USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 848 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -58:sc= 0.637 USER MOD Single : A 25 ASN : amide:sc= -0.945 K(o=-0.94,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0.558 (180deg=0.0412) USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= -0.71 (180deg=-2.7!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -166:sc= -1.43 (180deg=-2.13) USER MOD Single : A 38 THR OG1 : rot -46:sc= -2.15! USER MOD Single : A 40 SER OG : rot 180:sc= -0.747 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.72 F(o=-2.3,f=-1.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.104) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= -0.0696 (180deg=-0.394) USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= -0.356 (180deg=-0.393) USER MOD Single : A 83 MET CE :methyl -139:sc= -2.6 (180deg=-5.67!) USER MOD Single : A 84 ASN : amide:sc= -0.957 X(o=-0.96,f=-1.4) USER MOD Single : A 91 GLN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 93 SER OG : rot -112:sc= -0.649 USER MOD Single : A 94 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.046) USER MOD Single : A 96 CYS SG : rot -27:sc= -0.533 USER MOD Single : A 98 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.078 21.509 11.066 1.00 50.01 N ATOM 2 CA GLY A 1 -2.362 20.958 12.201 1.00 23.51 C ATOM 3 C GLY A 1 -2.269 19.445 12.149 1.00 3.51 C ATOM 4 O GLY A 1 -3.104 18.746 12.721 1.00 24.43 O ATOM 0 H1 GLY A 1 -3.114 22.545 11.148 1.00 50.01 H new ATOM 0 H2 GLY A 1 -2.588 21.248 10.187 1.00 50.01 H new ATOM 0 H3 GLY A 1 -4.046 21.129 11.049 1.00 50.01 H new ATOM 0 HA2 GLY A 1 -1.357 21.380 12.233 1.00 23.51 H new ATOM 0 HA3 GLY A 1 -2.862 21.257 13.122 1.00 23.51 H new ATOM 8 N ALA A 2 -1.251 18.940 11.460 1.00 52.15 N ATOM 9 CA ALA A 2 -1.052 17.502 11.335 1.00 32.51 C ATOM 10 C ALA A 2 0.246 17.189 10.599 1.00 21.52 C ATOM 11 O ALA A 2 0.521 17.751 9.539 1.00 33.54 O ATOM 12 CB ALA A 2 -2.234 16.865 10.618 1.00 0.34 C ATOM 0 H ALA A 2 -0.551 19.506 10.980 1.00 52.15 H new ATOM 0 HA ALA A 2 -0.981 17.082 12.338 1.00 32.51 H new ATOM 0 HB1 ALA A 2 -2.071 15.791 10.532 1.00 0.34 H new ATOM 0 HB2 ALA A 2 -3.146 17.050 11.185 1.00 0.34 H new ATOM 0 HB3 ALA A 2 -2.332 17.298 9.623 1.00 0.34 H new ATOM 18 N MET A 3 1.042 16.289 11.169 1.00 74.14 N ATOM 19 CA MET A 3 2.311 15.901 10.565 1.00 4.32 C ATOM 20 C MET A 3 2.942 14.739 11.325 1.00 3.14 C ATOM 21 O MET A 3 3.454 14.913 12.431 1.00 15.22 O ATOM 22 CB MET A 3 3.273 17.091 10.540 1.00 53.21 C ATOM 23 CG MET A 3 3.320 17.862 11.849 1.00 1.12 C ATOM 24 SD MET A 3 4.914 18.656 12.130 1.00 2.33 S ATOM 25 CE MET A 3 4.425 20.048 13.146 1.00 32.34 C ATOM 0 H MET A 3 0.830 15.816 12.047 1.00 74.14 H new ATOM 0 HA MET A 3 2.115 15.579 9.542 1.00 4.32 H new ATOM 0 HB2 MET A 3 4.275 16.733 10.303 1.00 53.21 H new ATOM 0 HB3 MET A 3 2.979 17.769 9.739 1.00 53.21 H new ATOM 0 HG2 MET A 3 2.536 18.619 11.848 1.00 1.12 H new ATOM 0 HG3 MET A 3 3.106 17.183 12.674 1.00 1.12 H new ATOM 0 HE1 MET A 3 5.305 20.638 13.403 1.00 32.34 H new ATOM 0 HE2 MET A 3 3.719 20.670 12.595 1.00 32.34 H new ATOM 0 HE3 MET A 3 3.953 19.684 14.059 1.00 32.34 H new ATOM 35 N ALA A 4 2.902 13.554 10.725 1.00 21.14 N ATOM 36 CA ALA A 4 3.471 12.364 11.346 1.00 43.04 C ATOM 37 C ALA A 4 3.747 11.282 10.307 1.00 44.22 C ATOM 38 O ALA A 4 2.958 11.078 9.385 1.00 33.44 O ATOM 39 CB ALA A 4 2.540 11.835 12.426 1.00 1.34 C ATOM 0 H ALA A 4 2.482 13.392 9.810 1.00 21.14 H new ATOM 0 HA ALA A 4 4.420 12.642 11.805 1.00 43.04 H new ATOM 0 HB1 ALA A 4 2.978 10.946 12.881 1.00 1.34 H new ATOM 0 HB2 ALA A 4 2.396 12.600 13.189 1.00 1.34 H new ATOM 0 HB3 ALA A 4 1.577 11.579 11.983 1.00 1.34 H new ATOM 45 N MET A 5 4.873 10.593 10.462 1.00 41.02 N ATOM 46 CA MET A 5 5.252 9.532 9.537 1.00 63.54 C ATOM 47 C MET A 5 6.010 8.423 10.261 1.00 14.44 C ATOM 48 O MET A 5 6.311 8.539 11.449 1.00 52.00 O ATOM 49 CB MET A 5 6.112 10.096 8.404 1.00 72.02 C ATOM 50 CG MET A 5 5.301 10.698 7.268 1.00 52.22 C ATOM 51 SD MET A 5 5.337 12.501 7.268 1.00 30.12 S ATOM 52 CE MET A 5 4.230 12.862 5.907 1.00 22.00 C ATOM 0 H MET A 5 5.538 10.751 11.219 1.00 41.02 H new ATOM 0 HA MET A 5 4.340 9.110 9.116 1.00 63.54 H new ATOM 0 HB2 MET A 5 6.777 10.859 8.809 1.00 72.02 H new ATOM 0 HB3 MET A 5 6.743 9.301 8.007 1.00 72.02 H new ATOM 0 HG2 MET A 5 5.687 10.331 6.317 1.00 52.22 H new ATOM 0 HG3 MET A 5 4.268 10.359 7.345 1.00 52.22 H new ATOM 0 HE1 MET A 5 4.148 13.942 5.781 1.00 22.00 H new ATOM 0 HE2 MET A 5 4.622 12.418 4.992 1.00 22.00 H new ATOM 0 HE3 MET A 5 3.245 12.446 6.119 1.00 22.00 H new ATOM 62 N ALA A 6 6.314 7.350 9.539 1.00 50.31 N ATOM 63 CA ALA A 6 7.037 6.223 10.113 1.00 24.22 C ATOM 64 C ALA A 6 8.362 5.996 9.392 1.00 33.52 C ATOM 65 O ALA A 6 8.397 5.833 8.172 1.00 34.13 O ATOM 66 CB ALA A 6 6.183 4.965 10.060 1.00 12.12 C ATOM 0 H ALA A 6 6.071 7.238 8.555 1.00 50.31 H new ATOM 0 HA ALA A 6 7.255 6.457 11.155 1.00 24.22 H new ATOM 0 HB1 ALA A 6 6.736 4.131 10.492 1.00 12.12 H new ATOM 0 HB2 ALA A 6 5.265 5.124 10.626 1.00 12.12 H new ATOM 0 HB3 ALA A 6 5.935 4.737 9.023 1.00 12.12 H new ATOM 72 N LYS A 7 9.451 5.986 10.154 1.00 54.14 N ATOM 73 CA LYS A 7 10.778 5.778 9.588 1.00 4.32 C ATOM 74 C LYS A 7 11.571 4.771 10.416 1.00 53.42 C ATOM 75 O LYS A 7 12.620 5.098 10.970 1.00 15.34 O ATOM 76 CB LYS A 7 11.538 7.105 9.516 1.00 72.02 C ATOM 77 CG LYS A 7 11.087 8.002 8.376 1.00 11.54 C ATOM 78 CD LYS A 7 11.272 9.472 8.717 1.00 64.31 C ATOM 79 CE LYS A 7 9.952 10.129 9.089 1.00 60.41 C ATOM 80 NZ LYS A 7 10.030 11.614 9.011 1.00 21.33 N ATOM 0 H LYS A 7 9.440 6.120 11.165 1.00 54.14 H new ATOM 0 HA LYS A 7 10.658 5.380 8.581 1.00 4.32 H new ATOM 0 HB2 LYS A 7 11.412 7.638 10.458 1.00 72.02 H new ATOM 0 HB3 LYS A 7 12.603 6.899 9.406 1.00 72.02 H new ATOM 0 HG2 LYS A 7 11.654 7.762 7.477 1.00 11.54 H new ATOM 0 HG3 LYS A 7 10.038 7.808 8.153 1.00 11.54 H new ATOM 0 HD2 LYS A 7 11.974 9.569 9.545 1.00 64.31 H new ATOM 0 HD3 LYS A 7 11.711 9.992 7.865 1.00 64.31 H new ATOM 0 HE2 LYS A 7 9.168 9.771 8.422 1.00 60.41 H new ATOM 0 HE3 LYS A 7 9.671 9.833 10.100 1.00 60.41 H new ATOM 0 HZ1 LYS A 7 9.111 12.024 9.272 1.00 21.33 H new ATOM 0 HZ2 LYS A 7 10.761 11.958 9.666 1.00 21.33 H new ATOM 0 HZ3 LYS A 7 10.273 11.898 8.041 1.00 21.33 H new ATOM 94 N ALA A 8 11.063 3.546 10.493 1.00 33.24 N ATOM 95 CA ALA A 8 11.725 2.491 11.250 1.00 21.22 C ATOM 96 C ALA A 8 11.100 1.131 10.959 1.00 71.21 C ATOM 97 O ALA A 8 9.882 1.013 10.826 1.00 73.21 O ATOM 98 CB ALA A 8 11.665 2.793 12.740 1.00 24.02 C ATOM 0 H ALA A 8 10.195 3.259 10.040 1.00 33.24 H new ATOM 0 HA ALA A 8 12.769 2.456 10.939 1.00 21.22 H new ATOM 0 HB1 ALA A 8 12.163 1.997 13.293 1.00 24.02 H new ATOM 0 HB2 ALA A 8 12.165 3.741 12.940 1.00 24.02 H new ATOM 0 HB3 ALA A 8 10.624 2.858 13.056 1.00 24.02 H new ATOM 104 N ARG A 9 11.941 0.107 10.860 1.00 24.21 N ATOM 105 CA ARG A 9 11.471 -1.245 10.582 1.00 13.24 C ATOM 106 C ARG A 9 11.961 -2.221 11.648 1.00 50.12 C ATOM 107 O ARG A 9 12.234 -3.386 11.359 1.00 21.35 O ATOM 108 CB ARG A 9 11.946 -1.700 9.201 1.00 2.43 C ATOM 109 CG ARG A 9 11.543 -0.759 8.078 1.00 52.41 C ATOM 110 CD ARG A 9 12.509 -0.842 6.907 1.00 25.20 C ATOM 111 NE ARG A 9 13.435 0.287 6.880 1.00 51.34 N ATOM 112 CZ ARG A 9 14.145 0.630 5.811 1.00 60.35 C ATOM 113 NH1 ARG A 9 14.036 -0.066 4.687 1.00 32.12 N ATOM 114 NH2 ARG A 9 14.966 1.671 5.864 1.00 62.35 N ATOM 0 H ARG A 9 12.952 0.188 10.968 1.00 24.21 H new ATOM 0 HA ARG A 9 10.381 -1.234 10.598 1.00 13.24 H new ATOM 0 HB2 ARG A 9 13.032 -1.794 9.212 1.00 2.43 H new ATOM 0 HB3 ARG A 9 11.542 -2.691 8.996 1.00 2.43 H new ATOM 0 HG2 ARG A 9 10.537 -1.006 7.739 1.00 52.41 H new ATOM 0 HG3 ARG A 9 11.511 0.264 8.453 1.00 52.41 H new ATOM 0 HD2 ARG A 9 13.074 -1.772 6.968 1.00 25.20 H new ATOM 0 HD3 ARG A 9 11.946 -0.871 5.974 1.00 25.20 H new ATOM 0 HE ARG A 9 13.542 0.843 7.729 1.00 51.34 H new ATOM 0 HH11 ARG A 9 13.406 -0.867 4.642 1.00 32.12 H new ATOM 0 HH12 ARG A 9 14.582 0.200 3.868 1.00 32.12 H new ATOM 0 HH21 ARG A 9 15.053 2.209 6.726 1.00 62.35 H new ATOM 0 HH22 ARG A 9 15.511 1.933 5.042 1.00 62.35 H new ATOM 128 N LYS A 10 12.071 -1.737 12.880 1.00 31.04 N ATOM 129 CA LYS A 10 12.527 -2.565 13.990 1.00 23.32 C ATOM 130 C LYS A 10 11.357 -3.293 14.643 1.00 33.04 C ATOM 131 O LYS A 10 10.364 -2.686 15.046 1.00 72.24 O ATOM 132 CB LYS A 10 13.252 -1.707 15.030 1.00 61.25 C ATOM 133 CG LYS A 10 14.620 -1.229 14.576 1.00 44.41 C ATOM 134 CD LYS A 10 15.686 -2.286 14.808 1.00 23.31 C ATOM 135 CE LYS A 10 16.908 -1.703 15.501 1.00 65.32 C ATOM 136 NZ LYS A 10 17.814 -1.014 14.540 1.00 1.25 N ATOM 0 H LYS A 10 11.850 -0.774 13.135 1.00 31.04 H new ATOM 0 HA LYS A 10 13.219 -3.308 13.595 1.00 23.32 H new ATOM 0 HB2 LYS A 10 12.635 -0.841 15.269 1.00 61.25 H new ATOM 0 HB3 LYS A 10 13.364 -2.282 15.949 1.00 61.25 H new ATOM 0 HG2 LYS A 10 14.584 -0.974 13.517 1.00 44.41 H new ATOM 0 HG3 LYS A 10 14.885 -0.319 15.114 1.00 44.41 H new ATOM 0 HD2 LYS A 10 15.274 -3.093 15.413 1.00 23.31 H new ATOM 0 HD3 LYS A 10 15.981 -2.722 13.854 1.00 23.31 H new ATOM 0 HE2 LYS A 10 16.589 -0.998 16.268 1.00 65.32 H new ATOM 0 HE3 LYS A 10 17.453 -2.500 16.007 1.00 65.32 H new ATOM 0 HZ1 LYS A 10 18.635 -0.630 15.051 1.00 1.25 H new ATOM 0 HZ2 LYS A 10 18.139 -1.692 13.822 1.00 1.25 H new ATOM 0 HZ3 LYS A 10 17.301 -0.237 14.075 1.00 1.25 H new ATOM 150 N PRO A 11 11.474 -4.625 14.754 1.00 52.42 N ATOM 151 CA PRO A 11 10.435 -5.463 15.360 1.00 63.13 C ATOM 152 C PRO A 11 10.323 -5.250 16.865 1.00 4.14 C ATOM 153 O PRO A 11 9.229 -5.292 17.428 1.00 2.31 O ATOM 154 CB PRO A 11 10.907 -6.887 15.055 1.00 74.31 C ATOM 155 CG PRO A 11 12.383 -6.771 14.895 1.00 61.44 C ATOM 156 CD PRO A 11 12.629 -5.414 14.296 1.00 25.20 C ATOM 0 HA PRO A 11 9.445 -5.233 14.967 1.00 63.13 H new ATOM 0 HB2 PRO A 11 10.649 -7.571 15.863 1.00 74.31 H new ATOM 0 HB3 PRO A 11 10.440 -7.273 14.149 1.00 74.31 H new ATOM 0 HG2 PRO A 11 12.889 -6.871 15.855 1.00 61.44 H new ATOM 0 HG3 PRO A 11 12.769 -7.559 14.248 1.00 61.44 H new ATOM 0 HD2 PRO A 11 13.570 -4.987 14.642 1.00 25.20 H new ATOM 0 HD3 PRO A 11 12.680 -5.458 13.208 1.00 25.20 H new ATOM 164 N ARG A 12 11.462 -5.021 17.512 1.00 14.22 N ATOM 165 CA ARG A 12 11.491 -4.802 18.953 1.00 13.42 C ATOM 166 C ARG A 12 10.987 -3.404 19.301 1.00 43.21 C ATOM 167 O ARG A 12 10.173 -3.235 20.208 1.00 72.33 O ATOM 168 CB ARG A 12 12.910 -4.993 19.491 1.00 41.50 C ATOM 169 CG ARG A 12 13.025 -6.097 20.528 1.00 31.53 C ATOM 170 CD ARG A 12 13.189 -7.461 19.874 1.00 4.55 C ATOM 171 NE ARG A 12 14.531 -7.647 19.328 1.00 31.33 N ATOM 172 CZ ARG A 12 15.601 -7.891 20.076 1.00 24.40 C ATOM 173 NH1 ARG A 12 15.488 -7.978 21.394 1.00 34.31 N ATOM 174 NH2 ARG A 12 16.789 -8.050 19.505 1.00 12.23 N ATOM 0 H ARG A 12 12.376 -4.982 17.061 1.00 14.22 H new ATOM 0 HA ARG A 12 10.831 -5.534 19.420 1.00 13.42 H new ATOM 0 HB2 ARG A 12 13.578 -5.217 18.659 1.00 41.50 H new ATOM 0 HB3 ARG A 12 13.252 -4.056 19.931 1.00 41.50 H new ATOM 0 HG2 ARG A 12 13.877 -5.899 21.178 1.00 31.53 H new ATOM 0 HG3 ARG A 12 12.136 -6.099 21.159 1.00 31.53 H new ATOM 0 HD2 ARG A 12 12.984 -8.242 20.607 1.00 4.55 H new ATOM 0 HD3 ARG A 12 12.454 -7.572 19.076 1.00 4.55 H new ATOM 0 HE ARG A 12 14.653 -7.586 18.317 1.00 31.33 H new ATOM 0 HH11 ARG A 12 14.577 -7.857 21.837 1.00 34.31 H new ATOM 0 HH12 ARG A 12 16.312 -8.166 21.965 1.00 34.31 H new ATOM 0 HH21 ARG A 12 16.880 -7.985 18.491 1.00 12.23 H new ATOM 0 HH22 ARG A 12 17.610 -8.237 20.080 1.00 12.23 H new ATOM 188 N GLU A 13 11.479 -2.405 18.573 1.00 33.45 N ATOM 189 CA GLU A 13 11.079 -1.023 18.807 1.00 42.43 C ATOM 190 C GLU A 13 9.651 -0.780 18.326 1.00 64.25 C ATOM 191 O GLU A 13 9.018 0.207 18.699 1.00 65.20 O ATOM 192 CB GLU A 13 12.038 -0.065 18.096 