46.053 19.130 1.00 63.33 C ATOM 157 O ALA A 13 -12.838 45.712 19.377 1.00 15.22 O ATOM 158 CB ALA A 13 -14.674 48.292 20.014 1.00 62.30 C ATOM 0 H ALA A 13 -16.283 47.946 18.172 1.00 53.03 H new ATOM 0 HA ALA A 13 -13.439 47.938 18.304 1.00 65.12 H new ATOM 0 HB1 ALA A 13 -13.849 48.236 20.725 1.00 62.30 H new ATOM 0 HB2 ALA A 13 -14.851 49.333 19.745 1.00 62.30 H new ATOM 0 HB3 ALA A 13 -15.574 47.877 20.469 1.00 62.30 H new ATOM 164 N SER A 14 -15.021 45.208 19.161 1.00 51.11 N ATOM 165 CA SER A 14 -14.842 43.801 19.501 1.00 23.34 C ATOM 166 C SER A 14 -14.275 43.025 18.317 1.00 62.32 C ATOM 167 O SER A 14 -13.517 42.071 18.492 1.00 63.52 O ATOM 168 CB SER A 14 -16.173 43.186 19.937 1.00 43.11 C ATOM 169 OG SER A 14 -15.980 41.902 20.504 1.00 51.33 O ATOM 0 H SER A 14 -15.984 45.473 18.955 1.00 51.11 H new ATOM 0 HA SER A 14 -14.134 43.740 20.327 1.00 23.34 H new ATOM 0 HB2 SER A 14 -16.658 43.838 20.663 1.00 43.11 H new ATOM 0 HB3 SER A 14 -16.841 43.111 19.079 1.00 43.11 H new ATOM 0 HG SER A 14 -16.845 41.531 20.776 1.00 51.33 H new ATOM 174 N GLU A 15 -14.647 43.440 17.111 1.00 2.43 N ATOM 175 CA GLU A 15 -14.176 42.784 15.896 1.00 53.34 C ATOM 176 C GLU A 15 -12.853 43.383 15.432 1.00 32.53 C ATOM 177 O GLU A 15 -12.065 42.724 14.755 1.00 32.34 O ATOM 178 CB GLU A 15 -15.222 42.906 14.786 1.00 22.43 C ATOM 179 CG GLU A 15 -15.135 44.209 14.009 1.00 24.12 C ATOM 180 CD GLU A 15 -16.188 44.312 12.923 1.00 64.53 C ATOM 181 OE1 GLU A 15 -17.142 43.508 12.943 1.00 14.23 O ATOM 182 OE2 GLU A 15 -16.056 45.198 12.052 1.00 31.40 O ATOM 0 H GLU A 15 -15.274 44.228 16.948 1.00 2.43 H new ATOM 0 HA GLU A 15 -14.017 41.729 16.121 1.00 53.34 H new ATOM 0 HB2 GLU A 15 -15.105 42.072 14.094 1.00 22.43 H new ATOM 0 HB3 GLU A 15 -16.216 42.820 15.224 1.00 22.43 H new ATOM 0 HG2 GLU A 15 -15.246 45.046 14.698 1.00 24.12 H new ATOM 0 HG3 GLU A 15 -14.146 44.294 13.560 1.00 24.12 H new ATOM 187 N ALA A 16 -12.616 44.637 15.803 1.00 24.43 N ATOM 188 CA ALA A 16 -11.387 45.326 15.426 1.00 71.23 C ATOM 189 C ALA A 16 -10.208 44.843 16.263 1.00 75.12 C ATOM 190 O ALA A 16 -9.066 44.840 15.802 1.00 73.51 O ATOM 191 CB ALA A 16 -11.558 46.830 15.572 1.00 14.51 C ATOM 0 H ALA A 16 -13.258 45.197 16.364 1.00 24.43 H new ATOM 0 HA ALA A 16 -11.177 45.095 14.382 1.00 71.23 H new ATOM 0 HB1 ALA A 16 -10.633 47.331 15.287 1.00 14.51 H new ATOM 0 HB2 ALA A 16 -12.368 47.169 14.926 1.00 14.51 H new ATOM 0 HB3 ALA A 16 -11.796 47.070 16.608 1.00 14.51 H new ATOM 197 N LEU A 17 -10.491 44.435 17.495 1.00 13.44 N ATOM 198 CA LEU A 17 -9.453 43.950 18.399 1.00 40.04 C ATOM 199 C LEU A 17 -9.369 42.427 18.363 1.00 10.53 C ATOM 200 O LEU A 17 -8.431 41.834 18.896 1.00 54.13 O ATOM 201 CB LEU A 17 -9.730 44.424 19.827 1.00 61.52 C ATOM 202 CG LEU A 17 -10.969 43.833 20.502 1.00 65.40 C ATOM 203 CD1 LEU A 17 -10.673 42.439 21.034 1.00 3.43 C ATOM 204 CD2 LEU A 17 -11.451 44.742 21.622 1.00 22.03 C ATOM 0 H LEU A 17 -11.431 44.430 17.891 1.00 13.44 H new ATOM 0 HA LEU A 17 -8.497 44.356 18.068 1.00 40.04 H new ATOM 0 HB2 LEU A 17 -8.860 44.191 20.441 1.00 61.52 H new ATOM 0 HB3 LEU A 17 -9.830 45.509 19.815 1.00 61.52 H new ATOM 0 HG LEU A 17 -11.762 43.755 19.758 1.00 65.40 H new ATOM 0 HD11 LEU A 17 -11.566 42.034 21.511 1.00 3.43 H new ATOM 0 HD12 LEU A 17 -10.376 41.790 20.210 1.00 3.43 H new ATOM 0 HD13 LEU A 17 -9.865 42.492 21.763 1.00 3.43 H new ATOM 0 HD21 LEU A 17 -12.333 44.306 22.091 1.00 22.03 H new ATOM 0 HD22 LEU A 17 -10.662 44.853 22.366 1.00 22.03 H new ATOM 0 HD23 LEU A 17 -11.704 45.720 21.213 1.00 22.03 H new ATOM 215 N LYS A 18 -10.354 41.799 17.729 1.00 15.44 N ATOM 216 CA LYS A 18 -10.391 40.346 17.620 1.00 61.11 C ATOM 217 C LYS A 18 -8.994 39.784 17.372 1.00 52.54 C ATOM 218 O LYS A 18 -8.422 39.934 16.292 1.00 32.31 O ATOM 219 CB LYS A 18 -11.331 39.923 16.489 1.00 72.41 C ATOM 220 CG LYS A 18 -12.677 39.413 16.976 1.00 23.21 C ATOM 221 CD LYS A 18 -12.533 38.113 17.750 1.00 14.22 C ATOM 222 CE LYS A 18 -13.846 37.702 18.397 1.00 12.41 C ATOM 223 NZ LYS A 18 -14.044 38.360 19.718 1.00 12.44 N ATOM 0 H LYS A 18 -11.138 42.275 17.283 1.00 15.44 H new ATOM 0 HA LYS A 18 -10.763 39.945 18.563 1.00 61.11 H new ATOM 0 HB2 LYS A 18 -11.492 40.772 15.825 1.00 72.41 H new ATOM 0 HB3 LYS A 18 -10.848 39.144 15.899 1.00 72.41 H new ATOM 0 HG2 LYS A 18 -13.144 40.166 17.611 1.00 23.21 H new ATOM 0 HG3 LYS A 18 -13.339 39.259 16.124 1.00 23.21 H new ATOM 0 HD2 LYS A 18 -12.194 37.324 17.078 1.00 14.22 H new ATOM 0 HD3 LYS A 18 -11.768 38.228 18.518 1.00 14.22 H new ATOM 0 HE2 LYS A 18 -14.673 37.960 17.735 1.00 12.41 H new ATOM 0 HE3 LYS A 18 -13.865 36.620 18.524 1.00 12.41 H new ATOM 0 HZ1 LYS A 18 -14.950 38.054 20.126 1.00 12.44 H new ATOM 0 HZ2 LYS A 18 -13.269 38.094 20.358 1.00 12.44 H new ATOM 0 HZ3 LYS A 18 -14.052 39.393 19.594 1.00 12.44 H new ATOM 233 N PRO A 19 -8.434 39.119 18.393 1.00 22.55 N ATOM 234 CA PRO A 19 -7.099 38.520 18.309 1.00 71.22 C ATOM 235 C PRO A 19 -7.063 37.314 17.376 1.00 70.34 C ATOM 236 O PRO A 19 -7.099 36.168 17.826 1.00 70.01 O ATOM 237 CB PRO A 19 -6.812 38.090 19.750 1.00 1.23 C ATOM 238 CG PRO A 19 -8.156 37.894 20.362 1.00 63.54 C ATOM 239 CD PRO A 19 -9.059 38.902 19.708 1.00 11.44 C ATOM 0 HA PRO A 19 -6.365 39.216 17.903 1.00 71.22 H new ATOM 0 HB2 PRO A 19 -6.226 37.172 19.780 1.00 1.23 H new ATOM 0 HB3 PRO A 19 -6.241 38.850 20.284 1.00 1.23 H new ATOM 0 HG2 PRO A 19 -8.517 36.879 20.194 1.00 63.54 H new ATOM 0 HG3 PRO A 19 -8.119 38.045 21.441 1.00 63.54 H new ATOM 0 HD2 PRO A 19 -10.077 38.526 19.611 1.00 11.44 H new ATOM 0 HD3 PRO A 19 -9.114 39.826 20.284 1.00 11.44 H new ATOM 244 N ASP A 20 -6.992 37.578 16.076 1.00 11.22 N ATOM 245 CA ASP A 20 -6.949 36.514 15.081 1.00 43.33 C ATOM 246 C ASP A 20 -5.510 36.119 14.768 1.00 11.32 C ATOM 247 O ASP A 20 -5.230 35.522 13.728 1.00 51.42 O ATOM 248 CB ASP A 20 -7.659 36.957 13.800 1.00 72.02 C ATOM 249 CG ASP A 20 -7.232 38.341 13.350 1.00 70.45 C ATOM 250 OD1 ASP A 20 -6.171 38.453 12.701 1.00 62.22 O ATOM 251 OD2 ASP A 20 -7.960 39.311 13.646 1.00 60.02 O ATOM 0 H ASP A 20 -6.963 38.520 15.687 1.00 11.22 H new ATOM 0 HA ASP A 20 -7.463 35.645 15.492 1.00 43.33 H new ATOM 0 HB2 ASP A 20 -7.451 36.240 13.006 1.00 72.02 H new ATOM 0 HB3 ASP A 20 -8.737 36.948 13.964 1.00 72.02 H new ATOM 255 N SER A 21 -4.599 36.456 15.675 1.00 31.04 N ATOM 256 CA SER A 21 -3.187 36.141 15.495 1.00 63.32 C ATOM 257 C SER A 21 -2.876 34.734 15.996 1.00 65.14 C ATOM 258 O SER A 21 -1.860 34.143 15.628 1.00 54.21 O ATOM 259 CB SER A 21 -2.317 37.161 16.232 1.00 22.41 C ATOM 260 OG SER A 21 -0.971 37.095 15.792 1.00 4.13 O ATOM 0 H SER A 21 -4.814 36.948 16.543 1.00 31.04 H new ATOM 0 HA SER A 21 -2.963 36.186 14.429 1.00 63.32 H new ATOM 0 HB2 SER A 21 -2.708 38.165 16.066 1.00 22.41 H new ATOM 0 HB3 SER A 21 -2.362 36.974 17.305 1.00 22.41 H new ATOM 0 HG SER A 21 -0.436 37.757 16.277 1.00 4.13 H new ATOM 265 N GLN A 22 -3.758 34.204 16.837 1.00 20.31 N ATOM 266 CA GLN A 22 -3.577 32.866 17.390 1.00 3.23 C ATOM 267 C GLN A 22 -4.673 31.924 16.903 1.00 43.32 C ATOM 268 O GLN A 22 -4.401 30.948 16.203 1.00 60.31 O ATOM 269 CB GLN A 22 -3.577 32.919 18.919 1.00 5.22 C ATOM 270 CG GLN A 22 -2.452 33.761 19.498 1.00 33.02 C ATOM 271 CD GLN A 22 -2.406 33.712 21.012 1.00 72.52 C ATOM 272 OE1 GLN A 22 -3.358 34.104 21.687 1.00 21.22 O ATOM 273 NE2 GLN A 22 -1.294 33.228 21.555 1.00 75.13 N ATOM 0 H GLN A 22 -4.604 34.679 17.150 1.00 20.31 H new ATOM 0 HA GLN A 22 -2.615 32.485 17.046 1.00 3.23 H new ATOM 0 HB2 GLN A 22 -4.532 33.319 19.260 1.00 5.22 H new ATOM 0 HB3 GLN A 22 -3.498 31.904 19.310 1.00 5.22 H new ATOM 0 HG2 GLN A 22 -1.500 33.413 19.098 1.00 33.02 H new ATOM 0 HG3 GLN A 22 -2.574 34.795 19.175 1.00 33.02 H new ATOM 0 HE21 GLN A 22 -0.529 32.914 20.957 1.00 75.13 H new ATOM 0 HE22 GLN A 22 -1.205 33.170 22.569 1.00 75.13 H new ATOM 280 N LYS A 23 -5.912 32.223 17.276 1.00 63.04 N ATOM 281 CA LYS A 23 -7.050 31.403 16.876 1.00 10.51 C ATOM 282 C LYS A 23 -6.932 30.982 15.416 1.00 65.23 C ATOM 283 O LYS A 23 -6.697 29.812 15.113 1.00 35.20 O ATOM 284 CB LYS A 23 -8.357 32.168 17.093 1.00 53.50 C ATOM 285 CG LYS A 23 -8.219 33.671 16.919 1.00 34.41 C ATOM 286 CD LYS A 23 -9.449 34.273 16.262 1.00 40.34 C ATOM 287 CE LYS A 23 -10.694 34.058 17.109 1.00 41.34 C ATOM 288 NZ LYS A 23 -11.929 34.493 16.399 1.00 1.33 N ATOM 0 H LYS A 23 -6.154 33.027 17.855 1.00 63.04 H new ATOM 0 HA LYS A 23 -7.054 30.506 17.495 1.00 10.51 H new ATOM 0 HB2 LYS A 23 -9.106 31.797 16.393 1.00 53.50 H new ATOM 0 HB3 LYS A 23 -8.728 31.960 18.097 1.00 53.50 H new ATOM 0 HG2 LYS A 23 -8.060 34.137 17.891 1.00 34.41 H new ATOM 0 HG3 LYS A 23 -7.339 33.889 16.314 1.00 34.41 H new ATOM 0 HD2 LYS A 23 -9.294 35.340 16.106 1.00 40.34 H new ATOM 0 HD3 LYS A 23 -9.594 33.825 15.279 1.00 40.34 H new ATOM 0 HE2 LYS A 23 -10.778 33.003 17.371 1.00 41.34 H new ATOM 0 HE3 LYS A 23 -10.598 34.611 18.043 1.00 41.34 H new ATOM 0 HZ1 LYS A 23 -12.733 34.474 17.058 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 -11.800 35.460 16.038 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 -12.118 33.849 15.604 1.00 1.33 H new ATOM 298 N SER A 24 -7.094 31.944 14.512 1.00 54.24 N ATOM 299 CA SER A 24 -7.008 31.673 13.082 1.00 64.35 C ATOM 300 C SER A 24 -5.920 30.643 12.790 1.00 4.32 C ATOM 301 O SER A 24 -6.016 29.878 11.830 1.00 61.02 O ATOM 302 CB SER A 24 -6.724 32.963 12.312 1.00 14.44 C ATOM 303 OG SER A 24 -7.732 33.214 11.348 1.00 23.31 O ATOM 0 H SER A 24 -7.286 32.918 14.745 1.00 54.24 H new ATOM 0 HA SER A 24 -7.966 31.268 12.756 1.00 64.35 H new ATOM 0 HB2 SER A 24 -6.665 33.800 13.008 1.00 14.44 H new ATOM 0 HB3 SER A 24 -5.755 32.890 11.819 1.00 14.44 H new ATOM 0 HG SER A 24 -7.528 34.045 10.870 1.00 23.31 H new ATOM 308 N TYR A 25 -4.886 30.633 13.623 1.00 74.44 N ATOM 309 CA TYR A 25 -3.778 29.700 13.454 1.00 21.44 C ATOM 310 C TYR A 25 -4.063 28.380 14.164 1.00 33.21 C ATOM 311 O TYR A 25 -3.908 27.304 13.586 1.00 12.14 O ATOM 312 CB TYR A 25 -2.483 30.311 13.991 1.00 11.24 C ATOM 313 CG TYR A 25 -2.126 31.634 13.350 1.00 75.24 C ATOM 314 CD1 TYR A 25 -2.926 32.755 13.535 1.00 13.33 C ATOM 315 CD2 TYR A 25 -0.992 31.762 12.558 1.00 12.24 C ATOM 316 CE1 TYR A 25 -2.605 33.965 12.951 1.00 