USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.119 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.05) USER MOD Single : A 29 SER OG : rot 64:sc= 1.2 USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.873) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -125:sc= -3.45! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.8!) USER MOD Single : A 50 SER OG : rot -46:sc= 1.3 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 56 SER OG : rot -94:sc= 0.202 USER MOD Single : A 57 LYS NZ :NH3+ -146:sc= -1.4! (180deg=-2.46!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= 3 (180deg=2.76) USER MOD Single : A 68 SER OG : rot -156:sc= 1.32 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.76 (180deg=0.684) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -0.0489 (180deg=-0.231) USER MOD Single : A 78 THR OG1 : rot -6:sc= 0.0826 USER MOD Single : A 80 SER OG : rot 80:sc= 0.879 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.2) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 91 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.475 -5.749 -11.090 1.00 33.35 N ATOM 2 CA ALA A 1 1.826 -6.153 -11.541 1.00 3.15 C ATOM 3 C ALA A 1 2.574 -4.950 -12.105 1.00 21.21 C ATOM 4 O ALA A 1 1.980 -3.892 -12.329 1.00 4.40 O ATOM 5 CB ALA A 1 1.732 -7.261 -12.583 1.00 52.11 C ATOM 0 H1 ALA A 1 0.436 -5.769 -10.051 1.00 33.35 H new ATOM 0 H2 ALA A 1 0.270 -4.786 -11.426 1.00 33.35 H new ATOM 0 H3 ALA A 1 -0.231 -6.408 -11.476 1.00 33.35 H new ATOM 0 HA ALA A 1 2.380 -6.536 -10.684 1.00 3.15 H new ATOM 0 HB1 ALA A 1 2.734 -7.545 -12.903 1.00 52.11 H new ATOM 0 HB2 ALA A 1 1.230 -8.126 -12.150 1.00 52.11 H new ATOM 0 HB3 ALA A 1 1.164 -6.905 -13.442 1.00 52.11 H new ATOM 13 N GLY A 2 3.872 -5.103 -12.312 1.00 65.24 N ATOM 14 CA GLY A 2 4.675 -4.017 -12.830 1.00 63.21 C ATOM 15 C GLY A 2 6.089 -4.059 -12.298 1.00 1.25 C ATOM 16 O GLY A 2 6.325 -3.806 -11.117 1.00 70.12 O ATOM 0 H GLY A 2 4.386 -5.965 -12.129 1.00 65.24 H new ATOM 0 HA2 GLY A 2 4.695 -4.067 -13.919 1.00 63.21 H new ATOM 0 HA3 GLY A 2 4.215 -3.066 -12.563 1.00 63.21 H new ATOM 20 N GLU A 3 7.030 -4.408 -13.159 1.00 44.14 N ATOM 21 CA GLU A 3 8.426 -4.493 -12.764 1.00 51.12 C ATOM 22 C GLU A 3 8.987 -3.109 -12.454 1.00 34.12 C ATOM 23 O GLU A 3 8.710 -2.137 -13.157 1.00 4.45 O ATOM 24 CB GLU A 3 9.247 -5.162 -13.864 1.00 44.15 C ATOM 25 CG GLU A 3 10.709 -5.357 -13.503 1.00 22.54 C ATOM 26 CD GLU A 3 11.447 -6.211 -14.509 1.00 60.34 C ATOM 27 OE1 GLU A 3 11.681 -5.738 -15.638 1.00 20.33 O ATOM 28 OE2 GLU A 3 11.809 -7.358 -14.167 1.00 52.41 O ATOM 0 H GLU A 3 6.853 -4.637 -14.137 1.00 44.14 H new ATOM 0 HA GLU A 3 8.489 -5.098 -11.860 1.00 51.12 H new ATOM 0 HB2 GLU A 3 8.807 -6.132 -14.095 1.00 44.15 H new ATOM 0 HB3 GLU A 3 9.183 -4.559 -14.770 1.00 44.15 H new ATOM 0 HG2 GLU A 3 11.195 -4.384 -13.432 1.00 22.54 H new ATOM 0 HG3 GLU A 3 10.778 -5.820 -12.519 1.00 22.54 H new ATOM 35 N ILE A 4 9.760 -3.033 -11.384 1.00 61.24 N ATOM 36 CA ILE A 4 10.375 -1.804 -10.948 1.00 41.31 C ATOM 37 C ILE A 4 11.834 -2.046 -10.575 1.00 63.10 C ATOM 38 O ILE A 4 12.228 -3.184 -10.298 1.00 71.10 O ATOM 39 CB ILE A 4 9.634 -1.229 -9.736 1.00 2.13 C ATOM 40 CG1 ILE A 4 9.032 -2.354 -8.888 1.00 50.44 C ATOM 41 CG2 ILE A 4 8.569 -0.234 -10.174 1.00 25.12 C ATOM 42 CD1 ILE A 4 8.299 -1.870 -7.654 1.00 12.33 C ATOM 0 H ILE A 4 9.977 -3.835 -10.792 1.00 61.24 H new ATOM 0 HA ILE A 4 10.323 -1.091 -11.770 1.00 41.31 H new ATOM 0 HB ILE A 4 10.352 -0.692 -9.117 1.00 2.13 H new ATOM 0 HG12 ILE A 4 8.343 -2.931 -9.505 1.00 50.44 H new ATOM 0 HG13 ILE A 4 9.829 -3.031 -8.582 1.00 50.44 H new ATOM 0 HG21 ILE A 4 8.057 0.160 -9.296 1.00 25.12 H new ATOM 0 HG22 ILE A 4 9.038 0.585 -10.719 1.00 25.12 H new ATOM 0 HG23 ILE A 4 7.848 -0.734 -10.821 1.00 25.12 H new ATOM 0 HD11 ILE A 4 7.902 -2.726 -7.108 1.00 12.33 H new ATOM 0 HD12 ILE A 4 8.988 -1.319 -7.014 1.00 12.33 H new ATOM 0 HD13 ILE A 4 7.478 -1.217 -7.951 1.00 12.33 H new ATOM 54 N GLY A 5 12.619 -0.978 -10.546 1.00 34.43 N ATOM 55 CA GLY A 5 14.035 -1.092 -10.247 1.00 2.43 C ATOM 56 C GLY A 5 14.320 -1.083 -8.763 1.00 51.33 C ATOM 57 O GLY A 5 15.022 -0.207 -8.256 1.00 51.34 O ATOM 0 H GLY A 5 12.298 -0.027 -10.726 1.00 34.43 H new ATOM 0 HA2 GLY A 5 14.421 -2.014 -10.681 1.00 2.43 H new ATOM 0 HA3 GLY A 5 14.570 -0.269 -10.721 1.00 2.43 H new ATOM 61 N PHE A 6 13.759 -2.050 -8.072 1.00 1.35 N ATOM 62 CA PHE A 6 13.982 -2.209 -6.642 1.00 41.55 C ATOM 63 C PHE A 6 14.698 -3.523 -6.363 1.00 74.23 C ATOM 64 O PHE A 6 14.934 -4.313 -7.279 1.00 74.31 O ATOM 65 CB PHE A 6 12.654 -2.165 -5.878 1.00 34.12 C ATOM 66 CG PHE A 6 12.026 -0.800 -5.820 1.00 50.00 C ATOM 67 CD1 PHE A 6 