USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0574 (180deg=-0.358) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00303) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0651 K(o=-0.065,f=-1.8!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.8 K(o=-1.8,f=-1.2) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.45 K(o=-1.5,f=-2) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -150:sc= -1.25 (180deg=-4.79!) USER MOD Single : A 110 ASN : amide:sc=-0.00453 K(o=-0.0045,f=-1.2) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0669 USER MOD Single : A 121 ASN : amide:sc= -2.23 X(o=-2.2,f=-1.8) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= -0.235 K(o=-0.24,f=-1.9) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 144 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.051) USER MOD Single : A 169 THR OG1 : rot 120:sc= -1.26 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 21 N TYR A 40 20.618 1.035 30.244 1.00 40.12 N ATOM 22 CA TYR A 40 20.895 1.483 28.883 1.00 25.44 C ATOM 23 C TYR A 40 22.159 0.824 28.339 1.00 25.21 C ATOM 24 O TYR A 40 23.108 0.570 29.082 1.00 54.43 O ATOM 25 CB TYR A 40 21.043 3.006 28.846 1.00 21.15 C ATOM 26 CG TYR A 40 22.026 3.543 29.864 1.00 44.34 C ATOM 27 CD1 TYR A 40 23.392 3.523 29.617 1.00 12.52 C ATOM 28 CD2 TYR A 40 21.585 4.073 31.070 1.00 52.11 C ATOM 29 CE1 TYR A 40 24.292 4.011 30.543 1.00 32.40 C ATOM 30 CE2 TYR A 40 22.478 4.566 32.002 1.00 54.43 C ATOM 31 CZ TYR A 40 23.831 4.532 31.734 1.00 70.01 C ATOM 32 OH TYR A 40 24.724 5.022 32.659 1.00 54.03 O ATOM 0 HA TYR A 40 20.055 1.190 28.253 1.00 25.44 H new ATOM 0 HB2 TYR A 40 21.364 3.308 27.849 1.00 21.15 H new ATOM 0 HB3 TYR A 40 20.068 3.462 29.019 1.00 21.15 H new ATOM 0 HD1 TYR A 40 23.757 3.119 28.684 1.00 12.52 H new ATOM 0 HD2 TYR A 40 20.526 4.100 31.283 1.00 52.11 H new ATOM 0 HE1 TYR A 40 25.352 3.985 30.336 1.00 32.40 H new ATOM 0 HE2 TYR A 40 22.119 4.976 32.935 1.00 54.43 H new ATOM 0 HH TYR A 40 24.236 5.353 33.442 1.00 54.03 H new ATOM 41 N ARG A 41 22.163 0.552 27.039 1.00 42.35 N ATOM 42 CA ARG A 41 23.309 -0.077 26.394 1.00 53.40 C ATOM 43 C ARG A 41 23.941 0.862 25.371 1.00 62.10 C ATOM 44 O ARG A 41 23.253 1.669 24.744 1.00 35.22 O ATOM 45 CB ARG A 41 22.886 -1.381 25.713 1.00 65.30 C ATOM 46 CG ARG A 41 22.559 -2.499 26.688 1.00 22.14 C ATOM 47 CD ARG A 41 22.787 -3.866 26.064 1.00 55.02 C ATOM 48 NE ARG A 41 22.158 -3.981 24.751 1.00 4.53 N ATOM 49 CZ ARG A 41 20.845 -4.064 24.570 1.00 41.33 C ATOM 50 NH1 ARG A 41 20.026 -4.046 25.613 1.00 50.50 N ATOM 51 NH2 ARG A 41 20.347 -4.166 23.344 1.00 54.03 N ATOM 0 H ARG A 41 21.386 0.757 26.411 1.00 42.35 H new ATOM 0 HA ARG A 41 24.049 -0.300 27.162 1.00 53.40 H new ATOM 0 HB2 ARG A 41 22.014 -1.188 25.088 1.00 65.30 H new ATOM 0 HB3 ARG A 41 23.686 -1.711 25.050 1.00 65.30 H new ATOM 0 HG2 ARG A 41 23.177 -2.397 27.580 1.00 22.14 H new ATOM 0 HG3 ARG A 41 21.521 -2.412 27.008 1.00 22.14 H new ATOM 0 HD2 ARG A 41 23.858 -4.047 25.970 1.00 55.02 H new ATOM 0 HD3 ARG A 41 22.390 -4.637 26.725 1.00 55.02 H new ATOM 0 HE ARG A 41 22.760 -3.999 23.928 1.00 4.53 H new ATOM 0 HH11 ARG A 41 20.404 -3.968 26.557 1.00 50.50 H new ATOM 0 HH12 ARG A 41 19.018 -4.110 25.471 1.00 50.50 H new ATOM 0 HH21 ARG A 41 20.973 -4.181 22.539 1.00 54.03 H new ATOM 0 HH22 ARG A 41 19.338 -4.230 23.207 1.00 54.03 H new ATOM 62 N LYS A 42 25.254 0.752 25.207 1.00 73.41 N ATOM 63 CA LYS A 42 25.981 1.590 24.260 1.00 43.44 C ATOM 64 C LYS A 42 26.490 0.764 23.083 1.00 64.24 C ATOM 65 O LYS A 42 27.032 -0.325 23.263 1.00 13.31 O ATOM 66 CB LYS A 42 27.154 2.283 24.956 1.00 60.22 C ATOM 67 CG LYS A 42 26.745 3.490 25.782 1.00 10.05 C ATOM 68 CD LYS A 42 27.955 4.243 26.307 1.00 23.31 C ATOM 69 CE LYS A 42 27.558 5.578 26.920 1.00 13.10 C ATOM 70 NZ LYS A 42 26.999 6.510 25.901 1.00 34.44 N ATOM 0 H LYS A 42 25.838 0.090 25.718 1.00 73.41 H new ATOM 0 HA LYS A 42 25.294 2.347 23.881 1.00 43.44 H new ATOM 0 HB2 LYS A 42 27.657 1.565 25.603 1.00 60.22 H new ATOM 0 HB3 LYS A 42 27.878 2.597 24.204 1.00 60.22 H new ATOM 0 HG2 LYS A 42 26.135 4.158 25.174 1.00 10.05 H new ATOM 0 HG3 LYS A 42 26.126 3.166 26.619 1.00 10.05 H new ATOM 0 HD2 LYS A 42 28.467 3.636 27.054 1.00 23.31 H new ATOM 0 HD3 LYS A 42 28.662 4.410 25.494 1.00 23.31 H new ATOM 0 HE2 LYS A 42 26.820 5.412 27.705 1.00 13.10 H new ATOM 0 HE3 LYS A 42 28.428 6.035 27.392 1.00 13.10 H new ATOM 0 HZ1 LYS A 42 27.040 7.484 26.262 1.00 34.44 H new ATOM 0 HZ2 LYS A 42 27.556 6.441 25.025 1.00 34.44 H new ATOM 0 HZ3 LYS A 42 26.010 6.256 25.703 1.00 34.44 H new ATOM 80 N LYS A 43 26.313 1.292 21.875 1.00 22.52 N ATOM 81 CA LYS A 43 26.757 0.607 20.668 1.00 52.34 C ATOM 82 C LYS A 43 27.695 1.492 19.853 1.00 12.52 C ATOM 83 O LYS A 43 27.399 2.658 19.599 1.00 40.34 O ATOM 84 CB LYS A 43 25.553 0.201 19.815 1.00 43.20 C ATOM 85 CG LYS A 43 25.923 -0.617 18.590 1.00 65.44 C ATOM 86 CD LYS A 43 25.913 -2.105 18.890 1.00 13.41 C ATOM 87 CE LYS A 43 27.306 -2.615 19.225 1.00 32.15 C ATOM 88 NZ LYS A 43 28.067 -2.996 18.003 1.00 31.33 N ATOM 0 H LYS A 43 25.865 2.193 21.707 1.00 22.52 H new ATOM 0 HA LYS A 43 27.301 -0.289 20.968 1.00 52.34 H new ATOM 0 HB2 LYS A 43 24.860 -0.374 20.430 1.00 43.20 H new ATOM 0 HB3 LYS A 43 25.025 1.100 19.496 1.00 43.20 H new ATOM 0 HG2 LYS A 43 25.222 -0.403 17.783 1.00 65.44 H new ATOM 0 HG3 LYS A 43 26.912 -0.322 18.240 1.00 65.44 H new ATOM 0 HD2 LYS A 43 25.241 -2.305 19.725 1.00 13.41 H new ATOM 0 HD3 LYS A 43 25.523 -2.648 18.029 1.00 13.41 H new ATOM 0 HE2 LYS A 43 27.854 -1.845 19.768 1.00 32.15 H new ATOM 0 HE3 LYS A 43 27.227 -3.477 19.887 1.00 32.15 H new ATOM 0 HZ1 LYS A 43 29.011 -3.338 18.274 1.00 31.33 H new ATOM 0 HZ2 LYS A 43 27.558 -3.749 17.498 1.00 31.33 H new ATOM 0 HZ3 LYS A 43 28.165 -2.167 17.382 1.00 31.33 H new ATOM 98 N GLY A 44 28.829 0.928 19.447 1.00 11.43 N ATOM 99 CA GLY A 44 29.792 1.680 18.664 1.00 32.25 C ATOM 100 C GLY A 44 29.658 1.422 17.176 1.00 21.43 C ATOM 101 O GLY A 44 28.935 0.518 16.758 1.00 63.14 O ATOM 0 H GLY A 44 29.098 -0.036 19.646 1.00 11.43 H new ATOM 0 HA2 GLY A 44 29.661 2.745 18.858 1.00 32.25 H new ATOM 0 HA3 GLY A 44 30.800 1.419 18.986 1.00 32.25 H new ATOM 105 N LYS A 45 30.355 2.221 16.375 1.00 41.33 N ATOM 106 CA LYS A 45 30.311 2.077 14.924 1.00 3.10 C ATOM 107 C LYS A 45 31.468 1.217 14.427 1.00 34.14 C ATOM 108 O LYS A 45 32.362 1.701 13.736 1.00 61.52 O ATOM 109 CB LYS A 45 30.357 3.451 14.253 1.00 71.45 C ATOM 110 CG LYS A 45 29.356 4.441 14.822 1.00 3.02 C ATOM 111 CD LYS A 45 27.931 3.923 14.703 1.00 33.33 C ATOM 112 CE LYS A 45 26.915 5.010 15.016 1.00 72.41 C ATOM 113 NZ LYS A 45 26.741 5.950 13.875 1.00 65.15 N ATOM 0 H LYS A 45 30.957 2.975 16.706 1.00 41.33 H new ATOM 0 HA LYS A 45 29.376 1.583 14.661 1.00 3.10 H new ATOM 0 HB2 LYS A 45 31.361 3.863 14.356 1.00 71.45 H new ATOM 0 HB3 LYS A 45 30.170 3.331 13.186 1.00 71.45 H new ATOM 0 HG2 LYS A 45 29.588 4.633 15.869 1.00 3.02 H new ATOM 0 HG3 LYS A 45 29.444 5.392 14.296 1.00 3.02 H new ATOM 0 HD2 LYS A 45 27.763 3.546 13.694 1.00 33.33 H new ATOM 0 HD3 LYS A 45 27.790 3.084 15.384 1.00 33.33 H new ATOM 0 HE2 LYS A 45 25.956 4.552 15.259 1.00 72.41 H new ATOM 0 HE3 LYS A 45 27.236 5.564 15.898 1.00 72.41 H new ATOM 0 HZ1 LYS A 45 26.016 6.656 14.114 1.00 65.15 H new ATOM 0 HZ2 LYS A 45 27.642 6.431 13.681 1.00 65.15 H new ATOM 0 HZ3 LYS A 45 26.443 5.420 13.031 1.00 65.15 H new ATOM 123 N GLY A 46 31.443 -0.065 14.783 1.00 63.42 N ATOM 124 CA GLY A 46 32.495 -0.971 14.363 1.00 50.33 C ATOM 125 C GLY A 46 32.538 -1.152 12.859 1.00 41.44 C ATOM 126 O GLY A 46 31.523 -1.457 12.233 1.00 53.52 O ATOM 0 H GLY A 46 30.713 -0.491 15.354 1.00 63.42 H new ATOM 0 HA2 GLY A 46 33.457 -0.591 14.708 1.00 50.33 H new ATOM 0 HA3 GLY A 46 32.347 -1.941 14.838 1.00 50.33 H new ATOM 130 N LYS A 47 33.717 -0.962 12.275 1.00 1.11 N ATOM 131 CA LYS A 47 33.890 -1.106 10.835 1.00 64.15 C ATOM 132 C LYS A 47 34.145 -2.562 10.459 1.00 60.12 C ATOM 133 O LYS A 47 34.740 -3.316 11.229 1.00 52.53 O ATOM 134 CB LYS A 47 35.048 -0.232 10.349 1.00 33.13 C ATOM 135 CG LYS A 47 34.634 1.184 9.991 1.00 22.12 C ATOM 136 CD LYS A 47 34.126 1.941 11.207 1.00 72.15 C ATOM 137 CE LYS A 47 34.299 3.443 11.041 1.00 72.23 C ATOM 138 NZ LYS A 47 33.251 4.028 10.158 1.00 0.03 N ATOM 0 H LYS A 47 34.567 -0.708 12.778 1.00 1.11 H new ATOM 0 HA LYS A 47 32.969 -0.781 10.350 1.00 64.15 H new ATOM 0 HB2 LYS A 47 35.813 -0.193 11.125 1.00 33.13 H new ATOM 0 HB3 LYS A 47 35.503 -0.700 9.476 1.00 33.13 H new ATOM 0 HG2 LYS A 47 35.483 1.714 9.560 1.00 22.12 H new ATOM 0 HG3 LYS A 47 33.856 1.155 9.228 1.00 22.12 H new ATOM 0 HD2 LYS A 47 33.073 1.710 11.366 1.00 72.15 H new ATOM 0 HD3 LYS A 47 34.663 1.608 12.095 1.00 72.15 H new ATOM 0 HE2 LYS A 47 34.260 3.923 12.019 1.00 72.23 H new ATOM 0 HE3 LYS A 47 35.284 3.651 10.623 1.00 72.23 H new ATOM 0 HZ1 LYS A 47 33.404 5.053 10.070 1.00 0.03 H new ATOM 0 HZ2 LYS A 47 33.305 3.588 9.217 1.00 0.03 H new ATOM 0 HZ3 LYS A 47 32.312 3.852 10.570 1.00 0.03 H new ATOM 148 N GLY A 48 33.693 -2.951 9.271 1.00 5.35 N ATOM 149 CA GLY A 48 33.883 -4.315 8.815 1.00 72.02 C ATOM 150 C GLY A 48 35.110 -4.467 7.938 1.00 74.21 C ATOM 151 O GLY A 48 36.218 -4.672 8.436 1.00 23.05 O ATOM 0 H GLY A 48 33.198 -2.345 8.616 1.00 5.35 H new ATOM 0 HA2 GLY A 48 33.973 -4.974 9.678 1.00 72.02 H new ATOM 0 HA3 GLY A 48 33.001 -4.636 8.260 1.00 72.02 H new ATOM 155 N THR A 49 34.914 -4.368 6.626 1.00 14.14 N ATOM 156 CA THR A 49 36.013 -4.500 5.678 1.00 61.41 C ATOM 157 C THR A 49 36.620 -5.896 5.729 1.00 10.13 C ATOM 158 O THR A 49 37.842 -6.055 5.735 1.00 25.04 O ATOM 159 CB THR A 49 37.118 -3.461 5.952 1.00 54.11 C ATOM 160 OG1 THR A 49 36.532 -2.197 6.282 1.00 31.32 O ATOM 161 CG2 THR A 49 38.026 -3.305 4.742 1.00 0.42 C ATOM 0 H THR A 49 34.005 -4.197 6.197 1.00 14.14 H new ATOM 0 HA THR A 49 35.597 -4.325 4.686 1.00 61.41 H new ATOM 0 HB THR A 49 37.716 -3.813 6.792 1.00 54.11 H new ATOM 0 HG1 THR A 49 37.241 -1.543 6.456 1.00 31.32 H new ATOM 0 HG21 THR A 49 38.798 -2.567 4.959 1.00 0.42 H new ATOM 0 HG22 THR A 49 38.494 -4.262 4.512 1.00 0.42 H new ATOM 0 HG23 THR A 49 37.438 -2.974 3.886 1.00 0.42 H new ATOM 169 N THR A 50 35.761 -6.910 5.763 1.00 4.42 N ATOM 170 CA THR A 50 36.212 -8.295 5.814 1.00 63.33 C ATOM 171 C THR A 50 37.164 -8.604 4.664 1.00 22.04 C ATOM 172 O THR A 50 36.857 -8.342 3.502 1.00 24.11 O ATOM 173 CB THR A 50 35.025 -9.274 5.760 1.00 11.03 C ATOM 174 OG1 THR A 50 34.017 -8.777 4.872 1.00 73.33 O ATOM 175 CG2 THR A 50 34.430 -9.480 7.145 1.00 4.04 C ATOM 0 H THR A 50 34.747 -6.797 5.756 1.00 4.42 H new ATOM 0 HA THR A 50 36.736 -8.423 6.761 1.00 63.33 H new ATOM 0 HB THR A 50 35.391 -10.232 5.392 1.00 11.03 H new ATOM 0 HG1 THR A 50 33.267 -9.407 4.843 1.00 73.33 H new ATOM 0 HG21 THR A 50 33.593 -10.175 7.082 1.00 4.04 H new ATOM 0 HG22 THR A 50 35.191 -9.887 7.811 1.00 4.04 H new ATOM 0 HG23 THR A 50 34.079 -8.525 7.536 1.00 4.04 H new ATOM 183 N VAL A 51 38.322 -9.165 4.997 1.00 31.15 N ATOM 184 CA VAL A 51 39.320 -9.513 3.992 1.00 14.40 C ATOM 185 C VAL A 51 39.980 -10.849 4.314 1.00 54.14 C ATOM 186 O VAL A 51 39.842 -11.373 5.418 1.00 50.12 O ATOM 187 CB VAL A 51 40.407 -8.428 3.882 1.00 50.32 C ATOM 188 CG1 VAL A 51 39.848 -7.177 3.223 1.00 41.44 C ATOM 189 CG2 VAL A 51 40.980 -8.107 5.254 1.00 13.15 C ATOM 0 H VAL A 51 38.592 -9.388 5.955 1.00 31.15 H new ATOM 0 HA VAL A 51 38.797 -9.590 3.039 1.00 14.40 H new ATOM 0 HB VAL A 51 41.214 -8.809 3.257 1.00 50.32 H new ATOM 0 HG11 VAL A 51 40.631 -6.421 3.154 1.00 41.44 H new ATOM 0 HG12 VAL A 51 39.490 -7.421 2.223 1.00 41.44 H new ATOM 0 HG13 VAL A 51 39.022 -6.790 3.819 1.00 41.44 H new ATOM 0 HG21 VAL A 51 41.747 -7.338 5.157 1.00 13.15 H new ATOM 0 HG22 VAL A 51 40.184 -7.746 5.905 1.00 13.15 H new ATOM 0 HG23 VAL A 51 41.420 -9.007 5.684 1.00 13.15 H new ATOM 199 N GLY A 52 40.701 -11.396 3.339 1.00 51.45 N ATOM 200 CA GLY A 52 41.374 -12.666 3.537 1.00 2.31 C ATOM 201 C GLY A 52 42.176 -13.094 2.323 1.00 1.24 C ATOM 202 O GLY A 52 41.973 -12.578 1.224 1.00 24.41 O ATOM 0 H GLY A 52 40.831 -10.982 2.416 1.00 51.45 H new ATOM 0 HA2 GLY A 52 42.037 -12.592 4.399 1.00 2.31 H new ATOM 0 HA3 GLY A 52 40.635 -13.433 3.769 1.00 2.31 H new ATOM 206 N MET A 53 43.089 -14.038 2.523 1.00 53.43 N ATOM 207 CA MET A 53 43.925 -14.534 1.435 1.00 45.35 C ATOM 208 C MET A 53 44.597 -15.848 1.821 1.00 45.13 C ATOM 209 O MET A 53 44.983 -16.044 2.972 1.00 4.44 O ATOM 210 CB MET A 53 44.985 -13.495 1.063 1.00 20.32 C ATOM 211 CG MET A 53 45.872 -13.088 2.229 1.00 53.54 C ATOM 212 SD MET A 53 47.354 -14.108 2.362 1.00 65.44 S ATOM 213 CE MET A 53 48.184 -13.320 3.739 1.00 62.40 C ATOM 0 H MET A 53 43.269 -14.475 3.427 1.00 53.43 H new ATOM 0 HA MET A 53 43.285 -14.714 0.571 1.00 45.35 H new ATOM 0 HB2 MET A 53 45.610 -13.895 0.264 1.00 20.32 H new ATOM 0 HB3 MET A 53 44.490 -12.608 