35.44 C ATOM 317 CE2 TYR A 25 -0.662 32.969 11.972 1.00 70.14 C ATOM 318 CZ TYR A 25 -1.473 34.067 12.171 1.00 30.44 C ATOM 319 OH TYR A 25 -1.148 35.270 11.587 1.00 15.34 O ATOM 0 H TYR A 25 -4.792 31.260 14.422 1.00 74.44 H new ATOM 0 HA TYR A 25 -3.664 29.501 12.388 1.00 21.44 H new ATOM 0 HB2 TYR A 25 -2.577 30.452 15.068 1.00 11.24 H new ATOM 0 HB3 TYR A 25 -1.666 29.607 13.832 1.00 11.24 H new ATOM 0 HD1 TYR A 25 -3.814 32.679 14.146 1.00 13.33 H new ATOM 0 HD2 TYR A 25 -0.357 30.903 12.397 1.00 12.24 H new ATOM 0 HE1 TYR A 25 -3.238 34.827 13.105 1.00 35.44 H new ATOM 0 HE2 TYR A 25 0.225 33.052 11.362 1.00 70.14 H new ATOM 0 HH TYR A 25 -0.320 35.170 11.072 1.00 15.34 H new ATOM 328 N ALA A 26 -4.481 28.471 15.422 1.00 52.54 N ATOM 329 CA ALA A 26 -4.791 27.286 16.212 1.00 61.32 C ATOM 330 C ALA A 26 -6.107 26.657 15.766 1.00 15.33 C ATOM 331 O ALA A 26 -6.181 25.453 15.531 1.00 54.15 O ATOM 332 CB ALA A 26 -4.845 27.637 17.691 1.00 54.41 C ATOM 0 H ALA A 26 -4.613 29.354 15.916 1.00 52.54 H new ATOM 0 HA ALA A 26 -3.998 26.556 16.052 1.00 61.32 H new ATOM 0 HB1 ALA A 26 -5.077 26.743 18.269 1.00 54.41 H new ATOM 0 HB2 ALA A 26 -3.879 28.032 18.007 1.00 54.41 H new ATOM 0 HB3 ALA A 26 -5.617 28.388 17.859 1.00 54.41 H new ATOM 338 N GLU A 27 -7.143 27.483 15.653 1.00 73.22 N ATOM 339 CA GLU A 27 -8.457 27.006 15.237 1.00 43.32 C ATOM 340 C GLU A 27 -8.372 26.273 13.901 1.00 21.04 C ATOM 341 O GLU A 27 -8.765 25.112 13.793 1.00 22.14 O ATOM 342 CB GLU A 27 -9.438 28.176 15.127 1.00 34.44 C ATOM 343 CG GLU A 27 -10.870 27.746 14.861 1.00 62.21 C ATOM 344 CD GLU A 27 -11.781 27.984 16.050 1.00 4.42 C ATOM 345 OE1 GLU A 27 -11.481 27.463 17.142 1.00 73.35 O ATOM 346 OE2 GLU A 27 -12.796 28.696 15.885 1.00 74.44 O ATOM 0 H GLU A 27 -7.098 28.484 15.843 1.00 73.22 H new ATOM 0 HA GLU A 27 -8.818 26.308 15.993 1.00 43.32 H new ATOM 0 HB2 GLU A 27 -9.407 28.754 16.051 1.00 34.44 H new ATOM 0 HB3 GLU A 27 -9.112 28.839 14.325 1.00 34.44 H new ATOM 0 HG2 GLU A 27 -11.255 28.290 13.999 1.00 62.21 H new ATOM 0 HG3 GLU A 27 -10.885 26.687 14.602 1.00 62.21 H new ATOM 351 N GLN A 28 -7.855 26.961 12.887 1.00 12.30 N ATOM 352 CA GLN A 28 -7.720 26.377 11.559 1.00 41.42 C ATOM 353 C GLN A 28 -7.138 24.970 11.640 1.00 72.33 C ATOM 354 O GLN A 28 -7.507 24.089 10.864 1.00 73.43 O ATOM 355 CB GLN A 28 -6.832 27.258 10.678 1.00 14.22 C ATOM 356 CG GLN A 28 -5.370 27.255 11.093 1.00 73.02 C ATOM 357 CD GLN A 28 -4.481 27.981 10.103 1.00 42.44 C ATOM 358 OE1 GLN A 28 -4.932 28.873 9.384 1.00 13.34 O ATOM 359 NE2 GLN A 28 -3.210 27.601 10.058 1.00 31.23 N ATOM 0 H GLN A 28 -7.523 27.923 12.961 1.00 12.30 H new ATOM 0 HA GLN A 28 -8.713 26.315 11.115 1.00 41.42 H new ATOM 0 HB2 GLN A 28 -6.909 26.919 9.645 1.00 14.22 H new ATOM 0 HB3 GLN A 28 -7.207 28.281 10.706 1.00 14.22 H new ATOM 0 HG2 GLN A 28 -5.273 27.722 12.073 1.00 73.02 H new ATOM 0 HG3 GLN A 28 -5.028 26.225 11.196 1.00 73.02 H new ATOM 0 HE21 GLN A 28 -2.878 26.857 10.672 1.00 31.23 H new ATOM 0 HE22 GLN A 28 -2.565 28.053 9.409 1.00 31.23 H new ATOM 366 N GLY A 29 -6.225 24.765 12.585 1.00 50.13 N ATOM 367 CA GLY A 29 -5.606 23.463 12.750 1.00 72.24 C ATOM 368 C GLY A 29 -6.477 22.503 13.535 1.00 74.15 C ATOM 369 O GLY A 29 -6.477 21.298 13.277 1.00 22.14 O ATOM 0 H GLY A 29 -5.903 25.478 13.239 1.00 50.13 H new ATOM 0 HA2 GLY A 29 -5.394 23.038 11.769 1.00 72.24 H new ATOM 0 HA3 GLY A 29 -4.650 23.581 13.259 1.00 72.24 H new ATOM 372 N LYS A 30 -7.222 23.035 14.499 1.00 65.53 N ATOM 373 CA LYS A 30 -8.101 22.218 15.327 1.00 65.45 C ATOM 374 C LYS A 30 -9.317 21.751 14.532 1.00 42.05 C ATOM 375 O LYS A 30 -9.693 20.580 14.588 1.00 11.41 O ATOM 376 CB LYS A 30 -8.555 23.005 16.557 1.00 61.34 C ATOM 377 CG LYS A 30 -9.894 23.699 16.376 1.00 63.55 C ATOM 378 CD LYS A 30 -10.275 24.506 17.606 1.00 42.03 C ATOM 379 CE LYS A 30 -10.597 23.603 18.787 1.00 32.52 C ATOM 380 NZ LYS A 30 -11.850 22.829 18.569 1.00 31.41 N ATOM 0 H LYS A 30 -7.234 24.029 14.726 1.00 65.53 H new ATOM 0 HA LYS A 30 -7.541 21.341 15.652 1.00 65.45 H new ATOM 0 HB2 LYS A 30 -8.619 22.327 17.408 1.00 61.34 H new ATOM 0 HB3 LYS A 30 -7.799 23.751 16.800 1.00 61.34 H new ATOM 0 HG2 LYS A 30 -9.850 24.357 15.508 1.00 63.55 H new ATOM 0 HG3 LYS A 30 -10.665 22.956 16.174 1.00 63.55 H new ATOM 0 HD2 LYS A 30 -9.457 25.176 17.871 1.00 42.03 H new ATOM 0 HD3 LYS A 30 -11.138 25.132 17.379 1.00 42.03 H new ATOM 0 HE2 LYS A 30 -9.769 22.914 18.953 1.00 32.52 H new ATOM 0 HE3 LYS A 30 -10.696 24.207 19.689 1.00 32.52 H new ATOM 0 HZ1 LYS A 30 -12.537 23.064 19.314 1.00 31.41 H new ATOM 0 HZ2 LYS A 30 -12.250 23.071 17.640 1.00 31.41 H new ATOM 0 HZ3 LYS A 30 -11.639 21.811 18.601 1.00 31.41 H new ATOM 390 N GLU A 31 -9.925 22.673 13.792 1.00 22.33 N ATOM 391 CA GLU A 31 -11.097 22.354 12.986 1.00 30.41 C ATOM 392 C GLU A 31 -10.845 21.120 12.124 1.00 62.34 C ATOM 393 O GLU A 31 -11.776 20.395 11.772 1.00 31.12 O ATOM 394 CB GLU A 31 -11.471 23.542 12.098 1.00 42.23 C ATOM 395 CG GLU A 31 -10.382 23.933 11.113 1.00 4.21 C ATOM 396 CD GLU A 31 -10.903 24.795 9.979 1.00 62.14 C ATOM 397 OE1 GLU A 31 -11.862 25.561 10.208 1.00 40.21 O ATOM 398 OE2 GLU A 31 -10.350 24.703 8.863 1.00 23.22 O ATOM 0 H GLU A 31 -9.625 23.646 13.734 1.00 22.33 H new ATOM 0 HA GLU A 31 -11.925 22.140 13.663 1.00 30.41 H new ATOM 0 HB2 GLU A 31 -12.379 23.300 11.546 1.00 42.23 H new ATOM 0 HB3 GLU A 31 -11.702 24.399 12.731 1.00 42.23 H new ATOM 0 HG2 GLU A 31 -9.595 24.471 11.642 1.00 4.21 H new ATOM 0 HG3 GLU A 31 -9.929 23.031 10.701 1.00 4.21 H new ATOM 403 N TYR A 32 -9.581 20.889 11.787 1.00 54.41 N ATOM 404 CA TYR A 32 -9.206 19.745 10.963 1.00 35.04 C ATOM 405 C TYR A 32 -9.224 18.457 11.781 1.00 51.30 C ATOM 406 O TYR A 32 -9.575 17.391 11.273 1.00 45.41 O ATOM 407 CB TYR A 32 -7.818 19.959 10.359 1.00 73.24 C ATOM 408 CG TYR A 32 -7.085 18.672 10.055 1.00 74.40 C ATOM 409 CD1 TYR A 32 -6.487 17.933 11.070 1.00 3.34 C ATOM 410 CD2 TYR A 32 -6.990 18.194 8.754 1.00 23.44 C ATOM 411 CE1 TYR A 32 -5.816 16.758 10.797 1.00 20.00 C ATOM 412 CE2 TYR A 32 -6.321 17.018 8.472 1.00 54.21 C ATOM 413 CZ TYR A 32 -5.737 16.303 9.496 1.00 34.34 C ATOM 414 OH TYR A 32 -5.069 15.132 9.220 1.00 32.34 O ATOM 0 H TYR A 32 -8.799 21.478 12.071 1.00 54.41 H new ATOM 0 HA TYR A 32 -9.935 19.654 10.158 1.00 35.04 H new ATOM 0 HB2 TYR A 32 -7.916 20.537 9.440 1.00 73.24 H new ATOM 0 HB3 TYR A 32 -7.219 20.554 11.048 1.00 73.24 H new ATOM 0 HD1 TYR A 32 -6.549 18.284 12.089 1.00 3.34 H new ATOM 0 HD2 TYR A 32 -7.447 18.751 7.949 1.00 23.44 H new ATOM 0 HE1 TYR A 32 -5.355 16.198 11.597 1.00 20.00 H new ATOM 0 HE2 TYR A 32 -6.256 16.661 7.455 1.00 54.21 H new ATOM 0 HH TYR A 32 -5.107 14.953 8.257 1.00 32.34 H new ATOM 423 N ILE A 33 -8.845 18.563 13.050 1.00 63.01 N ATOM 424 CA ILE A 33 -8.819 17.408 13.938 1.00 40.14 C ATOM 425 C ILE A 33 -10.140 17.258 14.684 1.00 2.43 C ATOM 426 O ILE A 33 -10.816 16.234 14.575 1.00 52.40 O ATOM 427 CB ILE A 33 -7.673 17.510 14.962 1.00 2.21 C ATOM 428 CG1 ILE A 33 -8.101 16.905 16.301 1.00 53.01 C ATOM 429 CG2 ILE A 33 -7.252 18.961 15.141 1.00 15.25 C ATOM 430 CD1 ILE A 33 -7.013 16.932 17.351 1.00 71.02 C ATOM 0 H ILE A 33 -8.552 19.437 13.486 1.00 63.01 H new ATOM 0 HA ILE A 33 -8.657 16.532 13.310 1.00 40.14 H new ATOM 0 HB ILE A 33 -6.818 16.947 14.587 1.00 2.21 H new ATOM 0 HG12 ILE A 33 -8.969 17.448 16.675 1.00 53.01 H new ATOM 0 HG13 ILE A 33 -8.415 15.873 16.141 1.00 53.01 H new ATOM 0 HG21 ILE A 33 -6.441 19.018 15.868 1.00 15.25 H new ATOM 0 HG22 ILE A 33 -6.912 19.362 14.186 1.00 15.25 H new ATOM 0 HG23 ILE A 33 -8.101 19.545 15.498 1.00 15.25 H new ATOM 0 HD11 ILE A 33 -7.387 16.488 18.274 1.00 71.02 H new ATOM 0 HD12 ILE A 33 -6.152 16.365 16.997 1.00 71.02 H new ATOM 0 HD13 ILE A 33 -6.715 17.963 17.540 1.00 71.02 H new ATOM 441 N THR A 34 -10.506 18.287 15.441 1.00 0.44 N ATOM 442 CA THR A 34 -11.747 18.272 16.205 1.00 51.42 C ATOM 443 C THR A 34 -12.853 17.548 15.443 1.00 23.54 C ATOM 444 O THR A 34 -13.556 16.706 16.001 1.00 72.40 O ATOM 445 CB THR A 34 -12.220 19.699 16.539 1.00 13.21 C ATOM 446 OG1 THR A 34 -13.548 19.663 17.075 1.00 24.24 O ATOM 447 CG2 THR A 34 -12.192 20.583 15.300 1.00 33.42 C ATOM 0 H THR A 34 -9.960 19.143 15.542 1.00 0.44 H new ATOM 0 HA THR A 34 -11.539 17.740 17.133 1.00 51.42 H new ATOM 0 HB THR A 34 -11.540 20.118 17.281 1.00 13.21 H new ATOM 0 HG1 THR A 34 -13.840 20.574 17.286 1.00 24.24 H new ATOM 0 HG21 THR A 34 -12.530 21.586 15.561 1.00 33.42 H new ATOM 0 HG22 THR A 34 -11.175 20.633 14.911 1.00 33.42 H new ATOM 0 HG23 THR A 34 -12.851 20.164 14.539 1.00 33.42 H new ATOM 455 N ASP A 35 -13.000 17.882 14.166 1.00 12.44 N ATOM 456 CA ASP A 35 -14.019 17.263 13.326 1.00 53.44 C ATOM 457 C ASP A 35 -13.758 15.768 13.168 1.00 71.25 C ATOM 458 O ASP A 35 -14.617 14.941 13.474 1.00 63.45 O ATOM 459 CB ASP A 35 -14.057 17.935 11.953 1.00 64.53 C ATOM 460 CG ASP A 35 -15.459 18.349 11.550 1.00 24.43 C ATOM 461 OD1 ASP A 35 -16.368 17.494 11.599 1.00 20.14 O ATOM 462 OD2 ASP A 35 -15.646 19.529 11.185 1.00 71.23 O ATOM 0 H ASP A 35 -12.427 18.578 13.689 1.00 12.44 H new ATOM 0 HA ASP A 35 -14.985 17.396 13.813 1.00 53.44 H new ATOM 0 HB2 ASP A 35 -13.411 18.813 11.963 1.00 64.53 H new ATOM 0 HB3 ASP A 35 -13.654 17.251 11.206 1.00 64.53 H new ATOM 466 N LYS A 36 -12.567 15.428 12.688 1.00 11.04 N ATOM 467 CA LYS A 36 -12.191 14.034 12.488 1.00 73.21 C ATOM 468 C LYS A 36 -12.228 13.267 13.807 1.00 40.32 C ATOM 469 O LYS A 36 -12.794 12.177 13.884 1.00 61.33 O ATOM 470 CB LYS A 36 -10.792 13.944 11.874 1.00 12.21 C ATOM 471 CG LYS A 36 -10.691 12.946 10.734 1.00 15.41 C ATOM 472 CD LYS A 36 -10.845 13.624 9.383 1.00 53.53 C ATOM 473 CE LYS A 36 -10.283 12.766 8.261 1.00 11.11 C ATOM 474 NZ LYS A 36 -10.807 11.373 8.312 1.00 41.35 N ATOM 0 H LYS A 36 -11.844 16.100 12.430 1.00 11.04 H new ATOM 0 HA LYS A 36 -12.911 13.584 11.804 1.00 73.21 H new ATOM 0 HB2 LYS A 36 -10.500 14.929 11.510 1.00 12.21 H new ATOM 0 HB3 LYS A 36 -10.080 13.668 12.652 1.00 12.21 H new ATOM 0 HG2 LYS A 36 -9.728 12.437 10.779 1.00 15.41 H new ATOM 0 HG3 LYS A 36 -11.460 12.182 10.849 1.00 15.41 H new ATOM 0 HD2 LYS A 36 -11.899 13.826 9.194 1.00 53.53 H new ATOM 0 HD3 LYS A 36 -10.333 14.586 9.397 1.00 53.53 