11.284 -0.314 -6.883 1.00 44.33 C ATOM 68 CD2 PHE A 6 12.177 -0.005 -4.695 1.00 20.54 C ATOM 69 CE1 PHE A 6 10.703 0.938 -6.827 1.00 30.53 C ATOM 70 CE2 PHE A 6 11.599 1.247 -4.633 1.00 33.03 C ATOM 71 CZ PHE A 6 10.862 1.720 -5.702 1.00 42.14 C ATOM 0 H PHE A 6 13.137 -2.749 -8.478 1.00 1.35 H new ATOM 0 HA PHE A 6 14.607 -1.384 -6.300 1.00 41.55 H new ATOM 0 HB2 PHE A 6 11.954 -2.856 -6.347 1.00 34.12 H new ATOM 0 HB3 PHE A 6 12.820 -2.521 -4.861 1.00 34.12 H new ATOM 0 HD1 PHE A 6 11.158 -0.921 -7.767 1.00 44.33 H new ATOM 0 HD2 PHE A 6 12.753 -0.369 -3.857 1.00 20.54 H new ATOM 0 HE1 PHE A 6 10.125 1.304 -7.663 1.00 30.53 H new ATOM 0 HE2 PHE A 6 11.723 1.856 -3.750 1.00 33.03 H new ATOM 0 HZ PHE A 6 10.411 2.700 -5.657 1.00 42.14 H new ATOM 81 N ILE A 7 15.042 -3.748 -5.100 1.00 3.33 N ATOM 82 CA ILE A 7 15.717 -4.976 -4.694 1.00 35.23 C ATOM 83 C ILE A 7 14.776 -6.169 -4.826 1.00 31.32 C ATOM 84 O ILE A 7 15.125 -7.190 -5.421 1.00 42.04 O ATOM 85 CB ILE A 7 16.227 -4.884 -3.238 1.00 25.42 C ATOM 86 CG1 ILE A 7 17.175 -3.691 -3.083 1.00 71.34 C ATOM 87 CG2 ILE A 7 16.921 -6.178 -2.828 1.00 61.45 C ATOM 88 CD1 ILE A 7 17.651 -3.467 -1.664 1.00 25.21 C ATOM 0 H ILE A 7 14.864 -3.094 -4.337 1.00 3.33 H new ATOM 0 HA ILE A 7 16.574 -5.112 -5.354 1.00 35.23 H new ATOM 0 HB ILE A 7 15.371 -4.735 -2.580 1.00 25.42 H new ATOM 0 HG12 ILE A 7 18.041 -3.842 -3.727 1.00 71.34 H new ATOM 0 HG13 ILE A 7 16.670 -2.790 -3.433 1.00 71.34 H new ATOM 0 HG21 ILE A 7 17.273 -6.092 -1.800 1.00 61.45 H new ATOM 0 HG22 ILE A 7 16.218 -7.008 -2.903 1.00 61.45 H new ATOM 0 HG23 ILE A 7 17.769 -6.361 -3.487 1.00 61.45 H new ATOM 0 HD11 ILE A 7 18.318 -2.605 -1.636 1.00 25.21 H new ATOM 0 HD12 ILE A 7 16.793 -3.283 -1.017 1.00 25.21 H new ATOM 0 HD13 ILE A 7 18.185 -4.351 -1.316 1.00 25.21 H new ATOM 100 N ILE A 8 13.581 -6.032 -4.267 1.00 73.33 N ATOM 101 CA ILE A 8 12.574 -7.072 -4.366 1.00 74.22 C ATOM 102 C ILE A 8 11.872 -7.008 -5.715 1.00 1.13 C ATOM 103 O ILE A 8 11.273 -5.994 -6.088 1.00 23.12 O ATOM 104 CB ILE A 8 11.541 -6.975 -3.224 1.00 11.12 C ATOM 105 CG1 ILE A 8 12.238 -7.185 -1.878 1.00 32.44 C ATOM 106 CG2 ILE A 8 10.436 -8.005 -3.412 1.00 73.23 C ATOM 107 CD1 ILE A 8 11.314 -7.069 -0.684 1.00 31.30 C ATOM 0 H ILE A 8 13.288 -5.209 -3.741 1.00 73.33 H new ATOM 0 HA ILE A 8 13.084 -8.031 -4.275 1.00 