0.667 1.00 20.32 H new ATOM 0 HG2 MET A 53 46.163 -12.044 2.112 1.00 53.54 H new ATOM 0 HG3 MET A 53 45.303 -13.158 3.156 1.00 53.54 H new ATOM 0 HE1 MET A 53 49.121 -13.838 3.944 1.00 62.40 H new ATOM 0 HE2 MET A 53 48.392 -12.279 3.491 1.00 62.40 H new ATOM 0 HE3 MET A 53 47.545 -13.362 4.621 1.00 62.40 H new ATOM 221 N GLY A 54 44.732 -16.746 0.849 1.00 32.50 N ATOM 222 CA GLY A 54 45.358 -18.030 1.108 1.00 23.40 C ATOM 223 C GLY A 54 44.891 -19.105 0.148 1.00 11.42 C ATOM 224 O GLY A 54 45.286 -19.123 -1.017 1.00 54.33 O ATOM 0 H GLY A 54 44.419 -16.607 -0.112 1.00 32.50 H new ATOM 0 HA2 GLY A 54 46.440 -17.925 1.033 1.00 23.40 H new ATOM 0 HA3 GLY A 54 45.138 -18.339 2.130 1.00 23.40 H new ATOM 266 N ARG A 58 35.727 -25.401 0.701 1.00 72.45 N ATOM 267 CA ARG A 58 34.434 -25.926 0.279 1.00 30.43 C ATOM 268 C ARG A 58 33.588 -26.320 1.487 1.00 73.13 C ATOM 269 O ARG A 58 33.588 -27.477 1.906 1.00 34.13 O ATOM 270 CB ARG A 58 34.625 -27.135 -0.639 1.00 64.54 C ATOM 271 CG ARG A 58 35.294 -26.795 -1.961 1.00 71.52 C ATOM 272 CD ARG A 58 35.132 -27.919 -2.972 1.00 43.41 C ATOM 273 NE ARG A 58 36.159 -28.946 -2.820 1.00 23.05 N ATOM 274 CZ ARG A 58 36.229 -30.034 -3.577 1.00 53.01 C ATOM 275 NH1 ARG A 58 35.337 -30.236 -4.537 1.00 31.32 N ATOM 276 NH2 ARG A 58 37.194 -30.922 -3.377 1.00 13.21 N ATOM 0 HA ARG A 58 33.912 -25.141 -0.269 1.00 30.43 H new ATOM 0 HB2 ARG A 58 35.224 -27.884 -0.120 1.00 64.54 H new ATOM 0 HB3 ARG A 58 33.653 -27.586 -0.839 1.00 64.54 H new ATOM 0 HG2 ARG A 58 34.863 -25.878 -2.363 1.00 71.52 H new ATOM 0 HG3 ARG A 58 36.354 -26.603 -1.795 1.00 71.52 H new ATOM 0 HD2 ARG A 58 34.147 -28.372 -2.856 1.00 43.41 H new ATOM 0 HD3 ARG A 58 35.177 -27.508 -3.981 1.00 43.41 H new ATOM 0 HE ARG A 58 36.862 -28.820 -2.091 1.00 23.05 H new ATOM 0 HH11 ARG A 58 34.595 -29.554 -4.695 1.00 31.32 H new ATOM 0 HH12 ARG A 58 35.393 -31.073 -5.117 1.00 31.32 H new ATOM 0 HH21 ARG A 58 37.883 -30.769 -2.641 1.00 13.21 H new ATOM 0 HH22 ARG A 58 37.247 -31.758 -3.959 1.00 13.21 H new ATOM 287 N ARG A 59 32.870 -25.349 2.041 1.00 41.44 N ATOM 288 CA ARG A 59 32.021 -25.594 3.201 1.00 65.11 C ATOM 289 C ARG A 59 31.258 -24.331 3.593 1.00 75.11 C ATOM 290 O ARG A 59 31.829 -23.241 3.651 1.00 53.51 O ATOM 291 CB ARG A 59 32.862 -26.081 4.381 1.00 23.12 C ATOM 292 CG ARG A 59 34.076 -25.212 4.664 1.00 70.31 C ATOM 293 CD ARG A 59 34.499 -25.303 6.122 1.00 74.33 C ATOM 294 NE ARG A 59 35.862 -25.810 6.265 1.00 20.13 N ATOM 295 CZ ARG A 59 36.185 -27.093 6.143 1.00 61.52 C ATOM 296 NH1 ARG A 59 35.249 -27.993 5.877 1.00 55.35 N ATOM 297 NH2 ARG A 59 37.448 -27.477 6.288 1.00 43.53 N ATOM 0 H ARG A 59 32.859 -24.386 1.706 1.00 41.44 H new ATOM 0 HA ARG A 59 31.299 -26.366 2.935 1.00 65.11 H new ATOM 0 HB2 ARG A 59 32.236 -26.117 5.272 1.00 23.12 H new ATOM 0 HB3 ARG A 59 33.194 -27.100 4.184 1.00 23.12 H new ATOM 0 HG2 ARG A 59 34.903 -25.521 4.024 1.00 70.31 H new ATOM 0 HG3 ARG A 59 33.849 -24.176 4.414 1.00 70.31 H new ATOM 0 HD2 ARG A 59 34.428 -24.317 6.582 1.00 74.33 H new ATOM 0 HD3 ARG A 59 33.811 -25.956 6.659 1.00 74.33 H new ATOM 0 HE ARG A 59 36.606 -25.143 6.470 1.00 20.13 H new ATOM 0 HH11 ARG A 59 34.278 -27.701 5.765 1.00 55.35 H new ATOM 0 HH12 ARG A 59 35.500 -28.977 5.784 1.00 55.35 H new ATOM 0 HH21 ARG A 59 38.171 -26.787 6.493 1.00 43.53 H new ATOM 0 HH22 ARG A 59 37.696 -28.462 6.194 1.00 43.53 H new ATOM 308 N PHE A 60 29.966 -24.486 3.860 1.00 25.30 N ATOM 309 CA PHE A 60 29.125 -23.358 4.245 1.00 4.54 C ATOM 310 C PHE A 60 27.982 -23.815 5.147 1.00 22.52 C ATOM 311 O PHE A 60 27.531 -24.958 5.064 1.00 70.01 O ATOM 312 CB PHE A 60 28.562 -22.666 3.001 1.00 14.14 C ATOM 313 CG PHE A 60 27.716 -23.566 2.146 1.00 2.22 C ATOM 314 CD1 PHE A 60 26.351 -23.666 2.362 1.00 20.34 C ATOM 315 CD2 PHE A 60 28.286 -24.310 1.126 1.00 1.25 C ATOM 316 CE1 PHE A 60 25.570 -24.494 1.578 1.00 74.30 C ATOM 317 CE2 PHE A 60 27.510 -25.140 0.338 1.00 62.10 C ATOM 318 CZ PHE A 60 26.150 -25.230 0.563 1.00 20.24 C ATOM 0 H PHE A 60 29.478 -25.381 3.817 1.00 25.30 H new ATOM 0 HA PHE A 60 29.741 -22.650 4.799 1.00 4.54 H new ATOM 0 HB2 PHE A 60 27.966 -21.807 3.311 1.00 14.14 H new ATOM 0 HB3 PHE A 60 29.389 -22.282 2.403 1.00 14.14 H new ATOM 0 HD1 PHE A 60 25.892 -23.090 3.152 1.00 20.34 H new ATOM 0 HD2 PHE A 60 29.348 -24.241 0.944 1.00 1.25 H new ATOM 0 HE1 PHE A 60 24.508 -24.566 1.759 1.00 74.30 H new ATOM 0 HE2 PHE A 60 27.967 -25.717 -0.452 1.00 62.10 H new ATOM 0 HZ PHE A 60 25.541 -25.875 -0.054 1.00 20.24 H new ATOM 327 N ILE A 61 27.521 -22.915 6.009 1.00 2.44 N ATOM 328 CA ILE A 61 26.432 -23.225 6.926 1.00 2.14 C ATOM 329 C ILE A 61 25.472 -22.047 7.058 1.00 51.40 C ATOM 330 O ILE A 61 25.880 -20.935 7.388 1.00 63.12 O ATOM 331 CB ILE A 61 26.961 -23.599 8.324 1.00 34.31 C ATOM 332 CG1 ILE A 61 27.927 -24.783 8.227 1.00 61.31 C ATOM 333 CG2 ILE A 61 25.806 -23.927 9.258 1.00 62.33 C ATOM 334 CD1 ILE A 61 27.274 -26.056 7.736 1.00 30.14 C ATOM 0 H ILE A 61 27.885 -21.966 6.091 1.00 2.44 H new ATOM 0 HA ILE A 61 25.901 -24.079 6.506 1.00 2.14 H new ATOM 0 HB ILE A 61 27.501 -22.745 8.732 1.00 34.31 H new ATOM 0 HG12 ILE A 61 28.744 -24.521 7.555 1.00 61.31 H new ATOM 0 HG13 ILE A 61 28.366 -24.964 9.208 1.00 61.31 H new ATOM 0 HG21 ILE A 61 26.196 -24.189 10.241 1.00 62.33 H new ATOM 0 HG22 ILE A 61 25.152 -23.059 9.347 1.00 62.33 H new ATOM 0 HG23 ILE A 61 25.241 -24.768 8.856 1.00 62.33 H new ATOM 0 HD11 ILE A 61 28.017 -26.852 7.692 1.00 30.14 H new ATOM 0 HD12 ILE A 61 26.475 -26.342 8.420 1.00 30.14 H new ATOM 0 HD13 ILE A 61 26.859 -25.892 6.742 1.00 30.14 H new ATOM 345 N ASN A 62 24.193 -22.301 6.799 1.00 73.01 N ATOM 346 CA ASN A 62 23.173 -21.263 6.890 1.00 72.32 C ATOM 347 C ASN A 62 21.780 -21.848 6.682 1.00 13.01 C ATOM 348 O ASN A 62 21.553 -22.619 5.750 1.00 42.13 O ATOM 349 CB ASN A 62 23.439 -20.168 5.855 1.00 64.34 C ATOM 350 CG ASN A 62 22.762 -18.858 6.212 1.00 15.23 C ATOM 351 OD1 ASN A 62 22.455 -18.603 7.376 1.00 72.42 O ATOM 352 ND2 ASN A 62 22.525 -18.021 5.208 1.00 35.11 N ATOM 0 H ASN A 62 23.839 -23.217 6.524 1.00 73.01 H new ATOM 0 HA ASN A 62 23.219 -20.829 7.889 1.00 72.32 H new ATOM 0 HB2 ASN A 62 24.514 -20.007 5.769 1.00 64.34 H new ATOM 0 HB3 ASN A 62 23.087 -20.501 4.879 1.00 64.34 H new ATOM 0 HD21 ASN A 62 22.071 -17.125 5.387 1.00 35.11 H new ATOM 0 HD22 ASN A 62 22.797 -18.274 4.258 1.00 35.11 H new ATOM 358 N MET A 63 20.852 -21.476 7.556 1.00 63.12 N ATOM 359 CA MET A 63 19.479 -21.962 7.467 1.00 33.20 C ATOM 360 C MET A 63 18.596 -21.290 8.513 1.00 10.35 C ATOM 361 O MET A 63 18.837 -21.412 9.714 1.00 34.52 O ATOM 362 CB MET A 63 19.442 -23.481 7.649 1.00 62.42 C ATOM 363 CG MET A 63 18.251 -24.143 6.977 1.00 0.50 C ATOM 364 SD MET A 63 18.460 -25.925 6.792 1.00 2.33 S ATOM 365 CE MET A 63 18.707 -26.055 5.023 1.00 62.22 C ATOM 0 H MET A 63 21.025 -20.840 8.334 1.00 63.12 H new ATOM 0 HA MET A 63 19.093 -21.712 6.479 1.00 33.20 H new ATOM 0 HB2 MET A 63 20.360 -23.910 7.247 1.00 62.42 H new ATOM 0 HB3 MET A 63 19.422 -23.711 8.714 1.00 62.42 H new ATOM 0 HG2 MET A 63 17.353 -23.945 7.562 1.00 0.50 H new ATOM 0 HG3 MET A 63 18.097 -23.695 5.995 1.00 0.50 H new ATOM 0 HE1 MET A 63 18.851 -27.101 4.752 1.00 62.22 H new ATOM 0 HE2 MET A 63 17.833 -25.663 4.504 1.00 62.22 H new ATOM 0 HE3 MET A 63 19.588 -25.481 4.735 1.00 62.22 H new ATOM 373 N TYR A 64 17.572 -20.583 8.049 1.00 61.41 N ATOM 374 CA TYR A 64 16.653 -19.890 8.945 1.00 30.55 C ATOM 375 C TYR A 64 15.498 -19.268 8.167 1.00 23.43 C ATOM 376 O TYR A 64 15.622 -18.971 6.980 1.00 13.03 O ATOM 377 CB TYR A 64 17.395 -18.806 9.731 1.00 12.33 C ATOM 378 CG TYR A 64 17.907 -17.676 8.869 1.00 62.22 C ATOM 379 CD1 TYR A 64 17.309 -16.422 8.906 1.00 53.35 C ATOM 380 CD2 TYR A 64 18.988 -17.861 8.016 1.00 71.41 C ATOM 381 CE1 TYR A 64 17.774 -15.386 8.119 1.00 2.22 C ATOM 382 CE2 TYR A 64 19.460 -16.830 7.227 1.00 52.40 C ATOM 383 CZ TYR A 64 18.849 -15.595 7.281 1.00 21.23 C ATOM 384 OH TYR A 64 19.316 -14.566 6.496 1.00 63.32 O ATOM 0 H TYR A 64 17.357 -20.474 7.058 1.00 61.41 H new ATOM 0 HA TYR A 64 16.245 -20.622 9.642 1.00 30.55 H new ATOM 0 HB2 TYR A 64 16.727 -18.399 10.490 1.00 12.33 H new ATOM 0 HB3 TYR A 64 18.235 -19.261 10.256 1.00 12.33 H new ATOM 0 HD1 TYR A 64 16.467 -16.255 9.561 1.00 53.35 H new ATOM 0 HD2 TYR A 64 19.468 -18.828 7.969 1.00 71.41 H new ATOM 0 HE1 TYR A 64 17.298 -14.417 8.160 1.00 2.22 H new ATOM 0 HE2 TYR A 64 20.303 -16.990 6.571 1.00 52.40 H new ATOM 0 HH TYR A 64 20.078 -14.879 5.966 1.00 63.32 H new ATOM 393 N GLY A 65 14.373 -19.073 8.847 1.00 4.32 N ATOM 394 CA GLY A 65 13.210 -18.487 8.205 1.00 2.34 C ATOM 395 C GLY A 65 11.975 -18.539 9.083 1.00 75.03 C ATOM 396 O GLY A 65 11.619 -19.597 9.603 1.00 11.01 O ATOM 0 H GLY A 65 14.246 -19.310 9.831 1.00 4.32 H new ATOM 0 HA2 GLY A 65 13.425 -17.450 7.947 1.00 2.34 H new ATOM 0 HA3 GLY A 65 13.011 -19.013 7.271 1.00 2.34 H new ATOM 400 N PHE A 66 11.320 -17.396 9.249 1.00 63.23 N ATOM 401 CA PHE A 66 10.119 -17.315 10.071 1.00 24.11 C ATOM 402 C PHE A 66 9.326 -16.049 9.754 1.00 33.41 C ATOM 403 O PHE A 66 9.900 -14.978 9.558 1.00 2.03 O ATOM 404 CB PHE A 66 10.489 -17.339 11.555 1.00 13.05 C ATOM 405 CG PHE A 66 10.525 -18.721 12.142 1.00 43.21 C ATOM 406 CD1 PHE A 66 9.382 -19.503 12.176 1.00 0.42 C ATOM 407 CD2 PHE A 66 11.702 -19.239 12.658 1.00 0.25 C ATOM 408 CE1 PHE A 66 9.412 -20.775 12.716 1.00 23.01 C ATOM 409 CE2 PHE A 66 11.737 -20.511 13.199 1.00 75.24 C ATOM 410 CZ PHE A 66 10.591 -21.280 13.226 1.00 35.22 C ATOM 0 H PHE A 66 11.601 -16.512 8.825 1.00 63.23 H new ATOM 0 HA PHE A 66 9.495 -18.180 9.844 1.00 24.11 H new ATOM 0 HB2 PHE A 66 11.465 -16.872 11.685 1.00 13.05 H new ATOM 0 HB3 PHE A 66 9.771 -16.736 12.110 1.00 13.05 H new ATOM 0 HD1 PHE A 66 8.457 -19.114 11.776 1.00 0.42 H new ATOM 0 HD2 PHE A 66 12.602 -18.643 12.637 1.00 0.25 H new ATOM 0 HE1 PHE A 66 8.513 -21.374 12.739 1.00 23.01 H new ATOM 0 HE2 PHE A 66 12.660 -20.903 13.600 1.00 75.24 H new ATOM 0 HZ PHE A 66 10.617 -22.275 13.645 1.00 35.22 H new ATOM 419 N ASP A 67 8.005 -16.183 9.706 1.00 74.33 N ATOM 420 CA ASP A 67 7.133 -15.051 9.413 1.00 33.32 C ATOM 421 C ASP A 67 5.667 -15.445 9.557 1.00 23.23 C ATOM 422 O ASP A 67 4.941 -15.603 8.575 1.00 63.54 O ATOM 423 CB ASP A 67 7.397 -14.528 8.000 1.00 31.12 C ATOM 424 CG ASP A 67 6.855 -13.129 7.790 1.00 23.24 C ATOM 425 OD1 ASP A 67 7.660 -12.174 7.788 1.00 61.21 O ATOM 426 OD2 ASP A 67 5.625 -12.988 7.627 1.00 64.10 O ATOM 0 H ASP A 67 7.515 -17.063 9.866 1.00 74.33 H new ATOM 0 HA ASP A 67 7.351 -14.260 10.131 1.00 33.32 H new ATOM 0 HB2 ASP A 67 8.470 -14.531 7.809 1.00 31.12 H new ATOM 0 HB3 ASP A 67 6.942 -15.203 7.275 1.00 31.12 H new ATOM 430 N PRO A 68 5.218 -15.608 10.811 1.00 34.00 N ATOM 431 CA PRO A 68 3.834 -15.986 11.113 1.00 31.13 C ATOM 432 C PRO A 68 2.847 -14.867 10.802 1.00 64.44 C ATOM 433 O PRO A 68 3.236 -13.711 10.628 1.00 4.21 O ATOM 434 CB PRO A 68 3.864 -16.269 12.618 1.00 32.41 C ATOM 435 CG PRO A 68 5.005 -15.460 13.132 1.00 60.43 C ATOM 436 CD PRO A 68 6.027 -15.437 12.030 1.00 63.24 C ATOM 0 HA PRO A 68 3.502 -16.833 10.512 1.00 31.13 H new ATOM 0 HB2 PRO A 68 2.927 -15.980 13.094 1.00 32.41 H new ATOM 0 HB3 PRO A 68 4.009 -17.331 12.819 1.00 32.41 H new ATOM 0 HG2 PRO A 68 4.684 -14.450 13.387 1.00 60.43 H new ATOM 0 HG3 PRO A 68 5.419 -15.901 14.039 1.00 60.43 H new ATOM 0 HD2 PRO A 68 6.582 -14.499 12.016 1.00 63.24 H new ATOM 0 HD3 PRO A 68 6.758 -16.238 12.143 1.00 63.24 H new ATOM 441 N THR A 69 1.566 -15.216 10.732 1.00 22.34 N ATOM 442 CA THR A 69 0.522 -14.241 10.441 1.00 72.12 C ATOM 443 C THR A 69 -0.828 -14.706 10.973 1.00 43.11 C ATOM 444 O THR A 69 -0.944 -15.797 11.530 1.00 51.51 O ATOM 445 CB THR A 69 0.403 -13.982 8.928 1.00 61.42 C ATOM 446 OG1 THR A 69 0.564 -15.208 8.206 1.00 64.31 O ATOM 447 CG2 THR A 69 1.446 -12.976 8.467 1.00 73.41 C ATOM 0 H THR A 69 1.226 -16.167 10.873 1.00 22.34 H new ATOM 0 HA THR A 69 0.806 -13.315 10.940 1.00 72.12 H new ATOM 0 HB THR A 69 -0.587 -13.572 8.730 1.00 61.42 H new ATOM 0 HG1 THR A 69 0.485 -15.034 7.245 1.00 64.31 H new ATOM 0 HG21 THR A 69 1.342 -12.809 7.395 1.00 73.41 H new ATOM 0 HG22 THR A 69 1.302 -12.034 8.996 1.00 73.41 H new ATOM 0 HG23 THR A 69 2.443 -13.362 8.679 1.00 73.41 H new ATOM 468 N TYR A 71 -5.494 -13.955 10.544 1.00 70.53 N ATOM 469 CA TYR A 71 -6.596 -13.397 9.767 1.00 15.45 C ATOM 470 C TYR A 71 -7.594 -12.685 10.674 1.00 50.04 C ATOM 471 O TYR A 71 -7.373 -12.551 11.877 1.00 15.55 O ATOM 472 CB TYR A 71 -7.303 -14.503 8.981 1.00 32.24 C ATOM 473 CG TYR A 71 -6.356 -15.432 8.257 1.00 52.11 C ATOM 474 CD1 TYR A 71 -6.026 -15.219 6.924 1.00 74.05 C ATOM 475 CD2 TYR A 71 -5.790 -16.522 8.905 1.00 15.12 C ATOM 476 CE1 TYR A 71 -5.161 -16.065 6.258 1.00 14.30 C ATOM 477 CE2 TYR A 71 -4.923 -17.373 8.248 1.00 53.41 C ATOM 478 CZ TYR A 71 -4.612 -17.142 6.924 1.00 