H new ATOM 0 HE2 LYS A 36 -10.536 13.214 7.300 1.00 11.11 H new ATOM 0 HE3 LYS A 36 -9.195 12.747 8.328 1.00 11.11 H new ATOM 0 HZ1 LYS A 36 -10.597 10.890 7.415 1.00 41.35 H new ATOM 0 HZ2 LYS A 36 -10.354 10.860 9.095 1.00 41.35 H new ATOM 0 HZ3 LYS A 36 -11.836 11.394 8.461 1.00 41.35 H new ATOM 484 N ALA A 37 -11.624 13.844 14.840 1.00 12.21 N ATOM 485 CA ALA A 37 -11.593 13.215 16.155 1.00 42.21 C ATOM 486 C ALA A 37 -13.001 12.895 16.644 1.00 61.50 C ATOM 487 O ALA A 37 -13.280 11.774 17.072 1.00 2.43 O ATOM 488 CB ALA A 37 -10.878 14.115 17.152 1.00 71.35 C ATOM 0 H ALA A 37 -11.150 14.746 14.792 1.00 12.21 H new ATOM 0 HA ALA A 37 -11.045 12.277 16.069 1.00 42.21 H new ATOM 0 HB1 ALA A 37 -10.862 13.634 18.130 1.00 71.35 H new ATOM 0 HB2 ALA A 37 -9.856 14.290 16.816 1.00 71.35 H new ATOM 0 HB3 ALA A 37 -11.404 15.067 17.225 1.00 71.35 H new ATOM 494 N ASP A 38 -13.885 13.884 16.578 1.00 14.02 N ATOM 495 CA ASP A 38 -15.265 13.707 17.015 1.00 1.00 C ATOM 496 C ASP A 38 -15.872 12.450 16.398 1.00 13.24 C ATOM 497 O ASP A 38 -16.830 11.886 16.928 1.00 0.24 O ATOM 498 CB ASP A 38 -16.102 14.931 16.640 1.00 43.22 C ATOM 499 CG ASP A 38 -17.361 15.050 17.476 1.00 2.30 C ATOM 500 OD1 ASP A 38 -17.612 14.147 18.302 1.00 54.23 O ATOM 501 OD2 ASP A 38 -18.094 16.046 17.306 1.00 43.15 O ATOM 0 H ASP A 38 -13.671 14.817 16.226 1.00 14.02 H new ATOM 0 HA ASP A 38 -15.267 13.595 18.099 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -15.500 15.831 16.765 1.00 43.22 H new ATOM 0 HB3 ASP A 38 -16.373 14.873 15.586 1.00 43.22 H new ATOM 505 N LYS A 39 -15.310 12.018 15.275 1.00 11.23 N ATOM 506 CA LYS A 39 -15.796 10.828 14.585 1.00 23.33 C ATOM 507 C LYS A 39 -14.990 9.598 14.989 1.00 35.12 C ATOM 508 O LYS A 39 -15.543 8.514 15.173 1.00 32.22 O ATOM 509 CB LYS A 39 -15.718 11.026 13.070 1.00 42.11 C ATOM 510 CG LYS A 39 -16.707 10.173 12.294 1.00 63.30 C ATOM 511 CD LYS A 39 -16.279 10.002 10.845 1.00 53.43 C ATOM 512 CE LYS A 39 -17.408 9.442 9.994 1.00 53.02 C ATOM 513 NZ LYS A 39 -17.688 8.014 10.314 1.00 3.50 N ATOM 0 H LYS A 39 -14.517 12.474 14.823 1.00 11.23 H new ATOM 0 HA LYS A 39 -16.835 10.670 14.872 1.00 23.33 H new ATOM 0 HB2 LYS A 39 -15.897 12.076 12.839 1.00 42.11 H new ATOM 0 HB3 LYS A 39 -14.708 10.794 12.733 1.00 42.11 H new ATOM 0 HG2 LYS A 39 -16.794 9.195 12.767 1.00 63.30 H new ATOM 0 HG3 LYS A 39 -17.694 10.634 12.331 1.00 63.30 H new ATOM 0 HD2 LYS A 39 -15.961 10.964 10.442 1.00 53.43 H new ATOM 0 HD3 LYS A 39 -15.418 9.335 10.795 1.00 53.43 H new ATOM 0 HE2 LYS A 39 -18.310 10.033 10.152 1.00 53.02 H new ATOM 0 HE3 LYS A 39 -17.148 9.534 8.939 1.00 53.02 H new ATOM 0 HZ1 LYS A 39 -18.464 7.669 9.713 1.00 3.50 H new ATOM 0 HZ2 LYS A 39 -16.835 7.445 10.139 1.00 3.50 H new ATOM 0 HZ3 LYS A 39 -17.961 7.929 11.314 1.00 3.50 H new ATOM 523 N VAL A 40 -13.679 9.774 15.129 1.00 41.34 N ATOM 524 CA VAL A 40 -12.798 8.678 15.515 1.00 53.32 C ATOM 525 C VAL A 40 -13.159 8.143 16.895 1.00 54.13 C ATOM 526 O VAL A 40 -12.595 7.150 17.355 1.00 12.15 O ATOM 527 CB VAL A 40 -11.322 9.119 15.518 1.00 4.21 C ATOM 528 CG1 VAL A 40 -11.028 10.007 14.318 1.00 4.41 C ATOM 529 CG2 VAL A 40 -10.983 9.835 16.816 1.00 62.13 C ATOM 0 H VAL A 40 -13.204 10.665 14.981 1.00 41.34 H new ATOM 0 HA VAL A 40 -12.933 7.888 14.776 1.00 53.32 H new ATOM 0 HB VAL A 40 -10.695 8.230 15.445 1.00 4.21 H new ATOM 0 HG11 VAL A 40 -9.981 10.309 14.337 1.00 4.41 H new ATOM 0 HG12 VAL A 40 -11.231 9.456 13.399 1.00 4.41 H new ATOM 0 HG13 VAL A 40 -11.662 10.893 14.357 1.00 4.41 H new ATOM 0 HG21 VAL A 40 -9.937 10.140 16.801 1.00 62.13 H new ATOM 0 HG22 VAL A 40 -11.616 10.716 16.921 1.00 62.13 H new ATOM 0 HG23 VAL A 40 -11.153 9.163 17.657 1.00 62.13 H new ATOM 539 N ALA A 41 -14.104 8.807 17.553 1.00 60.25 N ATOM 540 CA ALA A 41 -14.544 8.396 18.881 1.00 20.32 C ATOM 541 C ALA A 41 -15.828 7.578 18.806 1.00 14.43 C ATOM 542 O ALA A 41 -16.249 6.973 19.791 1.00 33.20 O ATOM 543 CB ALA A 41 -14.740 9.614 19.771 1.00 74.24 C ATOM 0 H ALA A 41 -14.580 9.632 17.188 1.00 60.25 H new ATOM 0 HA ALA A 41 -13.769 7.764 19.315 1.00 20.32 H new ATOM 0 HB1 ALA A 41 -15.069 9.293 20.760 1.00 74.24 H new ATOM 0 HB2 ALA A 41 -13.798 10.155 19.860 1.00 74.24 H new ATOM 0 HB3 ALA A 41 -15.494 10.268 19.332 1.00 74.24 H new ATOM 549 N GLY A 42 -16.450 7.567 17.631 1.00 3.04 N ATOM 550 CA GLY A 42 -17.681 6.822 17.449 1.00 54.23 C ATOM 551 C GLY A 42 -17.443 5.435 16.886 1.00 41.43 C ATOM 552 O GLY A 42 -18.366 4.625 16.798 1.00 32.32 O ATOM 0 H GLY A 42 -16.122 8.062 16.801 1.00 3.04 H new ATOM 0 HA2 GLY A 42 -18.196 6.739 18.406 1.00 54.23 H new ATOM 0 HA3 GLY A 42 -18.340 7.374 16.779 1.00 54.23 H new ATOM 555 N LYS A 43 -16.201 5.160 16.501 1.00 44.21 N ATOM 556 CA LYS A 43 -15.843 3.862 15.942 1.00 0.21 C ATOM 557 C LYS A 43 -14.700 3.229 16.728 1.00 63.14 C ATOM 558 O LYS A 43 -14.653 2.011 16.904 1.00 10.53 O ATOM 559 CB LYS A 43 -15.445 4.010 14.472 1.00 63.25 C ATOM 560 CG LYS A 43 -13.944 3.997 14.243 1.00 72.35 C ATOM 561 CD LYS A 43 -13.349 5.389 14.365 1.00 13.04 C ATOM 562 CE LYS A 43 -13.580 6.207 13.104 1.00 2.30 C ATOM 563 NZ LYS A 43 -12.305 6.731 12.541 1.00 52.43 N ATOM 0 H LYS A 43 -15.425 5.819 16.566 1.00 44.21 H new ATOM 0 HA LYS A 43 -16.714 3.210 16.012 1.00 0.21 H new ATOM 0 HB2 LYS A 43 -15.898 3.201 13.899 1.00 63.25 H new ATOM 0 HB3 LYS A 43 -15.855 4.943 14.086 1.00 63.25 H new ATOM 0 HG2 LYS A 43 -13.470 3.333 14.967 1.00 72.35 H new ATOM 0 HG3 LYS A 43 -13.730 3.594 13.253 1.00 72.35 H new ATOM 0 HD2 LYS A 43 -13.792 5.902 15.219 1.00 13.04 H new ATOM 0 HD3 LYS A 43 -12.279 5.313 14.559 1.00 13.04 H new ATOM 0 HE2 LYS A 43 -14.080 5.590 12.357 1.00 2.30 H new ATOM 0 HE3 LYS A 43 -14.247 7.039 13.328 1.00 2.30 H new ATOM 0 HZ1 LYS A 43 -12.496 7.595 11.994 1.00 52.43 H new ATOM 0 HZ2 LYS A 43 -11.647 6.950 13.316 1.00 52.43 H new ATOM 0 HZ3 LYS A 43 -11.880 6.014 11.919 1.00 52.43 H new ATOM 573 N VAL A 44 -13.778 4.063 17.200 1.00 55.42 N ATOM 574 CA VAL A 44 -12.636 3.584 17.969 1.00 12.25 C ATOM 575 C VAL A 44 -13.007 2.360 18.799 1.00 44.13 C ATOM 576 O VAL A 44 -12.301 1.350 18.781 1.00 14.45 O ATOM 577 CB VAL A 44 -12.092 4.679 18.906 1.00 14.53 C ATOM 578 CG1 VAL A 44 -13.235 5.420 19.583 1.00 51.13 C ATOM 579 CG2 VAL A 44 -11.151 4.077 19.939 1.00 42.02 C ATOM 0 H VAL A 44 -13.800 5.074 17.063 1.00 55.42 H new ATOM 0 HA VAL A 44 -11.862 3.312 17.251 1.00 12.25 H new ATOM 0 HB VAL A 44 -11.529 5.396 18.309 1.00 14.53 H new ATOM 0 HG11 VAL A 44 -12.831 6.189 20.241 1.00 51.13 H new ATOM 0 HG12 VAL A 44 -13.866 5.885 18.826 1.00 51.13 H new ATOM 0 HG13 VAL A 44 -13.828 4.717 20.168 1.00 51.13 H new ATOM 0 HG21 VAL A 44 -10.776 4.865 20.592 1.00 42.02 H new ATOM 0 HG22 VAL A 44 -11.688 3.338 20.533 1.00 42.02 H new ATOM 0 HG23 VAL A 44 -10.314 3.597 19.432 1.00 42.02 H new ATOM 589 N GLN A 45 -14.117 2.455 19.522 1.00 33.32 N ATOM 590 CA GLN A 45 -14.581 1.354 20.358 1.00 13.00 C ATOM 591 C GLN A 45 -14.894 0.123 19.513 1.00 13.24 C ATOM 592 O GLN A 45 -15.844 0.104 18.730 1.00 22.24 O ATOM 593 CB GLN A 45 -15.821 1.774 21.149 1.00 52.23 C ATOM 594 CG GLN A 45 -15.711 3.160 21.763 1.00 54.41 C ATOM 595 CD GLN A 45 -16.657 3.358 22.930 1.00 55.33 C ATOM 596 OE1 GLN A 45 -16.252 3.803 24.005 1.00 53.21 O ATOM 597 NE2 GLN A 45 -17.928 3.028 22.726 1.00 2.11 N ATOM 0 H GLN A 45 -14.712 3.283 19.546 1.00 33.32 H new ATOM 0 HA GLN A 45 -13.783 1.099 21.056 1.00 13.00 H new ATOM 0 HB2 GLN A 45 -16.689 1.746 20.490 1.00 52.23 H new ATOM 0 HB3 GLN A 45 -15.999 1.048 21.942 1.00 52.23 H new ATOM 0 HG2 GLN A 45 -14.687 3.324 22.098 1.00 54.41 H new ATOM 0 HG3 GLN A 45 -15.920 3.909 20.999 1.00 54.41 H new ATOM 0 HE21 GLN A 45 -18.221 2.663 21.820 1.00 2.11 H new ATOM 0 HE22 GLN A 45 -18.611 3.140 23.476 1.00 2.11 H new ATOM 604 N PRO A 46 -14.078 -0.928 19.674 1.00 73.41 N ATOM 605 CA PRO A 46 -14.247 -2.182 18.934 1.00 52.52 C ATOM 606 C PRO A 46 -15.488 -2.953 19.377 1.00 24.54 C ATOM 607 O PRO A 46 -15.970 -3.832 18.664 1.00 23.52 O ATOM 608 CB PRO A 46 -12.980 -2.970 19.275 1.00 45.21 C ATOM 609 CG PRO A 46 -12.539 -2.427 20.591 1.00 61.32 C ATOM 610 CD PRO A 46 -12.926 -0.975 20.590 1.00 13.00 C ATOM 0 HA PRO A 46 -14.384 -2.010 17.866 1.00 52.52 H new ATOM 0 HB2 PRO A 46 -13.183 -4.039 19.336 1.00 45.21 H new ATOM 0 HB3 PRO A 46 -12.212 -2.834 18.513 1.00 45.21 H new ATOM 0 HG2 PRO A 46 -13.019 -2.958 21.413 1.00 61.32 H new ATOM 0 HG3 PRO A 46 -11.463 -2.544 20.721 1.00 61.32 H new ATOM 0 HD2 PRO A 46 -13.193 -0.630 21.589 1.00 13.00 H new ATOM 0 HD3 PRO A 46 -12.110 -0.342 20.242 1.00 13.00 H new ATOM 615 N GLU A 47 -15.998 -2.615 20.557 1.00 44.55 N ATOM 616 CA GLU A 47 -17.183 -3.276 21.092 1.00 0.40 C ATOM 617 C GLU A 47 -18.454 -2.559 20.648 1.00 3.40 C ATOM 618 O GLU A 47 -19.564 -2.974 20.986 1.00 44.40 O ATOM 619 CB GLU A 47 -17.119 -3.325 22.621 1.00 3.11 C ATOM 620 CG GLU A 47 -15.882 -4.026 23.156 1.00 31.11 C ATOM 621 CD GLU A 47 -16.106 -4.641 24.524 1.00 53.12 C ATOM 622 OE1 GLU A 47 -16.992 -4.151 25.255 1.00 14.32 O ATOM 623 OE2 GLU A 47 -15.397 -5.611 24.863 1.00 64.21 O ATOM 0 H GLU A 47 -15.610 -1.889 21.160 1.00 44.55 H new ATOM 0 HA GLU A 47 -17.207 -4.294 20.703 1.00 0.40 H new ATOM 0 HB2 GLU A 47 -17.146 -2.307 23.010 1.00 3.11 H new ATOM 0 HB3 GLU A 47 -18.006 -3.834 22.997 1.00 3.11 H new ATOM 0 HG2 GLU A 47 -15.579 -4.805 22.457 1.00 31.11 H new ATOM 0 HG3 GLU A 47 -15.060 -3.312 23.213 1.00 31.11 H new ATOM 628 N ASP A 48 -18.285 -1.482 19.890 1.00 2.10 N ATOM 629 CA ASP A 48 -19.417 -0.707 19.398 1.00 13.30 C ATOM 630 C ASP A 48 -19.888 -1.230 18.045 1.00 50.30 C ATOM 631 O ASP A 48 -20.632 -0.558 17.332 1.00 12.53 O ATOM 632 CB ASP A 48 -19.041 0.771 19.284 1.00 24.20 C ATOM 633 CG ASP A 48 -20.250 1.664 19.084 1.00 54.44 C ATOM 634 OD1 ASP A 48 -21.104 1.718 19.994 1.00 11.11 O ATOM 635 OD2 ASP A 48 -20.342 2.308 18.019 1.00 52.03 O ATOM 0 H ASP A 48 -17.374 -1.125 19.603 1.00 2.10 H new ATOM 0 HA ASP A 48 -20.234 -0.812 20.112 1.00 13.30 H new ATOM 0 HB2 ASP A 48 -18.511 1.078 20.186 1.00 24.20 H new ATOM 0 HB3 ASP A 48 -18.353 0.904 18.449 1.00 24.20 H new ATOM 639 N ASN A 49 -19.448 -2.435 17.696 1.00 65.20 N ATOM 640 CA ASN A 49 -19.822 -3.048 16.427 1.00 60.30 C ATOM 641 C ASN A 49 -21.030 -3.963 16.600 1.00 34.03 C ATOM 642 O ASN A 49 -21.703 -4.312 15.630 1.00 55.05 O ATOM 643 CB ASN A 49 -18.646 -3.841 15.853 1.00 22.21 C ATOM 644 CG ASN A 49 -18.993 -4.523 14.544 1.00 73.21 C ATOM 645 OD1 ASN A 49 -19.295 -3.865 13.549 1.00 21.32 O ATOM 646 ND2 ASN A 49 -18.951 -5.850 14.540 1.00 65.32 N ATOM 0 H ASN A 49 -18.832 -3.006 18.275 1.00 65.20 H new ATOM 0 HA ASN A 49 -20.088 -2.251 15.732 1.00 60.30 H new ATOM 0 HB2 ASN A 49 -17.801 -3.171 15.697 1.00 22.21 H new ATOM 0 HB3 ASN A 49 -18.329 -4.591 16.578 1.00 22.21 H new ATOM 0 HD21 ASN A 49 -19.174 -6.365 13.688 1.00 65.32 H new ATOM 0 HD22 ASN A 49 -18.695 -6.355 15.389 1.00 65.32 H new ATOM 652 N LYS A 50 -21.300 -4.347 17.843 1.00 15.31 N ATOM 653 CA LYS A 50 -22.428 -5.220 18.147 1.00 52.11 C ATOM 654 C LYS A 50 -23.680 -4.404 18.457 1.00 72.34 C ATOM 655 O LYS A 50 -24.794 -4.924 18.429 1.00 1.50 O ATOM 656 CB LYS A 50 -22.093 -6.129 19.331 1.00 50.10 C ATOM 657 CG LYS A 50 -23.159 -7.172 19.620 1.00 0.31 C ATOM 658 CD LYS A 50 -23.837 -6.922 20.956 1.00 10.14 C ATOM 659 CE LYS A 50 -24.257 -8.223 21.620 1.00 34.13 C ATOM 660 NZ LYS A 50 -25.098 -9.059 20.720 1.00 42.55 N ATOM 0 H LYS A 50 -20.753 -4.067 18.657 1.00 15.31 H new ATOM 0 HA LYS A 50 -22.625 -5.836 17.269 1.00 52.11 H new ATOM 0 HB2 LYS A 50 -21.147 -6.634 19.134 1.00 50.10 H new ATOM 0 HB3 LYS A 50 -21.948 -5.515 20.220 1.00 50.10 H new ATOM 0 HG2 LYS A 50 -23.905 -7.161 18.825 1.00 0.31 H new ATOM 0 HG3 LYS A 50 -22.708 -8.164 19.620 1.00 0.31 H new ATOM 0 HD2 LYS A 50 -23.158 -6.379 21.614 1.00 10.14 H new ATOM 0 HD3 LYS A 50 -24.712 -6.289 20.808 1.00 10.14 H new ATOM 0 HE2 LYS A 50 -23.370 -8.784 21.913 1.00 34.13 H new ATOM 0 HE3 LYS A 50 -24.810 -8.003 22.533 1.00 34.13 H new ATOM 0 HZ1 LYS A 50 -25.503 -9.851 21.259 1.00 42.55 H new ATOM 0 HZ2 LYS A 50 -25.867 -8.480 20.326 1.00 42.55 H new ATOM 0 HZ3 LYS A 50 -24.513 -9.431 19.945 1.00 42.55 H new ATOM 670 N GLY A 51 -23.487 -3.122 18.752 1.00 64.24 N ATOM 671 CA GLY A 51 -24.609 -2.255 19.061 1.00 74.34 C ATOM 672 C GLY A 51 -25.355 -1.808 17.820 1.00 14.44 C ATOM 673 O GLY A 51 -26.560 -1.557 17.868 1.00 11.32 O ATOM 0 H GLY A 51 -22.574 -2.669 18.782 1.00 64.24 H new ATOM 0 HA2 GLY A 51 -25.296 -2.778 19.726 1.00 74.34 H new ATOM 0 HA3 GLY A 51 -24.249 -1.379 19.600 1.00 74.34 H new ATOM 676 N VAL A 52 -24.639 -1.705 16.705 1.00 4.23 N ATOM 677 CA VAL A 52 -25.241 -1.284 15.446 1.00 50.31 C ATOM 678 C VAL A 52 -26.263 -2.305 14.957 1.00 3.14 C ATOM 679 O VAL A 52 -27.312 -1.943 14.424 1.00 30.24 O ATOM 680 CB VAL A 52 -24.174 -1.079 14.354 1.00 12.35 C ATOM 681 CG1 VAL A 52 -23.127 -0.075 14.814 1.00 41.25 C ATOM 682 CG2 VAL A 52 -23.528 -2.405 13.986 1.00 61.43 C ATOM 0 H VAL A 52 -23.641 -1.907 16.648 1.00 4.23 H new ATOM 0 HA VAL A 52 -25.742 -0.335 15.637 1.00 50.31 H new ATOM 0 HB VAL A 52 -24.660 -0.679 13.464 1.00 12.35 H new ATOM 0 HG11 VAL A 52 -22.381 0.058 14.030 1.00 41.25 H new ATOM 0 HG12 VAL A 52 -23.607 0.881 15.024 1.00 41.25 H new ATOM 0 HG13 VAL A 52 -22.642 -0.443 15.718 1.00 41.25 H new ATOM 0 HG21 VAL A 52 -22.777 -2.242 13.213 1.00 61.43 H new ATOM 0 HG22 VAL A 52 -23.054 -2.836 14.868 1.00 61.43 H new ATOM 0 HG23 VAL A 52 -24.290 -3.090 13.613 1.00 61.43 H new ATOM 692 N PHE A 53 -25.950 -3.583 15.142 1.00 3.12 N ATOM 693 CA PHE A 53 -26.840 -4.657 14.719 1.00 21.21 C ATOM 694 C PHE A 53 -27.903 -4.931 15.778 1.00 53.55 C ATOM 695 O PHE A 53 -28.818 -5.725 15.562 1.00 51.14 O ATOM 696 CB PHE A 53 -26.040 -5.932 14.441 1.00 32.14 C ATOM 697 CG PHE A 53 -25.193 -5.850 13.203 1.00 72.14 C ATOM 698 CD1 PHE A 53 -25.738 -6.115 11.957 1.00 3.11 C ATOM 699 CD2 PHE A 53 -23.853 -5.508 13.286 1.00 50.31 C ATOM 700 CE1 PHE A 53 -24.960 -6.041 10.817 1.00 61.13 C ATOM 701 CE2 PHE A 53 -23.071 -5.433 12.149 1.00 64.12 C ATOM 702 CZ PHE A 53 -23.626 -5.699 10.913 1.00 63.21 C ATOM 0 H PHE A 53 -25.086 -3.900 15.582 1.00 3.12 H new ATOM 0 HA PHE A 53 -27.338 -4.342 13.802 1.00 21.21 H new ATOM 0 HB2 PHE A 53 -25.399 -6.143 15.297 1.00 32.14 H new ATOM 0 HB3 PHE A 53 -26.730 -6.771 14.345 1.00 32.14 H new ATOM 0 HD1 PHE A 53 -26.781 -6.382 11.876 1.00 3.11 H new ATOM 0 HD2 PHE A 53 -23.415 -5.298 14.250 1.00 50.31 H new ATOM 0 HE1 PHE A 53 -25.396 -6.251 9.851 1.00 61.13 H new ATOM 0 HE2 PHE A 53 -22.027 -5.167 12.227 1.00 64.12 H new ATOM 0 HZ PHE A 53 -23.017 -5.640 10.023 1.00 63.21 H new ATOM 711 N GLN A 54 -27.774 -4.268 16.923 1.00 71.11 N ATOM 712 CA GLN A 54 -28.722 -4.441 18.017 1.00 52.12 C ATOM 713 C GLN A 54 -30.136 -4.082 17.573 1.00 12.11 C ATOM 714 O GLN A 54 -31.117 -4.554 18.147 1.00 63.32 O ATOM 715 CB GLN A 54 -28.316 -3.579 19.214 1.00 63.10 C ATOM 716 CG GLN A 54 -28.727 -4.166 20.554 1.00 63.34 C ATOM 717 CD GLN A 54 -29.036 -3.101 21.588 1.00 70.24 C ATOM 718 OE1 GLN A 54 -28.839 -1.911 21.347 1.00 31.33 O ATOM 719 NE2 GLN A 54 -29.525 -3.526 22.747 1.00 32.03 N ATOM 0 H GLN A 54 -27.022 -3.606 17.117 1.00 71.11 H new ATOM 0 HA GLN A 54 -28.709 -5.490 18.313 1.00 52.12 H new ATOM 0 HB2 GLN A 54 -27.235 -3.443 19.203 1.00 63.10 H new ATOM 0 HB3 GLN A 54 -28.763 -2.591 19.107 1.00 63.10 H new ATOM 0 HG2 GLN A 54 -29.604 -4.798 20.416 1.00 63.34 H new ATOM 0 HG3 GLN A 54 -27.928 -4.807 20.926 1.00 63.34 H new ATOM 0 HE21 GLN A 54 -29.672 -4.523 22.903 1.00 32.03 H new ATOM 0 HE22 GLN A 54 -29.753 -2.855 23.481 1.00 32.03 H new ATOM 726 N GLY A 55 -30.235 -3.243 16.546 1.00 22.32 N ATOM 727 CA GLY A 55 -31.533 -2.835 16.043 1.00 10.04 C ATOM 728 C GLY A 55 -32.037 -3.741 14.939 1.00 45.52 C ATOM 729 O GLY A 55 -33.183 -4.193 14.970 1.00 31.24 O ATOM 0 H GLY A 55 -29.439 -2.839 16.053 1.00 22.32 H new ATOM 0 HA2 GLY A 55 -32.252 -2.831 16.862 1.00 10.04 H new ATOM 0 HA3 GLY A 55 -31.470 -1.813 15.670 1.00 10.04 H new ATOM 732 N VAL A 56 -31.183 -4.007 13.956 1.00 63.14 N ATOM 733 CA VAL A 56 -31.549 -4.865 12.835 1.00 72.40 C ATOM 734 C VAL A 56 -31.790 -6.298 13.296 1.00 50.30 C ATOM 735 O VAL A 56 -32.678 -6.983 12.787 1.00 61.13 O ATOM 736 CB VAL A 56 -30.457 -4.865 11.748 1.00 40.25 C ATOM 737 CG1 VAL A 56 -30.281 -3.470 11.168 1.00 53.53 C ATOM 738 CG2 VAL A 56 -29.143 -5.386 12.312 1.00 54.31 C ATOM 0 H VAL A 56 -30.232 -3.640 13.913 1.00 63.14 H new ATOM 0 HA VAL A 56 -32.470 -4.461 12.415 1.00 72.40 H new ATOM 0 HB VAL A 56 -30.770 -5.531 10.944 1.00 40.25 H new ATOM 0 HG11 VAL A 56 -29.506 -3.490 10.402 1.00 53.53 H new ATOM 0 HG12 VAL A 56 -31.220 -3.139 10.725 1.00 53.53 H new ATOM 0 HG13 VAL A 56 -29.991 -2.780 11.961 1.00 53.53 H new ATOM 0 HG21 VAL A 56 -28.383 -5.379 11.530 1.00 54.31 H new ATOM 0 HG22 VAL A 56 -28.822 -4.748 13.136 1.00 54.31 H new ATOM 0 HG23 VAL A 56 -29.281 -6.405 12.675 1.00 54.31 H new ATOM 748 N HIS A 57 -30.996 -6.745 14.264 1.00 70.11 N ATOM 749 CA HIS A 57 -31.125 -8.097 14.795 1.00 11.34 C ATOM 750 C HIS A 57 -32.577 -8.406 15.148 1.00 64.14 C ATOM 751 O HIS A 57 -33.172 -9.338 14.607 1.00 74.32 O ATOM 752 CB HIS A 57 -30.240 -8.268 16.030 1.00 75.14 C ATOM 753 CG HIS A 57 -28.836 -8.681 15.709 1.00 44.32 C ATOM 754 ND1 HIS A 57 -27.762 -8.395 16.525 1.00 43.30 N ATOM 755 CD2 HIS A 57 -28.334 -9.363 14.653 1.00 25.44 C ATOM 756 CE1 HIS A 57 -26.659 -8.881 15.984 1.00 55.12 C ATOM 757 NE2 HIS A 57 -26.979 -9.473 14.848 1.00 71.45 N ATOM 0 H HIS A 57 -30.257 -6.191 14.696 1.00 70.11 H new ATOM 0 HA HIS A 57 -30.801 -8.796 14.025 1.00 11.34 H new ATOM 0 HB2 HIS A 57 -30.216 -7.329 16.583 1.00 75.14 H new ATOM 0 HB3 HIS A 57 -30.688 -9.013 16.687 1.00 75.14 H new ATOM 0 HD2 HIS A 57 -28.894 -9.749 13.814 1.00 25.44 H new ATOM 0 HE1 HIS A 57 -25.665 -8.807 16.400 1.00 55.12 H new ATOM 0 HE2 HIS A 57 -26.325 -9.937 14.217 1.00 71.45 H new ATOM 764 N ASP A 58 -33.140 -7.619 16.058 1.00 24.31 N ATOM 765 CA ASP A 58 -34.522 -7.808 16.483 1.00 62.33 C ATOM 766 C ASP A 58 -35.485 -7.545 15.331 1.00 41.23 C ATOM 767 O ASP A 58 -36.653 -7.927 15.386 1.00 54.54 O ATOM 768 CB ASP A 58 -34.847 -6.884 17.658 1.00 63.15 C ATOM 769 CG ASP A 58 -35.845 -7.500 18.619 1.00 55.33 C ATOM 770 OD1 ASP A 58 -37.062 -7.302 18.420 1.00 43.52 O ATOM 771 OD2 ASP A 58 -35.409 -8.182 19.570 1.00 32.11 O ATOM 0 H ASP A 58 -32.660 -6.844 16.516 1.00 24.31 H new ATOM 0 HA ASP A 58 -34.640 -8.844 16.802 1.00 62.33 H new ATOM 0 HB2 ASP A 58 -33.929 -6.647 18.195 1.00 63.15 H new ATOM 0 HB3 ASP A 58 -35.246 -5.944 17.278 1.00 63.15 H new ATOM 775 N SER A 59 -34.988 -6.888 14.288 1.00 61.42 N ATOM 776 CA SER A 59 -35.806 -6.569 13.123 1.00 72.24 C ATOM 777 C SER A 59 -35.853 -7.746 12.154 1.00 61.11 C ATOM 778 O SER A 59 -36.794 -7.883 11.373 1.00 53.35 O ATOM 779 CB SER A 59 -35.258 -5.330 12.413 1.00 51.20 C ATOM 780 OG SER A 59 -36.210 -4.800 11.506 1.00 30.40 O ATOM 0 H SER A 59 -34.022 -6.566 14.226 1.00 61.42 H new ATOM 0 HA SER A 59 -36.820 -6.363 13.466 1.00 72.24 H new ATOM 0 HB2 SER A 59 -34.992 -4.572 13.150 1.00 51.20 H new ATOM 0 HB3 SER A 59 -34.345 -5.588 11.877 1.00 51.20 H new ATOM 0 HG SER A 59 -35.837 -4.008 11.066 1.00 30.40 H new ATOM 785 N ALA A 60 -34.830 -8.592 12.210 1.00 32.10 N ATOM 786 CA ALA A 60 -34.754 -9.759 11.339 1.00 45.22 C ATOM 787 C ALA A 60 -35.432 -10.966 11.978 1.00 33.33 C ATOM 788 O ALA A 60 -35.317 -12.087 11.483 1.00 34.12 O ATOM 789 CB ALA A 60 -33.304 -10.078 11.008 1.00 31.44 C ATOM 0 H ALA A 60 -34.042 -8.491 12.850 1.00 32.10 H new ATOM 0 HA ALA A 60 -35.282 -9.526 10.414 1.00 45.22 H new ATOM 0 HB1 ALA A 60 -33.263 -10.951 10.357 1.00 31.44 H new ATOM 0 HB2 ALA A 60 -32.851 -9.226 10.501 1.00 31.44 H new ATOM 0 HB3 ALA A 60 -32.758 -10.285 11.928 1.00 31.44 H new ATOM 795 N GLU A 61 -36.137 -10.729 13.080 1.00 31.34 N ATOM 796 CA GLU A 61 -36.831 -11.799 13.786 1.00 34.32 C ATOM 797 C GLU A 61 -37.693 -12.615 12.828 1.00 14.30 C ATOM 798 O GLU A 61 -37.842 -13.826 12.987 1.00 43.44 O ATOM 799 CB GLU A 61 -37.700 -11.221 14.905 1.00 35.34 C ATOM 800 CG GLU A 61 -38.614 -12.245 15.558 1.00 62.10 C ATOM 801 CD GLU A 61 -38.573 -12.182 17.072 1.00 43.23 C ATOM 802 OE1 GLU A 61 -37.467 -12.034 17.630 1.00 63.43 O ATOM 803 OE2 GLU A 61 -39.649 -12.282 17.699 1.00 52.22 O ATOM 0 H GLU A 61 -36.242 -9.807 13.502 1.00 31.34 H new ATOM 0 HA GLU A 61 -36.080 -12.458 14.222 1.00 34.32 H new ATOM 0 HB2 GLU A 61 -37.054 -10.785 15.667 1.00 35.34 H new ATOM 0 HB3 GLU