1.00 11.34 C ATOM 193 CG GLU A 13 13.220 0.360 18.952 1.00 35.43 C ATOM 194 CD GLU A 13 14.200 1.237 18.199 1.00 0.51 C ATOM 195 OE1 GLU A 13 13.802 1.823 17.170 1.00 30.12 O ATOM 196 OE2 GLU A 13 15.365 1.339 18.638 1.00 54.01 O ATOM 0 H GLU A 13 12.154 -2.528 17.818 1.00 33.45 H new ATOM 0 HA GLU A 13 11.119 -0.837 19.880 1.00 42.43 H new ATOM 0 HB2 GLU A 13 12.410 -0.543 17.190 1.00 11.34 H new ATOM 0 HB3 GLU A 13 11.487 0.823 17.785 1.00 11.34 H new ATOM 0 HG2 GLU A 13 12.855 0.898 19.827 1.00 35.43 H new ATOM 0 HG3 GLU A 13 13.738 -0.527 19.316 1.00 35.43 H new ATOM 203 N ALA A 14 9.152 -1.688 17.494 1.00 75.32 N ATOM 204 CA ALA A 14 7.799 -1.575 16.962 1.00 0.13 C ATOM 205 C ALA A 14 6.762 -1.950 18.016 1.00 50.44 C ATOM 206 O ALA A 14 5.710 -1.318 18.118 1.00 14.30 O ATOM 207 CB ALA A 14 7.642 -2.451 15.729 1.00 74.35 C ATOM 0 H ALA A 14 9.664 -2.510 17.174 1.00 75.32 H new ATOM 0 HA ALA A 14 7.632 -0.536 16.679 1.00 0.13 H new ATOM 0 HB1 ALA A 14 6.627 -2.357 15.343 1.00 74.35 H new ATOM 0 HB2 ALA A 14 8.352 -2.135 14.965 1.00 74.35 H new ATOM 0 HB3 ALA A 14 7.834 -3.491 15.994 1.00 74.35 H new ATOM 213 N LEU A 15 7.065 -2.981 18.796 1.00 13.02 N ATOM 214 CA LEU A 15 6.158 -3.441 19.842 1.00 12.23 C ATOM 215 C LEU A 15 6.074 -2.424 20.976 1.00 1.11 C ATOM 216 O LEU A 15 5.009 -2.212 21.557 1.00 31.34 O ATOM 217 CB LEU A 15 6.621 -4.793 20.388 1.00 54.12 C ATOM 218 CG LEU A 15 5.716 -5.438 21.438 1.00 20.12 C ATOM 219 CD1 LEU A 15 6.116 -4.990 22.835 1.00 2.13 C ATOM 220 CD2 LEU A 15 4.257 -5.101 21.165 1.00 24.24 C ATOM 0 H LEU A 15 7.931 -3.515 18.724 1.00 13.02 H new ATOM 0 HA LEU A 15 5.166 -3.553 19.405 1.00 12.23 H new ATOM 0 HB2 LEU A 15 6.723 -5.484 19.552 1.00 54.12 H new ATOM 0 HB3 LEU A 15 7.613 -4.667 20.821 1.00 54.12 H new ATOM 0 HG LEU A 15 5.835 -6.520 21.377 1.00 20.12 H new ATOM 0 HD11 LEU A 15 5.461 -5.459 23.569 1.00 2.13 H new ATOM 0 HD12 LEU A 15 7.148 -5.283 23.030 1.00 2.13 H new ATOM 0 HD13 LEU A 15 6.027 -3.906 22.909 1.00 2.13 H new ATOM 0 HD21 LEU A 15 3.628 -5.569 21.922 1.00 24.24 H new ATOM 0 HD22 LEU A 15 4.121 -4.020 21.197 1.00 24.24 H new ATOM 0 HD23 LEU A 15 3.976 -5.473 20.180 1.00 24.24 H new ATOM 232 N LEU A 16 7.203 -1.795 21.285 1.00 61.45 N ATOM 233 CA LEU A 16 7.258 -0.798 22.348 1.00 54.03 C ATOM 234 C LEU A 16 6.684 0.534 21.875 1.00 75.21 C ATOM 235 O LEU A 16 6.001 1.229 22.627 1.00 33.55 O ATOM 236 CB LEU A 16 8.700 -0.606 22.820 1.00 12.30 C ATOM 237 CG LEU A 16 9.617 0.174 21.877 1.00 14.41 C ATOM 238 CD1 LEU A 16 9.371 1.669 22.009 1.00 12.43 C ATOM 239 CD2 LEU A 16 11.075 -0.155 22.158 1.00 24.00 C ATOM 0 H LEU A 16 8.093 -1.958 20.814 1.00 61.45 H new ATOM 0 HA LEU A 16 6.654 -1.158 23.181 1.00 54.03 H new ATOM 0 HB2 LEU A 16 8.681 -0.094 23.782 1.00 12.30 H new ATOM 0 HB3 LEU A 16 9.139 -1.589 22.991 1.00 12.30 H new ATOM 0 HG LEU A 16 9.390 -0.122 20.853 1.00 14.41 H new ATOM 0 HD11 LEU A 16 10.032 2.208 21.331 1.00 12.43 H new ATOM 0 HD12 LEU A 16 8.334 1.891 21.757 1.00 12.43 H new ATOM 0 HD13 LEU A 16 9.570 1.981 23.034 1.00 12.43 H new ATOM 0 HD21 LEU A 16 11.713 0.409 21.478 1.00 24.00 H new ATOM 0 HD22 LEU A 16 11.316 0.112 23.187 1.00 24.00 H new ATOM 0 HD23 LEU A 16 11.242 -1.222 22.011 1.00 24.00 H new ATOM 251 N TRP A 17 6.963 0.882 20.624 1.00 23.32 N ATOM 252 CA TRP A 17 6.473 2.130 20.050 1.00 35.52 C ATOM 253 C TRP A 17 4.970 2.060 19.800 1.00 0.05 C ATOM 254 O TRP A 17 4.262 3.058 19.936 1.00 64.32 O ATOM 255 CB TRP A 17 7.206 2.437 18.743 1.00 34.34 C ATOM 256 CG TRP A 17 6.755 3.711 18.095 1.00 23.11 C ATOM 257 CD1 TRP A 17 6.520 4.906 18.713 1.00 45.13 C ATOM 258 CD2 TRP A 17 6.484 3.915 16.704 1.00 1.53 C ATOM 259 NE1 TRP A 17 6.120 5.842 17.789 1.00 35.54 N ATOM 260 CE2 TRP A 17 6.090 5.259 16.550 1.00 41.10 C ATOM 261 CE3 TRP A 17 6.538 3.095 15.574 1.00 12.41 C ATOM 262 CZ2 TRP A 17 5.751 5.798 15.312 1.00 62.55 C ATOM 263 CZ3 TRP A 17 6.201 3.631 14.346 1.00 52.22 C ATOM 264 CH2 TRP A 17 5.812 4.972 14.222 1.00 64.20 C ATOM 0 H TRP A 17 7.526 0.318 19.988 1.00 23.32 H new ATOM 0 HA TRP A 17 6.667 2.931 20.764 1.00 35.52 H new ATOM 0 HB2 TRP A 17 8.276 2.497 18.940 1.00 34.34 H new ATOM 0 HB3 TRP A 17 7.056 1.611 18.048 1.00 34.34 H new ATOM 0 HD1 TRP A 17 6.632 5.089 19.772 1.00 45.13 H new ATOM 0 HE1 TRP A 17 5.884 6.813 17.993 1.00 35.54 H new ATOM 0 HE3 TRP A 17 6.838 2.061 15.659 1.00 12.41 H new ATOM 0 HZ2 TRP A 17 5.451 6.831 15.215 1.00 62.55 H new ATOM 0 HZ3 TRP A 17 6.238 3.006 13.466 1.00 52.22 H new ATOM 0 HH2 TRP A 17 5.555 5.361 13.248 1.00 64.20 H new ATOM 275 N ALA A 18 4.489 0.876 19.436 1.00 63.04 N ATOM 276 CA ALA A 18 3.070 0.677 19.169 1.00 21.15 C ATOM 277 C ALA A 18 2.265 0.669 20.464 1.00 35.32 C ATOM 278 O ALA A 18 1.286 1.404 20.604 1.00 43.24 O ATOM 279 CB ALA A 18 2.854 -0.619 18.403 1.00 73.52 C ATOM 0 H ALA A 18 5.061 0.040 19.319 1.00 63.04 H new ATOM 0 HA ALA A 18 2.720 1.509 18.559 1.00 21.15 H new ATOM 0 HB1 ALA A 18 1.790 -0.755 18.210 1.00 73.52 H new ATOM 0 HB2 ALA A 18 3.391 -0.576 17.456 1.00 73.52 H new ATOM 0 HB3 ALA A 18 3.226 -1.457 18.993 1.00 73.52 H new ATOM 285 N LEU A 19 2.681 -0.167 21.409 1.00 74.30 N ATOM 286 CA LEU A 19 1.997 -0.272 22.693 1.00 11.35 C ATOM 287 C LEU A 19 1.946 1.082 23.395 1.00 74.14 C ATOM 288 O LEU A 19 1.122 1.301 24.283 1.00 50.33 O ATOM 289 CB LEU A 19 2.701 -1.295 23.586 1.00 33.14 C ATOM 290 CG LEU A 19 4.143 -0.968 23.974 1.00 64.34 C ATOM 291 CD1 LEU A 19 4.180 0.162 24.990 1.00 42.51 C ATOM 292 CD2 LEU A 19 4.841 -2.204 24.523 1.00 63.14 C ATOM 0 H LEU A 19 3.489 -0.782 21.310 1.00 74.30 H new ATOM 0 HA LEU A 19 0.975 -0.603 22.506 1.00 11.35 H new ATOM 0 HB2 LEU A 19 2.118 -1.412 24.499 1.00 33.14 H new ATOM 0 HB3 LEU A 19 2.693 -2.259 23.077 1.00 33.14 H new ATOM 0 HG LEU A 19 4.674 -0.642 23.080 1.00 64.34 H new ATOM 0 HD11 LEU A 19 5.215 0.380 25.254 1.00 42.51 H new ATOM 0 HD12 LEU A 19 3.719 1.052 24.561 1.00 42.51 H new ATOM 0 HD13 LEU A 19 3.632 -0.135 25.885 1.00 42.51 H new ATOM 0 HD21 LEU A 19 5.866 -1.953 24.794 1.00 63.14 H new ATOM 0 HD22 LEU A 19 4.309 -2.560 25.405 1.00 63.14 H new ATOM 0 HD23 LEU A 19 4.848 -2.986 23.763 1.00 63.14 H new ATOM 304 N SER A 20 2.830 1.987 22.988 1.00 51.10 N ATOM 305 CA SER A 20 2.887 3.319 23.578 1.00 14.33 C ATOM 306 C SER A 20 2.001 4.293 22.807 1.00 0.30 C ATOM 307 O SER A 20 1.606 5.336 23.328 1.00 13.33 O ATOM 308 CB SER A 20 4.329 3.830 23.599 1.00 55.10 C ATOM 309 OG SER A 20 4.626 4.567 22.425 1.00 35.34 O ATOM 0 H SER A 20 3.517 1.822 22.252 1.00 51.10 H new ATOM 0 HA SER A 20 2.518 3.252 24.602 1.00 14.33 H new ATOM 0 HB2 SER A 20 4.482 4.459 24.476 1.00 55.10 H new ATOM 0 HB3 SER A 20 5.015 2.988 23.687 1.00 55.10 H new ATOM 0 HG SER A 20 4.484 4.000 21.638 1.00 35.34 H new ATOM 315 N ASP A 21 1.694 3.945 21.562 1.00 12.14 N ATOM 316 CA ASP A 21 0.854 4.787 20.718 1.00 22.10 C ATOM 317 C ASP A 21 -0.588 4.790 21.216 1.00 4.24 C ATOM 318 O ASP A 21 -1.414 5.576 20.752 1.00 15.32 O ATOM 319 CB ASP A 21 0.905 4.303 19.268 1.00 35.00 C ATOM 320 CG ASP A 21 1.448 5.358 18.324 1.00 32.32 C ATOM 321 OD1 ASP A 21 1.249 6.559 18.600 1.00 4.14 O ATOM 322 OD2 ASP A 21 2.071 4.982 17.309 1.00 75.22 O ATOM 0 H ASP A 21 2.014 3.086 21.115 1.00 12.14 H new ATOM 0 HA ASP A 21 1.238 5.806 20.767 1.00 22.10 H new ATOM 0 HB2 ASP A 21 1.528 3.411 19.208 1.00 35.00 H new ATOM 0 HB3 ASP A 21 -0.097 4.015 18.949 1.00 35.00 H new ATOM 327 N LEU A 22 -0.883 3.906 22.163 1.00 2.20 N ATOM 328 CA LEU A 22 -2.226 3.806 22.724 1.00 24.03 C ATOM 329 C LEU A 22 -2.244 4.269 24.178 1.00 53.15 C ATOM 330 O LEU A 22 -1.225 4.224 24.866 1.00 75.20 O ATOM 331 CB LEU A 22 -2.733 2.366 22.629 1.00 12.15 C ATOM 332 CG LEU A 22 -1.664 1.274 22.663 1.00 64.25 C ATOM 333 CD1 LEU A 22 -2.115 0.111 23.532 1.00 73.42 C ATOM 334 CD2 LEU A 22 -1.345 0.796 21.253 1.00 10.51 C ATOM 0 H LEU A 22 -0.211 3.249 22.558 1.00 2.20 H new ATOM 0 HA LEU A 22 -2.884 4.455 22.147 1.00 24.03 H new ATOM 0 HB2 LEU A 22 -3.428 2.192 23.451 1.00 12.15 H new ATOM 0 HB3 LEU A 22 -3.300 2.262 21.704 1.00 12.15 H new ATOM 0 HG LEU A 22 -0.757 1.694 23.097 1.00 64.25 H new ATOM 0 HD11 LEU A 22 -1.341 -0.656 23.544 1.00 73.42 H new ATOM 0 HD12 LEU A 22 -2.292 0.463 24.548 1.00 73.42 H new ATOM 0 HD13 LEU A 22 -3.036 -0.309 23.128 1.00 73.42 H new ATOM 0 HD21 LEU A 22 -0.582 0.019 21.296 1.00 10.51 H new ATOM 0 HD22 LEU A 22 -2.247 0.394 20.792 1.00 10.51 H new ATOM 0 HD23 LEU A 22 -0.977 1.633 20.660 1.00 10.51 H new ATOM 346 N GLU A 23 -3.410 4.712 24.637 1.00 14.22 N ATOM 347 CA GLU A 23 -3.561 5.182 26.009 1.00 10.13 C ATOM 348 C GLU A 23 -3.344 4.043 27.001 1.00 34.13 C ATOM 349 O GLU A 23 -3.654 2.888 26.712 1.00 20.30 O ATOM 350 CB GLU A 23 -4.949 5.793 26.213 1.00 2.41 C ATOM 351 CG GLU A 23 -5.140 7.120 25.498 1.00 14.31 C ATOM 352 CD GLU A 23 -6.597 7.535 25.417 1.00 21.52 C ATOM 353 OE1 GLU A 23 -7.468 6.640 25.385 1.00 43.32 O ATOM 354 OE2 GLU A 23 -6.865 8.754 25.387 1.00 73.14 O ATOM 0 H GLU A 23 -4.263 4.755 24.080 1.00 14.22 H new ATOM 0 HA GLU A 23 -2.806 5.947 26.189 1.00 10.13 H new ATOM 0 HB2 GLU A 23 -5.702 5.088 25.861 1.00 2.41 H new ATOM 0 HB3 GLU A 23 -5.121 5.937 27.280 1.00 2.41 H new ATOM 0 HG2 GLU A 23 -4.574 7.893 26.018 1.00 14.31 H new ATOM 0 HG3 GLU A 23 -4.730 7.048 24.491 1.00 14.31 H new ATOM 361 N GLU A 24 -2.810 4.379 28.171 1.00 21.54 N ATOM 362 CA GLU A 24 -2.550 3.384 29.205 1.00 35.44 C ATOM 363 C GLU A 24 -3.832 2.647 29.585 1.00 2.04 C ATOM 364 O GLU A 24 -3.803 1.466 29.928 1.00 62.22 O ATOM 365 CB GLU A 24 -1.945 4.048 30.443 1.00 0.34 C ATOM 366 CG GLU A 24 -2.949 4.847 31.258 1.00 62.11 C ATOM 367 CD GLU A 24 -3.510 6.030 30.494 1.00 53.22 C ATOM 368 OE1 GLU A 24 -2.735 6.959 30.184 1.00 72.23 O ATOM 369 OE2 GLU A 24 -4.726 6.027 30.206 1.00 64.02 O ATOM 0 H GLU A 24 -2.549 5.331 28.426 1.00 21.54 H new ATOM 0 HA GLU A 24 -1.839 2.660 28.806 1.00 35.44 H new ATOM 0 HB2 GLU A 24 -1.504 3.280 31.078 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -1.135 4.708 30.132 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -3.767 4.194 31.561 1.00 62.11 H new ATOM 0 HG3 GLU A 24 -2.470 5.202 32.170 1.00 62.11 H new ATOM 376 N ASN A 25 -4.955 3.355 29.523 1.00 70.24 N ATOM 377 CA ASN A 25 -6.247 2.769 29.861 1.00 12.41 C ATOM 378 C ASN A 25 -6.725 1.830 28.757 1.00 2.45 C ATOM 379 O ASN A 25 -7.823 1.279 28.830 1.00 70.31 O ATOM 380 CB ASN A 25 -7.284 3.870 30.094 1.00 40.34 C ATOM 381 CG ASN A 25 -7.924 4.344 28.803 1.00 61.21 C ATOM 382 OD1 ASN A 25 -8.885 3.746 28.318 1.00 40.51 O ATOM 383 ND2 ASN A 25 -7.392 5.422 28.240 1.00 40.50 N ATOM 0 H ASN A 25 -4.996 4.335 29.242 1.00 70.24 H new ATOM 0 HA ASN A 25 -6.127 2.191 30.778 1.00 12.41 H new ATOM 0 HB2 ASN A 25 -8.058 3.500 30.766 1.00 40.34 H new ATOM 0 HB3 ASN A 25 -6.808 4.715 30.592 1.00 40.34 H new ATOM 0 HD21 ASN A 25 -7.780 5.787 27.370 1.00 40.50 H new ATOM 0 HD22 ASN A 25 -6.596 5.886 28.678 1.00 40.50 H new ATOM 390 N ASP A 26 -5.892 1.654 27.738 1.00 73.45 N ATOM 391 CA ASP A 26 -6.228 0.780 26.619 1.00 11.11 C ATOM 392 C ASP A 26 -5.345 -0.464 26.617 1.00 41.22 C ATOM 393 O ASP A 26 -5.841 -1.590 26.659 1.00 3.04 O ATOM 394 CB ASP A 26 -6.077 1.530 25.295 1.00 41.50 C ATOM 395 CG ASP A 26 -7.085 2.653 25.148 1.00 43.54 C ATOM 396 OD1 ASP A 26 -7.305 3.386 26.135 1.00 70.42 O ATOM 397 OD2 ASP A 26 -7.654 2.800 24.045 1.00 23.34 O ATOM 0 H ASP A 26 -4.980 2.104 27.663 1.00 73.45 H new ATOM 0 HA ASP A 26 -7.266 0.467 26.734 1.00 11.11 H new ATOM 0 HB2 ASP A 26 -5.069 1.939 25.225 1.00 41.50 H new ATOM 0 HB3 ASP A 26 -6.195 0.829 24.468 1.00 41.50 H new ATOM 402 N PHE A 27 -4.034 -0.252 26.566 1.00 60.31 N ATOM 403 CA PHE A 27 -3.081 -1.356 26.556 1.00 73.32 C ATOM 404 C PHE A 27 -3.247 -2.229 27.797 1.00 41.14 C ATOM 405 O PHE A 27 -3.137 -3.453 27.728 1.00 22.32 O