74.22 H new ATOM 0 HB ILE A 8 11.089 -5.983 -3.242 1.00 11.12 H new ATOM 0 HG12 ILE A 8 12.703 -8.171 -1.871 1.00 32.44 H new ATOM 0 HG13 ILE A 8 13.040 -6.453 -1.777 1.00 32.44 H new ATOM 0 HG21 ILE A 8 9.717 -7.921 -2.597 1.00 73.23 H new ATOM 0 HG22 ILE A 8 9.930 -7.827 -4.361 1.00 73.23 H new ATOM 0 HG23 ILE A 8 10.868 -9.006 -3.413 1.00 73.23 H new ATOM 0 HD11 ILE A 8 11.882 -7.230 0.232 1.00 31.30 H new ATOM 0 HD12 ILE A 8 10.868 -6.075 -0.664 1.00 31.30 H new ATOM 0 HD13 ILE A 8 10.526 -7.819 -0.759 1.00 31.30 H new ATOM 119 N LYS A 9 11.975 -8.099 -6.444 1.00 21.34 N ATOM 120 CA LYS A 9 11.402 -8.212 -7.769 1.00 32.44 C ATOM 121 C LYS A 9 10.017 -8.841 -7.686 1.00 53.41 C ATOM 122 O LYS A 9 9.532 -9.123 -6.592 1.00 44.54 O ATOM 123 CB LYS A 9 12.346 -9.031 -8.646 1.00 63.44 C ATOM 124 CG LYS A 9 13.739 -8.422 -8.717 1.00 63.12 C ATOM 125 CD LYS A 9 14.742 -9.346 -9.382 1.00 13.45 C ATOM 126 CE LYS A 9 16.151 -8.781 -9.280 1.00 40.45 C ATOM 127 NZ LYS A 9 17.168 -9.718 -9.818 1.00 34.00 N ATOM 0 H LYS A 9 12.462 -8.939 -6.132 1.00 21.34 H new ATOM 0 HA LYS A 9 11.283 -7.225 -8.216 1.00 32.44 H new ATOM 0 HB2 LYS A 9 12.415 -10.046 -8.254 1.00 63.44 H new ATOM 0 HB3 LYS A 9 11.932 -9.105 -9.652 1.00 63.44 H new ATOM 0 HG2 LYS A 9 13.694 -7.483 -9.268 1.00 63.12 H new ATOM 0 HG3 LYS A 9 14.080 -8.185 -7.709 1.00 63.12 H new ATOM 0 HD2 LYS A 9 14.705 -10.329 -8.912 1.00 13.45 H new ATOM 0 HD3 LYS A 9 14.476 -9.484 -10.430 1.00 13.45 H new ATOM 0 HE2 LYS A 9 16.203 -7.838 -9.824 1.00 40.45 H new ATOM 0 HE3 LYS A 9 16.378 -8.560 -8.237 1.00 40.45 H new ATOM 0 HZ1 LYS A 9 18.113 -9.293 -9.729 1.00 34.00 H new ATOM 0 HZ2 LYS A 9 17.137 -10.609 -9.282 1.00 34.00 H new ATOM 0 HZ3 LYS A 9 16.968 -9.909 -10.820 1.00 34.00 H new ATOM 141 N GLU A 10 9.378 -9.046 -8.829 1.00 21.02 N ATOM 142 CA GLU A 10 8.016 -9.536 -8.852 1.00 20.34 C ATOM 143 C GLU A 10 7.939 -11.012 -8.489 1.00 71.03 C ATOM 144 O GLU A 10 8.944 -11.723 -8.506 1.00 13.22 O ATOM 145 CB GLU A 10 7.413 -9.309 -10.230 1.00 3.53 C ATOM 146 CG GLU A 10 7.284 -7.845 -10.609 1.00 30.24 C ATOM 147 CD GLU A 10 6.377 -7.641 -11.799 1.00 23.40 C ATOM 148 OE1 GLU A 10 6.835 -7.836 -12.944 1.00 73.50 O ATOM 149 OE2 GLU A 10 5.195 -7.299 -11.591 1.00 1.11 O ATOM 0 H GLU A 10 9.784 -8.879 -9.750 1.00 21.02 H new ATOM 0 HA GLU A 10 7.449 -8.982 -8.104 