A 61 -38.307 -10.411 14.500 1.00 35.34 H new ATOM 0 HG2 GLU A 61 -39.637 -12.082 15.219 1.00 62.10 H new ATOM 0 HG3 GLU A 61 -38.326 -13.244 15.232 1.00 62.10 H new ATOM 808 N LYS A 62 -38.259 -11.942 11.832 1.00 13.35 N ATOM 809 CA LYS A 62 -39.106 -12.601 10.846 1.00 72.15 C ATOM 810 C LYS A 62 -38.266 -13.394 9.850 1.00 11.42 C ATOM 811 O LYS A 62 -38.688 -14.442 9.363 1.00 34.13 O ATOM 812 CB LYS A 62 -39.958 -11.570 10.104 1.00 1.41 C ATOM 813 CG LYS A 62 -40.747 -12.154 8.943 1.00 33.23 C ATOM 814 CD LYS A 62 -42.092 -11.466 8.781 1.00 73.21 C ATOM 815 CE LYS A 62 -41.931 -10.024 8.328 1.00 25.54 C ATOM 816 NZ LYS A 62 -43.152 -9.217 8.599 1.00 51.11 N ATOM 0 H LYS A 62 -38.146 -10.939 11.687 1.00 13.35 H new ATOM 0 HA LYS A 62 -39.762 -13.293 11.373 1.00 72.15 H new ATOM 0 HB2 LYS A 62 -40.651 -11.109 10.808 1.00 1.41 H new ATOM 0 HB3 LYS A 62 -39.310 -10.777 9.730 1.00 1.41 H new ATOM 0 HG2 LYS A 62 -40.172 -12.052 8.023 1.00 33.23 H new ATOM 0 HG3 LYS A 62 -40.900 -13.221 9.106 1.00 33.23 H new ATOM 0 HD2 LYS A 62 -42.695 -12.011 8.055 1.00 73.21 H new ATOM 0 HD3 LYS A 62 -42.632 -11.493 9.728 1.00 73.21 H new ATOM 0 HE2 LYS A 62 -41.079 -9.576 8.839 1.00 25.54 H new ATOM 0 HE3 LYS A 62 -41.710 -10.001 7.261 1.00 25.54 H new ATOM 0 HZ1 LYS A 62 -43.001 -8.240 8.275 1.00 51.11 H new ATOM 0 HZ2 LYS A 62 -43.960 -9.629 8.091 1.00 51.11 H new ATOM 0 HZ3 LYS A 62 -43.349 -9.217 9.620 1.00 51.11 H new ATOM 826 N GLY A 63 -37.073 -12.886 9.552 1.00 54.50 N ATOM 827 CA GLY A 63 -36.193 -13.561 8.617 1.00 22.12 C ATOM 828 C GLY A 63 -35.157 -14.422 9.313 1.00 31.05 C ATOM 829 O GLY A 63 -34.197 -14.877 8.692 1.00 45.14 O ATOM 0 H GLY A 63 -36.701 -12.020 9.942 1.00 54.50 H new ATOM 0 HA2 GLY A 63 -36.787 -14.183 7.948 1.00 22.12 H new ATOM 0 HA3 GLY A 63 -35.688 -12.819 7.998 1.00 22.12 H new ATOM 832 N LYS A 64 -35.350 -14.644 10.609 1.00 74.41 N ATOM 833 CA LYS A 64 -34.426 -15.456 11.392 1.00 75.04 C ATOM 834 C LYS A 64 -35.115 -16.712 11.918 1.00 2.20 C ATOM 835 O LYS A 64 -34.459 -17.636 12.398 1.00 3.44 O ATOM 836 CB LYS A 64 -33.865 -14.642 12.561 1.00 61.01 C ATOM 837 CG LYS A 64 -34.713 -14.722 13.819 1.00 32.51 C ATOM 838 CD LYS A 64 -34.078 -13.955 14.968 1.00 53.52 C ATOM 839 CE LYS A 64 -34.650 -14.387 16.310 1.00 42.22 C ATOM 840 NZ LYS A 64 -36.139 -14.351 16.316 1.00 24.32 N ATOM 0 H LYS A 64 -36.138 -14.273 11.139 1.00 74.41 H new ATOM 0 HA LYS A 64 -33.606 -15.759 10.740 1.00 75.04 H new ATOM 0 HB2 LYS A 64 -32.859 -14.994 12.788 1.00 61.01 H new ATOM 0 HB3 LYS A 64 -33.777 -13.599 12.258 1.00 61.01 H new ATOM 0 HG2 LYS A 64 -35.706 -14.320 13.616 1.00 32.51 H new ATOM 0 HG3 LYS A 64 -34.844 -15.766 14.105 1.00 32.51 H new ATOM 0 HD2 LYS A 64 -33.000 -14.115 14.962 1.00 53.52 H new ATOM 0 HD3 LYS A 64 -34.242 -12.887 14.828 1.00 53.52 H new ATOM 0 HE2 LYS A 64 -34.310 -15.396 16.542 1.00 42.22 H new ATOM 0 HE3 LYS A 64 -34.268 -13.734 17.095 1.00 42.22 H new ATOM 0 HZ1 LYS A 64 -36.466 -13.642 17.003 1.00 24.32 H new ATOM 0 HZ2 LYS A 64 -36.484 -14.099 15.368 1.00 24.32 H new ATOM 0 HZ3 LYS A 64 -36.508 -15.287 16.581 1.00 24.32 H new ATOM 850 N ASP A 65 -36.439 -16.738 11.821 1.00 62.33 N ATOM 851 CA ASP A 65 -37.216 -17.882 12.283 1.00 54.20 C ATOM 852 C ASP A 65 -37.733 -18.702 11.105 1.00 5.42 C ATOM 853 O ASP A 65 -38.608 -19.552 11.263 1.00 0.35 O ATOM 854 CB ASP A 65 -38.389 -17.414 13.147 1.00 32.01 C ATOM 855 CG ASP A 65 -39.087 -18.562 13.848 1.00 33.52 C ATOM 856 OD1 ASP A 65 -38.398 -19.346 14.534 1.00 20.31 O ATOM 857 OD2 ASP A 65 -40.322 -18.676 13.713 1.00 44.43 O ATOM 0 H ASP A 65 -36.997 -15.980 11.427 1.00 62.33 H new ATOM 0 HA ASP A 65 -36.561 -18.514 12.883 1.00 54.20 H new ATOM 0 HB2 ASP A 65 -38.028 -16.704 13.891 1.00 32.01 H new ATOM 0 HB3 ASP A 65 -39.107 -16.883 12.522 1.00 32.01 H new ATOM 861 N ASN A 66 -37.184 -18.439 9.923 1.00 11.51 N ATOM 862 CA ASN A 66 -37.592 -19.150 8.716 1.00 71.40 C ATOM 863 C ASN A 66 -37.616 -20.657 8.956 1.00 22.12 C ATOM 864 O ASN A 66 -38.328 -21.393 8.273 1.00 2.31 O ATOM 865 CB ASN A 66 -36.643 -18.822 7.561 1.00 31.32 C ATOM 866 CG ASN A 66 -35.272 -18.389 8.044 1.00 20.24 C ATOM 867 OD1 ASN A 66 -34.774 -17.330 7.664 1.00 30.14 O ATOM 868 ND2 ASN A 66 -34.655 -19.209 8.888 1.00 42.04 N ATOM 0 H ASN A 66 -36.456 -17.740 9.775 1.00 11.51 H new ATOM 0 HA ASN A 66 -38.599 -18.824 8.454 1.00 71.40 H new ATOM 0 HB2 ASN A 66 -36.540 -19.697 6.920 1.00 31.32 H new ATOM 0 HB3 ASN A 66 -37.077 -18.030 6.951 1.00 31.32 H new ATOM 0 HD21 ASN A 66 -33.731 -18.970 9.247 1.00 42.04 H new ATOM 0 HD22 ASN A 66 -35.106 -20.077 9.177 1.00 42.04 H new ATOM 874 N ALA A 67 -36.834 -21.109 9.932 1.00 4.43 N ATOM 875 CA ALA A 67 -36.769 -22.526 10.263 1.00 23.45 C ATOM 876 C ALA A 67 -38.165 -23.114 10.438 1.00 1.52 C ATOM 877 O ALA A 67 -38.394 -24.289 10.152 1.00 24.53 O ATOM 878 CB ALA A 67 -35.944 -22.735 11.525 1.00 55.04 C ATOM 0 H ALA A 67 -36.237 -20.514 10.506 1.00 4.43 H new ATOM 0 HA ALA A 67 -36.286 -23.046 9.435 1.00 23.45 H new ATOM 0 HB1 ALA A 67 -35.903 -23.798 11.761 1.00 55.04 H new ATOM 0 HB2 ALA A 67 -34.933 -22.360 11.365 1.00 55.04 H new ATOM 0 HB3 ALA A 67 -36.404 -22.197 12.354 1.00 55.04 H new ATOM 884 N GLU A 68 -39.095 -22.289 10.911 1.00 60.23 N ATOM 885 CA GLU A 68 -40.468 -22.730 11.125 1.00 72.02 C ATOM 886 C GLU A 68 -41.077 -23.261 9.830 1.00 62.22 C ATOM 887 O GLU A 68 -40.496 -23.123 8.755 1.00 21.53 O ATOM 888 CB GLU A 68 -41.318 -21.580 11.667 1.00 23.02 C ATOM 889 CG GLU A 68 -42.537 -22.039 12.448 1.00 52.41 C ATOM 890 CD GLU A 68 -43.113 -20.946 13.326 1.00 14.11 C ATOM 891 OE1 GLU A 68 -42.617 -19.802 13.254 1.00 75.13 O ATOM 892 OE2 GLU A 68 -44.062 -21.233 14.087 1.00 70.44 O ATOM 0 H GLU A 68 -38.922 -21.313 11.153 1.00 60.23 H new ATOM 0 HA GLU A 68 -40.453 -23.537 11.857 1.00 72.02 H new ATOM 0 HB2 GLU A 68 -40.699 -20.954 12.310 1.00 23.02 H new ATOM 0 HB3 GLU A 68 -41.644 -20.957 10.834 1.00 23.02 H new ATOM 0 HG2 GLU A 68 -43.302 -22.381 11.751 1.00 52.41 H new ATOM 0 HG3 GLU A 68 -42.266 -22.893 13.069 1.00 52.41 H new ATOM 897 N GLY A 69 -42.254 -23.870 9.943 1.00 43.02 N ATOM 898 CA GLY A 69 -42.923 -24.412 8.774 1.00 72.13 C ATOM 899 C GLY A 69 -42.998 -23.416 7.635 1.00 63.03 C ATOM 900 O GLY A 69 -42.170 -23.441 6.725 1.00 24.43 O ATOM 0 H GLY A 69 -42.756 -23.998 10.822 1.00 43.02 H new ATOM 0 HA2 GLY A 69 -42.395 -25.304 8.438 1.00 72.13 H new ATOM 0 HA3 GLY A 69 -43.931 -24.723 9.048 1.00 72.13 H new ATOM 903 N GLN A 70 -43.996 -22.539 7.682 1.00 72.43 N ATOM 904 CA GLN A 70 -44.177 -21.532 6.643 1.00 71.31 C ATOM 905 C GLN A 70 -43.083 -20.473 6.716 1.00 2.34 C ATOM 906 O GLN A 70 -42.915 -19.807 7.737 1.00 63.35 O ATOM 907 CB GLN A 70 -45.552 -20.874 6.776 1.00 62.51 C ATOM 908 CG GLN A 70 -46.669 -21.660 6.111 1.00 5.34 C ATOM 909 CD GLN A 70 -47.991 -21.527 6.842 1.00 65.23 C ATOM 910 OE1 GLN A 70 -48.675 -22.519 7.096 1.00 35.12 O ATOM 911 NE2 GLN A 70 -48.358 -20.298 7.184 1.00 31.13 N ATOM 0 H GLN A 70 -44.691 -22.506 8.428 1.00 72.43 H new ATOM 0 HA GLN A 70 -44.112 -22.028 5.675 1.00 71.31 H new ATOM 0 HB2 GLN A 70 -45.786 -20.750 7.833 1.00 62.51 H new ATOM 0 HB3 GLN A 70 -45.512 -19.876 6.340 1.00 62.51 H new ATOM 0 HG2 GLN A 70 -46.790 -21.315 5.084 1.00 5.34 H new ATOM 0 HG3 GLN A 70 -46.389 -22.712 6.063 1.00 5.34 H new ATOM 0 HE21 GLN A 70 -47.760 -19.504 6.953 1.00 31.13 H new ATOM 0 HE22 GLN A 70 -49.238 -20.147 7.677 1.00 31.13 H new ATOM 918 N GLY A 71 -42.340 -20.320 5.623 1.00 33.23 N ATOM 919 CA GLY A 71 -41.271 -19.340 5.585 1.00 22.42 C ATOM 920 C GLY A 71 -40.530 -19.342 4.262 1.00 33.43 C ATOM 921 O GLY A 71 -40.537 -18.348 3.538 1.00 54.42 O ATOM 0 H GLY A 71 -42.460 -20.857 4.764 1.00 33.23 H new ATOM 0 HA2 GLY A 71 -41.685 -18.348 5.765 1.00 22.42 H new ATOM 0 HA3 GLY A 71 -40.567 -19.543 6.392 1.00 22.42 H new ATOM 924 N GLU A 72 -39.886 -20.463 3.948 1.00 32.44 N ATOM 925 CA GLU A 72 -39.135 -20.588 2.704 1.00 32.14 C ATOM 926 C GLU A 72 -39.934 -21.366 1.662 1.00 21.54 C ATOM 927 O GLU A 72 -39.463 -21.595 0.548 1.00 13.03 O ATOM 928 CB GLU A 72 -37.796 -21.283 2.960 1.00 62.54 C ATOM 929 CG GLU A 72 -36.908 -20.549 3.951 1.00 41.32 C ATOM 930 CD GLU A 72 -36.143 -19.405 3.314 1.00 53.22 C ATOM 931 OE1 GLU A 72 -35.167 -19.679 2.585 1.00 61.24 O ATOM 932 OE2 GLU A 72 -36.520 -18.238 3.543 1.00 55.40 O ATOM 0 H GLU A 72 -39.870 -21.296 4.537 1.00 32.44 H new ATOM 0 HA GLU A 72 -38.949 -19.586 2.319 1.00 32.14 H new ATOM 0 HB2 GLU A 72 -37.984 -22.290 3.331 1.00 62.54 H new ATOM 0 HB3 GLU A 72 -37.263 -21.386 2.015 1.00 62.54 H new ATOM 0 HG2 GLU A 72 -37.521 -20.162 4.765 1.00 41.32 H new ATOM 0 HG3 GLU A 72 -36.202 -21.253 4.391 1.00 41.32 H new ATOM 937 N SER A 73 -41.144 -21.770 2.034 1.00 11.24 N ATOM 938 CA SER A 73 -42.007 -22.526 1.134 1.00 3.12 C ATOM 939 C SER A 73 -41.658 -24.009 1.165 1.00 72.44 C ATOM 940 O SER A 73 -40.498 -24.383 1.349 1.00 54.31 O ATOM 941 CB SER A 73 -41.883 -21.990 -0.294 1.00 40.35 C ATOM 942 OG SER A 73 -41.691 -20.587 -0.299 1.00 51.12 O ATOM 0 H SER A 73 -41.549 -21.587 2.952 1.00 11.24 H new ATOM 0 HA SER A 73 -43.037 -22.407 1.471 1.00 3.12 H new ATOM 0 HB2 SER A 73 -41.047 -22.476 -0.796 1.00 40.35 H new ATOM 0 HB3 SER A 73 -42.782 -22.239 -0.858 1.00 40.35 H new ATOM 0 HG SER A 73 -40.732 -20.388 -0.318 1.00 51.12 H new ATOM 947 N LEU A 74 -42.669 -24.853 0.984 1.00 33.35 N ATOM 948 CA LEU A 74 -42.470 -26.298 0.992 1.00 21.43 C ATOM 949 C LEU A 74 -41.456 -26.714 -0.070 1.00 54.55 C ATOM 950 O LEU A 74 -40.949 -27.835 -0.052 1.00 63.21 O ATOM 951 CB LEU A 74 -43.799 -27.017 0.754 1.00 73.20 C ATOM 952 CG LEU A 74 -44.157 -27.300 -0.705 1.00 0.44 C ATOM 953 CD1 LEU A 74 -43.657 -28.674 -1.121 1.00 61.55 C ATOM 954 CD2 LEU A 74 -45.660 -27.192 -0.916 1.00 10.31 C ATOM 0 H LEU A 74 -43.634 -24.561 0.830 1.00 33.35 H new ATOM 0 HA LEU A 74 -42.081 -26.581 1.970 1.00 21.43 H new ATOM 0 HB2 LEU A 74 -43.778 -27.965 1.292 1.00 73.20 H new ATOM 0 HB3 LEU A 74 -44.597 -26.418 1.193 1.00 73.20 H new ATOM 0 HG LEU A 74 -43.667 -26.553 -1.330 1.00 0.44 H new ATOM 0 HD11 LEU A 74 -43.921 -28.857 -2.162 1.00 61.55 H new ATOM 0 HD12 LEU A 74 -42.574 -28.716 -1.009 1.00 61.55 H new ATOM 0 HD13 LEU A 74 -44.117 -29.435 -0.491 1.00 61.55 H new ATOM 0 HD21 