ATOM 406 CB PHE A 27 -1.650 -0.822 26.482 1.00 45.31 C ATOM 407 CG PHE A 27 -0.805 -1.205 27.663 1.00 1.33 C ATOM 408 CD1 PHE A 27 -0.751 -0.393 28.785 1.00 23.41 C ATOM 409 CD2 PHE A 27 -0.065 -2.376 27.652 1.00 43.02 C ATOM 410 CE1 PHE A 27 0.025 -0.743 29.874 1.00 23.12 C ATOM 411 CE2 PHE A 27 0.713 -2.731 28.738 1.00 73.10 C ATOM 412 CZ PHE A 27 0.759 -1.913 29.850 1.00 33.10 C ATOM 0 H PHE A 27 -3.607 0.674 26.531 1.00 60.31 H new ATOM 0 HA PHE A 27 -3.279 -1.966 25.675 1.00 73.32 H new ATOM 0 HB2 PHE A 27 -1.179 -1.194 25.572 1.00 45.31 H new ATOM 0 HB3 PHE A 27 -1.680 0.265 26.404 1.00 45.31 H new ATOM 0 HD1 PHE A 27 -1.322 0.524 28.809 1.00 23.41 H new ATOM 0 HD2 PHE A 27 -0.096 -3.019 26.785 1.00 43.02 H new ATOM 0 HE1 PHE A 27 0.057 -0.102 30.743 1.00 23.12 H new ATOM 0 HE2 PHE A 27 1.284 -3.647 28.717 1.00 73.10 H new ATOM 0 HZ PHE A 27 1.368 -2.188 30.699 1.00 33.10 H new ATOM 422 N LYS A 28 -3.512 -1.590 28.931 1.00 42.31 N ATOM 423 CA LYS A 28 -3.694 -2.305 30.188 1.00 23.13 C ATOM 424 C LYS A 28 -4.938 -3.185 30.138 1.00 33.53 C ATOM 425 O LYS A 28 -4.916 -4.336 30.576 1.00 2.02 O ATOM 426 CB LYS A 28 -3.802 -1.316 31.351 1.00 53.43 C ATOM 427 CG LYS A 28 -4.333 -1.937 32.631 1.00 23.21 C ATOM 428 CD LYS A 28 -4.378 -0.926 33.764 1.00 33.25 C ATOM 429 CE LYS A 28 -5.654 -0.099 33.723 1.00 72.33 C ATOM 430 NZ LYS A 28 -5.418 1.307 34.154 1.00 74.53 N ATOM 0 H LYS A 28 -3.606 -0.577 29.005 1.00 42.31 H new ATOM 0 HA LYS A 28 -2.824 -2.944 30.342 1.00 23.13 H new ATOM 0 HB2 LYS A 28 -2.818 -0.888 31.546 1.00 53.43 H new ATOM 0 HB3 LYS A 28 -4.455 -0.494 31.058 1.00 53.43 H new ATOM 0 HG2 LYS A 28 -5.333 -2.334 32.456 1.00 23.21 H new ATOM 0 HG3 LYS A 28 -3.702 -2.778 32.918 1.00 23.21 H new ATOM 0 HD2 LYS A 28 -4.311 -1.446 34.720 1.00 33.25 H new ATOM 0 HD3 LYS A 28 -3.513 -0.266 33.699 1.00 33.25 H new ATOM 0 HE2 LYS A 28 -6.059 -0.106 32.711 1.00 72.33 H new ATOM 0 HE3 LYS A 28 -6.404 -0.556 34.369 1.00 72.33 H new ATOM 0 HZ1 LYS A 28 -6.312 1.838 34.112 1.00 74.53 H new ATOM 0 HZ2 LYS A 28 -5.056 1.315 35.129 1.00 74.53 H new ATOM 0 HZ3 LYS A 28 -4.722 1.751 33.522 1.00 74.53 H new ATOM 444 N LYS A 29 -6.023 -2.638 29.601 1.00 72.32 N ATOM 445 CA LYS A 29 -7.277 -3.374 29.490 1.00 32.04 C ATOM 446 C LYS A 29 -7.072 -4.691 28.748 1.00 1.24 C ATOM 447 O LYS A 29 -7.569 -5.736 29.169 1.00 32.30 O ATOM 448 CB LYS A 29 -8.327 -2.527 28.767 1.00 32.35 C ATOM 449 CG LYS A 29 -9.489 -2.112 29.653 1.00 31.54 C ATOM 450 CD LYS A 29 -9.037 -1.182 30.767 1.00 72.15 C ATOM 451 CE LYS A 29 -10.165 -0.270 31.223 1.00 35.12 C ATOM 452 NZ LYS A 29 -10.458 0.794 30.223 1.00 3.13 N ATOM 0 H LYS A 29 -6.059 -1.686 29.235 1.00 72.32 H new ATOM 0 HA LYS A 29 -7.629 -3.596 30.497 1.00 32.04 H new ATOM 0 HB2 LYS A 29 -7.848 -1.633 28.368 1.00 32.35 H new ATOM 0 HB3 LYS A 29 -8.712 -3.089 27.916 1.00 32.35 H new ATOM 0 HG2 LYS A 29 -10.249 -1.616 29.049 1.00 31.54 H new ATOM 0 HG3 LYS A 29 -9.954 -2.999 30.084 1.00 31.54 H new ATOM 0 HD2 LYS A 29 -8.680 -1.771 31.612 1.00 72.15 H new ATOM 0 HD3 LYS A 29 -8.197 -0.579 30.421 1.00 72.15 H new ATOM 0 HE2 LYS A 29 -11.063 -0.863 31.396 1.00 35.12 H new ATOM 0 HE3 LYS A 29 -9.898 0.190 32.175 1.00 35.12 H new ATOM 0 HZ1 LYS A 29 -10.796 1.647 30.713 1.00 3.13 H new ATOM 0 HZ2 LYS A 29 -9.593 1.019 29.692 1.00 3.13 H new ATOM 0 HZ3 LYS A 29 -11.191 0.460 29.565 1.00 3.13 H new ATOM 466 N LEU A 30 -6.336 -4.634 27.644 1.00 50.31 N ATOM 467 CA LEU A 30 -6.063 -5.823 26.844 1.00 54.42 C ATOM 468 C LEU A 30 -5.116 -6.767 27.577 1.00 12.00 C ATOM 469 O LEU A 30 -5.422 -7.944 27.770 1.00 65.00 O ATOM 470 CB LEU A 30 -5.463 -5.426 25.494 1.00 61.31 C ATOM 471 CG LEU A 30 -5.636 -3.963 25.086 1.00 51.11 C ATOM 472 CD1 LEU A 30 -4.994 -3.707 23.731 1.00 14.11 C ATOM 473 CD2 LEU A 30 -7.111 -3.588 25.059 1.00 4.31 C ATOM 0 H LEU A 30 -5.917 -3.777 27.282 1.00 50.31 H new ATOM 0 HA LEU A 30 -7.006 -6.343 26.677 1.00 54.42 H new ATOM 0 HB2 LEU A 30 -4.397 -5.654 25.512 1.00 61.31 H new ATOM 0 HB3 LEU A 30 -5.910 -6.053 24.722 1.00 61.31 H new ATOM 0 HG LEU A 30 -5.136 -3.338 25.826 1.00 51.11 H new ATOM 0 HD11 LEU A 30 -5.127 -2.660 23.457 1.00 14.11 H new ATOM 0 HD12 LEU A 30 -3.930 -3.936 23.784 1.00 14.11 H new ATOM 0 HD13 LEU A 30 -5.465 -4.341 22.980 1.00 14.11 H new ATOM 0 HD21 LEU A 30 -7.215 -2.543 24.767 1.00 4.31 H new ATOM 0 HD22 LEU A 30 -7.634 -4.220 24.341 1.00 4.31 H new ATOM 0 HD23 LEU A 30 -7.541 -3.732 26.050 1.00 4.31 H new ATOM 485 N LYS A 31 -3.966 -6.243 27.986 1.00 43.13 N ATOM 486 CA LYS A 31 -2.974 -7.037 28.701 1.00 10.04 C ATOM 487 C LYS A 31 -3.572 -7.640 29.968 1.00 24.54 C ATOM 488 O LYS A 31 -3.140 -8.698 30.428 1.00 63.04 O ATOM 489 CB LYS A 31 -1.761 -6.175 29.058 1.00 42.15 C ATOM 490 CG LYS A 31 -0.963 -5.719 27.848 1.00 2.34 C ATOM 491 CD LYS A 31 -0.479 -6.898 27.022 1.00 74.42 C ATOM 492 CE LYS A 31 0.346 -6.442 25.828 1.00 34.02 C ATOM 493 NZ LYS A 31 1.684 -7.095 25.797 1.00 52.41 N ATOM 0 H LYS A 31 -3.698 -5.271 27.834 1.00 43.13 H new ATOM 0 HA LYS A 31 -2.655 -7.849 28.047 1.00 10.04 H new ATOM 0 HB2 LYS A 31 -2.098 -5.299 29.612 1.00 42.15 H new ATOM 0 HB3 LYS A 31 -1.107 -6.740 29.723 1.00 42.15 H new ATOM 0 HG2 LYS A 31 -1.580 -5.069 27.228 1.00 2.34 H new ATOM 0 HG3 LYS A 31 -0.108 -5.129 28.177 1.00 2.34 H new ATOM 0 HD2 LYS A 31 0.120 -7.560 27.647 1.00 74.42 H new ATOM 0 HD3 LYS A 31 -1.335 -7.476 26.674 1.00 74.42 H new ATOM 0 HE2 LYS A 31 -0.191 -6.670 24.907 1.00 34.02 H new ATOM 0 HE3 LYS A 31 0.471 -5.360 25.865 1.00 34.02 H new ATOM 0 HZ1 LYS A 31 2.425 -6.374 25.911 1.00 52.41 H new ATOM 0 HZ2 LYS A 31 1.751 -7.786 26.571 1.00 52.41 H new ATOM 0 HZ3 LYS A 31 1.812 -7.581 24.887 1.00 52.41 H new ATOM 507 N PHE A 32 -4.568 -6.963 30.528 1.00 12.41 N ATOM 508 CA PHE A 32 -5.226 -7.433 31.742 1.00 5.40 C ATOM 509 C PHE A 32 -5.926 -8.766 31.500 1.00 60.43 C ATOM 510 O PHE A 32 -5.810 -9.695 32.300 1.00 75.12 O ATOM 511 CB PHE A 32 -6.236 -6.395 32.234 1.00 14.15 C ATOM 512 CG PHE A 32 -7.136 -6.904 33.324 1.00 23.33 C ATOM 513 CD1 PHE A 32 -6.616 -7.265 34.557 1.00 33.12 C ATOM 514 CD2 PHE A 32 -8.500 -7.022 33.116 1.00 15.32 C ATOM 515 CE1 PHE A 32 -7.442 -7.735 35.561 1.00 4.23 C ATOM 516 CE2 PHE A 32 -9.331 -7.490 34.117 1.00 61.52 C ATOM 517 CZ PHE A 32 -8.801 -7.847 35.341 1.00 3.53 C ATOM 0 H PHE A 32 -4.938 -6.086 30.161 1.00 12.41 H new ATOM 0 HA PHE A 32 -4.463 -7.578 32.507 1.00 5.40 H new ATOM 0 HB2 PHE A 32 -5.698 -5.520 32.597 1.00 14.15 H new ATOM 0 HB3 PHE A 32 -6.847 -6.067 31.393 1.00 14.15 H new ATOM 0 HD1 PHE A 32 -5.554 -7.178 34.735 1.00 33.12 H new ATOM 0 HD2 PHE A 32 -8.920 -6.745 32.160 1.00 15.32 H new ATOM 0 HE1 PHE A 32 -7.025 -8.015 36.517 1.00 4.23 H new ATOM 0 HE2 PHE A 32 -10.393 -7.576 33.942 1.00 61.52 H new ATOM 0 HZ PHE A 32 -9.448 -8.213 36.125 1.00 3.53 H new ATOM 527 N TYR A 33 -6.653 -8.853 30.391 1.00 24.11 N ATOM 528 CA TYR A 33 -7.375 -10.071 30.044 1.00 63.31 C ATOM 529 C TYR A 33 -6.541 -10.954 29.120 1.00 30.23 C ATOM 530 O TYR A 33 -6.309 -12.129 29.408 1.00 60.33 O ATOM 531 CB TYR A 33 -8.706 -9.727 29.374 1.00 42.32 C ATOM 532 CG TYR A 33 -9.886 -10.474 29.952 1.00 72.01 C ATOM 533 CD1 TYR A 33 -10.249 -10.317 31.284 1.00 42.52 C ATOM 534 CD2 TYR A 33 -10.639 -11.337 29.166 1.00 75.24 C ATOM 535 CE1 TYR A 33 -11.326 -10.998 31.816 1.00 20.02 C ATOM 536 CE2 TYR A 33 -11.719 -12.022 29.689 1.00 12.32 C ATOM 537 CZ TYR A 33 -12.058 -11.849 31.015 1.00 72.20 C ATOM 538 OH TYR A 33 -13.133 -12.529 31.541 1.00 2.22 O ATOM 0 H TYR A 33 -6.758 -8.094 29.717 1.00 24.11 H new ATOM 0 HA TYR A 33 -7.571 -10.621 30.964 1.00 63.31 H new ATOM 0 HB2 TYR A 33 -8.884 -8.656 29.467 1.00 42.32 H new ATOM 0 HB3 TYR A 33 -8.634 -9.946 28.309 1.00 42.32 H new ATOM 0 HD1 TYR A 33 -9.679 -9.651 31.914 1.00 42.52 H new ATOM 0 HD2 TYR A 33 -10.376 -11.475 28.128 1.00 75.24 H new ATOM 0 HE1 TYR A 33 -11.594 -10.865 32.854 1.00 20.02 H new ATOM 0 HE2 TYR A 33 -12.294 -12.689 29.064 1.00 12.32 H new ATOM 0 HH TYR A 33 -13.541 -13.085 30.845 1.00 2.22 H new ATOM 548 N LEU A 34 -6.092 -10.380 28.010 1.00 55.42 N ATOM 549 CA LEU A 34 -5.283 -11.113 27.042 1.00 12.52 C ATOM 550 C LEU A 34 -4.093 -11.781 27.723 1.00 41.30 C ATOM 551 O LEU A 34 -3.938 -13.001 27.668 1.00 52.23 O ATOM 552 CB LEU A 34 -4.793 -10.171 25.941 1.00 61.23 C ATOM 553 CG LEU A 34 -5.792 -9.867 24.824 1.00 51.11 C ATOM 554 CD1 LEU A 34 -6.058 -11.112 23.992 1.00 14.11 C ATOM 555 CD2 LEU A 34 -7.090 -9.323 25.403 1.00 2.41 C ATOM 0 H LEU A 34 -6.274 -9.409 27.757 1.00 55.42 H new ATOM 0 HA LEU A 34 -5.906 -11.889 26.597 1.00 12.52 H new ATOM 0 HB2 LEU A 34 -4.496 -9.229 26.402 1.00 61.23 H new ATOM 0 HB3 LEU A 34 -3.898 -10.603 25.493 1.00 61.23 H new ATOM 0 HG LEU A 34 -5.360 -9.106 24.174 1.00 51.11 H new ATOM 0 HD11 LEU A 34 -6.771 -10.876 23.202 1.00 14.11 H new ATOM 0 HD12 LEU A 34 -5.125 -11.458 23.547 1.00 14.11 H new ATOM 0 HD13 LEU A 34 -6.469 -11.895 24.630 1.00 14.11 H new ATOM 0 HD21 LEU A 34 -7.789 -9.112 24.594 1.00 2.41 H new ATOM 0 HD22 LEU A 34 -7.526 -10.061 26.076 1.00 2.41 H new ATOM 0 HD23 LEU A 34 -6.886 -8.405 25.954 1.00 2.41 H new ATOM 567 N ARG A 35 -3.256 -10.973 28.366 1.00 21.32 N ATOM 568 CA ARG A 35 -2.080 -11.487 29.059 1.00 51.53 C ATOM 569 C ARG A 35 -2.480 -12.476 30.149 1.00 12.24 C ATOM 570 O ARG A 35 -1.818 -13.494 30.351 1.00 32.10 O ATOM 571 CB ARG A 35 -1.278 -10.335 29.669 1.00 72.33 C ATOM 572 CG ARG A 35 0.227 -10.516 29.558 1.00 11.21 C ATOM 573 CD ARG A 35 0.954 -9.850 30.716 1.00 63.50 C ATOM 574 NE ARG A 35 0.294 -8.620 31.143 1.00 51.34 N ATOM 575 CZ ARG A 35 -0.500 -8.542 32.205 1.00 50.13 C ATOM 576 NH1 ARG A 35 -0.731 -9.618 32.945 1.00 44.35 N ATOM 577 NH2 ARG A 35 -1.065 -7.386 32.529 1.00 2.20 N ATOM 0 H ARG A 35 -3.370 -9.961 28.422 1.00 21.32 H new ATOM 0 HA ARG A 35 -1.459 -12.008 28.331 1.00 51.53 H new ATOM 0 HB2 ARG A 35 -1.561 -9.405 29.176 1.00 72.33 H new ATOM 0 HB3 ARG A 35 -1.547 -10.233 30.720 1.00 72.33 H new ATOM 0 HG2 ARG A 35 0.467 -11.579 29.540 1.00 11.21 H new ATOM 0 HG3 ARG A 35 0.577 -10.094 28.616 1.00 11.21 H new ATOM 0 HD2 ARG A 35 1.008 -10.542 31.556 1.00 63.50 H new ATOM 0 HD3 ARG A 35 1.979 -9.627 30.420 1.00 63.50 H new ATOM 0 HE ARG A 35 0.451 -7.774 30.596 1.00 51.34 H new ATOM 0 HH11 ARG A 35 -0.298 -10.508 32.699 1.00 44.35 H new ATOM 0 HH12 ARG A 35 -1.341 -9.555 33.760 1.00 44.35 H new ATOM 0 HH21 ARG A 35 -0.890 -6.556 31.962 1.00 2.20 H new ATOM 0 HH22 ARG A 35 -1.675 -7.327 33.345 1.00 2.20 H new ATOM 591 N ASP A 36 -3.566 -12.169 30.850 1.00 53.41 N ATOM 592 CA ASP A 36 -4.055 -13.030 31.920 1.00 72.52 C ATOM 593 C ASP A 36 -4.133 -14.482 31.456 1.00 51.41 C ATOM 594 O ASP A 36 -3.627 -15.384 32.122 1.00 63.23 O ATOM 595 CB ASP A 36 -5.431 -12.559 32.395 1.00 64.40 C ATOM 596 CG ASP A 36 -5.391 -11.972 33.792 1.00 45.31 C ATOM 597 OD1 ASP A 36 -4.363 -12.147 34.481 1.00 74.24 O ATOM 598 OD2 ASP A 36 -6.386 -11.336 34.196 1.00 0.42 O ATOM 0 H ASP A 36 -4.125 -11.330 30.696 1.00 53.41 H new ATOM 0 HA ASP A 36 -3.352 -12.970 32.751 1.00 72.52 H new ATOM 0 HB2 ASP A 36 -5.816 -11.812 31.701 1.00 64.40 H new ATOM 0 HB3 ASP A 36 -6.126 -13.399 32.377 1.00 64.40 H new ATOM 603 N MET A 37 -4.772 -14.698 30.311 1.00 43.14 N ATOM 604 CA MET A 37 -4.916 -16.040 29.758 1.00 43.31 C ATOM 605 C MET A 37 -3.740 -16.382 28.848 1.00 11.02 C ATOM 606 O MET A 37 -2.963 -17.292 29.136 1.00 24.54 O ATOM 607 CB MET A 37 -6.228 -16.156 28.980 1.00 31.14 C ATOM 608 CG MET A 37 -6.766 -14.821 28.493 1.00 13.53 C ATOM 609 SD MET A 37 -8.108 -15.005 27.303 1.00 41.12 S ATOM 610 CE MET A 37 -8.001 -13.446 26.428 1.00 0.51 C ATOM 0 H MET A 37 -5.198 -13.962 29.748 1.00 43.14 H new ATOM 0 HA MET A 37 -4.929 -16.748 30.587 1.00 43.31 H new ATOM 0 HB2 MET A 37 -6.076 -16.812 28.123 1.00 31.14 H new