43.04 C ATOM 479 OH TYR A 71 -3.749 -17.987 6.264 1.00 32.54 O ATOM 0 HA TYR A 71 -6.184 -12.669 9.068 1.00 15.45 H new ATOM 0 HB2 TYR A 71 -7.919 -15.087 9.665 1.00 32.24 H new ATOM 0 HB3 TYR A 71 -7.977 -14.047 8.256 1.00 32.24 H new ATOM 0 HD1 TYR A 71 -6.453 -14.377 6.400 1.00 74.05 H new ATOM 0 HD2 TYR A 71 -6.032 -16.708 9.941 1.00 15.12 H new ATOM 0 HE1 TYR A 71 -4.916 -15.885 5.222 1.00 14.30 H new ATOM 0 HE2 TYR A 71 -4.491 -18.215 8.768 1.00 53.41 H new ATOM 0 HH TYR A 71 -3.451 -18.693 6.875 1.00 32.54 H new ATOM 488 N SER A 72 -8.695 -12.227 10.086 1.00 63.10 N ATOM 489 CA SER A 72 -9.728 -11.524 10.839 1.00 53.24 C ATOM 490 C SER A 72 -9.137 -10.335 11.590 1.00 0.30 C ATOM 491 O SER A 72 -9.098 -10.320 12.820 1.00 44.11 O ATOM 492 CB SER A 72 -10.409 -12.477 11.823 1.00 42.34 C ATOM 493 OG SER A 72 -11.631 -11.935 12.294 1.00 43.11 O ATOM 0 H SER A 72 -8.895 -12.330 9.091 1.00 63.10 H new ATOM 0 HA SER A 72 -10.470 -11.153 10.132 1.00 53.24 H new ATOM 0 HB2 SER A 72 -10.596 -13.435 11.337 1.00 42.34 H new ATOM 0 HB3 SER A 72 -9.745 -12.671 12.665 1.00 42.34 H new ATOM 0 HG SER A 72 -12.048 -12.563 12.920 1.00 43.11 H new ATOM 498 N PHE A 73 -8.678 -9.338 10.840 1.00 11.51 N ATOM 499 CA PHE A 73 -8.089 -8.144 11.434 1.00 71.22 C ATOM 500 C PHE A 73 -8.268 -6.936 10.518 1.00 55.21 C ATOM 501 O PHE A 73 -8.702 -7.071 9.374 1.00 54.33 O ATOM 502 CB PHE A 73 -6.602 -8.369 11.715 1.00 12.45 C ATOM 503 CG PHE A 73 -5.772 -8.512 10.472 1.00 54.22 C ATOM 504 CD1 PHE A 73 -5.094 -7.425 9.946 1.00 70.35 C ATOM 505 CD2 PHE A 73 -5.669 -9.736 9.829 1.00 43.52 C ATOM 506 CE1 PHE A 73 -4.329 -7.553 8.802 1.00 52.42 C ATOM 507 CE2 PHE A 73 -4.905 -9.870 8.685 1.00 51.52 C ATOM 508 CZ PHE A 73 -4.235 -8.777 8.170 1.00 11.45 C ATOM 0 H PHE A 73 -8.703 -9.334 9.820 1.00 11.51 H new ATOM 0 HA PHE A 73 -8.603 -7.945 12.374 1.00 71.22 H new ATOM 0 HB2 PHE A 73 -6.221 -7.534 12.302 1.00 12.45 H new ATOM 0 HB3 PHE A 73 -6.487 -9.266 12.324 1.00 12.45 H new ATOM 0 HD1 PHE A 73 -5.164 -6.465 10.436 1.00 70.35 H new ATOM 0 HD2 PHE A 73 -6.191 -10.594 10.226 1.00 43.52 H new ATOM 0 HE1 PHE A 73 -3.805 -6.697 8.403 1.00 52.42 H new ATOM 0 HE2 PHE A 73 -4.832 -10.829 8.194 1.00 51.52 H new ATOM 0 HZ PHE A 73 -3.639 -8.880 7.275 1.00 11.45 H new ATOM 517 N ILE A 74 -7.930 -5.758 11.031 1.00 10.31 N ATOM 518 CA ILE A 74 -8.053 -4.527 10.259 1.00 34.41 C ATOM 519 C ILE A 74 -6.700 -4.086 9.709 1.00 24.25 C ATOM 520 O ILE A 74 -5.693 -4.116 10.417 1.00 71.33 O ATOM 521 CB ILE A 74 -8.645 -3.387 11.109 1.00 41.30 C ATOM 522 CG1 ILE A 74 -10.024 -3.783 11.642 1.00 52.14 C ATOM 523 CG2 ILE A 74 -8.734 -2.108 10.291 1.00 40.25 C ATOM 524 CD1 ILE A 74 -9.972 -4.548 12.945 1.00 21.43 C ATOM 0 H ILE A 74 -7.569 -5.630 11.976 1.00 10.31 H new ATOM 0 HA ILE A 74 -8.728 -4.740 9.430 1.00 34.41 H new ATOM 0 HB ILE A 74 -7.986 -3.206 11.958 1.00 41.30 H new ATOM 0 HG12 ILE A 74 -10.622 -2.883 11.782 1.00 52.14 H new ATOM 0 HG13 ILE A 74 -10.533 -4.390 10.894 1.00 52.14 H new ATOM 0 HG21 ILE A 74 -9.154 -1.312 10.905 1.00 40.25 H new ATOM 0 HG22 ILE A 74 -7.737 -1.820 9.956 1.00 40.25 H new ATOM 0 HG23 ILE A 74 -9.374 -2.274 9.425 1.00 40.25 H new ATOM 0 HD11 ILE A 74 -10.985 -4.795 13.262 1.00 21.43 H new ATOM 0 HD12 ILE A 74 -9.401 -5.466 12.805 1.00 21.43 H new ATOM 0 HD13 ILE A 74 -9.492 -3.935 13.708 1.00 21.43 H new ATOM 535 N GLN A 75 -6.686 -3.676 8.446 1.00 44.14 N ATOM 536 CA GLN A 75 -5.458 -3.227 7.802 1.00 71.11 C ATOM 537 C GLN A 75 -5.411 -1.704 7.720 1.00 72.03 C ATOM 538 O GLN A 75 -6.205 -1.086 7.011 1.00 44.22 O ATOM 539 CB GLN A 75 -5.342 -3.828 6.401 1.00 54.53 C ATOM 540 CG GLN A 75 -4.722 -5.217 6.384 1.00 0.23 C ATOM 541 CD GLN A 75 -4.485 -5.734 4.979 1.00 23.22 C ATOM 542 OE1 GLN A 75 -5.386 -5.722 4.140 1.00 62.11 O ATOM 543 NE2 GLN A 75 -3.267 -6.192 4.714 1.00 30.23 N ATOM 0 H GLN A 75 -7.512 -3.645 7.848 1.00 44.14 H new ATOM 0 HA GLN A 75 -4.617 -3.567 8.406 1.00 71.11 H new ATOM 0 HB2 GLN A 75 -6.334 -3.877 5.952 1.00 54.53 H new ATOM 0 HB3 GLN A 75 -4.743 -3.164 5.778 1.00 54.53 H new ATOM 0 HG2 GLN A 75 -3.775 -5.194 6.923 1.00 0.23 H new ATOM 0 HG3 GLN A 75 -5.375 -5.909 6.916 1.00 0.23 H new ATOM 0 HE21 GLN A 75 -2.550 -6.183 5.439 1.00 30.23 H new ATOM 0 HE22 GLN A 75 -3.049 -6.552 3.785 1.00 30.23 H new ATOM 550 N PHE A 76 -4.475 -1.106 8.448 1.00 62.43 N ATOM 551 CA PHE A 76 -4.325 0.344 8.459 1.00 64.43 C ATOM 552 C PHE A 76 -3.428 0.807 7.315 1.00 55.20 C ATOM 553 O PHE A 76 -2.293 0.349 7.176 1.00 22.11 O ATOM 554 CB PHE A 76 -3.744 0.809 9.796 1.00 3.43 C ATOM 555 CG PHE A 76 -3.027 2.125 9.714 1.00 63.15 C ATOM 556 CD1 PHE A 76 -1.763 2.277 10.262 1.00 1.33 C ATOM 557 CD2 PHE A 76 -3.616 3.212 9.087 1.00 31.50 C ATOM 558 CE1 PHE A 76 -1.100 3.487 10.187 1.00 22.11 C ATOM 559 CE2 PHE A 76 -2.956 4.426 9.009 1.00 15.42 C ATOM 560 CZ PHE A 76 -1.697 4.563 9.560 1.00 5.05 C ATOM 0 H PHE A 76 -3.808 -1.603 9.039 1.00 62.43 H new ATOM 0 HA PHE A 76 -5.312 0.786 8.326 1.00 64.43 H new ATOM 0 HB2 PHE A 76 -4.550 0.889 10.525 1.00 3.43 H new ATOM 0 HB3 PHE A 76 -3.054 0.051 10.166 1.00 3.43 H new ATOM 0 HD1 PHE A 76 -1.291 1.439 10.754 1.00 1.33 H new ATOM 0 HD2 PHE A 76 -4.600 3.110 8.655 1.00 31.50 H new ATOM 0 HE1 PHE A 76 -0.115 3.591 10.618 1.00 22.11 H new ATOM 0 HE2 PHE A 76 -3.425 5.266 8.518 1.00 15.42 H new ATOM 0 HZ PHE A 76 -1.180 5.510 9.501 1.00 5.05 H new ATOM 569 N VAL A 77 -3.945 1.718 6.495 1.00 1.31 N ATOM 570 CA VAL A 77 -3.192 2.244 5.363 1.00 15.34 C ATOM 571 C VAL A 77 -3.441 3.736 5.183 1.00 53.14 C ATOM 572 O VAL A 77 -4.548 4.223 5.413 1.00 75.34 O ATOM 573 CB VAL A 77 -3.557 1.512 4.057 1.00 31.25 C ATOM 574 CG1 VAL A 77 -2.790 2.099 2.883 1.00 30.31 C ATOM 575 CG2 VAL A 77 -3.286 0.020 4.190 1.00 40.05 C ATOM 0 H VAL A 77 -4.883 2.107 6.594 1.00 1.31 H new ATOM 0 HA VAL A 77 -2.137 2.079 5.581 1.00 15.34 H new ATOM 0 HB VAL A 77 -4.622 1.650 3.869 1.00 31.25 H new ATOM 0 HG11 VAL A 77 -3.061 1.569 1.970 1.00 30.31 H new ATOM 0 HG12 VAL A 77 -3.039 3.155 2.777 1.00 30.31 H new ATOM 0 HG13 VAL A 77 -1.719 1.994 3.059 1.00 30.31 H new ATOM 0 HG21 VAL A 77 -3.549 -0.482 3.259 1.00 40.05 H new ATOM 0 HG22 VAL A 77 -2.229 -0.140 4.402 1.00 40.05 H new ATOM 0 HG23 VAL A 77 -3.886 -0.388 5.004 1.00 40.05 H new ATOM 585 N ASP A 78 -2.404 4.457 4.770 1.00 21.12 N ATOM 586 CA ASP A 78 -2.510 5.896 4.557 1.00 41.42 C ATOM 587 C ASP A 78 -2.118 6.265 3.129 1.00 2.25 C ATOM 588 O ASP A 78 -0.992 6.032 2.689 1.00 33.03 O ATOM 589 CB ASP A 78 -1.624 6.647 5.552 1.00 4.24 C ATOM 590 CG ASP A 78 -2.322 6.895 6.875 1.00 32.24 C ATOM 591 OD1 ASP A 78 -3.570 6.893 6.898 1.00 10.42 O ATOM 592 OD2 ASP A 78 -1.619 7.089 7.889 1.00 14.24 O ATOM 0 H ASP A 78 -1.481 4.069 4.576 1.00 21.12 H new ATOM 0 HA ASP A 78 -3.549 6.186 4.716 1.00 41.42 H new ATOM 0 HB2 ASP A 78 -0.713 6.075 5.727 1.00 4.24 H new ATOM 0 HB3 ASP A 78 -1.323 7.601 5.119 1.00 4.24 H new ATOM 596 N PRO A 79 -3.069 6.853 2.387 1.00 15.15 N ATOM 597 CA PRO A 79 -2.846 7.264 0.998 1.00 25.50 C ATOM 598 C PRO A 79 -1.891 8.449 0.891 1.00 12.23 C ATOM 599 O PRO A 79 -1.227 8.634 -0.130 1.00 4.24 O ATOM 600 CB PRO A 79 -4.245 7.659 0.517 1.00 74.52 C ATOM 601 CG PRO A 79 -4.978 8.041 1.756 1.00 14.14 C ATOM 602 CD PRO A 79 -4.433 7.160 2.847 1.00 33.45 C ATOM 0 HA PRO A 79 -2.385 6.473 0.407 1.00 25.50 H new ATOM 0 HB2 PRO A 79 -4.201 8.489 -0.189 1.00 74.52 H new ATOM 0 HB3 PRO A 79 -4.736 6.831 0.006 1.00 74.52 H new ATOM 0 HG2 PRO A 79 -4.824 9.094 1.991 1.00 14.14 H new ATOM 0 HG3 PRO A 79 -6.051 7.894 1.635 1.00 14.14 H new ATOM 0 HD2 PRO A 79 -4.427 7.670 3.810 1.00 33.45 H new ATOM 0 HD3 PRO A 79 -5.029 6.256 2.969 1.00 33.45 H new ATOM 607 N LEU A 80 -1.826 9.248 1.950 1.00 52.11 N ATOM 608 CA LEU A 80 -0.951 10.416 1.975 1.00 12.22 C ATOM 609 C LEU A 80 0.466 10.042 1.553 1.00 64.34 C ATOM 610 O LEU A 80 0.953 10.488 0.512 1.00 33.10 O ATOM 611 CB LEU A 80 -0.933 11.033 3.375 1.00 51.24 C ATOM 612 CG LEU A 80 -0.593 12.522 3.447 1.00 51.23 C ATOM 613 CD1 LEU A 80 0.826 12.770 2.960 1.00 71.30 C ATOM 614 CD2 LEU A 80 -1.588 13.336 2.631 1.00 25.12 C ATOM 0 H LEU A 80 -2.368 9.109 2.803 1.00 52.11 H new ATOM 0 HA LEU A 80 -1.340 11.148 1.267 1.00 12.22 H new ATOM 0 HB2 LEU A 80 -1.912 10.882 3.830 1.00 51.24 H new ATOM 0 HB3 LEU A 80 -0.212 10.486 3.982 1.00 51.24 H new ATOM 0 HG LEU A 80 -0.659 12.840 4.487 1.00 51.23 H new ATOM 0 HD11 LEU A 80 1.050 13.835 3.019 1.00 71.30 H new ATOM 0 HD12 LEU A 80 1.527 12.217 3.585 1.00 71.30 H new ATOM 0 HD13 LEU A 80 0.920 12.436 1.927 1.00 71.30 H new ATOM 0 HD21 LEU A 80 -1.331 14.393 2.693 1.00 25.12 H new ATOM 0 HD22 LEU A 80 -1.554 13.015 1.590 1.00 25.12 H new ATOM 0 HD23 LEU A 80 -2.593 13.183 3.025 1.00 25.12 H new ATOM 625 N THR A 81 1.124 9.221 2.364 1.00 32.52 N ATOM 626 CA THR A 81 2.485 8.788 2.075 1.00 5.32 C ATOM 627 C THR A 81 2.512 7.337 1.608 1.00 44.33 C ATOM 628 O THR A 81 3.283 6.975 0.721 1.00 55.24 O ATOM 629 CB THR A 81 3.396 8.936 3.309 1.00 55.54 C ATOM 630 OG1 THR A 81 4.716 8.473 3.000 1.00 63.14 O ATOM 631 CG2 THR A 81 2.841 8.151 4.488 1.00 62.53 C ATOM 0 H THR A 81 0.736 8.842 3.228 1.00 32.52 H new ATOM 0 HA THR A 81 2.859 9.431 1.278 1.00 5.32 H new ATOM 0 HB THR A 81 3.435 9.991 3.581 1.00 55.54 H new ATOM 0 HG1 THR A 81 5.290 8.571 3.788 1.00 63.14 H new ATOM 0 HG21 THR A 81 3.501 8.270 5.347 1.00 62.53 H new ATOM 0 HG22 THR A 81 1.848 8.524 4.738 1.00 62.53 H new ATOM 0 HG23 THR A 81 2.776 7.095 4.224 1.00 62.53 H new ATOM 639 N GLY A 82 1.664 6.510 2.211 1.00 13.44 N ATOM 640 CA GLY A 82 1.607 5.107 1.843 1.00 2.21 C ATOM 641 C GLY A 82 1.986 4.191 2.989 1.00 22.20 C ATOM 642 O GLY A 82 2.865 3.341 2.849 1.00 45.44 O ATOM 0 H GLY A 82 1.015 6.786 2.948 1.00 13.44 H new ATOM 0 HA2 GLY A 82 0.599 4.864 1.506 1.00 2.21 H new ATOM 0 HA3 GLY A 82 2.277 4.928 1.002 1.00 2.21 H new ATOM 646 N ALA A 83 1.322 4.365 4.128 1.00 15.23 N ATOM 647 CA ALA A 83 1.595 3.546 5.303 1.00 41.55 C ATOM 648 C ALA A 83 0.945 2.172 5.177 1.00 45.02 C ATOM 649 O ALA A 83 -0.088 2.022 4.525 1.00 64.24 O ATOM 650 CB ALA A 83 1.107 4.250 6.561 1.00 54.31 C ATOM 0 H ALA A 83 0.592 5.065 4.261 1.00 15.23 H new ATOM 0 HA ALA A 83 2.673 3.404 5.374 1.00 41.55 H new ATOM 0 HB1 ALA A 83 1.317 3.628 7.431 1.00 54.31 H new ATOM 0 HB2 ALA A 83 1.621 5.206 6.666 1.00 54.31 H new ATOM 0 HB3 ALA A 83 0.033 4.422 6.488 1.00 54.31 H new ATOM 656 N GLN A 84 1.557 1.173 5.806 1.00 45.03 N ATOM 657 CA GLN A 84 1.037 -0.188 5.762 1.00 11.14 C ATOM 658 C GLN A 84 1.234 -0.889 7.102 1.00 53.33 C ATOM 659 O GLN A 84 2.364 -1.125 7.530 1.00 74.54 O ATOM 660 CB GLN A 84 1.725 -0.983 4.651 1.00 51.53 C ATOM 661 CG GLN A 84 3.242 -0.897 4.691 1.00 10.52 C ATOM 662 CD GLN A 84 3.769 0.392 4.094 1.00 22.52 C ATOM 663 OE1 GLN A 84 3.719 0.595 2.880 1.00 22.13 O ATOM 664 NE2 GLN A 84 4.279 1.274 4.946 1.00 44.22 N ATOM 0 H GLN A 84 2.412 1.281 6.351 1.00 45.03 H new ATOM 0 HA GLN A 84 -0.032 -0.136 5.554 1.00 11.14 H new ATOM 0 HB2 GLN A 84 1.427 -2.029 4.726 1.00 51.53 H new ATOM 0 HB3 GLN A 84 1.374 -0.620 3.685 1.00 51.53 H new ATOM 0 HG2 GLN A 84 3.580 -0.979 5.724 1.00 10.52 H new ATOM 0 HG3 GLN A 84 3.665 -1.743 4.149 1.00 10.52 H new ATOM 0 HE21 GLN A 84 4.301 1.065 5.944 1.00 44.22 H new ATOM 0 HE22 GLN A 84 4.649 2.160 4.602 1.00 44.22 H new ATOM 671 N ILE A 85 0.128 -1.219 7.759 1.00 24.54 N ATOM 672 CA ILE A 85 0.180 -1.893 9.051 1.00 1.10 C ATOM 673 C ILE A 85 -1.051 -2.767 9.265 1.00 42.30 C ATOM 674 O ILE A 85 -2.136 -2.458 8.774 1.00 64.02 O ATOM 675 CB ILE A 85 0.286 -0.884 10.209 1.00 33.21 C ATOM 676 CG1 ILE A 85 1.536 -0.016 10.044 1.00 24.52 C ATOM 677 CG2 ILE A 85 0.314 -1.612 11.545 1.00 71.11 C ATOM 678 CD1 ILE A 85 1.712 1.005 11.147 1.00 21.13 C ATOM 0 H ILE A 85 -0.815 -1.031 7.419 1.00 24.54 H new ATOM 0 HA ILE A 85 1.072 -2.520 9.044 1.00 1.10 H new ATOM 0 HB ILE A 85 -0.590 -0.236 10.188 1.00 33.21 H new ATOM 0 HG12 ILE A 85 2.415 -0.660 10.013 1.00 24.52 H new ATOM 0 HG13 ILE A 85 1.486 0.501 9.086 1.00 24.52 H new ATOM 0 HG21 ILE A 85 0.389 -0.885 12.354 1.00 71.11 H new ATOM 0 HG22 ILE A 85 -0.601 -2.192 11.662 1.00 71.11 H new ATOM 0 HG23 ILE A 85 1.174 -2.281 11.577 1.00 71.11 H new ATOM 0 HD11 ILE A 85 2.617 1.584 10.966 1.00 21.13 H new ATOM 0 HD12 ILE A 85 0.851 1.673 11.165 1.00 21.13 H new ATOM 0 HD13 ILE A 85 1.794 0.494 12.106 1.00 21.13 H new ATOM 689 N GLU A 86 -0.875 -3.859 10.002 1.00 0.02 N ATOM 690 CA GLU A 86 -1.973 -4.777 10.282 1.00 2.12 C ATOM 691 C GLU A 86 -2.339 -4.751 11.763 1.00 45.44 C ATOM 692 O GLU A 86 -1.627 -5.304 12.599 1.00 35.22 O ATOM 693 CB GLU A 86 -1.597 -6.200 9.863 1.00 22.42 C ATOM 694 CG GLU A 86 -0.200 -6.613 10.296 1.00 4.24 C ATOM 695 CD GLU A 86 0.856 -6.267 9.265 1.00 21.42 C ATOM 696 OE1 GLU A 86 0.498 -5.680 8.223 1.00 12.31 O ATOM 697 OE2 GLU A 86 2.042 -6.583 9.501 1.00 43.24 O ATOM 0 H GLU A 86 0.017 -4.130 10.416 1.00 