LEU A 74 -45.896 -27.397 -1.960 1.00 10.31 H new ATOM 0 HD22 LEU A 74 -46.170 -27.916 -0.280 1.00 10.31 H new ATOM 0 HD23 LEU A 74 -45.992 -26.186 -0.659 1.00 10.31 H new ATOM 965 N ALA A 75 -41.167 -25.803 -0.993 1.00 22.42 N ATOM 966 CA ALA A 75 -40.211 -26.074 -2.060 1.00 10.24 C ATOM 967 C ALA A 75 -38.777 -25.935 -1.561 1.00 72.12 C ATOM 968 O ALA A 75 -37.866 -26.588 -2.071 1.00 42.43 O ATOM 969 CB ALA A 75 -40.455 -25.140 -3.236 1.00 23.02 C ATOM 0 H ALA A 75 -41.581 -24.871 -1.024 1.00 22.42 H new ATOM 0 HA ALA A 75 -40.355 -27.103 -2.390 1.00 10.24 H new ATOM 0 HB1 ALA A 75 -39.734 -25.353 -4.026 1.00 23.02 H new ATOM 0 HB2 ALA A 75 -41.465 -25.290 -3.617 1.00 23.02 H new ATOM 0 HB3 ALA A 75 -40.340 -24.106 -2.910 1.00 23.02 H new ATOM 975 N ASP A 76 -38.583 -25.081 -0.562 1.00 51.14 N ATOM 976 CA ASP A 76 -37.259 -24.857 0.006 1.00 20.41 C ATOM 977 C ASP A 76 -36.660 -26.163 0.520 1.00 62.22 C ATOM 978 O ASP A 76 -35.472 -26.426 0.335 1.00 32.01 O ATOM 979 CB ASP A 76 -37.334 -23.836 1.142 1.00 23.04 C ATOM 980 CG ASP A 76 -35.989 -23.605 1.802 1.00 14.32 C ATOM 981 OD1 ASP A 76 -35.223 -22.752 1.307 1.00 61.35 O ATOM 982 OD2 ASP A 76 -35.703 -24.276 2.816 1.00 54.30 O ATOM 0 H ASP A 76 -39.326 -24.533 -0.129 1.00 51.14 H new ATOM 0 HA ASP A 76 -36.615 -24.467 -0.782 1.00 20.41 H new ATOM 0 HB2 ASP A 76 -37.712 -22.891 0.753 1.00 23.04 H new ATOM 0 HB3 ASP A 76 -38.048 -24.181 1.890 1.00 23.04 H new ATOM 986 N GLN A 77 -37.491 -26.976 1.164 1.00 41.42 N ATOM 987 CA GLN A 77 -37.042 -28.254 1.705 1.00 64.03 C ATOM 988 C GLN A 77 -37.012 -29.324 0.619 1.00 55.24 C ATOM 989 O GLN A 77 -36.088 -30.135 0.560 1.00 63.22 O ATOM 990 CB GLN A 77 -37.957 -28.697 2.849 1.00 24.12 C ATOM 991 CG GLN A 77 -38.361 -27.563 3.778 1.00 4.22 C ATOM 992 CD GLN A 77 -38.215 -27.929 5.241 1.00 13.35 C ATOM 993 OE1 GLN A 77 -38.680 -28.980 5.681 1.00 64.14 O ATOM 994 NE2 GLN A 77 -37.568 -27.058 6.008 1.00 64.21 N ATOM 0 H GLN A 77 -38.478 -26.773 1.324 1.00 41.42 H new ATOM 0 HA GLN A 77 -36.030 -28.123 2.088 1.00 64.03 H new ATOM 0 HB2 GLN A 77 -38.855 -29.150 2.430 1.00 24.12 H new ATOM 0 HB3 GLN A 77 -37.452 -29.469 3.430 1.00 24.12 H new ATOM 0 HG2 GLN A 77 -37.749 -26.687 3.564 1.00 4.22 H new ATOM 0 HG3 GLN A 77 -39.396 -27.286 3.578 1.00 4.22 H new ATOM 0 HE21 GLN A 77 -37.198 -26.198 5.603 1.00 64.21 H new ATOM 0 HE22 GLN A 77 -37.441 -27.249 7.002 1.00 64.21 H new ATOM 1001 N ALA A 78 -38.029 -29.321 -0.237 1.00 24.30 N ATOM 1002 CA ALA A 78 -38.117 -30.291 -1.321 1.00 21.22 C ATOM 1003 C ALA A 78 -36.759 -30.503 -1.981 1.00 43.00 C ATOM 1004 O ALA A 78 -36.443 -31.602 -2.434 1.00 73.34 O ATOM 1005 CB ALA A 78 -39.141 -29.838 -2.352 1.00 54.45 C ATOM 0 H ALA A 78 -38.803 -28.658 -0.200 1.00 24.30 H new ATOM 0 HA ALA A 78 -38.438 -31.243 -0.898 1.00 21.22 H new ATOM 0 HB1 ALA A 78 -39.197 -30.572 -3.156 1.00 54.45 H new ATOM 0 HB2 ALA A 78 -40.118 -29.745 -1.878 1.00 54.45 H new ATOM 0 HB3 ALA A 78 -38.843 -28.873 -2.761 1.00 54.45 H new ATOM 1011 N ARG A 79 -35.959 -29.442 -2.031 1.00 22.40 N ATOM 1012 CA ARG A 79 -34.635 -29.512 -2.638 1.00 21.31 C ATOM 1013 C ARG A 79 -33.655 -30.240 -1.721 1.00 2.25 C ATOM 1014 O ARG A 79 -33.110 -31.284 -2.082 1.00 14.44 O ATOM 1015 CB ARG A 79 -34.115 -28.107 -2.943 1.00 0.22 C ATOM 1016 CG ARG A 79 -35.030 -27.304 -3.855 1.00 73.41 C ATOM 1017 CD ARG A 79 -34.497 -25.898 -4.081 1.00 34.04 C ATOM 1018 NE ARG A 79 -35.540 -24.986 -4.545 1.00 72.52 N ATOM 1019 CZ ARG A 79 -35.327 -23.701 -4.809 1.00 44.03 C ATOM 1020 NH1 ARG A 79 -34.118 -23.180 -4.656 1.00 60.34 N ATOM 1021 NH2 ARG A 79 -36.327 -22.935 -5.229 1.00 32.40 N ATOM 0 H ARG A 79 -36.205 -28.525 -1.659 1.00 22.40 H new ATOM 0 HA ARG A 79 -34.719 -30.071 -3.570 1.00 21.31 H new ATOM 0 HB2 ARG A 79 -33.984 -27.566 -2.006 1.00 0.22 H new ATOM 0 HB3 ARG A 79 -33.132 -28.185 -3.406 1.00 0.22 H new ATOM 0 HG2 ARG A 79 -35.130 -27.815 -4.813 1.00 73.41 H new ATOM 0 HG3 ARG A 79 -36.027 -27.250 -3.417 1.00 73.41 H new ATOM 0 HD2 ARG A 79 -34.070 -25.518 -3.153 1.00 34.04 H new ATOM 0 HD3 ARG A 79 -33.690 -25.929 -4.813 1.00 34.04 H new ATOM 0 HE ARG A 79 -36.482 -25.355 -4.673 1.00 72.52 H new ATOM 0 HH11 ARG A 79 -33.347 -23.766 -4.335 1.00 60.34 H new ATOM 0 HH12 ARG A 79 -33.958 -22.193 -4.860 1.00 60.34 H new ATOM 0 HH21 ARG A 79 -37.259 -23.333 -5.349 1.00 32.40 H new ATOM 0 HH22 ARG A 79 -36.164 -21.949 -5.432 1.00 32.40 H new ATOM 1032 N ASP A 80 -33.436 -29.682 -0.536 1.00 1.24 N ATOM 1033 CA ASP A 80 -32.523 -30.277 0.433 1.00 54.15 C ATOM 1034 C ASP A 80 -33.145 -31.511 1.079 1.00 40.31 C ATOM 1035 O ASP A 80 -32.547 -32.587 1.090 1.00 75.41 O ATOM 1036 CB ASP A 80 -32.150 -29.256 1.508 1.00 71.30 C ATOM 1037 CG ASP A 80 -31.068 -28.298 1.048 1.00 71.45 C ATOM 1038 OD1 ASP A 80 -30.632 -28.413 -0.117 1.00 43.10 O ATOM 1039 OD2 ASP A 80 -30.658 -27.436 1.852 1.00 51.21 O ATOM 0 H ASP A 80 -33.878 -28.818 -0.223 1.00 1.24 H new ATOM 0 HA ASP A 80 -31.620 -30.582 -0.095 1.00 54.15 H new ATOM 0 HB2 ASP A 80 -33.037 -28.689 1.789 1.00 71.30 H new ATOM 0 HB3 ASP A 80 -31.811 -29.781 2.401 1.00 71.30 H new ATOM 1043 N TYR A 81 -34.348 -31.348 1.616 1.00 54.43 N ATOM 1044 CA TYR A 81 -35.051 -32.447 2.268 1.00 74.44 C ATOM 1045 C TYR A 81 -34.921 -33.732 1.457 1.00 74.43 C ATOM 1046 O TYR A 81 -34.307 -34.701 1.903 1.00 61.34 O ATOM 1047 CB TYR A 81 -36.528 -32.096 2.457 1.00 43.25 C ATOM 1048 CG TYR A 81 -37.186 -32.839 3.599 1.00 24.51 C ATOM 1049 CD1 TYR A 81 -36.569 -32.931 4.840 1.00 65.21 C ATOM 1050 CD2 TYR A 81 -38.424 -33.447 3.436 1.00 42.12 C ATOM 1051 CE1 TYR A 81 -37.165 -33.609 5.885 1.00 41.20 C ATOM 1052 CE2 TYR A 81 -39.029 -34.125 4.476 1.00 42.40 C ATOM 1053 CZ TYR A 81 -38.395 -34.203 5.698 1.00 52.33 C ATOM 1054 OH TYR A 81 -38.994 -34.879 6.738 1.00 22.44 O ATOM 0 H TYR A 81 -34.858 -30.465 1.613 1.00 54.43 H new ATOM 0 HA TYR A 81 -34.596 -32.607 3.245 1.00 74.44 H new ATOM 0 HB2 TYR A 81 -36.618 -31.024 2.632 1.00 43.25 H new ATOM 0 HB3 TYR A 81 -37.066 -32.315 1.534 1.00 43.25 H new ATOM 0 HD1 TYR A 81 -35.607 -32.464 4.990 1.00 65.21 H new ATOM 0 HD2 TYR A 81 -38.922 -33.389 2.480 1.00 42.12 H new ATOM 0 HE1 TYR A 81 -36.671 -33.674 6.843 1.00 41.20 H new ATOM 0 HE2 TYR A 81 -39.993 -34.591 4.333 1.00 42.40 H new ATOM 0 HH TYR A 81 -39.856 -35.238 6.441 1.00 22.44 H new ATOM 1063 N MET A 82 -35.505 -33.733 0.263 1.00 12.43 N ATOM 1064 CA MET A 82 -35.453 -34.898 -0.613 1.00 13.51 C ATOM 1065 C MET A 82 -34.039 -35.465 -0.680 1.00 43.22 C ATOM 1066 O MET A 82 -33.849 -36.678 -0.763 1.00 2.53 O ATOM 1067 CB MET A 82 -35.936 -34.530 -2.017 1.00 1.14 C ATOM 1068 CG MET A 82 -34.851 -33.926 -2.894 1.00 34.44 C ATOM 1069 SD MET A 82 -35.423 -33.577 -4.566 1.00 4.20 S ATOM 1070 CE MET A 82 -34.915 -35.070 -5.417 1.00 21.33 C ATOM 0 H MET A 82 -36.020 -32.940 -0.120 1.00 12.43 H new ATOM 0 HA MET A 82 -36.112 -35.662 -0.200 1.00 13.51 H new ATOM 0 HB2 MET A 82 -36.329 -35.423 -2.503 1.00 1.14 H new ATOM 0 HB3 MET A 82 -36.761 -33.822 -1.935 1.00 1.14 H new ATOM 0 HG2 MET A 82 -34.492 -33.004 -2.437 1.00 34.44 H new ATOM 0 HG3 MET A 82 -34.004 -34.610 -2.940 1.00 34.44 H new ATOM 0 HE1 MET A 82 -35.200 -35.005 -6.467 1.00 21.33 H new ATOM 0 HE2 MET A 82 -33.833 -35.182 -5.341 1.00 21.33 H new ATOM 0 HE3 MET A 82 -35.402 -35.932 -4.961 1.00 21.33 H new ATOM 1078 N GLY A 83 -33.048 -34.579 -0.646 1.00 13.44 N ATOM 1079 CA GLY A 83 -31.665 -35.011 -0.706 1.00 35.41 C ATOM 1080 C GLY A 83 -31.202 -35.653 0.587 1.00 33.02 C ATOM 1081 O GLY A 83 -30.819 -36.823 0.605 1.00 1.31 O ATOM 0 H GLY A 83 -33.179 -33.570 -0.578 1.00 13.44 H new ATOM 0 HA2 GLY A 83 -31.544 -35.721 -1.524 1.00 35.41 H new ATOM 0 HA3 GLY A 83 -31.029 -34.155 -0.931 1.00 35.41 H new ATOM 1084 N ALA A 84 -31.234 -34.886 1.672 1.00 72.42 N ATOM 1085 CA ALA A 84 -30.815 -35.387 2.975 1.00 72.43 C ATOM 1086 C ALA A 84 -31.538 -36.684 3.323 1.00 42.32 C ATOM 1087 O ALA A 84 -31.071 -37.463 4.153 1.00 63.53 O ATOM 1088 CB ALA A 84 -31.064 -34.338 4.048 1.00 35.52 C ATOM 0 H ALA A 84 -31.546 -33.915 1.674 1.00 72.42 H new ATOM 0 HA ALA A 84 -29.747 -35.598 2.929 1.00 72.43 H new ATOM 0 HB1 ALA A 84 -30.747 -34.725 5.016 1.00 35.52 H new ATOM 0 HB2 ALA A 84 -30.497 -33.437 3.814 1.00 35.52 H new ATOM 0 HB3 ALA A 84 -32.127 -34.099 4.084 1.00 35.52 H new ATOM 1094 N ALA A 85 -32.681 -36.909 2.683 1.00 32.33 N ATOM 1095 CA ALA A 85 -33.467 -38.112 2.924 1.00 14.11 C ATOM 1096 C ALA A 85 -32.963 -39.276 2.078 1.00 30.11 C ATOM 1097 O ALA A 85 -32.302 -40.184 2.583 1.00 4.15 O ATOM 1098 CB ALA A 85 -34.939 -37.847 2.638 1.00 23.42 C ATOM 0 H ALA A 85 -33.083 -36.274 1.994 1.00 32.33 H new ATOM 0 HA ALA A 85 -33.355 -38.385 3.973 1.00 14.11 H new ATOM 0 HB1 ALA A 85 -35.514 -38.754 2.822 1.00 23.42 H new ATOM 0 HB2 ALA A 85 -35.299 -37.051 3.290 1.00 23.42 H new ATOM 0 HB3 ALA A 85 -35.059 -37.546 1.597 1.00 23.42 H new ATOM 1104 N LYS A 86 -33.280 -39.245 0.788 1.00 13.34 N ATOM 1105 CA LYS A 86 -32.860 -40.297 -0.129 1.00 22.32 C ATOM 1106 C LYS A 86 -31.364 -40.568 0.002 1.00 10.32 C ATOM 1107 O LYS A 86 -30.922 -41.714 -0.079 1.00 2.02 O ATOM 1108 CB LYS A 86 -33.193 -39.908 -1.571 1.00 4.15 C ATOM 1109 CG LYS A 86 -33.024 -41.045 -2.563 1.00 61.05 C ATOM 1110 CD LYS A 86 -31.719 -40.925 -3.332 1.00 73.43 C ATOM 1111 CE LYS A 86 -31.731 -41.783 -4.588 1.00 1.04 C ATOM 1112 NZ LYS A 86 -32.817 -41.381 -5.524 1.00 1.43 N ATOM 0 H LYS A 86 -33.827 -38.502 0.354 1.00 13.34 H new ATOM 0 HA LYS A 86 -33.401 -41.207 0.130 1.00 22.32 H new ATOM 0 HB2 LYS A 86 -34.222 -39.550 -1.613 1.00 4.15 H new ATOM 0 HB3 LYS A 86 -32.554 -39.077 -1.871 1.00 4.15 H new ATOM 0 HG2 LYS A 86 -33.049 -41.998 -2.034 1.00 61.05 H new ATOM 0 HG3 LYS A 86 -33.860 -41.047 -3.262 1.00 61.05 H new ATOM 0 HD2 LYS A 86 -31.550 -39.883 -3.604 1.00 73.43 H new ATOM 0 HD3 LYS A 86 -30.889 -41.226 -2.692 1.00 73.43 H new ATOM 0 HE2 LYS A 86 -30.768 -41.702 -5.093 1.00 1.04 H new ATOM 0 HE3 LYS A 86 -31.859 -42.830 -4.312 1.00 1.04 H new ATOM 0 HZ1 LYS A 86 -32.567 -41.672 -6.491 1.00 1.43 H new ATOM 0 HZ2 LYS A 86 -33.706 -41.841 -5.242 1.00 1.43 H new ATOM 0 HZ3 LYS A 86 -32.937 -40.348 -5.493 1.00 1.43 H new ATOM 1122 N SER A 87 -30.591 -39.506 0.208 1.00 64.33 N ATOM 1123 CA SER A 87 -29.146 -39.630 