ATOM 0 HB3 MET A 37 -6.977 -16.630 29.615 1.00 31.14 H new ATOM 0 HG2 MET A 37 -7.120 -14.243 29.347 1.00 13.53 H new ATOM 0 HG3 MET A 37 -5.956 -14.252 28.036 1.00 13.53 H new ATOM 0 HE1 MET A 37 -8.905 -13.298 25.837 1.00 0.51 H new ATOM 0 HE2 MET A 37 -7.900 -12.632 27.146 1.00 0.51 H new ATOM 0 HE3 MET A 37 -7.133 -13.458 25.768 1.00 0.51 H new ATOM 620 N THR A 38 -3.616 -15.647 27.747 1.00 4.24 N ATOM 621 CA THR A 38 -2.536 -15.874 26.795 1.00 50.40 C ATOM 622 C THR A 38 -1.205 -16.077 27.510 1.00 14.03 C ATOM 623 O THR A 38 -0.381 -16.891 27.091 1.00 53.20 O ATOM 624 CB THR A 38 -2.401 -14.698 25.808 1.00 32.44 C ATOM 625 OG1 THR A 38 -1.952 -13.527 26.500 1.00 72.53 O ATOM 626 CG2 THR A 38 -3.729 -14.411 25.124 1.00 70.42 C ATOM 0 H THR A 38 -4.250 -14.890 27.493 1.00 4.24 H new ATOM 0 HA THR A 38 -2.789 -16.778 26.241 1.00 50.40 H new ATOM 0 HB THR A 38 -1.670 -14.973 25.047 1.00 32.44 H new ATOM 0 HG1 THR A 38 -2.466 -13.419 27.328 1.00 72.53 H new ATOM 0 HG21 THR A 38 -3.609 -13.577 24.432 1.00 70.42 H new ATOM 0 HG22 THR A 38 -4.054 -15.295 24.575 1.00 70.42 H new ATOM 0 HG23 THR A 38 -4.477 -14.155 25.874 1.00 70.42 H new ATOM 634 N LEU A 39 -1.001 -15.334 28.592 1.00 11.42 N ATOM 635 CA LEU A 39 0.231 -15.433 29.367 1.00 32.13 C ATOM 636 C LEU A 39 -0.073 -15.610 30.852 1.00 63.24 C ATOM 637 O LEU A 39 -1.229 -15.761 31.245 1.00 12.23 O ATOM 638 CB LEU A 39 1.091 -14.186 29.156 1.00 24.33 C ATOM 639 CG LEU A 39 1.797 -14.078 27.804 1.00 74.42 C ATOM 640 CD1 LEU A 39 0.877 -13.445 26.772 1.00 41.55 C ATOM 641 CD2 LEU A 39 3.085 -13.279 27.936 1.00 15.20 C ATOM 0 H LEU A 39 -1.673 -14.656 28.953 1.00 11.42 H new ATOM 0 HA LEU A 39 0.780 -16.308 29.020 1.00 32.13 H new ATOM 0 HB2 LEU A 39 0.459 -13.307 29.284 1.00 24.33 H new ATOM 0 HB3 LEU A 39 1.846 -14.153 29.941 1.00 24.33 H new ATOM 0 HG LEU A 39 2.051 -15.083 27.467 1.00 74.42 H new ATOM 0 HD11 LEU A 39 1.396 -13.376 25.816 1.00 41.55 H new ATOM 0 HD12 LEU A 39 -0.017 -14.058 26.657 1.00 41.55 H new ATOM 0 HD13 LEU A 39 0.592 -12.446 27.103 1.00 41.55 H new ATOM 0 HD21 LEU A 39 3.573 -13.213 26.964 1.00 15.20 H new ATOM 0 HD22 LEU A 39 2.856 -12.276 28.296 1.00 15.20 H new ATOM 0 HD23 LEU A 39 3.750 -13.775 28.643 1.00 15.20 H new ATOM 653 N SER A 40 0.974 -15.589 31.671 1.00 53.00 N ATOM 654 CA SER A 40 0.819 -15.749 33.112 1.00 5.22 C ATOM 655 C SER A 40 0.606 -14.398 33.789 1.00 72.12 C ATOM 656 O SER A 40 -0.498 -14.082 34.232 1.00 62.13 O ATOM 657 CB SER A 40 2.049 -16.440 33.705 1.00 42.25 C ATOM 658 OG SER A 40 2.914 -16.906 32.683 1.00 12.20 O ATOM 0 H SER A 40 1.938 -15.463 31.361 1.00 53.00 H new ATOM 0 HA SER A 40 -0.060 -16.369 33.291 1.00 5.22 H new ATOM 0 HB2 SER A 40 2.585 -15.744 34.350 1.00 42.25 H new ATOM 0 HB3 SER A 40 1.735 -17.276 34.329 1.00 42.25 H new ATOM 0 HG SER A 40 3.693 -17.342 33.087 1.00 12.20 H new ATOM 664 N GLU A 41 1.671 -13.606 33.864 1.00 32.01 N ATOM 665 CA GLU A 41 1.600 -12.290 34.487 1.00 3.44 C ATOM 666 C GLU A 41 2.969 -11.616 34.492 1.00 5.13 C ATOM 667 O GLU A 41 3.266 -10.782 33.638 1.00 63.34 O ATOM 668 CB GLU A 41 1.072 -12.406 35.919 1.00 71.23 C ATOM 669 CG GLU A 41 -0.352 -11.902 36.085 1.00 61.32 C ATOM 670 CD GLU A 41 -0.470 -10.825 37.146 1.00 65.41 C ATOM 671 OE1 GLU A 41 -0.225 -11.131 38.332 1.00 43.24 O ATOM 672 OE2 GLU A 41 -0.806 -9.677 36.790 1.00 54.24 O ATOM 0 H GLU A 41 2.592 -13.853 33.501 1.00 32.01 H new ATOM 0 HA GLU A 41 0.914 -11.677 33.903 1.00 3.44 H new ATOM 0 HB2 GLU A 41 1.118 -13.449 36.231 1.00 71.23 H new ATOM 0 HB3 GLU A 41 1.727 -11.845 36.585 1.00 71.23 H new ATOM 0 HG2 GLU A 41 -0.708 -11.509 35.133 1.00 61.32 H new ATOM 0 HG3 GLU A 41 -1.001 -12.738 36.347 1.00 61.32 H new ATOM 679 N GLY A 42 3.800 -11.984 35.463 1.00 3.10 N ATOM 680 CA GLY A 42 5.128 -11.406 35.562 1.00 14.43 C ATOM 681 C GLY A 42 5.093 -9.900 35.738 1.00 74.41 C ATOM 682 O GLY A 42 6.113 -9.229 35.590 1.00 40.40 O ATOM 0 H GLY A 42 3.577 -12.672 36.183 1.00 3.10 H new ATOM 0 HA2 GLY A 42 5.655 -11.855 36.404 1.00 14.43 H new ATOM 0 HA3 GLY A 42 5.695 -11.651 34.664 1.00 14.43 H new ATOM 686 N GLN A 43 3.915 -9.370 36.053 1.00 62.23 N ATOM 687 CA GLN A 43 3.752 -7.934 36.246 1.00 72.21 C ATOM 688 C GLN A 43 2.680 -7.644 37.292 1.00 61.15 C ATOM 689 O GLN A 43 1.877 -8.506 37.649 1.00 63.42 O ATOM 690 CB GLN A 43 3.387 -7.259 34.923 1.00 14.50 C ATOM 691 CG GLN A 43 1.898 -6.996 34.765 1.00 74.24 C ATOM 692 CD GLN A 43 1.559 -6.337 33.442 1.00 13.55 C ATOM 693 OE1 GLN A 43 2.167 -6.821 32.366 1.00 51.31 O flip ATOM 694 NE2 GLN A 43 0.759 -5.402 33.389 1.00 51.41 N flip ATOM 0 H GLN A 43 3.061 -9.913 36.180 1.00 62.23 H new ATOM 0 HA GLN A 43 4.700 -7.530 36.602 1.00 72.21 H new ATOM 0 HB2 GLN A 43 3.925 -6.314 34.846 1.00 14.50 H new ATOM 0 HB3 GLN A 43 3.726 -7.886 34.099 1.00 14.50 H new ATOM 0 HG2 GLN A 43 1.356 -7.938 34.847 1.00 74.24 H new ATOM 0 HG3 GLN A 43 1.557 -6.360 35.582 1.00 74.24 H new ATOM 0 HE21 GLN A 43 0.315 -5.062 34.242 1.00 51.41 H new ATOM 0 HE22 GLN A 43 0.541 -4.968 32.492 1.00 51.41 H new ATOM 703 N PRO A 44 2.665 -6.401 37.795 1.00 24.14 N ATOM 704 CA PRO A 44 1.697 -5.969 38.807 1.00 1.44 C ATOM 705 C PRO A 44 0.282 -5.864 38.249 1.00 62.15 C ATOM 706 O PRO A 44 0.056 -5.964 37.042 1.00 23.14 O ATOM 707 CB PRO A 44 2.211 -4.588 39.223 1.00 2.00 C ATOM 708 CG PRO A 44 2.982 -4.101 38.045 1.00 3.43 C ATOM 709 CD PRO A 44 3.593 -5.322 37.416 1.00 73.14 C ATOM 0 HA PRO A 44 1.625 -6.679 39.631 1.00 1.44 H new ATOM 0 HB2 PRO A 44 1.388 -3.915 39.463 1.00 2.00 H new ATOM 0 HB3 PRO A 44 2.841 -4.651 40.110 1.00 2.00 H new ATOM 0 HG2 PRO A 44 2.332 -3.583 37.340 1.00 3.43 H new ATOM 0 HG3 PRO A 44 3.752 -3.392 38.349 1.00 3.43 H new ATOM 0 HD2 PRO A 44 3.671 -5.220 36.334 1.00 73.14 H new ATOM 0 HD3 PRO A 44 4.599 -5.507 37.792 1.00 73.14 H new ATOM 717 N PRO A 45 -0.695 -5.658 39.144 1.00 41.40 N ATOM 718 CA PRO A 45 -2.105 -5.534 38.763 1.00 41.13 C ATOM 719 C PRO A 45 -2.390 -4.240 38.007 1.00 21.42 C ATOM 720 O PRO A 45 -1.469 -3.545 37.576 1.00 22.41 O ATOM 721 CB PRO A 45 -2.838 -5.541 40.107 1.00 43.24 C ATOM 722 CG PRO A 45 -1.834 -5.042 41.088 1.00 40.11 C ATOM 723 CD PRO A 45 -0.498 -5.528 40.598 1.00 72.34 C ATOM 0 HA PRO A 45 -2.416 -6.331 38.088 1.00 41.13 H new ATOM 0 HB2 PRO A 45 -3.719 -4.900 40.081 1.00 43.24 H new ATOM 0 HB3 PRO A 45 -3.181 -6.543 40.366 1.00 43.24 H new ATOM 0 HG2 PRO A 45 -1.855 -3.954 41.148 1.00 40.11 H new ATOM 0 HG3 PRO A 45 -2.044 -5.421 42.088 1.00 40.11 H new ATOM 0 HD2 PRO A 45 0.298 -4.822 40.834 1.00 72.34 H new ATOM 0 HD3 PRO A 45 -0.225 -6.480 41.053 1.00 72.34 H new ATOM 731 N LEU A 46 -3.670 -3.922 37.850 1.00 30.23 N ATOM 732 CA LEU A 46 -4.077 -2.711 37.147 1.00 44.42 C ATOM 733 C LEU A 46 -3.252 -1.512 37.605 1.00 32.04 C ATOM 734 O LEU A 46 -3.199 -1.201 38.795 1.00 70.41 O ATOM 735 CB LEU A 46 -5.564 -2.439 37.377 1.00 53.25 C ATOM 736 CG LEU A 46 -6.510 -3.610 37.109 1.00 22.44 C ATOM 737 CD1 LEU A 46 -7.609 -3.659 38.159 1.00 21.43 C ATOM 738 CD2 LEU A 46 -7.107 -3.506 35.714 1.00 72.23 C ATOM 0 H LEU A 46 -4.444 -4.486 38.200 1.00 30.23 H new ATOM 0 HA LEU A 46 -3.903 -2.863 36.082 1.00 44.42 H new ATOM 0 HB2 LEU A 46 -5.699 -2.118 38.410 1.00 53.25 H new ATOM 0 HB3 LEU A 46 -5.863 -1.604 36.743 1.00 53.25 H new ATOM 0 HG LEU A 46 -5.937 -4.535 37.168 1.00 22.44 H new ATOM 0 HD11 LEU A 46 -8.273 -4.499 37.952 1.00 21.43 H new ATOM 0 HD12 LEU A 46 -7.164 -3.783 39.146 1.00 21.43 H new ATOM 0 HD13 LEU A 46 -8.179 -2.731 38.132 1.00 21.43 H new ATOM 0 HD21 LEU A 46 -7.777 -4.348 35.541 1.00 72.23 H new ATOM 0 HD22 LEU A 46 -7.665 -2.574 35.626 1.00 72.23 H new ATOM 0 HD23 LEU A 46 -6.307 -3.522 34.974 1.00 72.23 H new ATOM 750 N ALA A 47 -2.612 -0.841 36.653 1.00 33.31 N ATOM 751 CA ALA A 47 -1.794 0.326 36.959 1.00 72.33 C ATOM 752 C ALA A 47 -1.630 1.217 35.732 1.00 3.24 C ATOM 753 O ALA A 47 -1.024 0.816 34.739 1.00 40.15 O ATOM 754 CB ALA A 47 -0.434 -0.107 37.486 1.00 41.44 C ATOM 0 H ALA A 47 -2.644 -1.086 35.663 1.00 33.31 H new ATOM 0 HA ALA A 47 -2.302 0.905 37.730 1.00 72.33 H new ATOM 0 HB1 ALA A 47 0.167 0.774 37.710 1.00 41.44 H new ATOM 0 HB2 ALA A 47 -0.566 -0.697 38.393 1.00 41.44 H new ATOM 0 HB3 ALA A 47 0.073 -0.709 36.732 1.00 41.44 H new ATOM 760 N ARG A 48 -2.173 2.428 35.809 1.00 33.53 N ATOM 761 CA ARG A 48 -2.088 3.375 34.704 1.00 31.24 C ATOM 762 C ARG A 48 -0.672 3.927 34.570 1.00 51.22 C ATOM 763 O ARG A 48 -0.299 4.460 33.525 1.00 32.14 O ATOM 764 CB ARG A 48 -3.077 4.523 34.912 1.00 53.23 C ATOM 765 CG ARG A 48 -2.819 5.329 36.174 1.00 0.12 C ATOM 766 CD ARG A 48 -4.118 5.732 36.854 1.00 55.04 C ATOM 767 NE ARG A 48 -4.078 5.499 38.295 1.00 62.12 N ATOM 768 CZ ARG A 48 -5.005 5.941 39.137 1.00 3.22 C ATOM 769 NH1 ARG A 48 -6.039 6.636 38.685 1.00 75.35 N ATOM 770 NH2 ARG A 48 -4.898 5.688 40.435 1.00 0.54 N ATOM 0 H ARG A 48 -2.676 2.776 36.625 1.00 33.53 H new ATOM 0 HA ARG A 48 -2.342 2.847 33.785 1.00 31.24 H new ATOM 0 HB2 ARG A 48 -3.033 5.189 34.050 1.00 53.23 H new ATOM 0 HB3 ARG A 48 -4.088 4.118 34.951 1.00 53.23 H new ATOM 0 HG2 ARG A 48 -2.213 4.742 36.864 1.00 0.12 H new ATOM 0 HG3 ARG A 48 -2.245 6.222 35.926 1.00 0.12 H new ATOM 0 HD2 ARG A 48 -4.315 6.787 36.663 1.00 55.04 H new ATOM 0 HD3 ARG A 48 -4.944 5.170 36.419 1.00 55.04 H new ATOM 0 HE ARG A 48 -3.295 4.968 38.676 1.00 62.12 H new ATOM 0 HH11 ARG A 48 -6.125 6.833 37.688 1.00 75.35 H new ATOM 0 HH12 ARG A 48 -6.749 6.974 39.334 1.00 75.35 H new ATOM 0 HH21 ARG A 48 -4.103 5.154 40.787 1.00 0.54 H new ATOM 0 HH22 ARG A 48 -5.610 6.028 41.081 1.00 0.54 H new ATOM 784 N GLY A 49 0.113 3.796 35.635 1.00 13.32 N ATOM 785 CA GLY A 49 1.478 4.288 35.616 1.00 61.53 C ATOM 786 C GLY A 49 2.429 3.328 34.928 1.00 5.42 C ATOM 787 O GLY A 49 3.620 3.612 34.799 1.00 71.21 O ATOM 0 H GLY A 49 -0.172 3.358 36.511 1.00 13.32 H new ATOM 0 HA2 GLY A 49 1.507 5.251 35.107 1.00 61.53 H new ATOM 0 HA3 GLY A 49 1.814 4.458 36.639 1.00 61.53 H new ATOM 791 N GLU A 50 1.904 2.190 34.488 1.00 73.42 N ATOM 792 CA GLU A 50 2.716 1.185 33.812 1.00 24.34 C ATOM 793 C GLU A 50 3.082 1.639 32.402 1.00 22.13 C ATOM 794 O GLU A 50 4.150 1.303 31.887 1.00 55.41 O ATOM 795 CB GLU A 50 1.971 -0.150 33.753 1.00 71.22 C ATOM 796 CG GLU A 50 2.673 -1.273 34.498 1.00 33.10 C ATOM 797 CD GLU A 50 1.891 -1.748 35.708 1.00 43.03 C ATOM 798 OE1 GLU A 50 0.974 -2.578 35.534 1.00 5.42 O ATOM 799 OE2 GLU A 50 2.198 -1.289 36.828 1.00 34.53 O ATOM 0 H GLU A 50 0.920 1.940 34.587 1.00 73.42 H new ATOM 0 HA GLU A 50 3.635 1.054 34.383 1.00 24.34 H new ATOM 0 HB2 GLU A 50 0.972 -0.018 34.170 1.00 71.22 H new ATOM 0 HB3 GLU A 50 1.845 -0.440 32.710 1.00 71.22 H new ATOM 0 HG2 GLU A 50 2.830 -2.111 33.820 1.00 33.10 H new ATOM 0 HG3 GLU A 50 3.658 -0.932 34.817 1.00 33.10 H new ATOM 806 N LEU A 51 2.189 2.403 31.783 1.00 4.32 N ATOM 807 CA LEU A 51 2.417 2.904 30.432 1.00 53.10 C ATOM 808 C LEU A 51 2.685 4.406 30.446 1.00 71.44 C ATOM 809 O LEU A 51 3.601 4.888 29.780 1.00 75.31 O ATOM 810 CB LEU A 51 1.209 2.598 29.544 1.00 45.22 C ATOM 811 CG LEU A 51 1.274 3.137 28.114 1.00 0.44 C ATOM 812 CD1 LEU A 51 0.500 2.233 27.167 1.00 3.34 C ATOM 813 CD2 LEU A 51 0.736 4.560 28.056 1.00 33.50 C ATOM 0 H LEU A 51 1.301 2.689 32.195 1.00 4.32 H new ATOM 0 HA LEU A 51 3.295 2.401 30.027 1.00 53.10 H new ATOM 0 HB2 LEU A 51 1.082 1.516 29.498 1.00 45.22 H new ATOM 0 HB3 LEU A 51 0.318 3.004 30.024 1.00 45.22 H new ATOM 0 HG LEU A 51 2.317 3.151 27.798 1.00 0.44 H new ATOM 0 HD11 LEU A 51 0.557 2.632 26.154 1.00 3.34 H new ATOM 0 HD12 LEU A 51 0.930 1.232 27.187 1.00 3.34 H new ATOM 0 HD13 LEU A 51 -0.543 2.186 27.480 1.00 3.34 H new ATOM 0 HD21 LEU A 51 0.790 4.928 27.031 1.00 33.50 H new ATOM 0 HD22 LEU A 51 -0.301 4.571 28.392 1.00 33.50 H new ATOM 0 HD23 LEU A 51 1.334 5.202 28.704 1.00 