0.02 H new ATOM 0 HA GLU A 86 -2.840 -4.453 9.705 1.00 2.12 H new ATOM 0 HB2 GLU A 86 -2.320 -6.897 10.286 1.00 22.42 H new ATOM 0 HB3 GLU A 86 -1.671 -6.282 8.779 1.00 22.42 H new ATOM 0 HG2 GLU A 86 0.044 -6.123 11.239 1.00 4.24 H new ATOM 0 HG3 GLU A 86 -0.184 -7.687 10.481 1.00 4.24 H new ATOM 702 N GLU A 87 -3.458 -4.104 12.079 1.00 53.13 N ATOM 703 CA GLU A 87 -3.918 -4.005 13.459 1.00 53.30 C ATOM 704 C GLU A 87 -5.180 -4.835 13.671 1.00 4.43 C ATOM 705 O GLU A 87 -5.791 -5.312 12.716 1.00 1.01 O ATOM 706 CB GLU A 87 -4.187 -2.544 13.826 1.00 5.23 C ATOM 707 CG GLU A 87 -2.924 -1.717 13.996 1.00 44.45 C ATOM 708 CD GLU A 87 -2.587 -1.458 15.451 1.00 10.22 C ATOM 709 OE1 GLU A 87 -1.389 -1.510 15.801 1.00 1.15 O ATOM 710 OE2 GLU A 87 -3.521 -1.203 16.240 1.00 51.25 O ATOM 0 H GLU A 87 -4.061 -3.642 11.399 1.00 53.13 H new ATOM 0 HA GLU A 87 -3.133 -4.396 14.107 1.00 53.30 H new ATOM 0 HB2 GLU A 87 -4.806 -2.092 13.051 1.00 5.23 H new ATOM 0 HB3 GLU A 87 -4.761 -2.510 14.752 1.00 5.23 H new ATOM 0 HG2 GLU A 87 -2.090 -2.233 13.520 1.00 44.45 H new ATOM 0 HG3 GLU A 87 -3.046 -0.765 13.480 1.00 44.45 H new ATOM 715 N ASN A 88 -5.565 -5.004 14.933 1.00 52.41 N ATOM 716 CA ASN A 88 -6.754 -5.778 15.272 1.00 73.11 C ATOM 717 C ASN A 88 -7.933 -4.858 15.575 1.00 54.52 C ATOM 718 O ASN A 88 -7.848 -3.643 15.395 1.00 0.53 O ATOM 719 CB ASN A 88 -6.474 -6.680 16.476 1.00 24.14 C ATOM 720 CG ASN A 88 -5.065 -7.239 16.465 1.00 55.33 C ATOM 721 OD1 ASN A 88 -4.665 -7.926 15.523 1.00 31.12 O ATOM 722 ND2 ASN A 88 -4.304 -6.949 17.513 1.00 22.53 N ATOM 0 H ASN A 88 -5.071 -4.616 15.737 1.00 52.41 H new ATOM 0 HA ASN A 88 -7.011 -6.398 14.413 1.00 73.11 H new ATOM 0 HB2 ASN A 88 -6.630 -6.114 17.394 1.00 24.14 H new ATOM 0 HB3 ASN A 88 -7.188 -7.503 16.484 1.00 24.14 H new ATOM 0 HD21 ASN A 88 -3.347 -7.299 17.561 1.00 22.53 H new ATOM 0 HD22 ASN A 88 -4.676 -6.377 18.271 1.00 22.53 H new ATOM 728 N VAL A 89 -9.033 -5.447 16.035 1.00 72.43 N ATOM 729 CA VAL A 89 -10.229 -4.681 16.363 1.00 14.24 C ATOM 730 C VAL A 89 -9.899 -3.520 17.294 1.00 1.01 C ATOM 731 O VAL A 89 -10.425 -2.417 17.138 1.00 71.25 O ATOM 732 CB VAL A 89 -11.299 -5.569 17.027 1.00 32.35 C ATOM 733 CG1 VAL A 89 -12.523 -4.746 17.395 1.00 23.23 C ATOM 734 CG2 VAL A 89 -11.677 -6.722 16.111 1.00 52.22 C ATOM 0 H VAL A 89 -9.120 -6.452 16.189 1.00 72.43 H new ATOM 0 HA VAL A 89 -10.623 -4.290 15.425 1.00 14.24 H new ATOM 0 HB VAL A 89 -10.882 -5.985 17.944 1.00 32.35 H new ATOM 0 HG11 VAL A 89 -13.268 -5.390 17.863 1.00 23.23 H new ATOM 0 HG12 VAL A 89 -12.236 -3.958 18.092 1.00 23.23 H new ATOM 0 HG13 VAL A 89 -12.945 -4.298 16.495 1.00 23.23 H new ATOM 0 HG21 VAL A 89 -12.434 -7.339 16.596 1.00 52.22 H new ATOM 0 HG22 VAL A 89 -12.075 -6.328 15.176 1.00 52.22 H new ATOM 0 HG23 VAL A 89 -10.794 -7.327 15.904 1.00 52.22 H new ATOM 744 N TYR A 90 -9.026 -3.774 18.262 1.00 61.22 N ATOM 745 CA TYR A 90 -8.627 -2.750 19.219 1.00 24.22 C ATOM 746 C TYR A 90 -8.174 -1.481 18.504 1.00 62.34 C ATOM 747 O TYR A 90 -8.561 -0.373 18.874 1.00 10.11 O ATOM 748 CB TYR A 90 -7.504 -3.270 20.118 1.00 54.44 C ATOM 749 CG TYR A 90 -7.851 -4.554 20.838 1.00 35.11 C ATOM 750 CD1 TYR A 90 -9.095 -4.725 21.433 1.00 10.11 C ATOM 751 CD2 TYR A 90 -6.935 -5.595 20.923 1.00 52.10 C ATOM 752 CE1 TYR A 90 -9.416 -5.896 22.093 1.00 52.11 C ATOM 753 CE2 TYR A 90 -7.248 -6.770 21.580 1.00 62.14 C ATOM 754 CZ TYR A 90 -8.489 -6.915 22.163 1.00 43.41 C ATOM 755 OH TYR A 90 -8.805 -8.084 22.819 1.00 72.43 O ATOM 0 H TYR A 90 -8.581 -4.681 18.405 1.00 61.22 H new ATOM 0 HA TYR A 90 -9.494 -2.509 19.834 1.00 24.22 H new ATOM 0 HB2 TYR A 90 -6.611 -3.432 19.514 1.00 54.44 H new ATOM 0 HB3 TYR A 90 -7.256 -2.506 20.855 1.00 54.44 H new ATOM 0 HD1 TYR A 90 -9.823 -3.929 21.379 1.00 10.11 H new ATOM 0 HD2 TYR A 90 -5.962 -5.484 20.468 1.00 52.10 H new ATOM 0 HE1 TYR A 90 -10.387 -6.013 22.551 1.00 52.11 H new ATOM 0 HE2 TYR A 90 -6.525 -7.570 21.636 1.00 62.14 H new ATOM 0 HH TYR A 90 -8.044 -8.699 22.776 1.00 72.43 H new ATOM 764 N ALA A 91 -7.350 -1.653 17.475 1.00 72.22 N ATOM 765 CA ALA A 91 -6.844 -0.523 16.704 1.00 21.14 C ATOM 766 C ALA A 91 -6.244 0.540 17.617 1.00 4.22 C ATOM 767 O ALA A 91 -6.443 1.737 17.407 1.00 41.34 O ATOM 768 CB ALA A 91 -7.956 0.074 15.854 1.00 62.33 C ATOM 0 H ALA A 91 -7.019 -2.563 17.156 1.00 72.22 H new ATOM 0 HA ALA A 91 -6.054 -0.887 16.047 1.00 21.14 H new ATOM 0 HB1 ALA A 91 -7.565 0.917 15.283 1.00 62.33 H new ATOM 0 HB2 ALA A 91 -8.336 -0.683 15.169 1.00 62.33 H new ATOM 0 HB3 ALA A 91 -8.764 0.417 16.500 1.00 62.33 H new ATOM 774 N ASP A 92 -5.510 0.097 18.631 1.00 14.23 N ATOM 775 CA ASP A 92 -4.879 1.011 19.576 1.00 3.44 C ATOM 776 C ASP A 92 -3.894 1.933 18.867 1.00 52.33 C ATOM 777 O ASP A 92 -2.858 1.488 18.372 1.00 14.22 O ATOM 778 CB ASP A 92 -4.161 0.226 20.676 1.00 45.22 C ATOM 779 CG ASP A 92 -5.099 -0.201 21.789 1.00 70.42 C ATOM 780 OD1 ASP A 92 -6.222 0.341 21.859 1.00 15.35 O ATOM 781 OD2 ASP A 92 -4.709 -1.077 22.589 1.00 74.24 O ATOM 0 H ASP A 92 -5.337 -0.890 18.820 1.00 14.23 H new ATOM 0 HA ASP A 92 -5.660 1.623 20.027 1.00 3.44 H new ATOM 0 HB2 ASP A 92 -3.692 -0.657 20.241 1.00 45.22 H new ATOM 0 HB3 ASP A 92 -3.362 0.839 21.093 1.00 45.22 H new ATOM 785 N ILE A 93 -4.224 3.219 18.818 1.00 3.45 N ATOM 786 CA ILE A 93 -3.368 4.204 18.168 1.00 2.24 C ATOM 787 C ILE A 93 -1.947 4.146 18.718 1.00 2.44 C ATOM 788 O ILE A 93 -0.979 4.366 17.991 1.00 2.41 O ATOM 789 CB ILE A 93 -3.917 5.632 18.346 1.00 41.22 C ATOM 790 CG1 ILE A 93 -5.327 5.735 17.759 1.00 23.10 C ATOM 791 CG2 ILE A 93 -2.989 6.642 17.688 1.00 51.01 C ATOM 792 CD1 ILE A 93 -5.398 5.386 16.290 1.00 41.44 C ATOM 0 H ILE A 93 -5.079 3.604 19.221 1.00 3.45 H new ATOM 0 HA ILE A 93 -3.355 3.958 17.106 1.00 2.24 H new ATOM 0 HB ILE A 93 -3.969 5.856 19.411 1.00 41.22 H new ATOM 0 HG12 ILE A 93 -5.992 5.073 18.314 1.00 23.10 H new ATOM 0 HG13 ILE A 93 -5.697 6.750 17.901 1.00 23.10 H new ATOM 0 HG21 ILE A 93 -3.390 7.646 17.822 1.00 51.01 H new ATOM 0 HG22 ILE A 93 -2.002 6.582 18.146 1.00 51.01 H new ATOM 0 HG23 ILE A 93 -2.909 6.423 16.623 1.00 51.01 H new ATOM 0 HD11 ILE A 93 -6.427 5.481 15.943 1.00 41.44 H new ATOM 0 HD12 ILE A 93 -4.760 6.064 15.724 1.00 41.44 H new ATOM 0 HD13 ILE A 93 -5.059 4.361 16.143 1.00 41.44 H new ATOM 803 N ARG A 94 -1.830 3.846 20.008 1.00 1.34 N ATOM 804 CA ARG A 94 -0.527 3.757 20.656 1.00 23.43 C ATOM 805 C ARG A 94 0.408 2.839 19.876 1.00 41.23 C ATOM 806 O ARG A 94 1.533 3.217 19.546 1.00 10.34 O ATOM 807 CB ARG A 94 -0.681 3.246 22.091 1.00 52.24 C ATOM 808 CG ARG A 94 0.622 3.224 22.871 1.00 32.24 C ATOM 809 CD ARG A 94 1.033 4.621 23.310 1.00 23.23 C ATOM 810 NE ARG A 94 0.317 5.051 24.509 1.00 50.40 N ATOM 811 CZ ARG A 94 0.257 6.314 24.914 1.00 25.42 C ATOM 812 NH1 ARG A 94 0.866 7.267 24.222 1.00 30.00 N ATOM 813 NH2 ARG A 94 -0.414 6.627 26.016 1.00 3.10 N ATOM 0 H ARG A 94 -2.621 3.661 20.624 1.00 1.34 H new ATOM 0 HA ARG A 94 -0.092 4.756 20.677 1.00 23.43 H new ATOM 0 HB2 ARG A 94 -1.399 3.875 22.617 1.00 52.24 H new ATOM 0 HB3 ARG A 94 -1.097 2.239 22.067 1.00 52.24 H new ATOM 0 HG2 ARG A 94 0.512 2.584 23.746 1.00 32.24 H new ATOM 0 HG3 ARG A 94 1.409 2.789 22.255 1.00 32.24 H new ATOM 0 HD2 ARG A 94 2.106 4.640 23.502 1.00 23.23 H new ATOM 0 HD3 ARG A 94 0.842 5.326 22.501 1.00 23.23 H new ATOM 0 HE ARG A 94 -0.163 4.343 25.065 1.00 50.40 H new ATOM 0 HH11 ARG A 94 1.383 7.031 23.375 1.00 30.00 H new ATOM 0 HH12 ARG A 94 0.817 8.236 24.537 1.00 30.00 H new ATOM 0 HH21 ARG A 94 -0.884 5.897 26.552 1.00 3.10 H new ATOM 0 HH22 ARG A 94 -0.460 7.597 26.327 1.00 3.10 H new ATOM 824 N ASP A 95 -0.065 1.633 19.583 1.00 52.15 N ATOM 825 CA ASP A 95 0.729 0.661 18.839 1.00 3.31 C ATOM 826 C ASP A 95 1.122 1.212 17.472 1.00 15.12 C ATOM 827 O ASP A 95 2.307 1.300 17.146 1.00 44.33 O ATOM 828 CB ASP A 95 -0.052 -0.644 18.672 1.00 75.23 C ATOM 829 CG ASP A 95 0.162 -1.599 19.830 1.00 1.41 C ATOM 830 OD1 ASP A 95 0.136 -1.138 20.990 1.00 11.04 O ATOM 831 OD2 ASP A 95 0.354 -2.808 19.576 1.00 64.44 O ATOM 0 H ASP A 95 -0.993 1.305 19.849 1.00 52.15 H new ATOM 0 HA ASP A 95 1.639 0.462 19.405 1.00 3.31 H new ATOM 0 HB2 ASP A 95 -1.115 -0.419 18.582 1.00 75.23 H new ATOM 0 HB3 ASP A 95 0.251 -1.129 17.744 1.00 75.23 H new ATOM 835 N ILE A 96 0.122 1.579 16.678 1.00 14.32 N ATOM 836 CA ILE A 96 0.365 2.121 15.347 1.00 51.33 C ATOM 837 C ILE A 96 1.348 3.286 15.398 1.00 2.01 C ATOM 838 O ILE A 96 2.145 3.478 14.481 1.00 13.02 O ATOM 839 CB ILE A 96 -0.942 2.595 14.686 1.00 42.35 C ATOM 840 CG1 ILE A 96 -1.911 1.423 14.522 1.00 10.22 C ATOM 841 CG2 ILE A 96 -0.651 3.240 13.338 1.00 33.34 C ATOM 842 CD1 ILE A 96 -3.213 1.803 13.851 1.00 73.55 C ATOM 0 H ILE A 96 -0.863 1.511 16.933 1.00 14.32 H new ATOM 0 HA ILE A 96 0.793 1.315 14.751 1.00 51.33 H new ATOM 0 HB ILE A 96 -1.408 3.340 15.331 1.00 42.35 H new ATOM 0 HG12 ILE A 96 -1.426 0.640 13.938 1.00 10.22 H new ATOM 0 HG13 ILE A 96 -2.127 1.001 15.504 1.00 10.22 H new ATOM 0 HG21 ILE A 96 -1.585 3.570 12.883 1.00 33.34 H new ATOM 0 HG22 ILE A 96 0.007 4.098 13.479 1.00 33.34 H new ATOM 0 HG23 ILE A 96 -0.166 2.515 12.685 1.00 33.34 H new ATOM 0 HD11 ILE A 96 -3.850 0.923 13.768 1.00 73.55 H new ATOM 0 HD12 ILE A 96 -3.720 2.563 14.445 1.00 73.55 H new ATOM 0 HD13 ILE A 96 -3.008 2.197 12.856 1.00 73.55 H new ATOM 853 N GLN A 97 1.285 4.059 16.477 1.00 43.00 N ATOM 854 CA GLN A 97 2.170 5.205 16.649 1.00 15.13 C ATOM 855 C GLN A 97 3.629 4.792 16.494 1.00 75.41 C ATOM 856 O GLN A 97 4.418 5.493 15.860 1.00 72.01 O ATOM 857 CB GLN A 97 1.951 5.845 18.021 1.00 12.21 C ATOM 858 CG GLN A 97 2.531 7.245 18.139 1.00 54.12 C ATOM 859 CD GLN A 97 4.046 7.247 18.186 1.00 50.01 C ATOM 860 OE1 GLN A 97 4.659 6.425 18.868 1.00 23.21 O ATOM 861 NE2 GLN A 97 4.660 8.173 17.458 1.00 53.10 N ATOM 0 H GLN A 97 0.630 3.913 17.245 1.00 43.00 H new ATOM 0 HA GLN A 97 1.933 5.935 15.875 1.00 15.13 H new ATOM 0 HB2 GLN A 97 0.881 5.885 18.227 1.00 12.21 H new ATOM 0 HB3 GLN A 97 2.399 5.210 18.785 1.00 12.21 H new ATOM 0 HG2 GLN A 97 2.197 7.845 17.293 1.00 54.12 H new ATOM 0 HG3 GLN A 97 2.143 7.720 19.040 1.00 54.12 H new ATOM 0 HE21 GLN A 97 4.113 8.835 16.907 1.00 53.10 H new ATOM 0 HE22 GLN A 97 5.679 8.222 17.450 1.00 53.10 H new ATOM 868 N GLU A 98 3.983 3.652 17.079 1.00 30.11 N ATOM 869 CA GLU A 98 5.349 3.148 17.006 1.00 54.10 C ATOM 870 C GLU A 98 5.809 3.030 15.555 1.00 12.23 C ATOM 871 O GLU A 98 6.775 3.673 15.146 1.00 74.54 O ATOM 872 CB GLU A 98 5.452 1.787 17.697 1.00 33.15 C ATOM 873 CG GLU A 98 6.854 1.451 18.174 1.00 34.23 C ATOM 874 CD GLU A 98 7.333 2.375 19.277 1.00 64.33 C ATOM 875 OE1 GLU A 98 6.811 2.271 20.407 1.00 31.20 O ATOM 876 OE2 GLU A 98 8.228 3.205 19.009 1.00 34.24 O ATOM 0 H GLU A 98 3.343 3.060 17.609 1.00 30.11 H new ATOM 0 HA GLU A 98 5.998 3.858 17.519 1.00 54.10 H new ATOM 0 HB2 GLU A 98 4.773 1.770 18.550 1.00 33.15 H new ATOM 0 HB3 GLU A 98 5.117 1.013 17.007 1.00 33.15 H new ATOM 0 HG2 GLU A 98 6.875 0.422 18.533 1.00 34.23 H new ATOM 0 HG3 GLU A 98 7.544 1.509 17.332 1.00 34.23 H new ATOM 881 N ARG A 99 5.110 2.202 14.785 1.00 61.51 N ATOM 882 CA ARG A 99 5.448 1.998 13.381 1.00 24.24 C ATOM 883 C ARG A 99 5.407 3.317 12.615 1.00 70.34 C ATOM 884 O ARG A 99 6.194 3.537 11.694 1.00 10.40 O ATOM 885 CB ARG A 99 4.483 0.996 12.744 1.00 60.04 C ATOM 886 CG ARG A 99 4.950 -0.446 12.844 1.00 43.40 C ATOM 887 CD ARG A 99 5.075 -0.892 14.293 1.00 11.40 C ATOM 888 NE ARG A 99 6.382 -0.562 14.856 1.00 10.04 N ATOM 889 CZ ARG A 99 7.512 -1.157 14.488 1.00 22.34 C ATOM 890 NH1 ARG A 99 7.494 -2.106 13.564 1.00 72.14 N ATOM 891 NH2 ARG A 99 8.662 -0.801 15.047 1.00 64.11 N ATOM 0 H ARG A 99 4.307 1.662 15.109 1.00 61.51 H new ATOM 0 HA ARG A 99 6.461 1.600 13.330 1.00 24.24 H new ATOM 0 HB2 ARG A 99 3.508 1.088 13.224 1.00 60.04 H new ATOM 0 HB3 ARG A 99 4.347 1.253 11.694 1.00 60.04 H new ATOM 0 HG2 ARG A 99 4.246 -1.094 12.322 1.00 43.40 H new ATOM 0 HG3 ARG A 99 5.913 -0.553 12.345 1.00 43.40 H new ATOM 0 HD2 ARG A 99 4.294 -0.417 14.887 1.00 11.40 H new ATOM 0 HD3 ARG A 99 4.914 -1.968 14.356 1.00 11.40 H new ATOM 0 HE ARG A 99 6.430 0.165 15.570 1.00 10.04 H new ATOM 0 HH11 ARG A 99 6.612 -2.382 13.133 1.00 72.14 H new ATOM 0 HH12 ARG A 99 8.363 -2.561 13.283 1.00 72.14 H new ATOM 0 HH21 ARG A 99 8.678 -0.071 15.759 1.00 64.11 H new ATOM 0 HH22 ARG A 99 9.529 -1.258 14.765 1.00 64.11 H new ATOM 902 N PHE A 100 4.485 4.193 13.002 1.00 51.11 N ATOM 903 CA PHE A 100 4.341 5.490 12.350 1.00 32.03 C ATOM 904 C PHE A 100 5.683 6.211 12.271 1.00 12.14 C ATOM 905 O PHE A 100 5.944 6.958 11.329 1.00 24.50 O ATOM 906 CB PHE A 100 3.329 6.353 13.106 1.00 32.52 C ATOM 907 CG PHE A 100 2.854 7.543 12.323 1.00 64.15 C ATOM 908 CD1 PHE A 100 1.949 7.390 11.284 1.00 13.40 C ATOM 909 CD2 PHE A 100 3.311 8.816 12.624 1.00 61.20 C ATOM 910 CE1 PHE A 100 1.510 8.482 10.561 1.00 71.34 