0.349 1.00 64.51 C ATOM 1124 C SER A 87 -28.783 -40.314 1.664 1.00 50.44 C ATOM 1125 O SER A 87 -28.271 -41.434 1.674 1.00 71.12 O ATOM 1126 CB SER A 87 -28.485 -38.252 0.280 1.00 13.43 C ATOM 1127 OG SER A 87 -27.159 -38.345 -0.210 1.00 11.43 O ATOM 0 H SER A 87 -30.942 -38.551 0.281 1.00 64.33 H new ATOM 0 HA SER A 87 -28.779 -40.244 -0.473 1.00 64.51 H new ATOM 0 HB2 SER A 87 -29.069 -37.597 -0.366 1.00 13.43 H new ATOM 0 HB3 SER A 87 -28.479 -37.799 1.271 1.00 13.43 H new ATOM 0 HG SER A 87 -26.760 -37.451 -0.246 1.00 11.43 H new ATOM 1132 N LYS A 88 -29.055 -39.633 2.772 1.00 64.24 N ATOM 1133 CA LYS A 88 -28.760 -40.174 4.094 1.00 73.02 C ATOM 1134 C LYS A 88 -29.529 -41.470 4.336 1.00 3.22 C ATOM 1135 O LYS A 88 -28.941 -42.497 4.675 1.00 54.54 O ATOM 1136 CB LYS A 88 -29.112 -39.150 5.176 1.00 54.44 C ATOM 1137 CG LYS A 88 -28.208 -39.216 6.394 1.00 61.53 C ATOM 1138 CD LYS A 88 -29.007 -39.174 7.685 1.00 2.23 C ATOM 1139 CE LYS A 88 -29.290 -40.571 8.213 1.00 53.43 C ATOM 1140 NZ LYS A 88 -29.291 -40.614 9.701 1.00 2.23 N ATOM 0 H LYS A 88 -29.479 -38.705 2.781 1.00 64.24 H new ATOM 0 HA LYS A 88 -27.693 -40.391 4.141 1.00 73.02 H new ATOM 0 HB2 LYS A 88 -29.058 -38.149 4.748 1.00 54.44 H new ATOM 0 HB3 LYS A 88 -30.144 -39.307 5.491 1.00 54.44 H new ATOM 0 HG2 LYS A 88 -27.617 -40.131 6.360 1.00 61.53 H new ATOM 0 HG3 LYS A 88 -27.506 -38.383 6.373 1.00 61.53 H new ATOM 0 HD2 LYS A 88 -28.458 -38.605 8.435 1.00 2.23 H new ATOM 0 HD3 LYS A 88 -29.948 -38.651 7.514 1.00 2.23 H new ATOM 0 HE2 LYS A 88 -30.256 -40.911 7.840 1.00 53.43 H new ATOM 0 HE3 LYS A 88 -28.539 -41.262 7.831 1.00 53.43 H new ATOM 0 HZ1 LYS A 88 -29.488 -41.584 10.020 1.00 2.23 H new ATOM 0 HZ2 LYS A 88 -28.361 -40.314 10.058 1.00 2.23 H new ATOM 0 HZ3 LYS A 88 -30.025 -39.974 10.066 1.00 2.23 H new ATOM 1150 N LEU A 89 -30.844 -41.414 4.156 1.00 22.33 N ATOM 1151 CA LEU A 89 -31.692 -42.584 4.353 1.00 41.20 C ATOM 1152 C LEU A 89 -31.133 -43.794 3.613 1.00 23.53 C ATOM 1153 O LEU A 89 -30.903 -44.846 4.207 1.00 33.21 O ATOM 1154 CB LEU A 89 -33.116 -42.292 3.873 1.00 74.55 C ATOM 1155 CG LEU A 89 -34.182 -43.311 4.278 1.00 42.31 C ATOM 1156 CD1 LEU A 89 -35.467 -42.606 4.684 1.00 33.14 C ATOM 1157 CD2 LEU A 89 -34.445 -44.288 3.142 1.00 73.31 C ATOM 0 H LEU A 89 -31.346 -40.572 3.874 1.00 22.33 H new ATOM 0 HA LEU A 89 -31.712 -42.811 5.419 1.00 41.20 H new ATOM 0 HB2 LEU A 89 -33.413 -41.315 4.253 1.00 74.55 H new ATOM 0 HB3 LEU A 89 -33.104 -42.221 2.785 1.00 74.55 H new ATOM 0 HG LEU A 89 -33.812 -43.873 5.136 1.00 42.31 H new ATOM 0 HD11 LEU A 89 -36.214 -43.347 4.969 1.00 33.14 H new ATOM 0 HD12 LEU A 89 -35.269 -41.947 5.529 1.00 33.14 H new ATOM 0 HD13 LEU A 89 -35.840 -42.018 3.845 1.00 33.14 H new ATOM 0 HD21 LEU A 89 -35.206 -45.006 3.448 1.00 73.31 H new ATOM 0 HD22 LEU A 89 -34.793 -43.742 2.265 1.00 73.31 H new ATOM 0 HD23 LEU A 89 -33.524 -44.818 2.897 1.00 73.31 H new ATOM 1168 N ASN A 90 -30.912 -43.636 2.312 1.00 5.13 N ATOM 1169 CA ASN A 90 -30.376 -44.715 1.490 1.00 64.31 C ATOM 1170 C ASN A 90 -28.913 -44.983 1.830 1.00 32.13 C ATOM 1171 O ASN A 90 -28.494 -46.134 1.951 1.00 35.11 O ATOM 1172 CB ASN A 90 -30.512 -44.369 0.005 1.00 35.51 C ATOM 1173 CG ASN A 90 -30.620 -45.604 -0.868 1.00 31.22 C ATOM 1174 OD1 ASN A 90 -31.696 -46.187 -1.008 1.00 30.42 O ATOM 1175 ND2 ASN A 90 -29.502 -46.009 -1.462 1.00 12.32 N ATOM 0 H ASN A 90 -31.096 -42.771 1.804 1.00 5.13 H new ATOM 0 HA ASN A 90 -30.950 -45.618 1.700 1.00 64.31 H new ATOM 0 HB2 ASN A 90 -31.394 -43.746 -0.141 1.00 35.51 H new ATOM 0 HB3 ASN A 90 -29.650 -43.780 -0.309 1.00 35.51 H new ATOM 0 HD21 ASN A 90 -29.513 -46.834 -2.062 1.00 12.32 H new ATOM 0 HD22 ASN A 90 -28.633 -45.495 -1.318 1.00 12.32 H new ATOM 1181 N ASP A 91 -28.141 -43.912 1.982 1.00 54.35 N ATOM 1182 CA ASP A 91 -26.725 -44.030 2.310 1.00 74.24 C ATOM 1183 C ASP A 91 -26.538 -44.480 3.756 1.00 11.32 C ATOM 1184 O ASP A 91 -25.449 -44.897 4.150 1.00 14.32 O ATOM 1185 CB ASP A 91 -26.013 -42.696 2.081 1.00 63.05 C ATOM 1186 CG ASP A 91 -24.504 -42.827 2.147 1.00 1.33 C ATOM 1187 OD1 ASP A 91 -23.894 -43.185 1.118 1.00 3.03 O ATOM 1188 OD2 ASP A 91 -23.934 -42.570 3.227 1.00 40.41 O ATOM 0 H ASP A 91 -28.472 -42.952 1.883 1.00 54.35 H new ATOM 0 HA ASP A 91 -26.287 -44.783 1.655 1.00 74.24 H new ATOM 0 HB2 ASP A 91 -26.298 -42.298 1.107 1.00 63.05 H new ATOM 0 HB3 ASP A 91 -26.346 -41.977 2.829 1.00 63.05 H new ATOM 1192 N ALA A 92 -27.607 -44.389 4.541 1.00 60.42 N ATOM 1193 CA ALA A 92 -27.560 -44.786 5.943 1.00 10.42 C ATOM 1194 C ALA A 92 -28.303 -46.099 6.167 1.00 63.43 C ATOM 1195 O ALA A 92 -28.029 -46.824 7.123 1.00 21.33 O ATOM 1196 CB ALA A 92 -28.145 -43.691 6.822 1.00 23.24 C ATOM 0 H ALA A 92 -28.515 -44.044 4.230 1.00 60.42 H new ATOM 0 HA ALA A 92 -26.516 -44.938 6.217 1.00 10.42 H new ATOM 0 HB1 ALA A 92 -28.103 -44.001 7.866 1.00 23.24 H new ATOM 0 HB2 ALA A 92 -27.570 -42.774 6.693 1.00 23.24 H new ATOM 0 HB3 ALA A 92 -29.182 -43.512 6.538 1.00 23.24 H new ATOM 1202 N VAL A 93 -29.245 -46.400 5.278 1.00 31.13 N ATOM 1203 CA VAL A 93 -30.027 -47.626 5.379 1.00 63.21 C ATOM 1204 C VAL A 93 -29.593 -48.641 4.327 1.00 73.44 C ATOM 1205 O VAL A 93 -29.575 -49.845 4.584 1.00 33.11 O ATOM 1206 CB VAL A 93 -31.533 -47.345 5.215 1.00 71.32 C ATOM 1207 CG1 VAL A 93 -31.936 -47.431 3.751 1.00 50.33 C ATOM 1208 CG2 VAL A 93 -32.348 -48.313 6.059 1.00 12.30 C ATOM 0 H VAL A 93 -29.485 -45.811 4.480 1.00 31.13 H new ATOM 0 HA VAL A 93 -29.848 -48.037 6.373 1.00 63.21 H new ATOM 0 HB VAL A 93 -31.737 -46.333 5.563 1.00 71.32 H new ATOM 0 HG11 VAL A 93 -33.003 -47.230 3.655 1.00 50.33 H new ATOM 0 HG12 VAL A 93 -31.375 -46.695 3.175 1.00 50.33 H new ATOM 0 HG13 VAL A 93 -31.720 -48.430 3.372 1.00 50.33 H new ATOM 0 HG21 VAL A 93 -33.410 -48.101 5.932 1.00 12.30 H new ATOM 0 HG22 VAL A 93 -32.141 -49.335 5.742 1.00 12.30 H new ATOM 0 HG23 VAL A 93 -32.078 -48.197 7.109 1.00 12.30 H new ATOM 1218 N GLU A 94 -29.244 -48.148 3.143 1.00 54.53 N ATOM 1219 CA GLU A 94 -28.811 -49.014 2.053 1.00 74.20 C ATOM 1220 C GLU A 94 -27.293 -49.174 2.057 1.00 44.13 C ATOM 1221 O GLU A 94 -26.770 -50.234 1.713 1.00 23.21 O ATOM 1222 CB GLU A 94 -29.272 -48.449 0.709 1.00 44.53 C ATOM 1223 CG GLU A 94 -29.671 -49.517 -0.296 1.00 20.12 C ATOM 1224 CD GLU A 94 -31.025 -49.250 -0.924 1.00 1.01 C ATOM 1225 OE1 GLU A 94 -32.033 -49.256 -0.187 1.00 4.05 O ATOM 1226 OE2 GLU A 94 -31.077 -49.036 -2.153 1.00 64.44 O ATOM 0 H GLU A 94 -29.253 -47.154 2.914 1.00 54.53 H new ATOM 0 HA GLU A 94 -29.263 -49.995 2.200 1.00 74.20 H new ATOM 0 HB2 GLU A 94 -30.119 -47.784 0.875 1.00 44.53 H new ATOM 0 HB3 GLU A 94 -28.471 -47.844 0.285 1.00 44.53 H new ATOM 0 HG2 GLU A 94 -28.916 -49.573 -1.080 1.00 20.12 H new ATOM 0 HG3 GLU A 94 -29.689 -50.488 0.199 1.00 20.12 H new ATOM 1231 N TYR A 95 -26.594 -48.114 2.446 1.00 63.34 N ATOM 1232 CA TYR A 95 -25.136 -48.136 2.491 1.00 11.22 C ATOM 1233 C TYR A 95 -24.640 -48.573 3.866 1.00 15.23 C ATOM 1234 O TYR A 95 -23.663 -49.313 3.980 1.00 40.14 O ATOM 1235 CB TYR A 95 -24.575 -46.755 2.149 1.00 14.23 C ATOM 1236 CG TYR A 95 -23.116 -46.587 2.512 1.00 50.33 C ATOM 1237 CD1 TYR A 95 -22.739 -46.186 3.787 1.00 33.21 C ATOM 1238 CD2 TYR A 95 -22.116 -46.829 1.579 1.00 45.35 C ATOM 1239 CE1 TYR A 95 -21.408 -46.031 4.123 1.00 11.41 C ATOM 1240 CE2 TYR A 95 -20.782 -46.677 1.906 1.00 73.23 C ATOM 1241 CZ TYR A 95 -20.433 -46.278 3.179 1.00 54.23 C ATOM 1242 OH TYR A 95 -19.107 -46.125 3.509 1.00 63.41 O ATOM 0 H TYR A 95 -27.012 -47.230 2.734 1.00 63.34 H new ATOM 0 HA TYR A 95 -24.785 -48.857 1.753 1.00 11.22 H new ATOM 0 HB2 TYR A 95 -24.698 -46.577 1.081 1.00 14.23 H new ATOM 0 HB3 TYR A 95 -25.160 -45.996 2.668 1.00 14.23 H new ATOM 0 HD1 TYR A 95 -23.500 -45.992 4.529 1.00 33.21 H new ATOM 0 HD2 TYR A 95 -22.386 -47.141 0.581 1.00 45.35 H new ATOM 0 HE1 TYR A 95 -21.132 -45.718 5.119 1.00 11.41 H new ATOM 0 HE2 TYR A 95 -20.017 -46.870 1.169 1.00 73.23 H new ATOM 0 HH TYR A 95 -18.550 -46.339 2.732 1.00 63.41 H new ATOM 1251 N VAL A 96 -25.321 -48.108 4.909 1.00 53.02 N ATOM 1252 CA VAL A 96 -24.952 -48.451 6.277 1.00 0.11 C ATOM 1253 C VAL A 96 -25.693 -49.697 6.750 1.00 31.10 C ATOM 1254 O VAL A 96 -25.076 -50.702 7.102 1.00 21.31 O ATOM 1255 CB VAL A 96 -25.250 -47.291 7.246 1.00 73.11 C ATOM 1256 CG1 VAL A 96 -25.713 -47.825 8.592 1.00 74.24 C ATOM 1257 CG2 VAL A 96 -24.024 -46.405 7.409 1.00 5.30 C ATOM 0 H VAL A 96 -26.131 -47.493 4.832 1.00 53.02 H new ATOM 0 HA VAL A 96 -23.880 -48.648 6.276 1.00 0.11 H new ATOM 0 HB VAL A 96 -26.054 -46.687 6.825 1.00 73.11 H new ATOM 0 HG11 VAL A 96 -25.919 -46.991 9.263 1.00 74.24 H new ATOM 0 HG12 VAL A 96 -26.620 -48.414 8.457 1.00 74.24 H new ATOM 0 HG13 VAL A 96 -24.933 -48.453 9.022 1.00 74.24 H new ATOM 0 HG21 VAL A 96 -24.252 -45.591 8.097 1.00 5.30 H new ATOM 0 HG22 VAL A 96 -23.199 -46.995 7.807 1.00 5.30 H new ATOM 0 HG23 VAL A 96 -23.741 -45.993 6.440 1.00 5.30 H new ATOM 1267 N SER A 97 -27.020 -49.623 6.756 1.00 64.02 N ATOM 1268 CA SER A 97 -27.845 -50.744 7.188 1.00 73.22 C ATOM 1269 C SER A 97 -27.879 -51.837 6.125 1.00 62.21 C ATOM 1270 O SER A 97 -28.237 -52.981 6.404 1.00 3.11 O ATOM 1271 CB SER A 97 -29.268 -50.270 7.494 1.00 33.34 C ATOM 1272 OG SER A 97 -29.810 -50.966 8.603 1.00 61.24 O ATOM 0 H SER A 97 -27.546 -48.799 6.467 1.00 64.02 H new ATOM 0 HA SER A 97 -27.404 -51.158 8.095 1.00 73.22 H new ATOM 0 HB2 SER A 97 -29.262 -49.200 7.700 1.00 33.34 H new ATOM 0 HB3 SER A 97 -29.901 -50.423 6.620 1.00 33.34 H new ATOM 0 HG SER A 97 -30.719 -50.644 8.779 1.00 61.24 H new ATOM 1277 N GLY A 98 -27.503 -51.475 4.902 1.00 40.31 N ATOM 1278 CA GLY A 98 -27.498 -52.435 3.812 1.00 33.52 C ATOM 1279 C GLY A 98 -26.189 -53.194 3.715 1.00 73.32 C ATOM 1280 O GLY A 98 -26.128 -54.264 3.110 1.00 74.00 O ATOM 0 H GLY A 98 -27.202 -50.535 4.646 1.00 40.31 H new ATOM 0 HA2 GLY A 98 -28.315 -53.143 3.951 1.00 33.52 H new ATOM 0 HA3 GLY A 98 -27.683 -51.915 2.872 1.00 33.52 H new ATOM 1283 N ARG A 99 -25.139 -52.639 4.312 1.00 2.32 N ATOM 1284 CA ARG A 99 -23.824 -53.269 4.287 1.00 4.34 C ATOM 1285 C ARG A 99 -23.667 -54.245 5.450 1.00 4.54 C ATOM 1286 O ARG A 99 -23.354 -55.418 5.251 1.00 43.15 O ATOM 1287 CB ARG A 99 -22.725 -52.207 4.346 