33.50 H new ATOM 825 N GLU A 52 1.881 5.138 31.210 1.00 1.31 N ATOM 826 CA GLU A 52 2.034 6.585 31.311 1.00 35.00 C ATOM 827 C GLU A 52 3.264 6.946 32.138 1.00 44.04 C ATOM 828 O GLU A 52 4.138 7.683 31.682 1.00 74.24 O ATOM 829 CB GLU A 52 0.784 7.209 31.937 1.00 44.35 C ATOM 830 CG GLU A 52 0.865 8.720 32.079 1.00 24.23 C ATOM 831 CD GLU A 52 -0.366 9.310 32.739 1.00 42.31 C ATOM 832 OE1 GLU A 52 -0.999 8.606 33.552 1.00 32.04 O ATOM 833 OE2 GLU A 52 -0.695 10.478 32.441 1.00 34.41 O ATOM 0 H GLU A 52 1.118 4.754 31.767 1.00 1.31 H new ATOM 0 HA GLU A 52 2.165 6.982 30.304 1.00 35.00 H new ATOM 0 HB2 GLU A 52 -0.083 6.956 31.327 1.00 44.35 H new ATOM 0 HB3 GLU A 52 0.621 6.768 32.920 1.00 44.35 H new ATOM 0 HG2 GLU A 52 1.747 8.979 32.665 1.00 24.23 H new ATOM 0 HG3 GLU A 52 0.994 9.168 31.094 1.00 24.23 H new ATOM 840 N GLY A 53 3.326 6.421 33.358 1.00 55.12 N ATOM 841 CA GLY A 53 4.452 6.699 34.230 1.00 51.55 C ATOM 842 C GLY A 53 5.749 6.116 33.705 1.00 31.22 C ATOM 843 O GLY A 53 6.719 6.841 33.481 1.00 51.04 O ATOM 0 H GLY A 53 2.616 5.808 33.758 1.00 55.12 H new ATOM 0 HA2 GLY A 53 4.562 7.777 34.344 1.00 51.55 H new ATOM 0 HA3 GLY A 53 4.249 6.293 35.221 1.00 51.55 H new ATOM 847 N LEU A 54 5.768 4.802 33.511 1.00 64.20 N ATOM 848 CA LEU A 54 6.957 4.120 33.011 1.00 23.11 C ATOM 849 C LEU A 54 7.121 4.340 31.511 1.00 41.33 C ATOM 850 O LEU A 54 6.441 5.179 30.919 1.00 74.42 O ATOM 851 CB LEU A 54 6.875 2.622 33.312 1.00 12.42 C ATOM 852 CG LEU A 54 6.621 2.244 34.772 1.00 43.30 C ATOM 853 CD1 LEU A 54 6.650 0.734 34.945 1.00 62.42 C ATOM 854 CD2 LEU A 54 7.647 2.907 35.680 1.00 31.43 C ATOM 0 H LEU A 54 4.974 4.188 33.692 1.00 64.20 H new ATOM 0 HA LEU A 54 7.826 4.539 33.518 1.00 23.11 H new ATOM 0 HB2 LEU A 54 6.080 2.192 32.703 1.00 12.42 H new ATOM 0 HB3 LEU A 54 7.808 2.156 32.994 1.00 12.42 H new ATOM 0 HG LEU A 54 5.631 2.602 35.054 1.00 43.30 H new ATOM 0 HD11 LEU A 54 6.467 0.484 35.990 1.00 62.42 H new ATOM 0 HD12 LEU A 54 5.877 0.282 34.323 1.00 62.42 H new ATOM 0 HD13 LEU A 54 7.626 0.352 34.646 1.00 62.42 H new ATOM 0 HD21 LEU A 54 7.451 2.627 36.715 1.00 31.43 H new ATOM 0 HD22 LEU A 54 8.648 2.579 35.398 1.00 31.43 H new ATOM 0 HD23 LEU A 54 7.578 3.990 35.578 1.00 31.43 H new ATOM 866 N ILE A 55 8.026 3.581 30.902 1.00 51.31 N ATOM 867 CA ILE A 55 8.276 3.692 29.470 1.00 20.31 C ATOM 868 C ILE A 55 7.977 2.377 28.757 1.00 43.30 C ATOM 869 O ILE A 55 7.929 1.309 29.366 1.00 31.34 O ATOM 870 CB ILE A 55 9.733 4.099 29.183 1.00 23.20 C ATOM 871 CG1 ILE A 55 10.700 3.180 29.933 1.00 72.43 C ATOM 872 CG2 ILE A 55 9.964 5.551 29.574 1.00 63.04 C ATOM 873 CD1 ILE A 55 12.135 3.656 29.900 1.00 10.44 C ATOM 0 H ILE A 55 8.598 2.883 31.378 1.00 51.31 H new ATOM 0 HA ILE A 55 7.610 4.468 29.092 1.00 20.31 H new ATOM 0 HB ILE A 55 9.919 3.996 28.114 1.00 23.20 H new ATOM 0 HG12 ILE A 55 10.377 3.096 30.971 1.00 72.43 H new ATOM 0 HG13 ILE A 55 10.647 2.181 29.501 1.00 72.43 H new ATOM 0 HG21 ILE A 55 10.998 5.824 29.365 1.00 63.04 H new ATOM 0 HG22 ILE A 55 9.296 6.193 29.000 1.00 63.04 H new ATOM 0 HG23 ILE A 55 9.763 5.678 30.638 1.00 63.04 H new ATOM 0 HD11 ILE A 55 12.763 2.956 30.451 1.00 10.44 H new ATOM 0 HD12 ILE A 55 12.476 3.713 28.866 1.00 10.44 H new ATOM 0 HD13 ILE A 55 12.202 4.642 30.359 1.00 10.44 H new ATOM 885 N PRO A 56 7.773 2.455 27.434 1.00 45.35 N ATOM 886 CA PRO A 56 7.478 1.281 26.607 1.00 24.25 C ATOM 887 C PRO A 56 8.681 0.354 26.467 1.00 42.24 C ATOM 888 O PRO A 56 8.556 -0.865 26.586 1.00 40.30 O ATOM 889 CB PRO A 56 7.107 1.885 25.251 1.00 3.31 C ATOM 890 CG PRO A 56 7.801 3.203 25.221 1.00 44.10 C ATOM 891 CD PRO A 56 7.816 3.696 26.642 1.00 70.04 C ATOM 0 HA PRO A 56 6.692 0.663 27.042 1.00 24.25 H new ATOM 0 HB2 PRO A 56 7.434 1.247 24.430 1.00 3.31 H new ATOM 0 HB3 PRO A 56 6.028 2.003 25.152 1.00 3.31 H new ATOM 0 HG2 PRO A 56 8.814 3.102 24.832 1.00 44.10 H new ATOM 0 HG3 PRO A 56 7.279 3.904 24.570 1.00 44.10 H new ATOM 0 HD2 PRO A 56 8.712 4.278 26.856 1.00 70.04 H new ATOM 0 HD3 PRO A 56 6.961 4.338 26.854 1.00 70.04 H new ATOM 899 N VAL A 57 9.847 0.940 26.212 1.00 22.13 N ATOM 900 CA VAL A 57 11.073 0.167 26.057 1.00 64.52 C ATOM 901 C VAL A 57 11.379 -0.638 27.315 1.00 2.33 C ATOM 902 O VAL A 57 12.117 -1.623 27.271 1.00 13.50 O ATOM 903 CB VAL A 57 12.274 1.077 25.738 1.00 63.31 C ATOM 904 CG1 VAL A 57 13.547 0.255 25.605 1.00 21.41 C ATOM 905 CG2 VAL A 57 12.013 1.879 24.472 1.00 62.31 C ATOM 0 H VAL A 57 9.968 1.948 26.108 1.00 22.13 H new ATOM 0 HA VAL A 57 10.913 -0.516 25.223 1.00 64.52 H new ATOM 0 HB VAL A 57 12.407 1.777 26.563 1.00 63.31 H new ATOM 0 HG11 VAL A 57 14.385 0.915 25.380 1.00 21.41 H new ATOM 0 HG12 VAL A 57 13.740 -0.270 26.540 1.00 21.41 H new ATOM 0 HG13 VAL A 57 13.430 -0.470 24.800 1.00 21.41 H new ATOM 0 HG21 VAL A 57 12.872 2.516 24.262 1.00 62.31 H new ATOM 0 HG22 VAL A 57 11.853 1.198 23.636 1.00 62.31 H new ATOM 0 HG23 VAL A 57 11.127 2.498 24.610 1.00 62.31 H new ATOM 915 N ASP A 58 10.807 -0.212 28.436 1.00 4.01 N ATOM 916 CA ASP A 58 11.017 -0.893 29.708 1.00 23.52 C ATOM 917 C ASP A 58 9.989 -2.002 29.907 1.00 74.31 C ATOM 918 O ASP A 58 10.343 -3.172 30.061 1.00 74.14 O ATOM 919 CB ASP A 58 10.940 0.104 30.865 1.00 54.43 C ATOM 920 CG ASP A 58 11.249 -0.536 32.204 1.00 45.34 C ATOM 921 OD1 ASP A 58 12.332 -1.144 32.333 1.00 21.14 O ATOM 922 OD2 ASP A 58 10.409 -0.429 33.121 1.00 20.14 O ATOM 0 H ASP A 58 10.194 0.602 28.489 1.00 4.01 H new ATOM 0 HA ASP A 58 12.010 -1.341 29.691 1.00 23.52 H new ATOM 0 HB2 ASP A 58 11.641 0.919 30.685 1.00 54.43 H new ATOM 0 HB3 ASP A 58 9.943 0.542 30.897 1.00 54.43 H new ATOM 927 N LEU A 59 8.714 -1.627 29.904 1.00 62.33 N ATOM 928 CA LEU A 59 7.633 -2.590 30.085 1.00 50.15 C ATOM 929 C LEU A 59 7.637 -3.630 28.968 1.00 1.44 C ATOM 930 O LEU A 59 7.290 -4.790 29.186 1.00 1.14 O ATOM 931 CB LEU A 59 6.284 -1.870 30.122 1.00 72.05 C ATOM 932 CG LEU A 59 5.306 -2.220 28.999 1.00 14.44 C ATOM 933 CD1 LEU A 59 3.890 -1.815 29.380 1.00 31.22 C ATOM 934 CD2 LEU A 59 5.723 -1.547 27.700 1.00 72.35 C ATOM 0 H LEU A 59 8.404 -0.663 29.778 1.00 62.33 H new ATOM 0 HA LEU A 59 7.791 -3.103 31.034 1.00 50.15 H new ATOM 0 HB2 LEU A 59 5.804 -2.088 31.076 1.00 72.05 H new ATOM 0 HB3 LEU A 59 6.467 -0.796 30.096 1.00 72.05 H new ATOM 0 HG LEU A 59 5.326 -3.299 28.849 1.00 14.44 H new ATOM 0 HD11 LEU A 59 3.208 -2.071 28.570 1.00 31.22 H new ATOM 0 HD12 LEU A 59 3.592 -2.343 30.286 1.00 31.22 H new ATOM 0 HD13 LEU A 59 3.854 -0.740 29.558 1.00 31.22 H new ATOM 0 HD21 LEU A 59 5.016 -1.807 26.912 1.00 72.35 H new ATOM 0 HD22 LEU A 59 5.732 -0.466 27.837 1.00 72.35 H new ATOM 0 HD23 LEU A 59 6.720 -1.885 27.419 1.00 72.35 H new ATOM 946 N ALA A 60 8.034 -3.205 27.773 1.00 22.42 N ATOM 947 CA ALA A 60 8.088 -4.101 26.624 1.00 12.50 C ATOM 948 C ALA A 60 9.080 -5.235 26.858 1.00 53.03 C ATOM 949 O ALA A 60 8.732 -6.409 26.739 1.00 72.30 O ATOM 950 CB ALA A 60 8.456 -3.325 25.368 1.00 62.12 C ATOM 0 H ALA A 60 8.323 -2.247 27.575 1.00 22.42 H new ATOM 0 HA ALA A 60 7.100 -4.541 26.490 1.00 12.50 H new ATOM 0 HB1 ALA A 60 8.493 -4.006 24.517 1.00 62.12 H new ATOM 0 HB2 ALA A 60 7.707 -2.555 25.184 1.00 62.12 H new ATOM 0 HB3 ALA A 60 9.432 -2.858 25.502 1.00 62.12 H new ATOM 956 N GLU A 61 10.316 -4.875 27.189 1.00 32.45 N ATOM 957 CA GLU A 61 11.358 -5.865 27.438 1.00 53.21 C ATOM 958 C GLU A 61 10.922 -6.856 28.513 1.00 75.11 C ATOM 959 O GLU A 61 11.333 -8.017 28.506 1.00 33.34 O ATOM 960 CB GLU A 61 12.656 -5.175 27.861 1.00 23.14 C ATOM 961 CG GLU A 61 12.778 -4.975 29.363 1.00 54.03 C ATOM 962 CD GLU A 61 14.124 -4.408 29.769 1.00 50.22 C ATOM 963 OE1 GLU A 61 14.601 -3.472 29.093 1.00 61.23 O ATOM 964 OE2 GLU A 61 14.700 -4.899 30.761 1.00 4.15 O ATOM 0 H GLU A 61 10.620 -3.907 27.291 1.00 32.45 H new ATOM 0 HA GLU A 61 11.531 -6.414 26.512 1.00 53.21 H new ATOM 0 HB2 GLU A 61 13.502 -5.766 27.512 1.00 23.14 H new ATOM 0 HB3 GLU A 61 12.720 -4.205 27.367 1.00 23.14 H new ATOM 0 HG2 GLU A 61 11.988 -4.304 29.702 1.00 54.03 H new ATOM 0 HG3 GLU A 61 12.623 -5.929 29.866 1.00 54.03 H new ATOM 971 N LEU A 62 10.087 -6.390 29.435 1.00 30.03 N ATOM 972 CA LEU A 62 9.594 -7.234 30.518 1.00 23.41 C ATOM 973 C LEU A 62 8.547 -8.219 30.008 1.00 64.15 C ATOM 974 O LEU A 62 8.577 -9.403 30.345 1.00 73.52 O ATOM 975 CB LEU A 62 8.999 -6.373 31.633 1.00 5.51 C ATOM 976 CG LEU A 62 8.126 -7.104 32.654 1.00 45.15 C ATOM 977 CD1 LEU A 62 8.303 -6.499 34.038 1.00 72.23 C ATOM 978 CD2 LEU A 62 6.665 -7.061 32.233 1.00 54.21 C ATOM 0 H LEU A 62 9.737 -5.432 29.454 1.00 30.03 H new ATOM 0 HA LEU A 62 10.436 -7.800 30.915 1.00 23.41 H new ATOM 0 HB2 LEU A 62 9.817 -5.888 32.166 1.00 5.51 H new ATOM 0 HB3 LEU A 62 8.404 -5.583 31.176 1.00 5.51 H new ATOM 0 HG LEU A 62 8.441 -8.147 32.694 1.00 45.15 H new ATOM 0 HD11 LEU A 62 7.674 -7.032 34.751 1.00 72.23 H new ATOM 0 HD12 LEU A 62 9.347 -6.583 34.341 1.00 72.23 H new ATOM 0 HD13 LEU A 62 8.015 -5.448 34.015 1.00 72.23 H new ATOM 0 HD21 LEU A 62 6.058 -7.586 32.971 1.00 54.21 H new ATOM 0 HD22 LEU A 62 6.336 -6.024 32.164 1.00 54.21 H new ATOM 0 HD23 LEU A 62 6.552 -7.542 31.262 1.00 54.21 H new ATOM 990 N LEU A 63 7.624 -7.723 29.191 1.00 5.21 N ATOM 991 CA LEU A 63 6.569 -8.559 28.631 1.00 33.31 C ATOM 992 C LEU A 63 7.151 -9.631 27.715 1.00 22.13 C ATOM 993 O LEU A 63 6.852 -10.816 27.862 1.00 32.42 O ATOM 994 CB LEU A 63 5.567 -7.701 27.857 1.00 11.52 C ATOM 995 CG LEU A 63 4.090 -7.947 28.168 1.00 3.04 C ATOM 996 CD1 LEU A 63 3.722 -9.397 27.895 1.00 20.04 C ATOM 997 CD2 LEU A 63 3.781 -7.579 29.612 1.00 11.12 C ATOM 0 H LEU A 63 7.585 -6.746 28.902 1.00 5.21 H new ATOM 0 HA LEU A 63 6.055 -9.052 29.456 1.00 33.31 H new ATOM 0 HB2 LEU A 63 5.789 -6.652 28.054 1.00 11.52 H new ATOM 0 HB3 LEU A 63 5.725 -7.866 26.791 1.00 11.52 H new ATOM 0 HG LEU A 63 3.490 -7.312 27.516 1.00 3.04 H new ATOM 0 HD11 LEU A 63 2.667 -9.554 28.122 1.00 20.04 H new ATOM 0 HD12 LEU A 63 3.906 -9.628 26.846 1.00 20.04 H new ATOM 0 HD13 LEU A 63 4.329 -10.051 28.522 1.00 20.04 H new ATOM 0 HD21 LEU A 63 2.726 -7.760 29.816 1.00 11.12 H new ATOM 0 HD22 LEU A 63 4.390 -8.188 30.281 1.00 11.12 H new ATOM 0 HD23 LEU A 63 4.006 -6.525 29.775 1.00 11.12 H new ATOM 1009 N ILE A 64 7.986 -9.207 26.772 1.00 15.54 N ATOM 1010 CA ILE A 64 8.612 -10.130 25.835 1.00 25.44 C ATOM 1011 C ILE A 64 9.425 -11.191 26.570 1.00 32.50 C ATOM 1012 O ILE A 64 9.499 -12.341 26.137 1.00 34.52 O ATOM 1013 CB ILE A 64 9.531 -9.391 24.845 1.00 4.22 C ATOM 1014 CG1 ILE A 64 10.616 -8.619 25.600 1.00 35.44 C ATOM 1015 CG2 ILE A 64 8.718 -8.450 23.969 1.00 74.53 C ATOM 1016 CD1 ILE A 64 11.923 -9.371 25.715 1.00 43.10 C ATOM 0 H ILE A 64 8.244 -8.229 26.637 1.00 15.54 H new ATOM 0 HA ILE A 64 7.806 -10.611 25.280 1.00 25.44 H new ATOM 0 HB ILE A 64 10.015 -10.127 24.203 1.00 4.22 H new ATOM 0 HG12 ILE A 64 10.795 -7.671 25.093 1.00 35.44 H new ATOM 0 HG13 ILE A 64 10.253 -8.382 26.600 1.00 35.44 H new ATOM 0 HG21 ILE A 64 9.382 -7.935 23.275 1.00 74.53 H new ATOM 0 HG22 ILE A 64 7.979 -9.022 23.408 1.00 74.53 H new ATOM 0 HG23 ILE A 64 8.210 -7.717 24.596 1.00 74.53 H new ATOM 0 HD11 ILE A 64 12.645 -8.764 26.261 1.00 43.10 H new ATOM 0 HD12 ILE A 64 11.758 -10.307 26.248 1.00 43.10 H new ATOM 0 HD13 ILE A 64 12.309 -9.584 24.718 1.00 43.10 H new ATOM 1028 N SER A 65 10.032 -10.797 27.685 1.00 71.51 N ATOM 1029 CA SER A 65 10.841 -11.714 28.480 1.00 71.13 C ATOM 1030 C SER A 65 9.958 -12.604 29.349 1.00 72.54 C ATOM 1031 O SER A 65 10.329 -13.729 29.684 1.00 31.34 O ATOM 1032 CB SER A 65 11.819 -10.933 29.359 1.00 2.11 C ATOM 1033 OG SER A 65 12.163 -11.671 30.519 1.00 44.11 O ATOM 0 H SER A 65 9.979 -9.849 28.058 1.00 71.51 H new ATOM 0 HA SER A 65 11.405 -12.348 27.796 1.00 71.13 H new ATOM 0 HB2 SER A 65 12.720 -10.703 28.790 1.00 2.11 