C ATOM 911 CE2 PHE A 100 2.876 9.913 11.904 1.00 4.00 C ATOM 912 CZ PHE A 100 1.973 9.746 10.872 1.00 73.40 C ATOM 0 H PHE A 100 3.827 4.028 13.764 1.00 51.11 H new ATOM 0 HA PHE A 100 3.979 5.322 11.336 1.00 32.03 H new ATOM 0 HB2 PHE A 100 2.470 5.739 13.376 1.00 32.52 H new ATOM 0 HB3 PHE A 100 3.780 6.697 14.037 1.00 32.52 H new ATOM 0 HD1 PHE A 100 1.583 6.405 11.037 1.00 13.40 H new ATOM 0 HD2 PHE A 100 4.016 8.953 13.431 1.00 61.20 H new ATOM 0 HE1 PHE A 100 0.806 8.348 9.753 1.00 71.34 H new ATOM 0 HE2 PHE A 100 3.242 10.899 12.148 1.00 4.00 H new ATOM 0 HZ PHE A 100 1.630 10.602 10.310 1.00 73.40 H new ATOM 921 N SER A 101 6.532 5.979 13.268 1.00 43.13 N ATOM 922 CA SER A 101 7.846 6.610 13.314 1.00 30.02 C ATOM 923 C SER A 101 8.607 6.377 12.011 1.00 25.04 C ATOM 924 O SER A 101 9.351 7.243 11.552 1.00 30.44 O ATOM 925 CB SER A 101 8.655 6.066 14.494 1.00 54.34 C ATOM 926 OG SER A 101 9.949 6.642 14.533 1.00 51.22 O ATOM 0 H SER A 101 6.333 5.359 14.054 1.00 43.13 H new ATOM 0 HA SER A 101 7.702 7.683 13.444 1.00 30.02 H new ATOM 0 HB2 SER A 101 8.131 6.277 15.426 1.00 54.34 H new ATOM 0 HB3 SER A 101 8.738 4.982 14.413 1.00 54.34 H new ATOM 0 HG SER A 101 10.445 6.280 15.296 1.00 51.22 H new ATOM 931 N GLU A 102 8.412 5.202 11.422 1.00 12.33 N ATOM 932 CA GLU A 102 9.080 4.855 10.173 1.00 50.23 C ATOM 933 C GLU A 102 8.580 5.729 9.027 1.00 70.12 C ATOM 934 O GLU A 102 9.349 6.469 8.414 1.00 75.01 O ATOM 935 CB GLU A 102 8.851 3.379 9.840 1.00 40.42 C ATOM 936 CG GLU A 102 9.882 2.449 10.457 1.00 21.25 C ATOM 937 CD GLU A 102 9.337 1.681 11.647 1.00 51.35 C ATOM 938 OE1 GLU A 102 9.305 2.253 12.756 1.00 1.05 O ATOM 939 OE2 GLU A 102 8.944 0.510 11.467 1.00 11.33 O ATOM 0 H GLU A 102 7.798 4.475 11.789 1.00 12.33 H new ATOM 0 HA GLU A 102 10.148 5.030 10.301 1.00 50.23 H new ATOM 0 HB2 GLU A 102 7.859 3.087 10.184 1.00 40.42 H new ATOM 0 HB3 GLU A 102 8.863 3.253 8.757 1.00 40.42 H new ATOM 0 HG2 GLU A 102 10.228 1.744 9.701 1.00 21.25 H new ATOM 0 HG3 GLU A 102 10.749 3.031 10.771 1.00 21.25 H new ATOM 944 N VAL A 103 7.284 5.639 8.744 1.00 72.13 N ATOM 945 CA VAL A 103 6.680 6.422 7.672 1.00 13.22 C ATOM 946 C VAL A 103 6.902 7.914 7.889 1.00 30.22 C ATOM 947 O VAL A 103 7.086 8.670 6.935 1.00 63.31 O ATOM 948 CB VAL A 103 5.167 6.150 7.563 1.00 75.54 C ATOM 949 CG1 VAL A 103 4.914 4.730 7.079 1.00 61.51 C ATOM 950 CG2 VAL A 103 4.484 6.397 8.900 1.00 64.05 C ATOM 0 H VAL A 103 6.633 5.032 9.242 1.00 72.13 H new ATOM 0 HA VAL A 103 7.165 6.117 6.745 1.00 13.22 H new ATOM 0 HB VAL A 103 4.743 6.838 6.832 1.00 75.54 H new ATOM 0 HG11 VAL A 103 3.840 4.556 7.008 1.00 61.51 H new ATOM 0 HG12 VAL A 103 5.369 4.593 6.098 1.00 61.51 H new ATOM 0 HG13 VAL A 103 5.351 4.022 7.784 1.00 61.51 H new ATOM 0 HG21 VAL A 103 3.416 6.200 8.805 1.00 64.05 H new ATOM 0 HG22 VAL A 103 4.909 5.734 9.654 1.00 64.05 H new ATOM 0 HG23 VAL A 103 4.637 7.434 9.200 1.00 64.05 H new ATOM 960 N ARG A 104 6.885 8.332 9.151 1.00 21.14 N ATOM 961 CA ARG A 104 7.085 9.735 9.494 1.00 45.50 C ATOM 962 C ARG A 104 8.527 10.158 9.239 1.00 15.10 C ATOM 963 O ARG A 104 8.791 11.055 8.438 1.00 21.54 O ATOM 964 CB ARG A 104 6.721 9.980 10.960 1.00 64.52 C ATOM 965 CG ARG A 104 7.104 11.364 11.459 1.00 31.24 C ATOM 966 CD ARG A 104 6.336 12.452 10.726 1.00 71.34 C ATOM 967 NE ARG A 104 6.918 13.775 10.944 1.00 4.22 N ATOM 968 CZ ARG A 104 6.251 14.909 10.765 1.00 40.14 C ATOM 969 NH1 ARG A 104 4.987 14.884 10.366 1.00 42.45 N ATOM 970 NH2 ARG A 104 6.849 16.073 10.985 1.00 22.34 N ATOM 0 H ARG A 104 6.735 7.719 9.952 1.00 21.14 H new ATOM 0 HA ARG A 104 6.432 10.334 8.859 1.00 45.50 H new ATOM 0 HB2 ARG A 104 5.647 9.841 11.087 1.00 64.52 H new ATOM 0 HB3 ARG A 104 7.215 9.230 11.578 1.00 64.52 H new ATOM 0 HG2 ARG A 104 6.905 11.434 12.528 1.00 31.24 H new ATOM 0 HG3 ARG A 104 8.174 11.518 11.323 1.00 31.24 H new ATOM 0 HD2 ARG A 104 6.326 12.232 9.658 1.00 71.34 H new ATOM 0 HD3 ARG A 104 5.299 12.452 11.061 1.00 71.34 H new ATOM 0 HE ARG A 104 7.889 13.830 11.250 1.00 4.22 H new ATOM 0 HH11 ARG A 104 4.524 13.991 10.195 1.00 42.45 H new ATOM 0 HH12 ARG A 104 4.478 15.757 10.230 1.00 42.45 H new ATOM 0 HH21 ARG A 104 7.821 16.097 11.292 1.00 22.34 H new ATOM 0 HH22 ARG A 104 6.336 16.944 10.847 1.00 22.34 H new ATOM 981 N LYS A 105 9.460 9.504 9.925 1.00 61.53 N ATOM 982 CA LYS A 105 10.877 9.811 9.774 1.00 1.32 C ATOM 983 C LYS A 105 11.282 9.801 8.303 1.00 11.31 C ATOM 984 O LYS A 105 12.148 10.567 7.881 1.00 55.11 O ATOM 985 CB LYS A 105 11.724 8.803 10.554 1.00 42.04 C ATOM 986 CG LYS A 105 13.219 9.049 10.444 1.00 64.24 C ATOM 987 CD LYS A 105 14.019 7.860 10.946 1.00 31.04 C ATOM 988 CE LYS A 105 14.054 6.739 9.919 1.00 55.14 C ATOM 989 NZ LYS A 105 15.196 5.811 10.149 1.00 4.34 N ATOM 0 H LYS A 105 9.259 8.758 10.591 1.00 61.53 H new ATOM 0 HA LYS A 105 11.052 10.810 10.174 1.00 1.32 H new ATOM 0 HB2 LYS A 105 11.436 8.835 11.605 1.00 42.04 H new ATOM 0 HB3 LYS A 105 11.502 7.799 10.193 1.00 42.04 H new ATOM 0 HG2 LYS A 105 13.480 9.251 9.405 1.00 64.24 H new ATOM 0 HG3 LYS A 105 13.486 9.936 11.018 1.00 64.24 H new ATOM 0 HD2 LYS A 105 15.036 8.176 11.176 1.00 31.04 H new ATOM 0 HD3 LYS A 105 13.582 7.491 11.874 1.00 31.04 H new ATOM 0 HE2 LYS A 105 13.119 6.181 9.959 1.00 55.14 H new ATOM 0 HE3 LYS A 105 14.128 7.165 8.919 1.00 55.14 H new ATOM 0 HZ1 LYS A 105 15.185 5.061 9.428 1.00 4.34 H new ATOM 0 HZ2 LYS A 105 16.090 6.338 10.086 1.00 4.34 H new ATOM 0 HZ3 LYS A 105 15.112 5.384 11.094 1.00 4.34 H new ATOM 999 N LYS A 106 10.649 8.928 7.526 1.00 22.13 N ATOM 1000 CA LYS A 106 10.940 8.819 6.102 1.00 34.01 C ATOM 1001 C LYS A 106 10.409 10.030 5.343 1.00 25.40 C ATOM 1002 O LYS A 106 11.166 10.742 4.682 1.00 10.34 O ATOM 1003 CB LYS A 106 10.327 7.538 5.531 1.00 3.44 C ATOM 1004 CG LYS A 106 11.227 6.321 5.663 1.00 62.43 C ATOM 1005 CD LYS A 106 12.118 6.154 4.443 1.00 33.45 C ATOM 1006 CE LYS A 106 11.319 5.724 3.223 1.00 14.13 C ATOM 1007 NZ LYS A 106 12.197 5.189 2.146 1.00 41.04 N ATOM 0 H LYS A 106 9.931 8.285 7.860 1.00 22.13 H new ATOM 0 HA LYS A 106 12.023 8.782 5.981 1.00 34.01 H new ATOM 0 HB2 LYS A 106 9.384 7.339 6.040 1.00 3.44 H new ATOM 0 HB3 LYS A 106 10.094 7.695 4.478 1.00 3.44 H new ATOM 0 HG2 LYS A 106 11.845 6.419 6.556 1.00 62.43 H new ATOM 0 HG3 LYS A 106 10.616 5.428 5.794 1.00 62.43 H new ATOM 0 HD2 LYS A 106 12.628 7.094 4.232 1.00 33.45 H new ATOM 0 HD3 LYS A 106 12.889 5.413 4.653 1.00 33.45 H new ATOM 0 HE2 LYS A 106 10.595 4.963 3.513 1.00 14.13 H new ATOM 0 HE3 LYS A 106 10.753 6.574 2.842 1.00 14.13 H new ATOM 0 HZ1 LYS A 106 11.615 4.907 1.332 1.00 41.04 H new ATOM 0 HZ2 LYS A 106 12.872 5.923 1.851 1.00 41.04 H new ATOM 0 HZ3 LYS A 106 12.718 4.363 2.502 1.00 41.04 H new ATOM 1017 N MET A 107 9.104 10.261 5.444 1.00 22.14 N ATOM 1018 CA MET A 107 8.474 11.390 4.770 1.00 2.04 C ATOM 1019 C MET A 107 9.213 12.689 5.075 1.00 3.31 C ATOM 1020 O MET A 107 9.327 13.566 4.219 1.00 43.11 O ATOM 1021 CB MET A 107 7.009 11.512 5.194 1.00 23.24 C ATOM 1022 CG MET A 107 6.076 11.892 4.057 1.00 45.43 C ATOM 1023 SD MET A 107 4.437 12.376 4.634 1.00 54.43 S ATOM 1024 CE MET A 107 4.108 11.090 5.837 1.00 60.21 C ATOM 0 H MET A 107 8.463 9.682 5.986 1.00 22.14 H new ATOM 0 HA MET A 107 8.521 11.210 3.696 1.00 2.04 H new ATOM 0 HB2 MET A 107 6.682 10.563 5.619 1.00 23.24 H new ATOM 0 HB3 MET A 107 6.929 12.259 5.984 1.00 23.24 H new ATOM 0 HG2 MET A 107 6.515 12.714 3.491 1.00 45.43 H new ATOM 0 HG3 MET A 107 5.982 11.049 3.373 1.00 45.43 H new ATOM 0 HE1 MET A 107 3.035 10.906 5.889 1.00 60.21 H new ATOM 0 HE2 MET A 107 4.619 10.174 5.540 1.00 60.21 H new ATOM 0 HE3 MET A 107 4.470 11.406 6.815 1.00 60.21 H new ATOM 1032 N VAL A 108 9.715 12.805 6.301 1.00 12.33 N ATOM 1033 CA VAL A 108 10.443 13.996 6.719 1.00 74.25 C ATOM 1034 C VAL A 108 11.880 13.969 6.207 1.00 45.20 C ATOM 1035 O VAL A 108 12.358 14.938 5.620 1.00 21.43 O ATOM 1036 CB VAL A 108 10.459 14.136 8.252 1.00 13.44 C ATOM 1037 CG1 VAL A 108 11.257 15.362 8.669 1.00 34.32 C ATOM 1038 CG2 VAL A 108 9.039 14.204 8.795 1.00 73.01 C ATOM 0 H VAL A 108 9.630 12.088 7.022 1.00 12.33 H new ATOM 0 HA VAL A 108 9.922 14.852 6.290 1.00 74.25 H new ATOM 0 HB VAL A 108 10.944 13.256 8.675 1.00 13.44 H new ATOM 0 HG11 VAL A 108 11.257 15.444 9.756 1.00 34.32 H new ATOM 0 HG12 VAL A 108 12.283 15.267 8.313 1.00 34.32 H new ATOM 0 HG13 VAL A 108 10.804 16.255 8.238 1.00 34.32 H new ATOM 0 HG21 VAL A 108 9.069 14.303 9.880 1.00 73.01 H new ATOM 0 HG22 VAL A 108 8.526 15.065 8.366 1.00 73.01 H new ATOM 0 HG23 VAL A 108 8.503 13.293 8.528 1.00 73.01 H new ATOM 1048 N GLU A 109 12.562 12.851 6.435 1.00 3.20 N ATOM 1049 CA GLU A 109 13.944 12.698 5.997 1.00 31.13 C ATOM 1050 C GLU A 109 14.085 13.027 4.514 1.00 53.50 C ATOM 1051 O GLU A 109 15.109 13.549 4.077 1.00 32.22 O ATOM 1052 CB GLU A 109 14.432 11.272 6.263 1.00 73.50 C ATOM 1053 CG GLU A 109 15.760 10.949 5.599 1.00 22.22 C ATOM 1054 CD GLU A 109 16.811 12.014 5.849 1.00 3.23 C ATOM 1055 OE1 GLU A 109 17.584 12.314 4.914 1.00 23.54 O ATOM 1056 OE2 GLU A 109 16.861 12.546 6.978 1.00 54.33 O ATOM 0 H GLU A 109 12.180 12.039 6.920 1.00 3.20 H new ATOM 0 HA GLU A 109 14.557 13.397 6.566 1.00 31.13 H new ATOM 0 HB2 GLU A 109 14.528 11.125 7.339 1.00 73.50 H new ATOM 0 HB3 GLU A 109 13.678 10.568 5.911 1.00 73.50 H new ATOM 0 HG2 GLU A 109 16.124 9.991 5.970 1.00 22.22 H new ATOM 0 HG3 GLU A 109 15.608 10.839 4.525 1.00 22.22 H new ATOM 1061 N ASN A 110 13.047 12.715 3.744 1.00 73.40 N ATOM 1062 CA ASN A 110 13.055 12.976 2.309 1.00 2.41 C ATOM 1063 C ASN A 110 13.342 14.447 2.024 1.00 21.54 C ATOM 1064 O ASN A 110 13.816 14.801 0.945 1.00 11.34 O ATOM 1065 CB ASN A 110 11.713 12.579 1.690 1.00 10.32 C ATOM 1066 CG ASN A 110 11.741 12.613 0.174 1.00 31.30 C ATOM 1067 OD1 ASN A 110 12.805 12.516 -0.439 1.00 42.01 O ATOM 1068 ND2 ASN A 110 10.572 12.752 -0.437 1.00 5.52 N ATOM 0 H ASN A 110 12.191 12.282 4.089 1.00 73.40 H new ATOM 0 HA ASN A 110 13.847 12.376 1.861 1.00 2.41 H new ATOM 0 HB2 ASN A 110 11.445 11.576 2.023 1.00 10.32 H new ATOM 0 HB3 ASN A 110 10.936 13.253 2.051 1.00 10.32 H new ATOM 0 HD21 ASN A 110 10.529 12.782 -1.456 1.00 5.52 H new ATOM 0 HD22 ASN A 110 9.716 12.829 0.112 1.00 5.52 H new ATOM 1074 N ASP A 111 13.053 15.300 3.001 1.00 23.14 N ATOM 1075 CA ASP A 111 13.282 16.732 2.858 1.00 65.52 C ATOM 1076 C ASP A 111 12.325 17.336 1.834 1.00 75.11 C ATOM 1077 O ASP A 111 12.752 17.979 0.875 1.00 74.00 O ATOM 1078 CB ASP A 111 14.729 17.001 2.443 1.00 53.33 C ATOM 1079 CG ASP A 111 15.211 18.372 2.873 1.00 43.42 C ATOM 1080 OD1 ASP A 111 16.203 18.442 3.628 1.00 23.14 O ATOM 1081 OD2 ASP A 111 14.595 19.376 2.455 1.00 15.13 O ATOM 0 H ASP A 111 12.660 15.024 3.901 1.00 23.14 H new ATOM 0 HA ASP A 111 13.097 17.202 3.824 1.00 65.52 H new ATOM 0 HB2 ASP A 111 15.376 16.239 2.878 1.00 53.33 H new ATOM 0 HB3 ASP A 111 14.815 16.912 1.360 1.00 53.33 H new ATOM 1085 N ASP A 112 11.031 17.124 2.044 1.00 61.31 N ATOM 1086 CA ASP A 112 10.014 17.646 1.138 1.00 24.42 C ATOM 1087 C ASP A 112 9.008 18.510 1.893 1.00 63.33 C ATOM 1088 O ASP A 112 8.525 19.517 1.372 1.00 13.41 O ATOM 1089 CB ASP A 112 9.291 16.499 0.433 1.00 51.33 C ATOM 1090 CG ASP A 112 8.490 16.970 -0.765 1.00 41.53 C ATOM 1091 OD1 ASP A 112 7.271 16.700 -0.806 1.00 23.41 O ATOM 1092 OD2 ASP A 112 9.080 17.606 -1.662 1.00 71.54 O ATOM 0 H ASP A 112 10.661 16.594 2.833 1.00 61.31 H new ATOM 0 HA ASP A 112 10.511 18.265 0.391 1.00 24.42 H new ATOM 0 HB2 ASP A 112 10.021 15.757 0.109 1.00 51.33 H new ATOM 0 HB3 ASP A 112 8.625 16.004 1.140 1.00 51.33 H new ATOM 1096 N ILE A 113 8.696 18.111 3.122 1.00 75.45 N ATOM 1097 CA ILE A 113 7.748 18.849 3.947 1.00 50.41 C ATOM 1098 C ILE A 113 8.335 19.151 5.321 1.00 65.14 C ATOM 1099 O ILE A 113 9.489 18.829 5.598 1.00 52.21 O ATOM 1100 CB ILE A 113 6.431 18.070 4.124 1.00 53.42 C ATOM 1101 CG1 ILE A 113 6.707 16.685 4.712 1.00 22.55 C ATOM 1102 CG2 ILE A 113 5.703 17.950 2.792 1.00 34.33 C ATOM 1103 CD1 ILE A 113 6.736 16.666 6.225 1.00 53.25 C ATOM 0 H ILE A 113 9.086 17.281 3.568 1.00 75.45 H new ATOM 0 HA ILE A 113 7.540 19.785 3.429 1.00 50.41 H new ATOM 0 HB ILE A 113 5.793 18.618 4.817 1.00 53.42 H new ATOM 0 HG12 ILE A 113 5.942 15.992 4.363 1.00 22.55 H new ATOM 0 HG13 ILE A 113 7.663 16.322 4.334 1.00 22.55 H new ATOM 0 HG21 ILE A 113 4.774 17.397 2.933 1.00 34.33 H new ATOM 0 HG22 ILE A 113 5.478 18.946 2.409 1.00 34.33 H new ATOM 0 HG23 ILE A 113 6.335 17.421 2.078 1.00 34.33 H new ATOM 0 HD11 ILE A 113 6.937 15.652 6.572 1.00 53.25 H new ATOM 0 HD12 ILE A 113 7.520 17.334 6.582 1.00 53.25 H new ATOM 0 HD13 ILE A 113 5.772 16.998 6.612 1.00 53.25 H new ATOM 1114 N GLU A 114 7.531 19.773 6.178 1.00 4.42 N ATOM 1115 CA GLU A 114 7.971 20.119 7.524 1.00 10.21 C ATOM 1116 C GLU A 114 6.851 19.895 8.536 1.00 2.04 C ATOM 1117 O GLU A 114 7.068 19.311 9.598 1.00 61.31 O ATOM 