1.00 14.45 C ATOM 1288 CG ARG A 99 -22.226 -51.769 2.979 1.00 51.30 C ATOM 1289 CD ARG A 99 -20.902 -52.431 2.631 1.00 1.40 C ATOM 1290 NE ARG A 99 -20.957 -53.123 1.346 1.00 15.10 N ATOM 1291 CZ ARG A 99 -19.912 -53.727 0.792 1.00 42.24 C ATOM 1292 NH1 ARG A 99 -18.738 -53.725 1.406 1.00 31.43 N ATOM 1293 NH2 ARG A 99 -20.042 -54.337 -0.380 1.00 24.13 N ATOM 0 H ARG A 99 -25.173 -51.754 4.819 1.00 2.32 H new ATOM 0 HA ARG A 99 -23.732 -53.825 3.354 1.00 4.34 H new ATOM 0 HB2 ARG A 99 -23.102 -51.336 4.882 1.00 14.45 H new ATOM 0 HB3 ARG A 99 -21.886 -52.597 4.922 1.00 14.45 H new ATOM 0 HG2 ARG A 99 -22.969 -52.019 2.222 1.00 51.30 H new ATOM 0 HG3 ARG A 99 -22.107 -50.686 2.964 1.00 51.30 H new ATOM 0 HD2 ARG A 99 -20.116 -51.677 2.603 1.00 1.40 H new ATOM 0 HD3 ARG A 99 -20.635 -53.141 3.414 1.00 1.40 H new ATOM 0 HE ARG A 99 -21.846 -53.144 0.847 1.00 15.10 H new ATOM 0 HH11 ARG A 99 -18.635 -53.259 2.307 1.00 31.43 H new ATOM 0 HH12 ARG A 99 -17.938 -54.190 0.978 1.00 31.43 H new ATOM 0 HH21 ARG A 99 -20.945 -54.342 -0.855 1.00 24.13 H new ATOM 0 HH22 ARG A 99 -19.239 -54.801 -0.805 1.00 24.13 H new ATOM 1304 N VAL A 100 -23.887 -53.750 6.664 1.00 41.43 N ATOM 1305 CA VAL A 100 -23.771 -54.578 7.859 1.00 22.13 C ATOM 1306 C VAL A 100 -24.727 -55.764 7.800 1.00 33.51 C ATOM 1307 O VAL A 100 -24.430 -56.841 8.321 1.00 50.31 O ATOM 1308 CB VAL A 100 -24.057 -53.764 9.135 1.00 74.14 C ATOM 1309 CG1 VAL A 100 -23.857 -54.626 10.373 1.00 13.13 C ATOM 1310 CG2 VAL A 100 -23.174 -52.528 9.187 1.00 31.22 C ATOM 0 H VAL A 100 -24.146 -52.780 6.846 1.00 41.43 H new ATOM 0 HA VAL A 100 -22.745 -54.944 7.893 1.00 22.13 H new ATOM 0 HB VAL A 100 -25.097 -53.438 9.113 1.00 74.14 H new ATOM 0 HG11 VAL A 100 -24.063 -54.035 11.265 1.00 13.13 H new ATOM 0 HG12 VAL A 100 -24.536 -55.478 10.337 1.00 13.13 H new ATOM 0 HG13 VAL A 100 -22.828 -54.984 10.405 1.00 13.13 H new ATOM 0 HG21 VAL A 100 -23.390 -51.965 10.095 1.00 31.22 H new ATOM 0 HG22 VAL A 100 -22.126 -52.829 9.187 1.00 31.22 H new ATOM 0 HG23 VAL A 100 -23.372 -51.903 8.317 1.00 31.22 H new ATOM 1320 N HIS A 101 -25.876 -55.561 7.163 1.00 63.24 N ATOM 1321 CA HIS A 101 -26.875 -56.616 7.035 1.00 40.31 C ATOM 1322 C HIS A 101 -26.368 -57.739 6.136 1.00 40.25 C ATOM 1323 O HIS A 101 -26.605 -58.917 6.403 1.00 14.01 O ATOM 1324 CB HIS A 101 -28.179 -56.046 6.474 1.00 65.33 C ATOM 1325 CG HIS A 101 -29.102 -55.514 7.525 1.00 73.20 C ATOM 1326 ND1 HIS A 101 -28.657 -54.878 8.665 1.00 34.13 N ATOM 1327 CD2 HIS A 101 -30.453 -55.524 7.606 1.00 63.15 C ATOM 1328 CE1 HIS A 101 -29.695 -54.522 9.402 1.00 73.25 C ATOM 1329 NE2 HIS A 101 -30.797 -54.903 8.780 1.00 15.23 N ATOM 0 H HIS A 101 -26.138 -54.676 6.728 1.00 63.24 H new ATOM 0 HA HIS A 101 -27.063 -57.027 8.027 1.00 40.31 H new ATOM 0 HB2 HIS A 101 -27.944 -55.247 5.771 1.00 65.33 H new ATOM 0 HB3 HIS A 101 -28.694 -56.825 5.911 1.00 65.33 H new ATOM 0 HD2 HIS A 101 -31.134 -55.943 6.881 1.00 63.15 H new ATOM 0 HE1 HIS A 101 -29.650 -54.008 10.351 1.00 73.25 H new ATOM 0 HE2 HIS A 101 -31.749 -54.759 9.118 1.00 15.23 H new ATOM 1336 N GLY A 102 -25.670 -57.367 5.067 1.00 13.24 N ATOM 1337 CA GLY A 102 -25.142 -58.355 4.145 1.00 2.53 C ATOM 1338 C GLY A 102 -24.076 -59.227 4.778 1.00 44.44 C ATOM 1339 O GLY A 102 -23.690 -59.011 5.925 1.00 71.31 O ATOM 0 H GLY A 102 -25.461 -56.399 4.823 1.00 13.24 H new ATOM 0 HA2 GLY A 102 -25.956 -58.985 3.786 1.00 2.53 H new ATOM 0 HA3 GLY A 102 -24.724 -57.849 3.275 1.00 2.53 H new ATOM 1342 N GLU A 103 -23.601 -60.216 4.027 1.00 41.44 N ATOM 1343 CA GLU A 103 -22.575 -61.126 4.524 1.00 10.43 C ATOM 1344 C GLU A 103 -21.186 -60.668 4.088 1.00 74.02 C ATOM 1345 O GLU A 103 -20.920 -60.505 2.899 1.00 61.15 O ATOM 1346 CB GLU A 103 -22.836 -62.548 4.022 1.00 43.10 C ATOM 1347 CG GLU A 103 -24.260 -63.023 4.254 1.00 73.13 C ATOM 1348 CD GLU A 103 -24.498 -64.428 3.735 1.00 41.21 C ATOM 1349 OE1 GLU A 103 -24.886 -64.565 2.556 1.00 43.53 O ATOM 1350 OE2 GLU A 103 -24.298 -65.389 4.506 1.00 13.13 O ATOM 0 H GLU A 103 -23.910 -60.407 3.074 1.00 41.44 H new ATOM 0 HA GLU A 103 -22.616 -61.120 5.613 1.00 10.43 H new ATOM 0 HB2 GLU A 103 -22.616 -62.594 2.955 1.00 43.10 H new ATOM 0 HB3 GLU A 103 -22.148 -63.232 4.519 1.00 43.10 H new ATOM 0 HG2 GLU A 103 -24.480 -62.992 5.321 1.00 73.13 H new ATOM 0 HG3 GLU A 103 -24.952 -62.337 3.765 1.00 73.13 H new ATOM 1355 N GLU A 104 -20.305 -60.462 5.063 1.00 50.20 N ATOM 1356 CA GLU A 104 -18.945 -60.021 4.781 1.00 63.44 C ATOM 1357 C GLU A 104 -18.009 -61.216 4.615 1.00 43.44 C ATOM 1358 O GLU A 104 -16.790 -61.059 4.554 1.00 64.33 O ATOM 1359 CB GLU A 104 -18.436 -59.114 5.903 1.00 45.10 C ATOM 1360 CG GLU A 104 -19.034 -57.717 5.873 1.00 24.24 C ATOM 1361 CD GLU A 104 -20.356 -57.633 6.609 1.00 31.40 C ATOM 1362 OE1 GLU A 104 -20.337 -57.483 7.849 1.00 63.33 O ATOM 1363 OE2 GLU A 104 -21.410 -57.716 5.945 1.00 13.42 O ATOM 0 H GLU A 104 -20.509 -60.594 6.054 1.00 50.20 H new ATOM 0 HA GLU A 104 -18.959 -59.459 3.847 1.00 63.44 H new ATOM 0 HB2 GLU A 104 -18.662 -59.577 6.864 1.00 45.10 H new ATOM 0 HB3 GLU A 104 -17.351 -59.038 5.833 1.00 45.10 H new ATOM 0 HG2 GLU A 104 -18.329 -57.015 6.318 1.00 24.24 H new ATOM 0 HG3 GLU A 104 -19.179 -57.410 4.837 1.00 24.24 H new ATOM 1368 N ASP A 105 -18.590 -62.409 4.545 1.00 44.53 N ATOM 1369 CA ASP A 105 -17.810 -63.631 4.386 1.00 62.41 C ATOM 1370 C ASP A 105 -16.843 -63.510 3.212 1.00 1.45 C ATOM 1371 O ASP A 105 -17.025 -62.695 2.308 1.00 42.50 O ATOM 1372 CB ASP A 105 -18.737 -64.829 4.178 1.00 44.22 C ATOM 1373 CG ASP A 105 -19.929 -64.495 3.302 1.00 12.23 C ATOM 1374 OD1 ASP A 105 -19.767 -63.689 2.362 1.00 22.52 O ATOM 1375 OD2 ASP A 105 -21.023 -65.038 3.557 1.00 73.33 O ATOM 0 H ASP A 105 -19.598 -62.556 4.596 1.00 44.53 H new ATOM 0 HA ASP A 105 -17.230 -63.784 5.296 1.00 62.41 H new ATOM 0 HB2 ASP A 105 -18.174 -65.645 3.725 1.00 44.22 H new ATOM 0 HB3 ASP A 105 -19.090 -65.184 5.146 1.00 44.22 H new ATOM 1379 N PRO A 106 -15.789 -64.339 3.225 1.00 13.50 N ATOM 1380 CA PRO A 106 -14.772 -64.343 2.169 1.00 50.22 C ATOM 1381 C PRO A 106 -15.308 -64.888 0.850 1.00 52.25 C ATOM 1382 O PRO A 106 -15.281 -66.096 0.607 1.00 22.23 O ATOM 1383 CB PRO A 106 -13.686 -65.266 2.727 1.00 32.51 C ATOM 1384 CG PRO A 106 -14.401 -66.162 3.679 1.00 45.20 C ATOM 1385 CD PRO A 106 -15.509 -65.336 4.271 1.00 34.31 C ATOM 0 HA PRO A 106 -14.420 -63.338 1.938 1.00 50.22 H new ATOM 0 HB2 PRO A 106 -13.205 -65.836 1.932 1.00 32.51 H new ATOM 0 HB3 PRO A 106 -12.904 -64.698 3.230 1.00 32.51 H new ATOM 0 HG2 PRO A 106 -14.798 -67.038 3.167 1.00 45.20 H new ATOM 0 HG3 PRO A 106 -13.727 -66.525 4.455 1.00 45.20 H new ATOM 0 HD2 PRO A 106 -16.387 -65.942 4.493 1.00 34.31 H new ATOM 0 HD3 PRO A 106 -15.203 -64.864 5.204 1.00 34.31 H new ATOM 1390 N THR A 107 -15.798 -63.992 -0.001 1.00 22.51 N ATOM 1391 CA THR A 107 -16.342 -64.383 -1.295 1.00 63.21 C ATOM 1392 C THR A 107 -15.353 -65.250 -2.067 1.00 72.03 C ATOM 1393 O THR A 107 -15.749 -66.105 -2.861 1.00 15.21 O ATOM 1394 CB THR A 107 -16.703 -63.153 -2.148 1.00 62.32 C ATOM 1395 OG1 THR A 107 -17.383 -63.565 -3.339 1.00 32.11 O ATOM 1396 CG2 THR A 107 -15.455 -62.366 -2.517 1.00 24.45 C ATOM 0 H THR A 107 -15.829 -62.989 0.183 1.00 22.51 H new ATOM 0 HA THR A 107 -17.248 -64.956 -1.097 1.00 63.21 H new ATOM 0 HB THR A 107 -17.358 -62.510 -1.560 1.00 62.32 H new ATOM 0 HG1 THR A 107 -17.610 -62.777 -3.875 1.00 32.11 H new ATOM 0 HG21 THR A 107 -15.735 -61.502 -3.119 1.00 24.45 H new ATOM 0 HG22 THR A 107 -14.956 -62.029 -1.609 1.00 24.45 H new ATOM 0 HG23 THR A 107 -14.779 -63.003 -3.088 1.00 24.45 H new ATOM 1404 N LYS A 108 -14.066 -65.027 -1.829 1.00 22.14 N ATOM 1405 CA LYS A 108 -13.020 -65.789 -2.500 1.00 24.21 C ATOM 1406 C LYS A 108 -12.322 -66.731 -1.524 1.00 61.14 C ATOM 1407 O LYS A 108 -12.768 -66.910 -0.391 1.00 23.22 O ATOM 1408 CB LYS A 108 -11.996 -64.842 -3.132 1.00 74.13 C ATOM 1409 CG LYS A 108 -11.114 -64.135 -2.117 1.00 52.54 C ATOM 1410 CD LYS A 108 -10.078 -63.255 -2.796 1.00 41.22 C ATOM 1411 CE LYS A 108 -8.878 -64.065 -3.263 1.00 1.42 C ATOM 1412 NZ LYS A 108 -7.889 -63.221 -3.988 1.00 1.14 N ATOM 0 H LYS A 108 -13.721 -64.324 -1.175 1.00 22.14 H new ATOM 0 HA LYS A 108 -13.486 -66.386 -3.284 1.00 24.21 H new ATOM 0 HB2 LYS A 108 -11.365 -65.408 -3.818 1.00 74.13 H new ATOM 0 HB3 LYS A 108 -12.523 -64.095 -3.726 1.00 74.13 H new ATOM 0 HG2 LYS A 108 -11.733 -63.527 -1.457 1.00 52.54 H new ATOM 0 HG3 LYS A 108 -10.612 -64.874 -1.492 1.00 52.54 H new ATOM 0 HD2 LYS A 108 -10.531 -62.750 -3.649 1.00 41.22 H new ATOM 0 HD3 LYS A 108 -9.748 -62.480 -2.104 1.00 41.22 H new ATOM 0 HE2 LYS A 108 -8.397 -64.531 -2.403 1.00 1.42 H new ATOM 0 HE3 LYS A 108 -9.215 -64.871 -3.915 1.00 1.42 H new ATOM 0 HZ1 LYS A 108 -7.086 -63.809 -4.290 1.00 1.14 H new ATOM 0 HZ2 LYS A 108 -8.341 -62.797 -4.823 1.00 1.14 H new ATOM 0 HZ3 LYS A 108 -7.548 -62.467 -3.358 1.00 1.14 H new ATOM 1422 N LYS A 109 -11.224 -67.331 -1.971 1.00 61.42 N ATOM 1423 CA LYS A 109 -10.462 -68.254 -1.137 1.00 24.34 C ATOM 1424 C LYS A 109 -8.967 -68.127 -1.411 1.00 3.00 C ATOM 1425 O LYS A 109 -8.545 -68.004 -2.561 1.00 61.02 O ATOM 1426 CB LYS A 109 -10.917 -69.694 -1.387 1.00 63.41 C ATOM 1427 CG LYS A 109 -10.437 -70.261 -2.712 1.00 70.13 C ATOM 1428 CD LYS A 109 -10.859 -71.712 -2.882 1.00 24.02 C ATOM 1429 CE LYS A 109 -9.841 -72.663 -2.272 1.00 41.24 C ATOM 1430 NZ LYS A 109 -10.102 -74.077 -2.661 1.00 65.11 N ATOM 0 H LYS A 109 -10.841 -67.195 -2.907 1.00 61.42 H new ATOM 0 HA LYS A 109 -10.645 -67.998 -0.094 1.00 24.34 H new ATOM 0 HB2 LYS A 109 -10.554 -70.327 -0.577 1.00 63.41 H new ATOM 0 HB3 LYS A 109 -12.006 -69.733 -1.358 1.00 63.41 H new ATOM 0 HG2 LYS A 109 -10.840 -69.665 -3.531 1.00 70.13 H new ATOM 0 HG3 LYS A 109 -9.351 -70.188 -2.768 1.00 70.13 H new ATOM 0 HD2 LYS A 109 -11.830 -71.867 -2.412 1.00 24.02 H new ATOM 0 HD3 LYS A 109 -10.978 -71.936 -3.942 1.00 24.02 H new ATOM 0 HE2 LYS A 109 -8.839 -72.377 -2.592 1.00 41.24 H new ATOM 0 HE3 LYS A 109 -9.866 -72.574 -1.186 1.00 41.24 H new ATOM 0 HZ1 LYS A 109 -9.387 -74.694 -2.226 1.00 65.11 H new ATOM 0 HZ2 LYS A 109 -11.048 -74.358 -2.333 1.00 65.11 H new ATOM 0 HZ3 LYS A 109 -10.053 -74.167 -3.696 1.00 65.11 H new TER 1440 LYS A 109