H new ATOM 0 HB3 SER A 65 11.373 -9.982 29.648 1.00 2.11 H new ATOM 0 HG SER A 65 12.790 -11.151 31.064 1.00 44.11 H new ATOM 1039 N LYS A 66 8.786 -12.093 29.710 1.00 40.43 N ATOM 1040 CA LYS A 66 7.847 -12.839 30.538 1.00 21.45 C ATOM 1041 C LYS A 66 7.619 -14.239 29.976 1.00 54.30 C ATOM 1042 O LYS A 66 7.957 -15.237 30.612 1.00 4.12 O ATOM 1043 CB LYS A 66 6.515 -12.093 30.635 1.00 54.03 C ATOM 1044 CG LYS A 66 5.376 -12.947 31.165 1.00 71.25 C ATOM 1045 CD LYS A 66 5.665 -13.455 32.567 1.00 5.11 C ATOM 1046 CE LYS A 66 5.462 -14.959 32.669 1.00 51.34 C ATOM 1047 NZ LYS A 66 6.102 -15.524 33.888 1.00 24.13 N ATOM 0 H LYS A 66 8.464 -11.163 29.441 1.00 40.43 H new ATOM 0 HA LYS A 66 8.276 -12.933 31.535 1.00 21.45 H new ATOM 0 HB2 LYS A 66 6.640 -11.226 31.284 1.00 54.03 H new ATOM 0 HB3 LYS A 66 6.247 -11.716 29.648 1.00 54.03 H new ATOM 0 HG2 LYS A 66 4.455 -12.364 31.171 1.00 71.25 H new ATOM 0 HG3 LYS A 66 5.213 -13.793 30.497 1.00 71.25 H new ATOM 0 HD2 LYS A 66 6.690 -13.206 32.841 1.00 5.11 H new ATOM 0 HD3 LYS A 66 5.013 -12.950 33.280 1.00 5.11 H new ATOM 0 HE2 LYS A 66 4.395 -15.181 32.683 1.00 51.34 H new ATOM 0 HE3 LYS A 66 5.877 -15.442 31.784 1.00 51.34 H new ATOM 0 HZ1 LYS A 66 5.941 -16.551 33.920 1.00 24.13 H new ATOM 0 HZ2 LYS A 66 7.124 -15.335 33.863 1.00 24.13 H new ATOM 0 HZ3 LYS A 66 5.689 -15.082 34.734 1.00 24.13 H new ATOM 1061 N TYR A 67 7.044 -14.304 28.780 1.00 11.12 N ATOM 1062 CA TYR A 67 6.770 -15.581 28.133 1.00 74.22 C ATOM 1063 C TYR A 67 7.512 -15.689 26.805 1.00 65.44 C ATOM 1064 O TYR A 67 8.031 -16.749 26.455 1.00 50.34 O ATOM 1065 CB TYR A 67 5.266 -15.749 27.904 1.00 4.42 C ATOM 1066 CG TYR A 67 4.784 -17.173 28.066 1.00 43.45 C ATOM 1067 CD1 TYR A 67 4.997 -17.869 29.249 1.00 61.35 C ATOM 1068 CD2 TYR A 67 4.115 -17.821 27.035 1.00 52.11 C ATOM 1069 CE1 TYR A 67 4.559 -19.171 29.400 1.00 50.42 C ATOM 1070 CE2 TYR A 67 3.672 -19.122 27.178 1.00 52.42 C ATOM 1071 CZ TYR A 67 3.897 -19.792 28.362 1.00 73.31 C ATOM 1072 OH TYR A 67 3.457 -21.088 28.509 1.00 24.12 O ATOM 0 H TYR A 67 6.759 -13.487 28.239 1.00 11.12 H new ATOM 0 HA TYR A 67 7.122 -16.375 28.791 1.00 74.22 H new ATOM 0 HB2 TYR A 67 4.727 -15.110 28.603 1.00 4.42 H new ATOM 0 HB3 TYR A 67 5.019 -15.403 26.900 1.00 4.42 H new ATOM 0 HD1 TYR A 67 5.514 -17.385 30.064 1.00 61.35 H new ATOM 0 HD2 TYR A 67 3.938 -17.299 26.106 1.00 52.11 H new ATOM 0 HE1 TYR A 67 4.734 -19.699 30.326 1.00 50.42 H new ATOM 0 HE2 TYR A 67 3.153 -19.611 26.367 1.00 52.42 H new ATOM 0 HH TYR A 67 3.009 -21.377 27.686 1.00 24.12 H new ATOM 1082 N GLY A 68 7.560 -14.583 26.068 1.00 32.15 N ATOM 1083 CA GLY A 68 8.241 -14.573 24.787 1.00 23.13 C ATOM 1084 C GLY A 68 7.947 -13.322 23.984 1.00 44.30 C ATOM 1085 O GLY A 68 6.852 -12.768 24.066 1.00 52.41 O ATOM 0 H GLY A 68 7.139 -13.693 26.336 1.00 32.15 H new ATOM 0 HA2 GLY A 68 9.316 -14.652 24.950 1.00 23.13 H new ATOM 0 HA3 GLY A 68 7.940 -15.449 24.212 1.00 23.13 H new ATOM 1089 N GLU A 69 8.929 -12.875 23.207 1.00 40.12 N ATOM 1090 CA GLU A 69 8.770 -11.679 22.388 1.00 71.13 C ATOM 1091 C GLU A 69 7.743 -11.909 21.282 1.00 23.53 C ATOM 1092 O GLU A 69 7.088 -10.974 20.823 1.00 71.02 O ATOM 1093 CB GLU A 69 10.112 -11.271 21.776 1.00 55.23 C ATOM 1094 CG GLU A 69 10.778 -12.378 20.976 1.00 12.30 C ATOM 1095 CD GLU A 69 12.224 -12.597 21.376 1.00 41.34 C ATOM 1096 OE1 GLU A 69 12.465 -12.998 22.534 1.00 52.53 O ATOM 1097 OE2 GLU A 69 13.115 -12.367 20.531 1.00 32.12 O ATOM 0 H GLU A 69 9.842 -13.323 23.128 1.00 40.12 H new ATOM 0 HA GLU A 69 8.412 -10.875 23.031 1.00 71.13 H new ATOM 0 HB2 GLU A 69 9.959 -10.408 21.128 1.00 55.23 H new ATOM 0 HB3 GLU A 69 10.785 -10.956 22.574 1.00 55.23 H new ATOM 0 HG2 GLU A 69 10.222 -13.306 21.114 1.00 12.30 H new ATOM 0 HG3 GLU A 69 10.731 -12.133 19.915 1.00 12.30 H new ATOM 1104 N LYS A 70 7.609 -13.162 20.859 1.00 4.21 N ATOM 1105 CA LYS A 70 6.663 -13.518 19.808 1.00 2.15 C ATOM 1106 C LYS A 70 5.233 -13.204 20.235 1.00 12.22 C ATOM 1107 O LYS A 70 4.665 -12.188 19.834 1.00 23.33 O ATOM 1108 CB LYS A 70 6.789 -15.003 19.462 1.00 31.34 C ATOM 1109 CG LYS A 70 7.464 -15.262 18.126 1.00 11.54 C ATOM 1110 CD LYS A 70 8.958 -14.992 18.195 1.00 54.21 C ATOM 1111 CE LYS A 70 9.407 -14.060 17.080 1.00 3.54 C ATOM 1112 NZ LYS A 70 10.586 -14.600 16.347 1.00 14.42 N ATOM 0 H LYS A 70 8.144 -13.948 21.228 1.00 4.21 H new ATOM 0 HA LYS A 70 6.899 -12.924 18.925 1.00 2.15 H new ATOM 0 HB2 LYS A 70 7.354 -15.504 20.248 1.00 31.34 H new ATOM 0 HB3 LYS A 70 5.795 -15.450 19.450 1.00 31.34 H new ATOM 0 HG2 LYS A 70 7.294 -16.296 17.825 1.00 11.54 H new ATOM 0 HG3 LYS A 70 7.014 -14.629 17.361 1.00 11.54 H new ATOM 0 HD2 LYS A 70 9.205 -14.551 19.161 1.00 54.21 H new ATOM 0 HD3 LYS A 70 9.503 -15.934 18.125 1.00 54.21 H new ATOM 0 HE2 LYS A 70 8.584 -13.906 16.382 1.00 3.54 H new ATOM 0 HE3 LYS A 70 9.655 -13.085 17.499 1.00 3.54 H new ATOM 0 HZ1 LYS A 70 10.861 -13.936 15.595 1.00 14.42 H new ATOM 0 HZ2 LYS A 70 11.379 -14.723 17.008 1.00 14.42 H new ATOM 0 HZ3 LYS A 70 10.342 -15.519 15.925 1.00 14.42 H new ATOM 1126 N GLU A 71 4.657 -14.081 21.051 1.00 21.42 N ATOM 1127 CA GLU A 71 3.293 -13.896 21.532 1.00 41.31 C ATOM 1128 C GLU A 71 3.104 -12.493 22.102 1.00 35.15 C ATOM 1129 O GLU A 71 1.996 -11.957 22.104 1.00 10.22 O ATOM 1130 CB GLU A 71 2.957 -14.941 22.597 1.00 25.35 C ATOM 1131 CG GLU A 71 1.553 -14.806 23.161 1.00 20.54 C ATOM 1132 CD GLU A 71 0.940 -16.145 23.526 1.00 11.51 C ATOM 1133 OE1 GLU A 71 1.343 -16.719 24.559 1.00 13.04 O ATOM 1134 OE2 GLU A 71 0.058 -16.617 22.779 1.00 62.30 O ATOM 0 H GLU A 71 5.114 -14.927 21.393 1.00 21.42 H new ATOM 0 HA GLU A 71 2.617 -14.021 20.686 1.00 41.31 H new ATOM 0 HB2 GLU A 71 3.072 -15.936 22.167 1.00 25.35 H new ATOM 0 HB3 GLU A 71 3.676 -14.861 23.412 1.00 25.35 H new ATOM 0 HG2 GLU A 71 1.580 -14.170 24.046 1.00 20.54 H new ATOM 0 HG3 GLU A 71 0.918 -14.307 22.429 1.00 20.54 H new ATOM 1141 N ALA A 72 4.193 -11.906 22.587 1.00 52.53 N ATOM 1142 CA ALA A 72 4.148 -10.566 23.159 1.00 53.43 C ATOM 1143 C ALA A 72 3.425 -9.596 22.230 1.00 73.22 C ATOM 1144 O ALA A 72 2.375 -9.055 22.576 1.00 34.02 O ATOM 1145 CB ALA A 72 5.556 -10.069 23.451 1.00 51.22 C ATOM 0 H ALA A 72 5.117 -12.337 22.595 1.00 52.53 H new ATOM 0 HA ALA A 72 3.591 -10.616 24.094 1.00 53.43 H new ATOM 0 HB1 ALA A 72 5.507 -9.067 23.878 1.00 51.22 H new ATOM 0 HB2 ALA A 72 6.040 -10.742 24.159 1.00 51.22 H new ATOM 0 HB3 ALA A 72 6.131 -10.041 22.526 1.00 51.22 H new ATOM 1151 N VAL A 73 3.994 -9.380 21.048 1.00 31.30 N ATOM 1152 CA VAL A 73 3.403 -8.476 20.069 1.00 61.03 C ATOM 1153 C VAL A 73 1.976 -8.890 19.729 1.00 71.31 C ATOM 1154 O VAL A 73 1.061 -8.066 19.730 1.00 61.21 O ATOM 1155 CB VAL A 73 4.235 -8.431 18.773 1.00 0.43 C ATOM 1156 CG1 VAL A 73 3.387 -7.937 17.611 1.00 70.21 C ATOM 1157 CG2 VAL A 73 5.462 -7.551 18.959 1.00 24.33 C ATOM 0 H VAL A 73 4.864 -9.819 20.746 1.00 31.30 H new ATOM 0 HA VAL A 73 3.392 -7.484 20.521 1.00 61.03 H new ATOM 0 HB VAL A 73 4.572 -9.442 18.542 1.00 0.43 H new ATOM 0 HG11 VAL A 73 3.991 -7.912 16.704 1.00 70.21 H new ATOM 0 HG12 VAL A 73 2.542 -8.610 17.465 1.00 70.21 H new ATOM 0 HG13 VAL A 73 3.019 -6.935 17.830 1.00 70.21 H new ATOM 0 HG21 VAL A 73 6.038 -7.530 18.034 1.00 24.33 H new ATOM 0 HG22 VAL A 73 5.148 -6.539 19.214 1.00 24.33 H new ATOM 0 HG23 VAL A 73 6.079 -7.953 19.762 1.00 24.33 H new ATOM 1167 N LYS A 74 1.791 -10.174 19.439 1.00 45.33 N ATOM 1168 CA LYS A 74 0.475 -10.700 19.098 1.00 21.33 C ATOM 1169 C LYS A 74 -0.537 -10.384 20.194 1.00 34.14 C ATOM 1170 O LYS A 74 -1.698 -10.084 19.914 1.00 61.03 O ATOM 1171 CB LYS A 74 0.549 -12.213 18.879 1.00 43.03 C ATOM 1172 CG LYS A 74 1.535 -12.623 17.798 1.00 75.11 C ATOM 1173 CD LYS A 74 1.981 -14.065 17.968 1.00 30.45 C ATOM 1174 CE LYS A 74 1.289 -14.984 16.973 1.00 21.54 C ATOM 1175 NZ LYS A 74 0.194 -15.768 17.610 1.00 3.32 N ATOM 0 H LYS A 74 2.537 -10.870 19.434 1.00 45.33 H new ATOM 0 HA LYS A 74 0.147 -10.221 18.175 1.00 21.33 H new ATOM 0 HB2 LYS A 74 0.829 -12.694 19.816 1.00 43.03 H new ATOM 0 HB3 LYS A 74 -0.442 -12.582 18.615 1.00 43.03 H new ATOM 0 HG2 LYS A 74 1.075 -12.497 16.818 1.00 75.11 H new ATOM 0 HG3 LYS A 74 2.404 -11.966 17.829 1.00 75.11 H new ATOM 0 HD2 LYS A 74 3.061 -14.131 17.835 1.00 30.45 H new ATOM 0 HD3 LYS A 74 1.764 -14.397 18.983 1.00 30.45 H new ATOM 0 HE2 LYS A 74 0.882 -14.391 16.154 1.00 21.54 H new ATOM 0 HE3 LYS A 74 2.020 -15.667 16.540 1.00 21.54 H new ATOM 0 HZ1 LYS A 74 -0.370 -16.238 16.874 1.00 3.32 H new ATOM 0 HZ2 LYS A 74 0.603 -16.485 18.243 1.00 3.32 H new ATOM 0 HZ3 LYS A 74 -0.416 -15.129 18.159 1.00 3.32 H new ATOM 1189 N VAL A 75 -0.090 -10.452 21.444 1.00 33.14 N ATOM 1190 CA VAL A 75 -0.957 -10.171 22.583 1.00 43.53 C ATOM 1191 C VAL A 75 -1.426 -8.720 22.571 1.00 42.03 C ATOM 1192 O VAL A 75 -2.476 -8.391 23.123 1.00 63.00 O ATOM 1193 CB VAL A 75 -0.242 -10.456 23.917 1.00 63.34 C ATOM 1194 CG1 VAL A 75 -0.989 -9.809 25.073 1.00 44.45 C ATOM 1195 CG2 VAL A 75 -0.101 -11.955 24.135 1.00 73.21 C ATOM 0 H VAL A 75 0.868 -10.699 21.694 1.00 33.14 H new ATOM 0 HA VAL A 75 -1.820 -10.831 22.494 1.00 43.53 H new ATOM 0 HB VAL A 75 0.757 -10.022 23.874 1.00 63.34 H new ATOM 0 HG11 VAL A 75 -0.469 -10.022 26.007 1.00 44.45 H new ATOM 0 HG12 VAL A 75 -1.033 -8.731 24.920 1.00 44.45 H new ATOM 0 HG13 VAL A 75 -2.001 -10.210 25.122 1.00 44.45 H new ATOM 0 HG21 VAL A 75 0.406 -12.139 25.082 1.00 73.21 H new ATOM 0 HG22 VAL A 75 -1.089 -12.414 24.158 1.00 73.21 H new ATOM 0 HG23 VAL A 75 0.481 -12.388 23.322 1.00 73.21 H new ATOM 1205 N VAL A 76 -0.640 -7.855 21.937 1.00 55.04 N ATOM 1206 CA VAL A 76 -0.976 -6.439 21.851 1.00 42.33 C ATOM 1207 C VAL A 76 -2.006 -6.183 20.756 1.00 21.22 C ATOM 1208 O VAL A 76 -3.037 -5.553 20.994 1.00 52.02 O ATOM 1209 CB VAL A 76 0.274 -5.582 21.574 1.00 11.23 C ATOM 1210 CG1 VAL A 76 -0.114 -4.270 20.909 1.00 13.03 C ATOM 1211 CG2 VAL A 76 1.042 -5.329 22.863 1.00 73.10 C ATOM 0 H VAL A 76 0.233 -8.110 21.476 1.00 55.04 H new ATOM 0 HA VAL A 76 -1.397 -6.155 22.815 1.00 42.33 H new ATOM 0 HB VAL A 76 0.924 -6.129 20.891 1.00 11.23 H new ATOM 0 HG11 VAL A 76 0.782 -3.678 20.721 1.00 13.03 H new ATOM 0 HG12 VAL A 76 -0.617 -4.476 19.964 1.00 13.03 H new ATOM 0 HG13 VAL A 76 -0.785 -3.714 21.564 1.00 13.03 H new ATOM 0 HG21 VAL A 76 1.922 -4.722 22.649 1.00 73.10 H new ATOM 0 HG22 VAL A 76 0.402 -4.803 23.571 1.00 73.10 H new ATOM 0 HG23 VAL A 76 1.353 -6.281 23.294 1.00 73.10 H new ATOM 1221 N LEU A 77 -1.721 -6.677 19.556 1.00 3.33 N ATOM 1222 CA LEU A 77 -2.623 -6.503 18.423 1.00 0.33 C ATOM 1223 C LEU A 77 -3.920 -7.277 18.636 1.00 63.20 C ATOM 1224 O LEU A 77 -5.012 -6.718 18.542 1.00 55.23 O ATOM 1225 CB LEU A 77 -1.946 -6.964 17.131 1.00 30.25 C ATOM 1226 CG LEU A 77 -1.146 -8.264 17.220 1.00 5.05 C ATOM 1227 CD1 LEU A 77 -1.763 -9.333 16.332 1.00 44.10 C ATOM 1228 CD2 LEU A 77 0.307 -8.023 16.837 1.00 3.24 C ATOM 0 H LEU A 77 -0.872 -7.201 19.343 1.00 3.33 H new ATOM 0 HA LEU A 77 -2.864 -5.443 18.341 1.00 0.33 H new ATOM 0 HB2 LEU A 77 -2.713 -7.084 16.366 1.00 30.25 H new ATOM 0 HB3 LEU A 77 -1.278 -6.172 16.792 1.00 30.25 H new ATOM 0 HG LEU A 77 -1.176 -8.616 18.251 1.00 5.05 H new ATOM 0 HD11 LEU A 77 -1.180 -10.251 16.409 1.00 44.10 H new ATOM 0 HD12 LEU A 77 -2.787 -9.526 16.652 1.00 44.10 H new ATOM 0 HD13 LEU A 77 -1.765 -8.990 15.297 1.00 44.10 H new ATOM 0 HD21 LEU A 77 0.861 -8.959 16.906 1.00 3.24 H new ATOM 0 HD22 LEU A 77 0.356 -7.646 15.815 1.00 3.24 H new ATOM 0 HD23 LEU A 77 0.745 -7.291 17.515 1.00 3.24 H new ATOM 1240 N LYS A 78 -3.791 -8.568 18.926 1.00 54.44 N ATOM 1241 CA LYS A 78 -4.952 -9.420 19.156 1.00 50.42 C ATOM 1242 C LYS A 78 -5.928 -8.760 20.125 1.00 3.11 C ATOM 1243 O LYS A 78 -7.139 -8.776 19.909 1.00 23.01 O ATOM 1244 