1118 CB GLU A 114 8.435 21.575 7.575 1.00 60.54 C ATOM 1119 CG GLU A 114 9.330 21.970 6.411 1.00 22.34 C ATOM 1120 CD GLU A 114 10.193 23.178 6.722 1.00 12.21 C ATOM 1121 OE1 GLU A 114 9.696 24.314 6.578 1.00 54.33 O ATOM 1122 OE2 GLU A 114 11.364 22.986 7.111 1.00 53.33 O ATOM 0 H GLU A 114 6.572 20.047 5.964 1.00 4.42 H new ATOM 0 HA GLU A 114 8.808 19.470 7.783 1.00 10.21 H new ATOM 0 HB2 GLU A 114 7.561 22.226 7.587 1.00 60.54 H new ATOM 0 HB3 GLU A 114 8.972 21.744 8.509 1.00 60.54 H new ATOM 0 HG2 GLU A 114 9.971 21.128 6.148 1.00 22.34 H new ATOM 0 HG3 GLU A 114 8.712 22.184 5.539 1.00 22.34 H new ATOM 1127 N MET A 115 5.655 20.365 8.201 1.00 43.34 N ATOM 1128 CA MET A 115 4.500 20.216 9.079 1.00 62.20 C ATOM 1129 C MET A 115 3.258 19.828 8.284 1.00 0.03 C ATOM 1130 O MET A 115 2.134 20.115 8.695 1.00 62.11 O ATOM 1131 CB MET A 115 4.245 21.515 9.846 1.00 42.03 C ATOM 1132 CG MET A 115 3.653 21.299 11.229 1.00 54.34 C ATOM 1133 SD MET A 115 4.039 22.642 12.368 1.00 75.21 S ATOM 1134 CE MET A 115 2.878 22.309 13.690 1.00 40.04 C ATOM 0 H MET A 115 5.459 20.853 7.327 1.00 43.34 H new ATOM 0 HA MET A 115 4.716 19.419 9.790 1.00 62.20 H new ATOM 0 HB2 MET A 115 5.184 22.060 9.943 1.00 42.03 H new ATOM 0 HB3 MET A 115 3.570 22.144 9.265 1.00 42.03 H new ATOM 0 HG2 MET A 115 2.571 21.199 11.145 1.00 54.34 H new ATOM 0 HG3 MET A 115 4.029 20.361 11.638 1.00 54.34 H new ATOM 0 HE1 MET A 115 2.994 23.058 14.474 1.00 40.04 H new ATOM 0 HE2 MET A 115 1.861 22.348 13.299 1.00 40.04 H new ATOM 0 HE3 MET A 115 3.071 21.319 14.103 1.00 40.04 H new ATOM 1142 N GLN A 116 3.468 19.175 7.146 1.00 71.22 N ATOM 1143 CA GLN A 116 2.365 18.749 6.294 1.00 22.33 C ATOM 1144 C GLN A 116 1.768 17.437 6.792 1.00 62.14 C ATOM 1145 O GLN A 116 0.549 17.267 6.815 1.00 64.03 O ATOM 1146 CB GLN A 116 2.839 18.592 4.849 1.00 52.33 C ATOM 1147 CG GLN A 116 1.784 18.959 3.818 1.00 23.40 C ATOM 1148 CD GLN A 116 2.361 19.131 2.427 1.00 33.02 C ATOM 1149 OE1 GLN A 116 2.614 20.250 1.981 1.00 20.21 O ATOM 1150 NE2 GLN A 116 2.573 18.018 1.732 1.00 33.50 N ATOM 0 H GLN A 116 4.393 18.929 6.793 1.00 71.22 H new ATOM 0 HA GLN A 116 1.592 19.517 6.333 1.00 22.33 H new ATOM 0 HB2 GLN A 116 3.719 19.217 4.694 1.00 52.33 H new ATOM 0 HB3 GLN A 116 3.149 17.560 4.687 1.00 52.33 H new ATOM 0 HG2 GLN A 116 1.018 18.184 3.796 1.00 23.40 H new ATOM 0 HG3 GLN A 116 1.293 19.884 4.120 1.00 23.40 H new ATOM 0 HE21 GLN A 116 2.349 17.111 2.141 1.00 33.50 H new ATOM 0 HE22 GLN A 116 2.960 18.071 0.790 1.00 33.50 H new ATOM 1157 N ALA A 117 2.634 16.511 7.189 1.00 74.00 N ATOM 1158 CA ALA A 117 2.193 15.215 7.687 1.00 21.14 C ATOM 1159 C ALA A 117 1.497 15.354 9.037 1.00 41.50 C ATOM 1160 O ALA A 117 0.498 14.684 9.304 1.00 70.31 O ATOM 1161 CB ALA A 117 3.373 14.261 7.795 1.00 0.44 C ATOM 0 H ALA A 117 3.646 16.635 7.175 1.00 74.00 H new ATOM 0 HA ALA A 117 1.474 14.806 6.977 1.00 21.14 H new ATOM 0 HB1 ALA A 117 3.028 13.297 8.168 1.00 0.44 H new ATOM 0 HB2 ALA A 117 3.825 14.129 6.812 1.00 0.44 H new ATOM 0 HB3 ALA A 117 4.112 14.673 8.482 1.00 0.44 H new ATOM 1167 N LEU A 118 2.030 16.226 9.885 1.00 63.33 N ATOM 1168 CA LEU A 118 1.460 16.453 11.209 1.00 33.32 C ATOM 1169 C LEU A 118 0.365 17.512 11.156 1.00 3.02 C ATOM 1170 O LEU A 118 -0.689 17.362 11.773 1.00 53.21 O ATOM 1171 CB LEU A 118 2.553 16.881 12.190 1.00 40.03 C ATOM 1172 CG LEU A 118 3.224 15.757 12.980 1.00 21.35 C ATOM 1173 CD1 LEU A 118 4.594 16.196 13.474 1.00 74.15 C ATOM 1174 CD2 LEU A 118 2.347 15.329 14.148 1.00 64.13 C ATOM 0 H LEU A 118 2.856 16.788 9.680 1.00 63.33 H new ATOM 0 HA LEU A 118 1.018 15.518 11.553 1.00 33.32 H new ATOM 0 HB2 LEU A 118 3.323 17.417 11.634 1.00 40.03 H new ATOM 0 HB3 LEU A 118 2.121 17.588 12.898 1.00 40.03 H new ATOM 0 HG LEU A 118 3.356 14.902 12.317 1.00 21.35 H new ATOM 0 HD11 LEU A 118 5.056 15.383 14.034 1.00 74.15 H new ATOM 0 HD12 LEU A 118 5.223 16.453 12.622 1.00 74.15 H new ATOM 0 HD13 LEU A 118 4.486 17.067 14.121 1.00 74.15 H new ATOM 0 HD21 LEU A 118 2.840 14.528 14.699 1.00 64.13 H new ATOM 0 HD22 LEU A 118 2.184 16.179 14.811 1.00 64.13 H new ATOM 0 HD23 LEU A 118 1.388 14.973 13.772 1.00 64.13 H new ATOM 1185 N GLY A 119 0.621 18.584 10.413 1.00 63.22 N ATOM 1186 CA GLY A 119 -0.354 19.654 10.291 1.00 54.40 C ATOM 1187 C GLY A 119 -1.705 19.154 9.819 1.00 45.14 C ATOM 1188 O GLY A 119 -2.744 19.600 10.306 1.00 50.42 O ATOM 0 H GLY A 119 1.486 18.731 9.893 1.00 63.22 H new ATOM 0 HA2 GLY A 119 -0.469 20.148 11.256 1.00 54.40 H new ATOM 0 HA3 GLY A 119 0.018 20.403 9.592 1.00 54.40 H new ATOM 1192 N SER A 120 -1.692 18.228 8.866 1.00 53.12 N ATOM 1193 CA SER A 120 -2.926 17.672 8.322 1.00 35.30 C ATOM 1194 C SER A 120 -2.743 16.203 7.953 1.00 2.04 C ATOM 1195 O SER A 120 -1.735 15.586 8.294 1.00 73.24 O ATOM 1196 CB SER A 120 -3.371 18.467 7.093 1.00 0.11 C ATOM 1197 OG SER A 120 -3.172 19.856 7.285 1.00 23.44 O ATOM 0 H SER A 120 -0.840 17.847 8.454 1.00 53.12 H new ATOM 0 HA SER A 120 -3.697 17.743 9.090 1.00 35.30 H new ATOM 0 HB2 SER A 120 -2.812 18.134 6.219 1.00 0.11 H new ATOM 0 HB3 SER A 120 -4.424 18.272 6.891 1.00 0.11 H new ATOM 0 HG SER A 120 -3.463 20.342 6.485 1.00 23.44 H new ATOM 1202 N ASN A 121 -3.728 15.648 7.253 1.00 60.14 N ATOM 1203 CA ASN A 121 -3.677 14.251 6.837 1.00 23.40 C ATOM 1204 C ASN A 121 -3.667 13.323 8.047 1.00 24.31 C ATOM 1205 O ASN A 121 -2.883 12.376 8.112 1.00 15.12 O ATOM 1206 CB ASN A 121 -2.438 13.999 5.976 1.00 1.23 C ATOM 1207 CG ASN A 121 -2.112 15.172 5.072 1.00 2.41 C ATOM 1208 OD1 ASN A 121 -2.973 15.662 4.339 1.00 71.30 O ATOM 1209 ND2 ASN A 121 -0.866 15.628 5.120 1.00 50.25 N ATOM 0 H ASN A 121 -4.570 16.144 6.962 1.00 60.14 H new ATOM 0 HA ASN A 121 -4.570 14.040 6.248 1.00 23.40 H new ATOM 0 HB2 ASN A 121 -1.585 13.795 6.623 1.00 1.23 H new ATOM 0 HB3 ASN A 121 -2.597 13.109 5.368 1.00 1.23 H new ATOM 0 HD21 ASN A 121 -0.588 16.416 4.534 1.00 50.25 H new ATOM 0 HD22 ASN A 121 -0.187 15.191 5.742 1.00 50.25 H new ATOM 1215 N THR A 122 -4.543 13.602 9.007 1.00 5.54 N ATOM 1216 CA THR A 122 -4.636 12.793 10.216 1.00 50.22 C ATOM 1217 C THR A 122 -5.487 11.550 9.982 1.00 0.31 C ATOM 1218 O THR A 122 -5.222 10.488 10.547 1.00 31.12 O ATOM 1219 CB THR A 122 -5.234 13.597 11.385 1.00 23.42 C ATOM 1220 OG1 THR A 122 -6.021 14.683 10.882 1.00 31.23 O ATOM 1221 CG2 THR A 122 -4.135 14.137 12.288 1.00 1.14 C ATOM 0 H THR A 122 -5.199 14.383 8.971 1.00 5.54 H new ATOM 0 HA THR A 122 -3.621 12.492 10.473 1.00 50.22 H new ATOM 0 HB THR A 122 -5.868 12.930 11.969 1.00 23.42 H new ATOM 0 HG1 THR A 122 -6.399 15.188 11.632 1.00 31.23 H new ATOM 0 HG21 THR A 122 -4.581 14.702 13.107 1.00 1.14 H new ATOM 0 HG22 THR A 122 -3.556 13.307 12.693 1.00 1.14 H new ATOM 0 HG23 THR A 122 -3.479 14.790 11.712 1.00 1.14 H new ATOM 1229 N THR A 123 -6.511 11.688 9.146 1.00 11.44 N ATOM 1230 CA THR A 123 -7.401 10.575 8.837 1.00 24.51 C ATOM 1231 C THR A 123 -6.619 9.368 8.334 1.00 52.52 C ATOM 1232 O THR A 123 -5.524 9.510 7.787 1.00 5.11 O ATOM 1233 CB THR A 123 -8.450 10.970 7.781 1.00 71.35 C ATOM 1234 OG1 THR A 123 -7.822 11.131 6.504 1.00 15.34 O ATOM 1235 CG2 THR A 123 -9.151 12.263 8.172 1.00 71.33 C ATOM 0 H THR A 123 -6.745 12.560 8.671 1.00 11.44 H new ATOM 0 HA THR A 123 -7.911 10.313 9.764 1.00 24.51 H new ATOM 0 HB THR A 123 -9.193 10.175 7.724 1.00 71.35 H new ATOM 0 HG1 THR A 123 -8.496 11.380 5.837 1.00 15.34 H new ATOM 0 HG21 THR A 123 -9.887 12.522 7.411 1.00 71.33 H new ATOM 0 HG22 THR A 123 -9.652 12.130 9.131 1.00 71.33 H new ATOM 0 HG23 THR A 123 -8.417 13.064 8.254 1.00 71.33 H new ATOM 1243 N ILE A 124 -7.186 8.181 8.521 1.00 54.53 N ATOM 1244 CA ILE A 124 -6.541 6.949 8.082 1.00 42.34 C ATOM 1245 C ILE A 124 -7.552 5.988 7.467 1.00 4.44 C ATOM 1246 O ILE A 124 -8.734 6.007 7.814 1.00 34.12 O ATOM 1247 CB ILE A 124 -5.823 6.244 9.248 1.00 62.33 C ATOM 1248 CG1 ILE A 124 -6.821 5.894 10.353 1.00 25.40 C ATOM 1249 CG2 ILE A 124 -4.708 7.124 9.792 1.00 54.11 C ATOM 1250 CD1 ILE A 124 -7.342 4.477 10.271 1.00 20.12 C ATOM 0 H ILE A 124 -8.090 8.046 8.973 1.00 54.53 H new ATOM 0 HA ILE A 124 -5.805 7.229 7.328 1.00 42.34 H new ATOM 0 HB ILE A 124 -5.381 5.319 8.878 1.00 62.33 H new ATOM 0 HG12 ILE A 124 -6.344 6.041 11.322 1.00 25.40 H new ATOM 0 HG13 ILE A 124 -7.662 6.585 10.303 1.00 25.40 H new ATOM 0 HG21 ILE A 124 -4.210 6.612 10.616 1.00 54.11 H new ATOM 0 HG22 ILE A 124 -3.986 7.327 9.001 1.00 54.11 H new ATOM 0 HG23 ILE A 124 -5.128 8.064 10.150 1.00 54.11 H new ATOM 0 HD11 ILE A 124 -8.044 4.300 11.086 1.00 20.12 H new ATOM 0 HD12 ILE A 124 -7.848 4.330 9.317 1.00 20.12 H new ATOM 0 HD13 ILE A 124 -6.509 3.778 10.351 1.00 20.12 H new ATOM 1261 N HIS A 125 -7.080 5.147 6.553 1.00 42.12 N ATOM 1262 CA HIS A 125 -7.944 4.175 5.890 1.00 74.52 C ATOM 1263 C HIS A 125 -7.822 2.804 6.548 1.00 3.51 C ATOM 1264 O HIS A 125 -6.775 2.162 6.478 1.00 33.13 O ATOM 1265 CB HIS A 125 -7.590 4.075 4.406 1.00 71.14 C ATOM 1266 CG HIS A 125 -7.938 5.303 3.623 1.00 44.11 C ATOM 1267 ND1 HIS A 125 -8.274 6.502 4.214 1.00 64.02 N ATOM 1268 CD2 HIS A 125 -8.000 5.514 2.287 1.00 13.14 C ATOM 1269 CE1 HIS A 125 -8.529 7.397 3.277 1.00 43.32 C ATOM 1270 NE2 HIS A 125 -8.370 6.822 2.098 1.00 1.11 N ATOM 0 H HIS A 125 -6.105 5.118 6.254 1.00 42.12 H new ATOM 0 HA HIS A 125 -8.975 4.515 5.987 1.00 74.52 H new ATOM 0 HB2 HIS A 125 -6.522 3.882 4.308 1.00 71.14 H new ATOM 0 HB3 HIS A 125 -8.109 3.219 3.974 1.00 71.14 H new ATOM 0 HD2 HIS A 125 -7.796 4.788 1.514 1.00 13.14 H new ATOM 0 HE1 HIS A 125 -8.818 8.424 3.446 1.00 43.32 H new ATOM 0 HE2 HIS A 125 -8.501 7.276 1.194 1.00 1.11 H new ATOM 1277 N ALA A 126 -8.901 2.361 7.186 1.00 63.51 N ATOM 1278 CA ALA A 126 -8.916 1.066 7.855 1.00 63.25 C ATOM 1279 C ALA A 126 -9.662 0.027 7.024 1.00 64.34 C ATOM 1280 O ALA A 126 -10.880 0.107 6.862 1.00 23.41 O ATOM 1281 CB ALA A 126 -9.544 1.192 9.235 1.00 70.24 C ATOM 0 H ALA A 126 -9.776 2.880 7.253 1.00 63.51 H new ATOM 0 HA ALA A 126 -7.885 0.731 7.967 1.00 63.25 H new ATOM 0 HB1 ALA A 126 -9.549 0.217 9.723 1.00 70.24 H new ATOM 0 HB2 ALA A 126 -8.966 1.895 9.835 1.00 70.24 H new ATOM 0 HB3 ALA A 126 -10.568 1.554 9.137 1.00 70.24 H new ATOM 1287 N TYR A 127 -8.925 -0.944 6.500 1.00 75.14 N ATOM 1288 CA TYR A 127 -9.517 -1.997 5.683 1.00 71.45 C ATOM 1289 C TYR A 127 -9.951 -3.177 6.546 1.00 23.12 C ATOM 1290 O TYR A 127 -9.124 -3.972 6.993 1.00 65.50 O ATOM 1291 CB TYR A 127 -8.523 -2.467 4.620 1.00 71.34 C ATOM 1292 CG TYR A 127 -8.651 -1.733 3.304 1.00 43.13 C ATOM 1293 CD1 TYR A 127 -9.464 -2.223 2.289 1.00 31.41 C ATOM 1294 CD2 TYR A 127 -7.960 -0.549 3.076 1.00 43.24 C ATOM 1295 CE1 TYR A 127 -9.583 -1.556 1.085 1.00 64.35 C ATOM 1296 CE2 TYR A 127 -8.075 0.125 1.876 1.00 63.32 C ATOM 1297 CZ TYR A 127 -8.888 -0.382 0.883 1.00 73.12 C ATOM 1298 OH TYR A 127 -9.005 0.285 -0.314 1.00 61.45 O ATOM 0 H TYR A 127 -7.916 -1.025 6.626 1.00 75.14 H new ATOM 0 HA TYR A 127 -10.398 -1.587 5.190 1.00 71.45 H new ATOM 0 HB2 TYR A 127 -7.510 -2.339 5.001 1.00 71.34 H new ATOM 0 HB3 TYR A 127 -8.666 -3.534 4.447 1.00 71.34 H new ATOM 0 HD1 TYR A 127 -10.012 -3.141 2.444 1.00 31.41 H new ATOM 0 HD2 TYR A 127 -7.322 -0.149 3.850 1.00 43.24 H new ATOM 0 HE1 TYR A 127 -10.217 -1.952 0.306 1.00 64.35 H new ATOM 0 HE2 TYR A 127 -7.531 1.044 1.716 1.00 63.32 H new ATOM 0 HH TYR A 127 -8.452 1.094 -0.293 1.00 61.45 H new ATOM 1307 N PHE A 128 -11.256 -3.287 6.775 1.00 63.31 N ATOM 1308 CA PHE A 128 -11.802 -4.369 7.584 1.00 22.23 C ATOM 1309 C PHE A 128 -12.219 -5.546 6.708 1.00 4.22 C ATOM 1310 O PHE A 128 -13.128 -5.430 5.886 1.00 71.44 O ATOM 1311 CB PHE A 128 -13.001 -3.872 8.397 1.00 74.23 C ATOM 1312 CG PHE A 128 -13.167 -4.578 9.712 1.00 72.33 C ATOM 1313 CD1 PHE A 128 -13.134 -3.868 10.902 1.00 2.34 C ATOM 1314 CD2 PHE A 128 -13.356 -5.949 9.759 1.00 35.31 C ATOM 1315 CE1 PHE A 128 -13.287 -4.515 12.114 1.00 24.33 C ATOM 1316 CE2 PHE A 128 -13.509 -6.601 10.968 1.00 22.24 C ATOM 1317 CZ PHE A 128 -13.474 -5.882 12.147 1.00 14.05 C ATOM 0 H PHE A 128 -11.955 -2.639 6.411 1.00 63.31 H new ATOM 0 HA PHE A 128 -11.023 -4.707 8.268 1.00 22.23 H new ATOM 0 HB2 PHE A 128 -12.889 -2.803 8.579 1.00 74.23 H new ATOM 0 HB3 PHE A 128 -13.908 -4.001 7.807 1.00 74.23 H new ATOM 0 HD1 PHE A 128 -12.987 -2.798 10.882 1.00 2.34 H new ATOM 0 HD2 PHE A 128 -13.384 -6.516 8.840 1.00 35.31 H new ATOM 0 HE1 PHE A 128 -13.260 -3.951 13.035 1.00 24.33 H new ATOM 0 HE2 PHE A 128 -13.656 -7.671 10.991 1.00 22.24 H new ATOM 0 HZ PHE A 128 -13.593 -6.389 13.093 1.00 14.05 H new ATOM 1326 N ARG A 129 -11.549 -6.678 6.891 1.00 53.41 N ATOM 1327 CA ARG A 129 -11.848 -7.877 6.117 1.00 53.24 C ATOM 1328 C ARG A 129 -12.818 -8.783 6.869 1.00 14.12 C ATOM 1329 O ARG A 129 -12.902 -8.737 8.096 1.00 31.24 O ATOM 1330 CB ARG A 129 -10.560 -8.641 5.801 1.00 43.43 C ATOM 1331 CG ARG A 129 -10.649 -9.487 4.540 1.00 34.51 C ATOM 1332 CD ARG A 129 -9.354 -10.244 4.287 1.00 10.52 C ATOM 1333 NE ARG A 129 -8.339 -9.401 3.661 1.00 64.15 N ATOM 1334 CZ ARG A 129 -8.315 -9.123 2.363 1.00 63.05 C ATOM 1335 NH1 ARG A 129 -9.244 -9.619 1.557 1.00 63.21 N ATOM 1336 NH2 ARG A 129 -7.360 -8.347 1.866 1.00 34.52 N ATOM 0 H ARG A 129 -10.795 -6.791 7.569 1.00 53.41 H new ATOM 0 HA ARG A 129 -12.317 -7.568 5.183 1.00 53.24 H new ATOM 0 HB2 ARG A 129 -9.742 -7.929 5.694 1.00 43.43 H new ATOM 0 HB3 ARG A 129 -10.313 -9.286 6.645 1.00 43.43 H new ATOM 0 HG2 ARG A 129 -11.474 -10.194 4.632 1.00 34.51 H new ATOM 0 HG3 ARG A 129 -10.871 -8.847 3.686 1.00 34.51 H new ATOM 0 HD2 ARG A 129 -8.971 -10.632 5.231 1.00 10.52 H new ATOM 0 HD3 ARG A 129 -9.556 -11.103 3.648 1.00 10.52 H new ATOM 0 HE ARG A 129 -7.609 -9.004 4.253 1.00 64.15 H new ATOM 0 HH11 ARG A 129 -9.980 -10.216 1.934 1.00 63.21 H new ATOM 0 HH12 ARG A 129 -9.222 -9.403 0.560 1.00 63.21 H new ATOM 0 HH21 ARG A 129 -6.643 -7.963 2.481 1.00 34.52 H new ATOM 0 HH22 ARG A 129 -7.343 -8.134 0.869 1.00 34.52 H new ATOM 1347 N LYS A 130 -13.549 -9.606 6.126 1.00 53.32 N ATOM 1348 CA LYS A 130 -14.512 -10.524 6.721 1.00 0.21 C ATOM 1349 C LYS A 130 -13.877 -11.318 7.859 1.00 64.34 C ATOM 1350 O LYS A 130 -12.658 -11.313 8.026 1.00 73.11 O ATOM 1351 CB LYS A 130 -15.059 -11.482 5.661 1.00 50.45 C ATOM 1352 CG LYS A 130 -13.977 -12.153 4.831 1.00 23.25 C ATOM 1353 CD LYS A 130 -13.284 -13.260 5.610 1.00 45.22 C ATOM 1354 CE LYS A 130 -12.681 -14.301 4.679 1.00 32.35 C ATOM 1355 NZ LYS A 130 -12.108 -15.451 5.432 1.00 51.22 N ATOM 0 H LYS A 130 -13.493 -9.656 5.109 1.00 53.32 H new ATOM 0 HA LYS A 130 -15.334 -9.934 7.127 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -15.658 -12.250 6.151 1.00 50.45 H new ATOM 0 HB3 LYS A 130 -15.727 -10.933 4.997 1.00 50.45 H new ATOM 0 HG2 LYS A 130 -14.417 -12.566 3.923 1.00 23.25 H new ATOM 0 HG3 LYS A 130 -13.242 -11.410 4.520 1.00 23.25 H new ATOM 0 HD2 LYS A 130 -12.501 -12.831 6.235 1.00 45.22 H new ATOM 0 HD3 LYS A 130 -13.999 -13.739 6.279 1.00 45.22 H new ATOM 0 HE2 LYS A 130 -13.447 -14.662 3.992 1.00 32.35 H new ATOM 0 HE3 LYS A 130 -11.902 -13.839 4.073 1.00 32.35 H new ATOM 0 HZ1 LYS A 130 -11.707 -16.139 4.763 1.00 51.22 H new ATOM 0 HZ2 LYS A 130 -11.360 -15.111 6.069 1.00 51.22 H new ATOM 0 HZ3 LYS A 130 -12.857 -15.908 5.991 1.00 51.22 H new ATOM 1365 N ASP A 131 -14.711 -11.999 8.636 1.00 4.23 N ATOM 1366 CA ASP A 131 -14.230 -12.799 9.756 1.00 11.34 C ATOM 1367 C ASP A 131 -14.501 -14.282 9.520 1.00 21.04 C ATOM 1368 O ASP A 131 -13.740 -15.140 9.966 1.00 13.42 O ATOM 1369 CB ASP A 131 -14.896 -12.347 11.058 1.00 41.45 C ATOM 1370 CG ASP A 131 -16.380 -12.655 11.086 1.00 52.24 C ATOM 1371 OD1 ASP A 131 -17.182 -11.735 10.823 1.00 21.12 O ATOM 1372 OD2 ASP A 131 -16.740 -13.817 11.370 1.00 4.44 O ATOM 0 H ASP A 131 -15.723 -12.013 8.511 1.00 4.23 H new ATOM 0 HA ASP A 131 -13.153 -12.653 9.839 1.00 11.34 H new ATOM 0 HB2 ASP A 131 -14.410 -12.838 11.901 1.00 41.45 H new ATOM 0 HB3 ASP A 131 -14.748 -11.275 11.185 1.00 41.45 H new ATOM 1376 N TRP A 132 -15.590 -14.575 8.819 1.00 25.53 N ATOM 1377 CA TRP A 132 -15.961 -15.954 8.525 1.00 42.50 C ATOM 1378 C TRP A 132 -16.504 -16.081 7.106 1.00 51.12 C ATOM 1379 O TRP A 132 -16.197 -17.040 6.398 1.00 71.21 O ATOM 1380 CB TRP A 132 -17.005 -16.448 9.529 1.00 2.10 C ATOM 1381 CG TRP A 132 -17.527 -17.818 9.219 1.00 72.23 C ATOM 1382 CD1 TRP A 132 -16.791 -18.919 8.885 1.00 34.53 C ATOM 1383 CD2 TRP A 132 -18.897 -18.232 9.210 1.00 0.02 C ATOM 1384 NE1 TRP A 132 -17.621 -19.993 8.671 1.00 63.13 N ATOM 1385 CE2 TRP A 132 -18.919 -19.597 8.865 1.00 72.24 C ATOM 1386 CE3 TRP A 132 -20.108 -17.583 9.464 1.00 43.10 C ATOM 1387 CZ2 TRP A 132 -20.103 -20.321 8.765 1.00 41.42 C ATOM 1388 CZ3 TRP A 132 -21.284 -18.302 9.364 1.00 53.32 C ATOM 1389 CH2 TRP A 132 -21.274 -19.661 9.018 1.00 62.14 C ATOM 0 H TRP A 132 -16.231 -13.876 8.444 1.00 25.53 H new ATOM 0 HA TRP A 132 -15.066 -16.570 8.608 1.00 42.50 H new ATOM 0 HB2 TRP A 132 -16.566 -16.452 10.527 1.00 2.10 H new ATOM 0 HB3 TRP A 132 -17.838 -15.746 9.550 1.00 2.10 H new ATOM 0 HD1 TRP A 132 -15.714 -18.942 8.801 1.00 34.53 H new ATOM 0 HE1 TRP A 132 -17.320 -20.932 8.410 1.00 63.13 H new ATOM 0 HE3 TRP A 132 -20.125 -16.537 9.734 1.00 43.10 H new ATOM 0 HZ2 TRP A 132 -20.098 -21.367 8.497 1.00 41.42 H new ATOM 0 HZ3 TRP A 132 -22.226 -17.809 9.555 1.00 53.32 H new ATOM 0 HH2 TRP A 132 -22.209 -20.197 8.950 1.00 62.14 H new ATOM 1399 N SER A 133 -17.312 -15.108 6.696 1.00 21.12 N ATOM 1400 CA SER A 133 -17.900 -15.114 5.362 1.00 32.11 C ATOM 1401 C SER A 133 -16.903 -14.600 4.328 1.00 44.35 C ATOM 1402 O SER A 133 -15.714 -14.458 4.611 1.00 12.40 O ATOM 1403 CB SER A 133 -19.167 -14.257 5.336 1.00 32.02 C ATOM 1404 OG SER A 133 -19.940 -14.455 6.507 1.00 41.44 O ATOM 0 H SER A 133 -17.574 -14.306 7.269 1.00 21.12 H new ATOM 0 HA SER A 133 -18.161 -16.142 5.111 1.00 32.11 H new ATOM 0 HB2 SER A 133 -18.896 -13.205 5.249 1.00 32.02 H new ATOM 0 HB3 SER A 133 -19.761 -14.507 4.457 1.00 32.02 H new ATOM 0 HG SER A 133 -20.743 -13.895 6.467 1.00 41.44 H new ATOM 1409 N ASP A 134 -17.397 -14.322 3.126 1.00 4.33 N ATOM 1410 CA ASP A 134 -16.553 -13.823 2.048 1.00 20.10 C ATOM 1411 C ASP A 134 -16.936 -12.395 1.674 1.00 65.34 C ATOM 1412 O ASP A 134 -17.622 -12.164 0.678 1.00 24.11 O ATOM 1413 CB ASP A 134 -16.663 -14.731 0.822 1.00 1.23 C ATOM 1414 CG ASP A 134 -18.054 -15.309 0.653 1.00 4.25 C ATOM 1415 OD1 ASP A 134 -18.835 -14.751 -0.145 1.00 14.54 O ATOM 1416 OD2 ASP A 134 -18.363 -16.319 1.321 1.00 72.03 O ATOM 0 H ASP A 134 -18.379 -14.434 2.874 1.00 4.33 H new ATOM 0 HA ASP A 134 -15.521 -13.823 2.399 1.00 20.10 H new ATOM 0 HB2 ASP A 134 -16.397 -14.165 -0.071 1.00 1.23 H new ATOM 0 HB3 ASP A 134 -15.943 -15.544 0.910 1.00 1.23 H new ATOM 1420 N LYS A 135 -16.489 -11.437 2.480 1.00 73.02 N ATOM 1421 CA LYS A 135 -16.784 -10.030 2.235 1.00 71.14 C ATOM 1422 C LYS A 135 -15.625 -9.146 2.683 1.00 45.10 C ATOM 1423 O LYS A 135 -14.756 -9.580 3.438 1.00 45.12 O ATOM 1424 CB LYS A 135 -18.064 -9.621 2.967 1.00 1.05 C ATOM 1425 CG LYS A 135 -18.131 -10.122 4.400 1.00 64.24 C ATOM 1426 CD LYS A 135 -19.435 -9.721 5.070 1.00 70.44 C ATOM 1427 CE LYS A 135 -19.465 -10.146 6.530 1.00 43.14 C ATOM 1428 NZ LYS A 135 -20.545 -9.454 7.287 1.00 33.50 N ATOM 0 H LYS A 135 -15.921 -11.610 3.309 1.00 73.02 H new ATOM 0 HA LYS A 135 -16.927 -9.896 1.163 1.00 71.14 H new ATOM 0 HB2 LYS A 135 -18.141 -8.534 2.967 1.00 1.05 H new ATOM 0 HB3 LYS A 135 -18.925 -10.002 2.417 1.00 1.05 H new ATOM 0 HG2 LYS A 135 -18.033 -11.208 4.412 1.00 64.24 H new ATOM 0 HG3 LYS A 135 -17.291 -9.720 4.967 1.00 64.24 H new ATOM 0 HD2 LYS A 135 -19.563 -8.641 5.002 1.00 70.44 H new ATOM 0 HD3 LYS A 135 -20.272 -10.175 4.540 1.00 70.44 H new ATOM 0 HE2 LYS A 135 -19.612 -11.224 6.591 1.00 43.14 H new ATOM 0 HE3 LYS A 135 -18.502 -9.929 6.991 1.00 43.14 H new ATOM 0 HZ1 LYS A 135 -20.532 -9.771 8.278 1.00 33.50 H new ATOM 0 HZ2 LYS A 135 -20.391 -8.426 7.250 1.00 33.50 H new ATOM 0 HZ3 LYS A 135 -21.467 -9.681 6.863 1.00 33.50 H new ATOM 1438 N ALA A 136 -15.620 -7.902 2.212 1.00 33.41 N ATOM 1439 CA ALA A 136 -14.570 -6.956 2.568 1.00 33.40 C ATOM 1440 C ALA A 136 -15.128 -5.544 2.709 1.00 51.24 C ATOM 1441 O ALA A 136 -15.727 -5.006 1.777 1.00 42.44 O ATOM 1442 CB ALA A 136 -13.460 -6.985 1.527 1.00 34.55 C ATOM 0 H ALA A 136 -16.331 -7.527 1.584 1.00 33.41 H new ATOM 0 HA ALA A 136 -14.158 -7.254 3.532 1.00 33.40 H new ATOM 0 HB1 ALA A 136 -12.682 -6.274 1.805 1.00 34.55 H new ATOM 0 HB2 ALA A 136 -13.034 -7.987 1.477 1.00 34.55 H new ATOM 0 HB3 ALA A 136 -13.868 -6.715 0.553 1.00 34.55 H new ATOM 1448 N LEU A 137 -14.928 -4.948 3.878 1.00 31.34 N ATOM 1449 CA LEU A 137 -15.413 -3.597 4.142 1.00 12.24 C ATOM 1450 C LEU A 137 -14.249 -2.631 4.343 1.00 63.24 C ATOM 1451 O LEU A 137 -13.216 -2.994 4.906 1.00 44.42 O ATOM 1452 CB LEU A 137 -16.316 -3.590 5.377 1.00 71.02 C ATOM 1453 CG LEU A 137 -17.517 -2.646 5.324 1.00 44.30 C ATOM 1454 CD1 LEU A 137 -18.704 -3.252 6.056 1.00 11.43 C ATOM 1455 CD2 LEU A 137 -17.158 -1.292 5.916 1.00 63.21 C ATOM 0 H LEU A 137 -14.433 -5.378 4.659 1.00 31.34 H new ATOM 0 HA LEU A 137 -15.989 -3.268 3.277 1.00 12.24 H new ATOM 0 HB2 LEU A 137 -16.683 -4.603 5.540 1.00 71.02 H new ATOM 0 HB3 LEU A 137 -15.710 -3.327 6.244 1.00 71.02 H new ATOM 0 HG LEU A 137 -17.795 -2.501 4.280 1.00 44.30 H new ATOM 0 HD11 LEU A 137 -19.550 -2.566 6.008 1.00 11.43 H new ATOM 0 HD12 LEU A 137 -18.976 -4.198 5.587 1.00 11.43 H new ATOM 0 HD13 LEU A 137 -18.438 -3.427 7.098 1.00 11.43 H new ATOM 0 HD21 LEU A 137 -18.025 -0.633 5.870 1.00 63.21 H new ATOM 0 HD22 LEU A 137 -16.853 -1.418 6.955 1.00 63.21 H new ATOM 0 HD23 LEU A 137 -16.338 -0.853 5.348 1.00 63.21 H new ATOM 1466 N LYS A 138 -14.425 -1.398 3.880 1.00 21.14 N ATOM 1467 CA LYS A 138 -13.393 -0.377 4.011 1.00 21.55 C ATOM 1468 C LYS A 138 -13.953 0.884 4.662 1.00 22.14 C ATOM 1469 O LYS A 138 -14.858 1.522 4.122 1.00 35.11 O ATOM 1470 CB LYS A 138 -12.805 -0.038 2.640 1.00 31.30 C ATOM 1471 CG LYS A 138 -13.854 0.150 1.558 1.00 20.23 C ATOM 1472 CD LYS A 138 -13.224 0.537 0.232 1.00 71.04 C ATOM 1473 CE LYS A 138 -12.691 1.962 0.262 1.00 70.05 C ATOM 1474 NZ LYS A 138 -12.173 2.389 -1.068 1.00 32.21 N ATOM 0 H LYS A 138 -15.273 -1.082 3.410 1.00 21.14 H new ATOM 0 HA LYS A 138 -12.604 -0.774 4.650 1.00 21.55 H new ATOM 0 HB2 LYS A 138 -12.213 0.874 2.723 1.00 31.30 H new ATOM 0 HB3 LYS A 138 -12.124 -0.834 2.339 1.00 31.30 H new ATOM 0 HG2 LYS A 138 -14.422 -0.772 1.436 1.00 20.23 H new ATOM 0 HG3 LYS A 138 -14.560 0.921 1.865 1.00 20.23 H new ATOM 0 HD2 LYS A 138 -12.412 -0.151 -0.001 1.00 71.04 H new ATOM 0 HD3 LYS A 138 -13.962 0.440 -0.564 1.00 71.04 H new ATOM 0 HE2 LYS A 138 -13.484 2.640 0.577 1.00 70.05 H new ATOM 0 HE3 LYS A 138 -11.895 2.036 1.003 1.00 70.05 H new ATOM 0 HZ1 LYS A 138 -11.819 3.365 -1.006 1.00 32.21 H new ATOM 0 HZ2 LYS A 138 -11.399 1.758 -1.358 1.00 32.21 H new ATOM 0 HZ3 LYS A 138 -12.939 2.343 -1.770 1.00 32.21 H new ATOM 1484 N ILE A 139 -13.410 1.237 5.822 1.00 64.22 N ATOM 1485 CA ILE A 139 -13.856 2.424 6.543 1.00 32.53 C ATOM 1486 C ILE A 139 -12.672 3.286 6.966 1.00 32.20 C ATOM 1487 O ILE A 139 -11.607 2.772 7.310 1.00 34.43 O ATOM 1488 CB ILE A 139 -14.675 2.048 7.792 1.00 31.50 C ATOM 1489 CG1 ILE A 139 -15.331 3.294 8.391 1.00 4.30 C ATOM 1490 CG2 ILE A 139 -13.788 1.364 8.821 1.00 63.11 C ATOM 1491 CD1 ILE A 139 -16.338 2.983 9.476 1.00 65.33 C ATOM 0 H ILE A 139 -12.662 0.719 6.283 1.00 64.22 H new ATOM 0 HA ILE A 139 -14.489 2.990 5.860 1.00 32.53 H new ATOM 0 HB ILE A 139 -15.460 1.352 7.498 1.00 31.50 H new ATOM 0 HG12 ILE A 139 -14.556 3.942 8.801 1.00 4.30 H new ATOM 0 HG13 ILE A 139 -15.826 3.852 7.596 1.00 4.30 H new ATOM 0 HG21 ILE A 139 -14.381 1.104 9.698 1.00 63.11 H new ATOM 0 HG22 ILE A 139 -13.362 0.458 8.390 1.00 63.11 H new ATOM 0 HG23 ILE A 139 -12.984 2.039 9.114 1.00 63.11 H new ATOM 0 HD11 ILE A 139 -16.763 3.912 9.855 1.00 65.33 H new ATOM 0 HD12 ILE A 139 -17.134 2.361 9.066 1.00 65.33 H new ATOM 0 HD13 ILE A 139 -15.844 2.452 10.289 1.00 65.33 H new ATOM 1502 N ASP A 140 -12.865 4.600 6.939 1.00 63.31 N ATOM 1503 CA ASP A 140 -11.814 5.536 7.323 1.00 23.32 C ATOM 1504 C ASP A 140 -12.054 6.076 8.729 1.00 61.43 C ATOM 1505 O ASP A 140 -13.176 6.445 9.082 1.00 75.13 O ATOM 1506 CB ASP A 140 -11.741 6.692 6.324 1.00 23.00 C ATOM 1507 CG ASP A 140 -13.113 7.177 5.900 1.00 43.14 C ATOM 1508 OD1 ASP A 140 -13.990 7.321 6.777 1.00 33.15 O ATOM 1509 OD2 ASP A 140 -13.310 7.414 4.690 1.00 72.11 O ATOM 0 H ASP A 140 -13.740 5.042 6.655 1.00 63.31 H new ATOM 0 HA ASP A 140 -10.865 5.001 7.317 1.00 23.32 H new ATOM 0 HB2 ASP A 140 -11.188 7.519 6.769 1.00 23.00 H new ATOM 0 HB3 ASP A 140 -11.183 6.373 5.443 1.00 23.00 H new ATOM 1513 N LEU A 141 -10.994 6.121 9.529 1.00 3.33 N ATOM 1514 CA LEU A 141 -11.089 6.615 10.899 1.00 43.11 C ATOM 1515 C LEU A 141 -10.465 8.001 11.021 1.00 12.04 C ATOM 1516 O LEU A 141 -9.434 8.284 10.410 1.00 25.34 O ATOM 1517 CB LEU A 141 -10.401 5.645 11.861 1.00 41.14 C ATOM 1518 CG LEU A 141 -11.025 5.524 13.252 1.00 50.14 C ATOM 1519 CD1 LEU A 141 -12.465 5.045 13.150 1.00 25.12 C ATOM 1520 CD2 LEU A 141 -10.208 4.581 14.123 1.00 73.13 C ATOM 0 H LEU A 141 -10.059 5.822 9.253 1.00 3.33 H new ATOM 0 HA LEU A 141 -12.144 6.688 11.161 1.00 43.11 H new ATOM 0 HB2 LEU A 141 -10.390 4.656 11.402 1.00 41.14 H new ATOM 0 HB3 LEU A 141 -9.362 5.954 11.976 1.00 41.14 H new ATOM 0 HG LEU A 141 -11.023 6.510 13.718 1.00 50.14 H new ATOM 0 HD11 LEU A 141 -12.893 4.965 14.149 1.00 25.12 H new ATOM 0 HD12 LEU A 141 -13.045 5.757 12.563 1.00 25.12 H new ATOM 0 HD13 LEU A 141 -12.490 4.069 12.665 1.00 25.12 H new ATOM 0 HD21 LEU A 141 -10.667 4.507 15.109 1.00 73.13 H new ATOM 0 HD22 LEU A 141 -10.178 3.594 13.662 1.00 73.13 H new ATOM 0 HD23 LEU A 141 -9.193 4.966 14.223 1.00 73.13 H new ATOM 1531 N MET A 142 -11.094 8.860 11.817 1.00 21.22 N ATOM 1532 CA MET A 142 -10.597 10.215 12.023 1.00 45.42 C ATOM 1533 C MET A 142 -11.041 10.757 13.378 1.00 14.00 C ATOM 1534 O MET A 142 -12.051 10.337 13.941 1.00 40.33 O ATOM 1535 CB MET A 142 -11.091 11.138 10.906 1.00 55.41 C ATOM 1536 CG MET A 142 -12.602 11.140 10.744 1.00 63.05 C ATOM 1537 SD MET A 142 -13.407 12.389 11.766 1.00 1.22 S ATOM 1538 CE MET A 142 -15.132 11.994 11.485 1.00 24.11 C ATOM 0 H MET A 142 -11.948 8.642 12.330 1.00 21.22 H new ATOM 0 HA MET A 142 -9.508 10.182 12.003 1.00 45.42 H new ATOM 0 HB2 MET A 142 -10.754 12.154 11.110 1.00 55.41 H new ATOM 0 HB3 MET A 142 -10.633 10.833 9.965 1.00 55.41 H new ATOM 0 HG2 MET A 142 -12.851 11.316 9.698 1.00 63.05 H new ATOM 0 HG3 MET A 142 -12.993 10.156 11.004 1.00 63.05 H new ATOM 0 HE1 MET A 142 -15.760 12.682 12.052 1.00 24.11 H new ATOM 0 HE2 MET A 142 -15.358 12.087 10.423 1.00 24.11 H new ATOM 0 HE3 MET A 142 -15.329 10.972 11.809 1.00 24.11 H new ATOM 1546 N PRO A 143 -10.267 11.712 13.917 1.00 11.42 N ATOM 1547 CA PRO A 143 -10.561 12.330 15.213 1.00 62.32 C ATOM 1548 C PRO A 143 -11.797 13.223 15.162 1.00 73.24 C ATOM 1549 O PRO A 143 -11.938 14.055 14.265 1.00 20.51 O ATOM 1550 CB PRO A 143 -9.310 13.165 15.499 1.00 54.24 C ATOM 1551 CG PRO A 143 -8.735 13.458 14.155 1.00 12.13 C ATOM 1552 CD PRO A 143 -9.046 12.261 13.302 1.00 2.52 C ATOM 0 HA PRO A 143 -10.779 11.586 15.980 1.00 62.32 H new ATOM 0 HB2 PRO A 143 -9.560 14.083 16.031 1.00 54.24 H new ATOM 0 HB3 PRO A 143 -8.602 12.618 16.122 1.00 54.24 H new ATOM 0 HG2 PRO A 143 -9.172 14.363 13.732 1.00 12.13 H new ATOM 0 HG3 PRO A 143 -7.659 13.623 14.218 1.00 12.13 H new ATOM 0 HD2 PRO A 143 -9.211 12.541 12.262 1.00 2.52 H new ATOM 0 HD3 PRO A 143 -8.231 11.538 13.312 1.00 2.52 H new ATOM 1557 N HIS A 144 -12.689 13.045 16.130 1.00 4.21 N ATOM 1558 CA HIS A 144 -13.913 13.835 16.196 1.00 21.23 C ATOM 1559 C HIS A 144 -13.595 15.327 16.244 1.00 33.10 C ATOM 1560 O HIS A 144 -12.594 15.739 16.828 1.00 23.41 O ATOM 1561 CB HIS A 144 -14.736 13.438 17.422 1.00 31.21 C ATOM 1562 CG HIS A 144 -13.970 13.513 18.708 1.00 1.51 C ATOM 1563 ND1 HIS A 144 -13.954 14.635 19.509 1.00 13.25 N ATOM 1564 CD2 HIS A 144 -13.194 12.595 19.330 1.00 63.43 C ATOM 1565 CE1 HIS A 144 -13.198 14.405 20.568 1.00 63.02 C ATOM 1566 NE2 HIS A 144 -12.726 13.174 20.484 1.00 71.23 N ATOM 0 H HIS A 144 -12.588 12.361 16.880 1.00 4.21 H new ATOM 0 HA HIS A 144 -14.495 13.634 15.296 1.00 21.23 H new ATOM 0 HB2 HIS A 144 -15.608 14.088 17.490 1.00 31.21 H new ATOM 0 HB3 HIS A 144 -15.106 12.421 17.288 1.00 31.21 H new ATOM 0 HD2 HIS A 144 -12.982 11.594 18.984 1.00 63.43 H new ATOM 0 HE1 HIS A 144 -13.000 15.105 21.367 1.00 63.02 H new ATOM 0 HE2 HIS A 144 -12.113 12.726 21.166 1.00 71.23 H new ATOM 1930 N THR A 169 -15.964 12.632 7.147 1.00 42.01 N ATOM 1931 CA THR A 169 -15.756 11.561 6.180 1.00 25.21 C ATOM 1932 C THR A 169 -17.038 10.769 5.952 1.00 64.12 C ATOM 1933 O THR A 169 -17.793 10.506 6.888 1.00 63.35 O ATOM 1934 CB THR A 169 -14.646 10.596 6.641 1.00 65.53 C ATOM 1935 OG1 THR A 169 -14.319 9.687 5.584 1.00 64.43 O ATOM 1936 CG2 THR A 169 -15.083 9.817 7.871 1.00 23.01 C ATOM 0 HA THR A 169 -15.453 12.034 5.246 1.00 25.21 H new ATOM 0 HB THR A 169 -13.766 11.185 6.899 1.00 65.53 H new ATOM 0 HG1 THR A 169 -13.374 9.789 5.345 1.00 64.43 H new ATOM 0 HG21 THR A 169 -14.283 9.143 8.178 1.00 23.01 H new ATOM 0 HG22 THR A 169 -15.303 10.511 8.682 1.00 23.01 H new ATOM 0 HG23 THR A 169 -15.976 9.238 7.637 1.00 23.01 H new ATOM 1944 N GLY A 170 -17.280 10.391 4.701 1.00 62.24 N ATOM 1945 CA GLY A 170 -18.473 9.632 4.372 1.00 74.03 C ATOM 1946 C GLY A 170 -18.521 8.293 5.079 1.00 11.33 C ATOM 1947 O GLY A 170 -17.649 7.958 5.881 1.00 13.00 O ATOM 0 H GLY A 170 -16.671 10.597 3.909 1.00 62.24 H new ATOM 0 HA2 GLY A 170 -19.355 10.213 4.641 1.00 74.03 H new ATOM 0 HA3 GLY A 170 -18.513 9.472 3.295 1.00 74.03 H new ATOM 1951 N PRO A 171 -19.561 7.499 4.784 1.00 43.01 N ATOM 1952 CA PRO A 171 -19.746 6.176 5.387 1.00 31.53 C ATOM 1953 C PRO A 171 -18.712 5.167 4.898 1.00 71.41 C ATOM 1954 O PRO A 171 -17.751 5.528 4.219 1.00 64.32 O ATOM 1955 CB PRO A 171 -21.148 5.770 4.930 1.00 44.21 C ATOM 1956 CG PRO A 171 -21.371 6.532 3.669 1.00 13.14 C ATOM 1957 CD PRO A 171 -20.639 7.834 3.837 1.00 54.53 C ATOM 0 HA PRO A 171 -19.628 6.202 6.470 1.00 31.53 H new ATOM 0 HB2 PRO A 171 -21.213 4.695 4.760 1.00 44.21 H new ATOM 0 HB3 PRO A 171 -21.897 6.020 5.681 1.00 44.21 H new ATOM 0 HG2 PRO A 171 -20.994 5.980 2.808 1.00 13.14 H new ATOM 0 HG3 PRO A 171 -22.434 6.701 3.498 1.00 13.14 H new ATOM 0 HD2 PRO A 171 -20.243 8.197 2.889 1.00 54.53 H new ATOM 0 HD3 PRO A 171 -21.291 8.614 4.230 1.00 54.53 H new ATOM 1962 N ALA A 172 -18.917 3.901 5.248 1.00 31.41 N ATOM 1963 CA ALA A 172 -18.003 2.841 4.842 1.00 11.24 C ATOM 1964 C ALA A 172 -18.500 2.142 3.581 1.00 53.40 C ATOM 1965 O ALA A 172 -19.680 2.218 3.240 1.00 65.33 O ATOM 1966 CB ALA A 172 -17.828 1.834 5.970 1.00 24.52 C ATOM 0 H ALA A 172 -19.707 3.585 5.811 1.00 31.41 H new ATOM 0 HA ALA A 172 -17.037 3.294 4.620 1.00 11.24 H new ATOM 0 HB1 ALA A 172 -17.143 1.048 5.653 1.00 24.52 H new ATOM 0 HB2 ALA A 172 -17.422 2.337 6.847 1.00 24.52 H new ATOM 0 HB3 ALA A 172 -18.794 1.395 6.219 1.00 24.52 H new ATOM 1972 N VAL A 173 -17.592 1.459 2.892 1.00 75.33 N ATOM 1973 CA VAL A 173 -17.937 0.746 1.667 1.00 65.10 C ATOM 1974 C VAL A 173 -17.677 -0.749 1.810 1.00 23.10 C ATOM 1975 O VAL A 173 -16.576 -1.165 2.167 1.00 14.21 O ATOM 1976 CB VAL A 173 -17.141 1.282 0.462 1.00 31.05 C ATOM 1977 CG1 VAL A 173 -17.651 0.664 -0.831 1.00 11.14 C ATOM 1978 CG2 VAL A 173 -17.220 2.800 0.404 1.00 13.43 C ATOM 0 H VAL A 173 -16.611 1.384 3.161 1.00 75.33 H new ATOM 0 HA VAL A 173 -19.000 0.912 1.493 1.00 65.10 H new ATOM 0 HB VAL A 173 -16.095 1.000 0.585 1.00 31.05 H new ATOM 0 HG11 VAL A 173 -17.077 1.054 -1.672 1.00 11.14 H new ATOM 0 HG12 VAL A 173 -17.538 -0.419 -0.786 1.00 11.14 H new ATOM 0 HG13 VAL A 173 -18.704 0.914 -0.963 1.00 11.14 H new ATOM 0 HG21 VAL A 173 -16.652 3.161 -0.453 1.00 13.43 H new ATOM 0 HG22 VAL A 173 -18.261 3.107 0.305 1.00 13.43 H new ATOM 0 HG23 VAL A 173 -16.803 3.221 1.319 1.00 13.43 H new ATOM 1988 N GLU A 174 -18.700 -1.551 1.529 1.00 34.15 N ATOM 1989 CA GLU A 174 -18.582 -3.002 1.628 1.00 72.44 C ATOM 1990 C GLU A 174 -18.653 -3.648 0.247 1.00 24.30 C ATOM 1991 O GLU A 174 -19.398 -3.198 -0.623 1.00 3.55 O ATOM 1992 CB GLU A 174 -19.685 -3.566 2.525 1.00 63.43 C ATOM 1993 CG GLU A 174 -21.030 -2.885 2.337 1.00 32.21 C ATOM 1994 CD GLU A 174 -21.630 -3.147 0.969 1.00 41.13 C ATOM 1995 OE1 GLU A 174 -22.003 -4.307 0.698 1.00 5.24 O ATOM 1996 OE2 GLU A 174 -21.725 -2.192 0.170 1.00 10.41 O ATOM 0 H GLU A 174 -19.618 -1.221 1.231 1.00 34.15 H new ATOM 0 HA GLU A 174 -17.613 -3.233 2.069 1.00 72.44 H new ATOM 0 HB2 GLU A 174 -19.796 -4.632 2.324 1.00 63.43 H new ATOM 0 HB3 GLU A 174 -19.380 -3.468 3.567 1.00 63.43 H new ATOM 0 HG2 GLU A 174 -21.720 -3.234 3.105 1.00 32.21 H new ATOM 0 HG3 GLU A 174 -20.912 -1.811 2.478 1.00 32.21 H new ATOM 2001 N VAL A 175 -17.871 -4.705 0.054 1.00 34.22 N ATOM 2002 CA VAL A 175 -17.845 -5.414 -1.219 1.00 51.12 C ATOM 2003 C VAL A 175 -17.442 -6.873 -1.028 1.00 64.20 C ATOM 2004 O VAL A 175 -16.520 -7.179 -0.273 1.00 73.41 O ATOM 2005 CB VAL A 175 -16.871 -4.750 -2.212 1.00 4.42 C ATOM 2006 CG1 VAL A 175 -15.432 -4.938 -1.756 1.00 44.30 C ATOM 2007 CG2 VAL A 175 -17.074 -5.312 -3.611 1.00 71.35 C ATOM 0 H VAL A 175 -17.247 -5.089 0.763 1.00 34.22 H new ATOM 0 HA VAL A 175 -18.855 -5.369 -1.627 1.00 51.12 H new ATOM 0 HB VAL A 175 -17.080 -3.681 -2.240 1.00 4.42 H new ATOM 0 HG11 VAL A 175 -14.759 -4.463 -2.470 1.00 44.30 H new ATOM 0 HG12 VAL A 175 -15.299 -4.484 -0.774 1.00 44.30 H new ATOM 0 HG13 VAL A 175 -15.205 -6.002 -1.697 1.00 44.30 H new ATOM 0 HG21 VAL A 175 -16.379 -4.833 -4.300 1.00 71.35 H new ATOM 0 HG22 VAL A 175 -16.892 -6.387 -3.601 1.00 71.35 H new ATOM 0 HG23 VAL A 175 -18.097 -5.120 -3.935 1.00 71.35 H new ATOM 2017 N ASP A 176 -18.140 -7.768 -1.718 1.00 41.10 N ATOM 2018 CA ASP A 176 -17.855 -9.195 -1.626 1.00 55.51 C ATOM 2019 C ASP A 176 -16.469 -9.509 -2.181 1.00 62.32 C ATOM 2020 O ASP A 176 -16.143 -9.142 -3.311 1.00 0.03 O ATOM 2021 CB ASP A 176 -18.914 -9.998 -2.381 1.00 0.52 C ATOM 2022 CG ASP A 176 -20.161 -10.235 -1.552 1.00 41.35 C ATOM 2023 OD1 ASP A 176 -20.637 -9.276 -0.910 1.00 63.15 O ATOM 2024 OD2 ASP A 176 -20.661 -11.380 -1.545 1.00 42.42 O ATOM 0 H ASP A 176 -18.907 -7.531 -2.347 1.00 41.10 H new ATOM 0 HA ASP A 176 -17.878 -9.478 -0.574 1.00 55.51 H new ATOM 0 HB2 ASP A 176 -19.184 -9.469 -3.295 1.00 0.52 H new ATOM 0 HB3 ASP A 176 -18.493 -10.958 -2.681 1.00 0.52 H new ATOM 2028 N VAL A 177 -15.656 -10.190 -1.379 1.00 75.34 N ATOM 2029 CA VAL A 177 -14.305 -10.554 -1.790 1.00 62.52 C ATOM 2030 C VAL A 177 -14.312 -11.249 -3.147 1.00 74.44 C ATOM 2031 O VAL A 177 -13.348 -11.158 -3.909 1.00 22.24 O ATOM 2032 CB VAL A 177 -13.633 -11.476 -0.756 1.00 11.44 C ATOM 2033 CG1 VAL A 177 -14.291 -12.847 -0.756 1.00 4.22 C ATOM 2034 CG2 VAL A 177 -12.142 -11.592 -1.036 1.00 5.05 C ATOM 0 H VAL A 177 -15.910 -10.501 -0.441 1.00 75.34 H new ATOM 0 HA VAL A 177 -13.736 -9.627 -1.863 1.00 62.52 H new ATOM 0 HB VAL A 177 -13.761 -11.038 0.234 1.00 11.44 H new ATOM 0 HG11 VAL A 177 -13.803 -13.485 -0.019 1.00 4.22 H new ATOM 0 HG12 VAL A 177 -15.347 -12.744 -0.504 1.00 4.22 H new ATOM 0 HG13 VAL A 177 -14.196 -13.296 -1.745 1.00 4.22 H new ATOM 0 HG21 VAL A 177 -11.683 -12.247 -0.296 1.00 5.05 H new ATOM 0 HG22 VAL A 177 -11.990 -12.007 -2.032 1.00 5.05 H new ATOM 0 HG23 VAL A 177 -11.684 -10.605 -0.981 1.00 5.05 H new ATOM 2044 N LYS A 178 -15.404 -11.943 -3.445 1.00 3.41 N ATOM 2045 CA LYS A 178 -15.539 -12.654 -4.711 1.00 61.11 C ATOM 2046 C LYS A 178 -16.031 -11.718 -5.810 1.00 2.32 C ATOM 2047 O LYS A 178 -15.634 -11.842 -6.969 1.00 34.31 O ATOM 2048 CB LYS A 178 -16.505 -13.831 -4.558 1.00 42.01 C ATOM 2049 CG LYS A 178 -17.855 -13.439 -3.984 1.00 5.42 C ATOM 2050 CD LYS A 178 -18.827 -14.608 -3.994 1.00 73.51 C ATOM 2051 CE LYS A 178 -19.159 -15.043 -5.413 1.00 53.33 C ATOM 2052 NZ LYS A 178 -20.433 -15.813 -5.472 1.00 42.11 N ATOM 0 H LYS A 178 -16.210 -12.029 -2.826 1.00 3.41 H new ATOM 0 HA LYS A 178 -14.557 -13.033 -4.993 1.00 61.11 H new ATOM 0 HB2 LYS A 178 -16.655 -14.296 -5.532 1.00 42.01 H new ATOM 0 HB3 LYS A 178 -16.050 -14.582 -3.913 1.00 42.01 H new ATOM 0 HG2 LYS A 178 -17.727 -13.080 -2.963 1.00 5.42 H new ATOM 0 HG3 LYS A 178 -18.271 -12.614 -4.562 1.00 5.42 H new ATOM 0 HD2 LYS A 178 -18.396 -15.446 -3.447 1.00 73.51 H new ATOM 0 HD3 LYS A 178 -19.743 -14.326 -3.475 1.00 73.51 H new ATOM 0 HE2 LYS A 178 -19.235 -14.165 -6.054 1.00 53.33 H new ATOM 0 HE3 LYS A 178 -18.346 -15.654 -5.805 1.00 53.33 H new ATOM 0 HZ1 LYS A 178 -20.625 -16.092 -6.455 1.00 42.11 H new ATOM 0 HZ2 LYS A 178 -20.352 -16.664 -4.880 1.00 42.11 H new ATOM 0 HZ3 LYS A 178 -21.213 -15.221 -5.121 1.00 42.11 H new ATOM 2062 N ASP A 179 -16.897 -10.781 -5.440 1.00 4.14 N ATOM 2063 CA ASP A 179 -17.441 -9.822 -6.393 1.00 45.12 C ATOM 2064 C ASP A 179 -16.332 -8.968 -6.998 1.00 43.34 C ATOM 2065 O ASP A 179 -16.224 -8.848 -8.219 1.00 51.03 O ATOM 2066 CB ASP A 179 -18.479 -8.927 -5.714 1.00 71.41 C ATOM 2067 CG ASP A 179 -19.139 -7.966 -6.684 1.00 75.41 C ATOM 2068 OD1 ASP A 179 -18.920 -8.112 -7.905 1.00 72.14 O ATOM 2069 OD2 ASP A 179 -19.874 -7.069 -6.222 1.00 51.50 O ATOM 0 H ASP A 179 -17.237 -10.665 -4.485 1.00 4.14 H new ATOM 0 HA ASP A 179 -17.924 -10.380 -7.195 1.00 45.12 H new ATOM 0 HB2 ASP A 179 -19.243 -9.550 -5.248 1.00 71.41 H new ATOM 0 HB3 ASP A 179 -17.999 -8.361 -4.916 1.00 71.41 H new ATOM 2073 N ILE A 180 -15.512 -8.376 -6.138 1.00 1.23 N ATOM 2074 CA ILE A 180 -14.411 -7.533 -6.588 1.00 43.11 C ATOM 2075 C ILE A 180 -13.576 -8.240 -7.650 1.00 4.42 C ATOM 2076 O ILE A 180 -12.839 -9.185 -7.368 1.00 11.45 O ATOM 2077 CB ILE A 180 -13.496 -7.129 -5.417 1.00 4.32 C ATOM 2078 CG1 ILE A 180 -13.221 -8.335 -4.516 1.00 25.14 C ATOM 2079 CG2 ILE A 180 -14.126 -5.997 -4.619 1.00 22.44 C ATOM 2080 CD1 ILE A 180 -11.913 -8.241 -3.763 1.00 60.11 C ATOM 0 H ILE A 180 -15.589 -8.464 -5.125 1.00 1.23 H new ATOM 0 HA ILE A 180 -14.856 -6.635 -7.017 1.00 43.11 H new ATOM 0 HB ILE A 180 -12.547 -6.778 -5.821 1.00 4.32 H new ATOM 0 HG12 ILE A 180 -14.037 -8.437 -3.800 1.00 25.14 H new ATOM 0 HG13 ILE A 180 -13.216 -9.239 -5.125 1.00 25.14 H new ATOM 0 HG21 ILE A 180 -13.468 -5.723 -3.795 1.00 22.44 H new ATOM 0 HG22 ILE A 180 -14.275 -5.134 -5.268 1.00 22.44 H new ATOM 0 HG23 ILE A 180 -15.088 -6.323 -4.222 1.00 22.44 H new ATOM 0 HD11 ILE A 180 -11.784 -9.130 -3.145 1.00 60.11 H new ATOM 0 HD12 ILE A 180 -11.089 -8.170 -4.473 1.00 60.11 H new ATOM 0 HD13 ILE A 180 -11.922 -7.355 -3.128 1.00 60.11 H new