CB LYS A 78 -4.512 -10.779 19.705 1.00 41.34 C ATOM 1245 CG LYS A 78 -5.515 -11.891 19.452 1.00 13.40 C ATOM 1246 CD LYS A 78 -6.024 -12.489 20.753 1.00 50.31 C ATOM 1247 CE LYS A 78 -7.372 -11.903 21.146 1.00 24.22 C ATOM 1248 NZ LYS A 78 -8.446 -12.292 20.191 1.00 64.51 N ATOM 0 H LYS A 78 -2.894 -9.047 19.007 1.00 54.44 H new ATOM 0 HA LYS A 78 -5.458 -9.567 18.202 1.00 50.42 H new ATOM 0 HB2 LYS A 78 -3.558 -11.052 19.254 1.00 41.34 H new ATOM 0 HB3 LYS A 78 -4.343 -10.691 20.778 1.00 41.34 H new ATOM 0 HG2 LYS A 78 -6.355 -11.501 18.877 1.00 13.40 H new ATOM 0 HG3 LYS A 78 -5.050 -12.671 18.849 1.00 13.40 H new ATOM 0 HD2 LYS A 78 -6.113 -13.570 20.647 1.00 50.31 H new ATOM 0 HD3 LYS A 78 -5.300 -12.305 21.547 1.00 50.31 H new ATOM 0 HE2 LYS A 78 -7.637 -12.241 22.148 1.00 24.22 H new ATOM 0 HE3 LYS A 78 -7.298 -10.816 21.186 1.00 24.22 H new ATOM 0 HZ1 LYS A 78 -9.366 -12.274 20.677 1.00 64.51 H new ATOM 0 HZ2 LYS A 78 -8.462 -11.623 19.395 1.00 64.51 H new ATOM 0 HZ3 LYS A 78 -8.262 -13.251 19.834 1.00 64.51 H new ATOM 1262 N GLY A 79 -5.391 -8.179 21.194 1.00 52.51 N ATOM 1263 CA GLY A 79 -6.229 -7.520 22.179 1.00 30.32 C ATOM 1264 C GLY A 79 -6.605 -6.110 21.771 1.00 54.12 C ATOM 1265 O GLY A 79 -7.623 -5.577 22.216 1.00 23.03 O ATOM 0 H GLY A 79 -4.391 -8.153 21.395 1.00 52.51 H new ATOM 0 HA2 GLY A 79 -7.136 -8.105 22.329 1.00 30.32 H new ATOM 0 HA3 GLY A 79 -5.706 -7.491 23.135 1.00 30.32 H new ATOM 1269 N LEU A 80 -5.783 -5.502 20.922 1.00 34.15 N ATOM 1270 CA LEU A 80 -6.034 -4.143 20.455 1.00 73.32 C ATOM 1271 C LEU A 80 -7.178 -4.117 19.446 1.00 60.01 C ATOM 1272 O LEU A 80 -7.905 -3.129 19.340 1.00 44.20 O ATOM 1273 CB LEU A 80 -4.769 -3.558 19.824 1.00 33.23 C ATOM 1274 CG LEU A 80 -3.840 -2.795 20.769 1.00 41.14 C ATOM 1275 CD1 LEU A 80 -2.560 -2.395 20.051 1.00 72.44 C ATOM 1276 CD2 LEU A 80 -4.543 -1.568 21.332 1.00 25.54 C ATOM 0 H LEU A 80 -4.937 -5.929 20.543 1.00 34.15 H new ATOM 0 HA LEU A 80 -6.318 -3.536 21.315 1.00 73.32 H new ATOM 0 HB2 LEU A 80 -4.204 -4.372 19.369 1.00 33.23 H new ATOM 0 HB3 LEU A 80 -5.066 -2.887 19.018 1.00 33.23 H new ATOM 0 HG LEU A 80 -3.577 -3.452 21.598 1.00 41.14 H new ATOM 0 HD11 LEU A 80 -1.911 -1.853 20.739 1.00 72.44 H new ATOM 0 HD12 LEU A 80 -2.047 -3.289 19.697 1.00 72.44 H new ATOM 0 HD13 LEU A 80 -2.803 -1.756 19.202 1.00 72.44 H new ATOM 0 HD21 LEU A 80 -3.867 -1.037 22.002 1.00 25.54 H new ATOM 0 HD22 LEU A 80 -4.835 -0.909 20.514 1.00 25.54 H new ATOM 0 HD23 LEU A 80 -5.431 -1.878 21.883 1.00 25.54 H new ATOM 1288 N LYS A 81 -7.334 -5.211 18.707 1.00 3.44 N ATOM 1289 CA LYS A 81 -8.391 -5.316 17.709 1.00 50.10 C ATOM 1290 C LYS A 81 -9.749 -4.983 18.318 1.00 75.32 C ATOM 1291 O LYS A 81 -10.457 -4.098 17.836 1.00 30.51 O ATOM 1292 CB LYS A 81 -8.419 -6.725 17.112 1.00 1.04 C ATOM 1293 CG LYS A 81 -7.303 -6.986 16.116 1.00 41.44 C ATOM 1294 CD LYS A 81 -7.852 -7.350 14.747 1.00 71.45 C ATOM 1295 CE LYS A 81 -6.843 -7.061 13.646 1.00 40.20 C ATOM 1296 NZ LYS A 81 -6.686 -8.216 12.719 1.00 13.12 N ATOM 0 H LYS A 81 -6.741 -6.038 18.781 1.00 3.44 H new ATOM 0 HA LYS A 81 -8.182 -4.597 16.917 1.00 50.10 H new ATOM 0 HB2 LYS A 81 -8.352 -7.454 17.920 1.00 1.04 H new ATOM 0 HB3 LYS A 81 -9.378 -6.883 16.619 1.00 1.04 H new ATOM 0 HG2 LYS A 81 -6.674 -6.100 16.033 1.00 41.44 H new ATOM 0 HG3 LYS A 81 -6.669 -7.794 16.482 1.00 41.44 H new ATOM 0 HD2 LYS A 81 -8.118 -8.407 14.730 1.00 71.45 H new ATOM 0 HD3 LYS A 81 -8.767 -6.788 14.560 1.00 71.45 H new ATOM 0 HE2 LYS A 81 -7.162 -6.184 13.083 1.00 40.20 H new ATOM 0 HE3 LYS A 81 -5.878 -6.820 14.092 1.00 40.20 H new ATOM 0 HZ1 LYS A 81 -6.029 -7.961 11.955 1.00 13.12 H new ATOM 0 HZ2 LYS A 81 -6.309 -9.032 13.242 1.00 13.12 H new ATOM 0 HZ3 LYS A 81 -7.611 -8.463 12.312 1.00 13.12 H new ATOM 1310 N VAL A 82 -10.107 -5.697 19.380 1.00 35.25 N ATOM 1311 CA VAL A 82 -11.380 -5.476 20.057 1.00 50.22 C ATOM 1312 C VAL A 82 -11.477 -4.052 20.593 1.00 22.03 C ATOM 1313 O VAL A 82 -12.519 -3.639 21.102 1.00 63.14 O ATOM 1314 CB VAL A 82 -11.577 -6.466 21.220 1.00 1.43 C ATOM 1315 CG1 VAL A 82 -13.032 -6.488 21.662 1.00 12.45 C ATOM 1316 CG2 VAL A 82 -11.112 -7.857 20.820 1.00 62.43 C ATOM 0 H VAL A 82 -9.534 -6.434 19.791 1.00 35.25 H new ATOM 0 HA VAL A 82 -12.164 -5.637 19.317 1.00 50.22 H new ATOM 0 HB VAL A 82 -10.971 -6.134 22.063 1.00 1.43 H new ATOM 0 HG11 VAL A 82 -13.152 -7.193 22.484 1.00 12.45 H new ATOM 0 HG12 VAL A 82 -13.327 -5.492 21.992 1.00 12.45 H new ATOM 0 HG13 VAL A 82 -13.661 -6.795 20.827 1.00 12.45 H new ATOM 0 HG21 VAL A 82 -11.259 -8.543 21.654 1.00 62.43 H new ATOM 0 HG22 VAL A 82 -11.689 -8.201 19.961 1.00 62.43 H new ATOM 0 HG23 VAL A 82 -10.055 -7.826 20.557 1.00 62.43 H new ATOM 1326 N MET A 83 -10.383 -3.306 20.476 1.00 54.31 N ATOM 1327 CA MET A 83 -10.346 -1.926 20.948 1.00 62.41 C ATOM 1328 C MET A 83 -10.433 -0.950 19.780 1.00 44.54 C ATOM 1329 O MET A 83 -10.626 0.250 19.975 1.00 71.45 O ATOM 1330 CB MET A 83 -9.065 -1.673 21.746 1.00 54.30 C ATOM 1331 CG MET A 83 -9.048 -0.329 22.456 1.00 51.31 C ATOM 1332 SD MET A 83 -10.293 -0.213 23.755 1.00 22.53 S ATOM 1333 CE MET A 83 -9.281 0.272 25.151 1.00 0.12 C ATOM 0 H MET A 83 -9.511 -3.633 20.059 1.00 54.31 H new ATOM 0 HA MET A 83 -11.207 -1.766 21.596 1.00 62.41 H new ATOM 0 HB2 MET A 83 -8.943 -2.466 22.484 1.00 54.30 H new ATOM 0 HB3 MET A 83 -8.210 -1.730 21.073 1.00 54.30 H new ATOM 0 HG2 MET A 83 -8.061 -0.163 22.888 1.00 51.31 H new ATOM 0 HG3 MET A 83 -9.214 0.464 21.727 1.00 51.31 H new ATOM 0 HE1 MET A 83 -9.605 -0.268 26.041 1.00 0.12 H new ATOM 0 HE2 MET A 83 -8.237 0.036 24.943 1.00 0.12 H new ATOM 0 HE3 MET A 83 -9.384 1.344 25.320 1.00 0.12 H new ATOM 1343 N ASN A 84 -10.288 -1.471 18.566 1.00 61.12 N ATOM 1344 CA ASN A 84 -10.349 -0.644 17.366 1.00 33.02 C ATOM 1345 C ASN A 84 -9.077 0.183 17.210 1.00 62.00 C ATOM 1346 O ASN A 84 -9.102 1.282 16.655 1.00 43.23 O ATOM 1347 CB ASN A 84 -11.568 0.280 17.420 1.00 22.31 C ATOM 1348 CG ASN A 84 -12.778 -0.395 18.037 1.00 61.03 C ATOM 1349 OD1 ASN A 84 -13.211 -0.038 19.133 1.00 45.24 O ATOM 1350 ND2 ASN A 84 -13.330 -1.377 17.333 1.00 13.43 N ATOM 0 H ASN A 84 -10.127 -2.462 18.387 1.00 61.12 H new ATOM 0 HA ASN A 84 -10.440 -1.305 16.504 1.00 33.02 H new ATOM 0 HB2 ASN A 84 -11.320 1.171 17.996 1.00 22.31 H new ATOM 0 HB3 ASN A 84 -11.815 0.611 16.411 1.00 22.31 H new ATOM 0 HD21 ASN A 84 -14.146 -1.869 17.697 1.00 13.43 H new ATOM 0 HD22 ASN A 84 -12.937 -1.639 16.429 1.00 13.43 H new ATOM 1357 N LEU A 85 -7.966 -0.353 17.703 1.00 45.14 N ATOM 1358 CA LEU A 85 -6.682 0.335 17.617 1.00 23.35 C ATOM 1359 C LEU A 85 -5.920 -0.086 16.365 1.00 74.44 C ATOM 1360 O LEU A 85 -4.689 -0.059 16.335 1.00 73.15 O ATOM 1361 CB LEU A 85 -5.841 0.042 18.861 1.00 2.24 C ATOM 1362 CG LEU A 85 -5.728 1.179 19.878 1.00 70.11 C ATOM 1363 CD1 LEU A 85 -5.521 2.509 19.170 1.00 13.13 C ATOM 1364 CD2 LEU A 85 -6.966 1.229 20.761 1.00 12.32 C ATOM 0 H LEU A 85 -7.928 -1.261 18.166 1.00 45.14 H new ATOM 0 HA LEU A 85 -6.875 1.406 17.559 1.00 23.35 H new ATOM 0 HB2 LEU A 85 -6.263 -0.828 19.364 1.00 2.24 H new ATOM 0 HB3 LEU A 85 -4.836 -0.232 18.540 1.00 2.24 H new ATOM 0 HG LEU A 85 -4.862 0.990 20.512 1.00 70.11 H new ATOM 0 HD11 LEU A 85 -5.443 3.306 19.909 1.00 13.13 H new ATOM 0 HD12 LEU A 85 -4.605 2.469 18.581 1.00 13.13 H new ATOM 0 HD13 LEU A 85 -6.367 2.706 18.512 1.00 13.13 H new ATOM 0 HD21 LEU A 85 -6.868 2.044 21.479 1.00 12.32 H new ATOM 0 HD22 LEU A 85 -7.848 1.394 20.142 1.00 12.32 H new ATOM 0 HD23 LEU A 85 -7.070 0.285 21.296 1.00 12.32 H new ATOM 1376 N LEU A 86 -6.660 -0.474 15.331 1.00 13.44 N ATOM 1377 CA LEU A 86 -6.055 -0.898 14.074 1.00 73.43 C ATOM 1378 C LEU A 86 -5.307 0.255 13.412 1.00 32.35 C ATOM 1379 O LEU A 86 -4.563 0.055 12.453 1.00 20.32 O ATOM 1380 CB LEU A 86 -7.128 -1.436 13.125 1.00 11.00 C ATOM 1381 CG LEU A 86 -8.095 -0.401 12.549 1.00 1.43 C ATOM 1382 CD1 LEU A 86 -7.628 0.061 11.178 1.00 44.42 C ATOM 1383 CD2 LEU A 86 -9.503 -0.972 12.470 1.00 12.24 C ATOM 0 H LEU A 86 -7.680 -0.503 15.339 1.00 13.44 H new ATOM 0 HA LEU A 86 -5.341 -1.691 14.293 1.00 73.43 H new ATOM 0 HB2 LEU A 86 -6.632 -1.941 12.296 1.00 11.00 H new ATOM 0 HB3 LEU A 86 -7.709 -2.190 13.656 1.00 11.00 H new ATOM 0 HG LEU A 86 -8.111 0.462 13.215 1.00 1.43 H new ATOM 0 HD11 LEU A 86 -8.329 0.797 10.784 1.00 44.42 H new ATOM 0 HD12 LEU A 86 -6.639 0.511 11.263 1.00 44.42 H new ATOM 0 HD13 LEU A 86 -7.581 -0.793 10.503 1.00 44.42 H new ATOM 0 HD21 LEU A 86 -10.177 -0.221 12.058 1.00 12.24 H new ATOM 0 HD22 LEU A 86 -9.503 -1.852 11.827 1.00 12.24 H new ATOM 0 HD23 LEU A 86 -9.839 -1.252 13.469 1.00 12.24 H new ATOM 1395 N GLU A 87 -5.509 1.461 13.934 1.00 70.12 N ATOM 1396 CA GLU A 87 -4.852 2.645 13.394 1.00 1.41 C ATOM 1397 C GLU A 87 -3.342 2.441 13.314 1.00 62.22 C ATOM 1398 O GLU A 87 -2.780 2.295 12.227 1.00 34.31 O ATOM 1399 CB GLU A 87 -5.167 3.869 14.258 1.00 64.43 C ATOM 1400 CG GLU A 87 -4.456 5.133 13.804 1.00 32.12 C ATOM 1401 CD GLU A 87 -5.415 6.184 13.279 1.00 44.03 C ATOM 1402 OE1 GLU A 87 -6.414 6.474 13.969 1.00 40.55 O ATOM 1403 OE2 GLU A 87 -5.164 6.716 12.177 1.00 52.30 O ATOM 0 H GLU A 87 -6.121 1.643 14.729 1.00 70.12 H new ATOM 0 HA GLU A 87 -5.233 2.812 12.386 1.00 1.41 H new ATOM 0 HB2 GLU A 87 -6.243 4.044 14.248 1.00 64.43 H new ATOM 0 HB3 GLU A 87 -4.889 3.656 15.290 1.00 64.43 H new ATOM 0 HG2 GLU A 87 -3.890 5.547 14.639 1.00 32.12 H new ATOM 0 HG3 GLU A 87 -3.737 4.881 13.025 1.00 32.12 H new ATOM 1410 N LEU A 88 -2.690 2.432 14.471 1.00 3.01 N ATOM 1411 CA LEU A 88 -1.244 2.246 14.533 1.00 32.04 C ATOM 1412 C LEU A 88 -0.875 0.780 14.334 1.00 62.44 C ATOM 1413 O LEU A 88 0.161 0.464 13.749 1.00 64.43 O ATOM 1414 CB LEU A 88 -0.704 2.742 15.876 1.00 62.51 C ATOM 1415 CG LEU A 88 -1.238 4.091 16.358 1.00 73.41 C ATOM 1416 CD1 LEU A 88 -1.416 5.044 15.186 1.00 35.42 C ATOM 1417 CD2 LEU A 88 -2.552 3.908 17.104 1.00 51.12 C ATOM 0 H LEU A 88 -3.139 2.551 15.379 1.00 3.01 H new ATOM 0 HA LEU A 88 -0.792 2.827 13.729 1.00 32.04 H new ATOM 0 HB2 LEU A 88 -0.930 1.993 16.635 1.00 62.51 H new ATOM 0 HB3 LEU A 88 0.382 2.808 15.806 1.00 62.51 H new ATOM 0 HG LEU A 88 -0.511 4.524 17.045 1.00 73.41 H new ATOM 0 HD11 LEU A 88 -1.797 5.999 15.548 1.00 35.42 H new ATOM 0 HD12 LEU A 88 -0.456 5.199 14.694 1.00 35.42 H new ATOM 0 HD13 LEU A 88 -2.123 4.618 14.475 1.00 35.42 H new ATOM 0 HD21 LEU A 88 -2.918 4.878 17.440 1.00 51.12 H new ATOM 0 HD22 LEU A 88 -3.287 3.453 16.440 1.00 51.12 H new ATOM 0 HD23 LEU A 88 -2.393 3.261 17.967 1.00 51.12 H new ATOM 1429 N VAL A 89 -1.731 -0.113 14.822 1.00 45.22 N ATOM 1430 CA VAL A 89 -1.496 -1.546 14.694 1.00 32.21 C ATOM 1431 C VAL A 89 -1.326 -1.947 13.233 1.00 31.21 C ATOM 1432 O VAL A 89 -0.655 -2.932 12.923 1.00 1.40 O ATOM 1433 CB VAL A 89 -2.651 -2.360 15.308 1.00 63.55 C ATOM 1434 CG1 VAL A 89 -2.763 -3.719 14.633 1.00 32.32 C ATOM 1435 CG2 VAL A 89 -2.454 -2.515 16.808 1.00 35.30 C ATOM 0 H VAL A 89 -2.593 0.131 15.309 1.00 45.22 H new ATOM 0 HA VAL A 89 -0.577 -1.766 15.237 1.00 32.21 H new ATOM 0 HB VAL A 89 -3.583 -1.820 15.141 1.00 63.55 H new ATOM 0 HG11 VAL A 89 -3.584 -4.280 15.079 1.00 32.32 H new ATOM 0 HG12 VAL A 89 -2.954 -3.582 13.569 1.00 32.32 H new ATOM 0 HG13 VAL A 89 -1.832 -4.270 14.767 1.00 32.32 H new ATOM 0 HG21 VAL A 89 -3.279 -3.092 17.226 1.00 35.30 H new ATOM 0 HG22 VAL A 89 -1.514 -3.033 17.000 1.00 35.30 H new ATOM 0 HG23 VAL A 89 -2.427 -1.531 17.275 1.00 35.30 H new ATOM 1445 N ASP A 90 -1.938 -1.178 12.339 1.00 21.13 N ATOM 1446 CA ASP A 90 -1.853 -1.452 10.909 1.00 12.25 C ATOM 1447 C ASP A 90 -0.434 -1.848 10.515 1.00 22.12 C ATOM 1448 O ASP A 90 -0.220 -2.891 9.898 1.00 21.11 O ATOM 1449 CB ASP A 90 -2.296 -0.227 10.107 1.00 23.30 C ATOM 1450 CG ASP A 90 -2.243 -0.466 8.611 1.00 55.22 C ATOM 1451 OD1 ASP A 90 -1.127 -0.487 8.052 1.00 1.34 O ATOM 1452 OD2 ASP A 90 -3.319 -0.631 7.998 1.00 53.41 O ATOM 0 H ASP A 90 -2.498 -0.360 12.579 1.00 21.13 H new ATOM 0 HA ASP A 90 -2.519 -2.285 10.683 1.00 12.25 H new ATOM 0 HB2 ASP A 90 -3.312 0.043 10.393 1.00 23.30 H new ATOM 0 HB3 ASP A 90 -1.658 0.620 10.360 1.00 23.30 H new ATOM 1457 N GLN A 91 0.531 -1.008 10.875 1.00 2.00 N ATOM 1458 CA GLN A 91 1.930 -1.270 10.557 1.00 72.42 C ATOM 1459 C GLN A 91 2.522 -2.300 11.513 1.00 32.14 C ATOM 1460 O GLN A 91 2.967 -3.369 11.094 1.00 61.12 O ATOM 1461 CB GLN A 91 2.740 0.025 10.618 1.00 44.41 C ATOM 1462 CG GLN A 91 3.148 0.553 9.252 1.00 52.13 C ATOM 1463 CD GLN A 91 2.317 1.743 8.814 1.00 12.23 C ATOM 1464 OE1 GLN A 91 2.836 2.845 8.636 1.00 51.45 O ATOM 1465 NE2 GLN A 91 1.018 1.527 8.639 1.00 65.40 N ATOM 0 H GLN A 91 0.370 -0.141 11.387 1.00 2.00 H new ATOM 0 HA GLN A 91 1.977 -1.672 9.545 1.00 72.42 H new ATOM 0 HB2 GLN A 91 2.154 0.786 11.132 1.00 44.41 H new ATOM 0 HB3 GLN A 91 3.636 -0.145 11.215 1.00 44.41 H new ATOM 0 HG2 GLN A 91 4.200 0.838 9.276 1.00 52.13 H new ATOM 0 HG3 GLN A 91 3.051 -0.244 8.515 1.00 52.13 H new ATOM 0 HE21 GLN A 91 0.630 0.597 8.798 1.00 65.40 H new ATOM 0 HE22 GLN A 91 0.409 2.291 8.346 1.00 65.40 H new ATOM 1474 N LEU A 92 2.524 -1.972 12.801 1.00 42.44 N ATOM 1475 CA LEU A 92 3.062 -2.868 13.818 1.00 21.00 C ATOM 1476 C LEU A 92 2.788 -4.325 13.460 1.00 61.13 C ATOM 1477 O LEU A 92 3.696 -5.157 13.462 1.00 13.35 O ATOM 1478 CB LEU A 92 2.455 -2.544 15.184 1.00 12.10 C ATOM 1479 CG LEU A 92 2.684 -3.581 16.284 1.00 70.53 C ATOM 1480 CD1 LEU A 92 1.672 -4.711 16.171 1.00 62.22 C ATOM 1481 CD2 LEU A 92 4.103 -4.126 16.216 1.00 5.41 C ATOM 0 H LEU A 92 2.159 -1.092 13.165 1.00 42.44 H new ATOM 0 HA LEU A 92 4.141 -2.721 13.863 1.00 21.00 H new ATOM 0 HB2 LEU A 92 2.860 -1.590 15.522 1.00 12.10 H new ATOM 0 HB3 LEU A 92 1.381 -2.408 15.059 1.00 12.10 H new ATOM 0 HG LEU A 92 2.549 -3.094 17.250 1.00 70.53 H new ATOM 0 HD11 LEU A 92 1.850 -5.440 16.962 1.00 62.22 H new ATOM 0 HD12 LEU A 92 0.664 -4.308 16.269 1.00 62.22 H new ATOM 0 HD13 LEU A 92 1.775 -5.196 15.201 1.00 62.22 H new ATOM 0 HD21 LEU A 92 4.248 -4.863 17.006 1.00 5.41 H new ATOM 0 HD22 LEU A 92 4.266 -4.597 15.247 1.00 5.41 H new ATOM 0 HD23 LEU A 92 4.813 -3.309 16.346 1.00 5.41 H new ATOM 1493 N SER A 93 1.531 -4.627 13.150 1.00 43.33 N ATOM 1494 CA SER A 93 1.137 -5.984 12.790 1.00 1.14 C ATOM 1495 C SER A 93 1.873 -6.449 11.538 1.00 72.55 C ATOM 1496 O SER A 93 2.412 -7.556 11.495 1.00 74.00 O ATOM 1497 CB SER A 93 -0.374 -6.056 12.564 1.00 13.34 C ATOM 1498 OG SER A 93 -0.703 -7.074 11.635 1.00 12.22 O ATOM 0 H SER A 93 0.768 -3.950 13.141 1.00 43.33 H new ATOM 0 HA SER A 93 1.405 -6.645 13.614 1.00 1.14 H new ATOM 0 HB2 SER A 93 -0.878 -6.247 13.511 1.00 13.34 H new ATOM 0 HB3 SER A 93 -0.736 -5.095 12.199 1.00 13.34 H new ATOM 0 HG SER A 93 -1.041 -6.667 10.810 1.00 12.22 H new ATOM 1504 N HIS A 94 1.891 -5.596 10.518 1.00 20.52 N ATOM 1505 CA HIS A 94 2.561 -5.919 9.263 1.00 32.02 C ATOM 1506 C HIS A 94 4.077 -5.854 9.424 1.00 34.11 C ATOM 1507 O HIS A 94 4.822 -6.105 8.477 1.00 61.13 O ATOM 1508 CB HIS A 94 2.112 -4.960 8.160 1.00 31.30 C ATOM 1509 CG HIS A 94 1.348 -5.630 7.059 1.00 11.53 C ATOM 1510 ND1 HIS A 94 1.397 -5.210 5.747 1.00 73.45 N ATOM 1511 CD2 HIS A 94 0.514 -6.696 7.081 1.00 2.45 C ATOM 1512 CE1 HIS A 94 0.625 -5.989 5.009 1.00 12.52 C ATOM 1513 NE2 HIS A 94 0.078 -6.898 5.795 1.00 30.32 N ATOM 0 H HIS A 94 1.450 -4.677 10.536 1.00 20.52 H new ATOM 0 HA HIS A 94 2.286 -6.936 8.984 1.00 32.02 H new ATOM 0 HB2 HIS A 94 1.491 -4.179 8.599 1.00 31.30 H new ATOM 0 HB3 HIS A 94 2.989 -4.470 7.737 1.00 31.30 H new ATOM 0 HD2 HIS A 94 0.242 -7.279 7.949 1.00 2.45 H new ATOM 0 HE1 HIS A 94 0.468 -5.897 3.944 1.00 12.52 H new ATOM 0 HE2 HIS A 94 -0.564 -7.631 5.495 1.00 30.32 H new ATOM 1521 N ILE A 95 4.525 -5.515 10.628 1.00 31.52 N ATOM 1522 CA ILE A 95 5.951 -5.418 10.912 1.00 23.12 C ATOM 1523 C ILE A 95 6.447 -6.647 11.668 1.00 55.25 C ATOM 1524 O ILE A 95 7.567 -7.111 11.452 1.00 51.30 O ATOM 1525 CB ILE A 95 6.277 -4.158 11.735 1.00 13.32 C ATOM 1526 CG1 ILE A 95 6.010 -2.899 10.908 1.00 40.34 C ATOM 1527 CG2 ILE A 95 7.723 -4.192 12.207 1.00 52.24 C ATOM 1528 CD1 ILE A 95 5.855 -1.648 11.744 1.00 44.44 C ATOM 0 H ILE A 95 3.921 -5.303 11.422 1.00 31.52 H new ATOM 0 HA ILE A 95 6.460 -5.356 9.950 1.00 23.12 H new ATOM 0 HB ILE A 95 5.630 -4.138 12.612 1.00 13.32 H new ATOM 0 HG12 ILE A 95 6.830 -2.756 10.204 1.00 40.34 H new ATOM 0 HG13 ILE A 95 5.105 -3.047 10.318 1.00 40.34 H new ATOM 0 HG21 ILE A 95 7.938 -3.295 12.787 1.00 52.24 H new ATOM 0 HG22 ILE A 95 7.882 -5.073 12.829 1.00 52.24 H new ATOM 0 HG23 ILE A 95 8.387 -4.233 11.343 1.00 52.24 H new ATOM 0 HD11 ILE A 95 5.668 -0.795 11.091 1.00 44.44 H new ATOM 0 HD12 ILE A 95 5.017 -1.770 12.430 1.00 44.44 H new ATOM 0 HD13 ILE A 95 6.768 -1.476 12.314 1.00 44.44 H new ATOM 1540 N CYS A 96 5.604 -7.170 12.552 1.00 44.23 N ATOM 1541 CA CYS A 96 5.956 -8.346 13.339 1.00 31.31 C ATOM 1542 C CYS A 96 5.319 -9.602 12.754 1.00 75.40 C ATOM 1543 O CYS A 96 5.939 -10.665 12.713 1.00 65.41 O ATOM 1544 CB CYS A 96 5.513 -8.164 14.792 1.00 63.44 C ATOM 1545 SG CYS A 96 6.180 -9.403 15.927 1.00 21.32 S ATOM 0 H CYS A 96 4.673 -6.798 12.741 1.00 44.23 H new ATOM 0 HA CYS A 96 7.039 -8.462 13.309 1.00 31.31 H new ATOM 0 HB2 CYS A 96 5.817 -7.174 15.132 1.00 63.44 H new ATOM 0 HB3 CYS A 96 4.424 -8.196 14.835 1.00 63.44 H new ATOM 0 HG CYS A 96 6.421 -10.503 15.277 1.00 21.32 H new ATOM 1551 N LEU A 97 4.075 -9.474 12.304 1.00 44.33 N ATOM 1552 CA LEU A 97 3.352 -10.599 11.722 1.00 60.01 C ATOM 1553 C LEU A 97 3.227 -10.443 10.210 1.00 52.32 C ATOM 1554 O LEU A 97 3.677 -9.449 9.638 1.00 24.33 O ATOM 1555 CB LEU A 97 1.963 -10.718 12.351 1.00 54.54 C ATOM 1556 CG LEU A 97 1.902 -10.591 13.873 1.00 32.22 C ATOM 1557 CD1 LEU A 97 3.150 -11.184 14.508 1.00 3.42 C ATOM 1558 CD2 LEU A 97 1.733 -9.135 14.281 1.00 4.13 C ATOM 0 H LEU A 97 3.546 -8.602 12.331 1.00 44.33 H new ATOM 0 HA LEU A 97 3.917 -11.508 11.929 1.00 60.01 H new ATOM 0 HB2 LEU A 97 1.323 -9.950 11.917 1.00 54.54 H new ATOM 0 HB3 LEU A 97 1.540 -11.683 12.070 1.00 54.54 H new ATOM 0 HG LEU A 97 1.037 -11.149 14.231 1.00 32.22 H new ATOM 0 HD11 LEU A 97 3.089 -11.085 15.592 1.00 3.42 H new ATOM 0 HD12 LEU A 97 3.226 -12.239 14.244 1.00 3.42 H new ATOM 0 HD13 LEU A 97 4.030 -10.654 14.144 1.00 3.42 H new ATOM 0 HD21 LEU A 97 1.692 -9.064 15.368 1.00 4.13 H new ATOM 0 HD22 LEU A 97 2.577 -8.553 13.911 1.00 4.13 H new ATOM 0 HD23 LEU A 97 0.809 -8.743 13.856 1.00 4.13 H new ATOM 1570 N HIS A 98 2.610 -11.429 9.567 1.00 60.30 N ATOM 1571 CA HIS A 98 2.423 -11.400 8.121 1.00 73.02 C ATOM 1572 C HIS A 98 1.140 -10.660 7.754 1.00 32.01 C ATOM 1573 O HIS A 98 1.182 -9.570 7.183 1.00 70.20 O ATOM 1574 CB HIS A 98 2.382 -12.822 7.562 1.00 63.54 C ATOM 1575 CG HIS A 98 2.823 -12.917 6.133 1.00 34.22 C ATOM 1576 ND1 HIS A 98 3.283 -14.085 5.564 1.00 63.44 N ATOM 1577 CD2 HIS A 98 2.869 -11.981 5.157 1.00 10.41 C ATOM 1578 CE1 HIS A 98 3.596 -13.863 4.299 1.00 13.14 C ATOM 1579 NE2 HIS A 98 3.353 -12.593 4.027 1.00 20.45 N ATOM 0 H HIS A 98 2.231 -12.258 10.025 1.00 60.30 H new ATOM 0 HA HIS A 98 3.267 -10.869 7.681 1.00 73.02 H new ATOM 0 HB2 HIS A 98 3.018 -13.462 8.173 1.00 63.54 H new ATOM 0 HB3 HIS A 98 1.366 -13.208 7.647 1.00 63.54 H new ATOM 0 HD2 HIS A 98 2.579 -10.945 5.250 1.00 10.41 H new ATOM 0 HE1 HIS A 98 3.984 -14.595 3.606 1.00 13.14 H new ATOM 0 HE2 HIS A 98 3.501 -12.141 3.125 1.00 20.45 H new ATOM 1587 N ASP A 99 0.002 -11.260 8.085 1.00 14.42 N ATOM 1588 CA ASP A 99 -1.294 -10.657 7.791 1.00 24.31 C ATOM 1589 C ASP A 99 -1.756 -9.773 8.945 1.00 52.24 C ATOM 1590 O ASP A 99 -1.746 -8.546 8.842 1.00 4.13 O ATOM 1591 CB ASP A 99 -2.334 -11.744 7.516 1.00 54.31 C ATOM 1592 CG ASP A 99 -2.006 -12.561 6.282 1.00 23.32 C ATOM 1593 OD1 ASP A 99 -2.002 -11.987 5.173 1.00 33.00 O ATOM 1594 OD2 ASP A 99 -1.751 -13.775 6.426 1.00 60.10 O ATOM 0 H ASP A 99 -0.050 -12.163 8.557 1.00 14.42 H new ATOM 0 HA ASP A 99 -1.186 -10.035 6.902 1.00 24.31 H new ATOM 0 HB2 ASP A 99 -2.400 -12.406 8.379 1.00 54.31 H new ATOM 0 HB3 ASP A 99 -3.314 -11.282 7.393 1.00 54.31 H new ATOM 1599 N TYR A 100 -2.163 -10.404 10.041 1.00 45.43 N ATOM 1600 CA TYR A 100 -2.632 -9.674 11.213 1.00 75.15 C ATOM 1601 C TYR A 100 -2.030 -10.250 12.490 1.00 3.34 C ATOM 1602 O TYR A 100 -1.812 -9.531 13.466 1.00 43.33 O ATOM 1603 CB TYR A 100 -4.159 -9.721 11.290 1.00 54.43 C ATOM 1604 CG TYR A 100 -4.736 -11.097 11.047 1.00 33.12 C ATOM 1605 CD1 TYR A 100 -4.844 -12.018 12.082 1.00 75.42 C ATOM 1606 CD2 TYR A 100 -5.172 -11.477 9.784 1.00 53.31 C ATOM 1607 CE1 TYR A 100 -5.370 -13.277 11.865 1.00 32.40 C ATOM 1608 CE2 TYR A 100 -5.701 -12.733 9.558 1.00 3.03 C ATOM 1609 CZ TYR A 100 -5.797 -13.630 10.602 1.00 54.22 C ATOM 1610 OH TYR A 100 -6.322 -14.883 10.381 1.00 41.43 O ATOM 0 H TYR A 100 -2.178 -11.419 10.142 1.00 45.43 H new ATOM 0 HA TYR A 100 -2.311 -8.637 11.117 1.00 75.15 H new ATOM 0 HB2 TYR A 100 -4.476 -9.372 12.273 1.00 54.43 H new ATOM 0 HB3 TYR A 100 -4.573 -9.028 10.557 1.00 54.43 H new ATOM 0 HD1 TYR A 100 -4.511 -11.745 13.073 1.00 75.42 H new ATOM 0 HD2 TYR A 100 -5.096 -10.778 8.964 1.00 53.31 H new ATOM 0 HE1 TYR A 100 -5.446 -13.981 12.680 1.00 32.40 H new ATOM 0 HE2 TYR A 100 -6.037 -13.011 8.570 1.00 3.03 H new ATOM 0 HH TYR A 100 -6.575 -14.970 9.438 1.00 41.43 H new ATOM 1620 N ARG A 101 -1.762 -11.551 12.477 1.00 73.44 N ATOM 1621 CA ARG A 101 -1.185 -12.225 13.634 1.00 72.25 C ATOM 1622 C ARG A 101 -0.404 -13.465 13.207 1.00 12.21 C ATOM 1623 O ARG A 101 -0.836 -14.209 12.327 1.00 25.04 O ATOM 1624 CB ARG A 101 -2.284 -12.617 14.623 1.00 72.01 C ATOM 1625 CG ARG A 101 -1.809 -13.552 15.723 1.00 65.35 C ATOM 1626 CD ARG A 101 -2.690 -13.453 16.958 1.00 63.31 C ATOM 1627 NE ARG A 101 -4.052 -13.909 16.696 1.00 15.40 N ATOM 1628 CZ ARG A 101 -4.378 -15.182 16.505 1.00 21.20 C ATOM 1629 NH1 ARG A 101 -3.444 -16.122 16.547 1.00 63.01 N ATOM 1630 NH2 ARG A 101 -5.640 -15.518 16.272 1.00 53.10 N ATOM 0 H ARG A 101 -1.935 -12.160 11.677 1.00 73.44 H new ATOM 0 HA ARG A 101 -0.498 -11.533 14.121 1.00 72.25 H new ATOM 0 HB2 ARG A 101 -2.692 -11.714 15.077 1.00 72.01 H new ATOM 0 HB3 ARG A 101 -3.098 -13.095 14.078 1.00 72.01 H new ATOM 0 HG2 ARG A 101 -1.810 -14.578 15.355 1.00 65.35 H new ATOM 0 HG3 ARG A 101 -0.780 -13.310 15.989 1.00 65.35 H new ATOM 0 HD2 ARG A 101 -2.256 -14.049 17.761 1.00 63.31 H new ATOM 0 HD3 ARG A 101 -2.714 -12.420 17.304 1.00 63.31 H new ATOM 0 HE ARG A 101 -4.795 -13.211 16.658 1.00 15.40 H new ATOM 0 HH11 ARG A 101 -2.473 -15.868 16.726 1.00 63.01 H new ATOM 0 HH12 ARG A 101 -3.697 -17.099 16.400 1.00 63.01 H new ATOM 0 HH21 ARG A 101 -6.362 -14.798 16.239 1.00 53.10 H new ATOM 0 HH22 ARG A 101 -5.889 -16.496 16.125 1.00 53.10 H new ATOM 1644 N GLU A 102 0.747 -13.678 13.837 1.00 31.50 N ATOM 1645 CA GLU A 102 1.588 -14.827 13.521 1.00 11.02 C ATOM 1646 C GLU A 102 0.930 -16.125 13.980 1.00 64.41 C ATOM 1647 O GLU A 102 1.430 -17.202 13.655 1.00 53.51 O ATOM 1648 CB GLU A 102 2.961 -14.678 14.179 1.00 3.21 C ATOM 1649 CG GLU A 102 4.083 -14.407 13.191 1.00 3.41 C ATOM 1650 CD GLU A 102 5.382 -14.024 13.874 1.00 41.11 C ATOM 1651 OE1 GLU A 102 5.351 -13.742 15.090 1.00 4.41 O ATOM 1652 OE2 GLU A 102 6.428 -14.006 13.193 1.00 64.33 O ATOM 0 H GLU A 102 1.118 -13.071 14.568 1.00 31.50 H new ATOM 0 HA GLU A 102 1.714 -14.866 12.439 1.00 11.02 H new ATOM 0 HB2 GLU A 102 2.921 -13.864 14.903 1.00 3.21 H new ATOM 0 HB3 GLU A 102 3.189 -15.588 14.734 1.00 3.21 H new ATOM 0 HG2 GLU A 102 4.246 -15.295 12.580 1.00 3.41 H new ATOM 0 HG3 GLU A 102 3.782 -13.606 12.516 1.00 3.41 H new TER 1659 GLU A 102