1.00 20.34 H new ATOM 0 HB2 GLU A 10 8.029 -9.814 -10.974 1.00 3.53 H new ATOM 0 HB3 GLU A 10 6.427 -9.772 -10.266 1.00 3.53 H new ATOM 0 HG2 GLU A 10 6.896 -7.284 -9.759 1.00 30.24 H new ATOM 0 HG3 GLU A 10 8.271 -7.441 -10.834 1.00 30.24 H new ATOM 156 N GLY A 11 6.735 -11.464 -8.171 1.00 62.44 N ATOM 157 CA GLY A 11 6.523 -12.842 -7.799 1.00 1.10 C ATOM 158 C GLY A 11 5.062 -13.109 -7.515 1.00 62.33 C ATOM 159 O GLY A 11 4.289 -12.174 -7.295 1.00 3.34 O ATOM 0 H GLY A 11 5.892 -10.890 -8.165 1.00 62.44 H new ATOM 0 HA2 GLY A 11 6.866 -13.496 -8.601 1.00 1.10 H new ATOM 0 HA3 GLY A 11 7.118 -13.080 -6.917 1.00 1.10 H new ATOM 163 N ASP A 12 4.678 -14.373 -7.505 1.00 3.02 N ATOM 164 CA ASP A 12 3.286 -14.749 -7.281 1.00 13.13 C ATOM 165 C ASP A 12 2.882 -14.461 -5.837 1.00 41.52 C ATOM 166 O ASP A 12 1.697 -14.381 -5.514 1.00 61.52 O ATOM 167 CB ASP A 12 3.070 -16.227 -7.606 1.00 71.34 C ATOM 168 CG ASP A 12 1.611 -16.574 -7.811 1.00 14.03 C ATOM 169 OD1 ASP A 12 0.997 -16.052 -8.767 1.00 22.42 O ATOM 170 OD2 ASP A 12 1.075 -17.380 -7.024 1.00 14.40 O ATOM 0 H ASP A 12 5.309 -15.161 -7.649 1.00 3.02 H new ATOM 0 HA ASP A 12 2.659 -14.153 -7.944 1.00 13.13 H new ATOM 0 HB2 ASP A 12 3.630 -16.482 -8.506 1.00 71.34 H new ATOM 0 HB3 ASP A 12 3.473 -16.835 -6.796 1.00 71.34 H new ATOM 175 N GLU A 13 3.877 -14.293 -4.978 1.00 35.01 N ATOM 176 CA GLU A 13 3.642 -13.933 -3.585 1.00 15.23 C ATOM 177 C GLU A 13 4.207 -12.546 -3.288 1.00 33.14 C ATOM 178 O GLU A 13 4.280 -12.128 -2.138 1.00 31.03 O ATOM 179 CB GLU A 13 4.266 -14.960 -2.632 1.00 53.41 C ATOM 180 CG GLU A 13 5.783 -15.063 -2.718 1.00 54.30 C ATOM 181 CD GLU A 13 6.259 -15.719 -3.995 1.00 32.52 C ATOM 182 OE1 GLU A 13 6.317 -16.965 -4.032 1.00 61.43 O ATOM 183 OE2 GLU A 13 6.561 -14.997 -4.965 1.00 63.24 O ATOM 0 H GLU A 13 4.861 -14.401 -5.222 1.00 35.01 H new ATOM 0 HA GLU A 13 2.564 -13.924 -3.425 1.00 15.23 H new ATOM 0 HB2 GLU A 13 3.990 -14.703 -1.610 1.00 53.41 H new ATOM 0 HB3 GLU A 13 3.836 -15.939 -2.842 1.00 53.41 H new ATOM 0 HG2 GLU A 13 6.214 -14.064 -2.646 1.00 54.30 H new ATOM 0 HG3 GLU A 13 6.152 -15.632 -1.864 1.00 54.30 H new ATOM 190 N VAL A 14 4.610 -11.838 -4.329 1.00 11.33 N ATOM 191 CA VAL A 14 5.163 -10.501 -4.165 1.00 61.20 C ATOM 192 C VAL A 14 4.198 -9.450 -4.705 1.00 43.12 C ATOM 193 O VAL A 14 3.782 -9.515 -5.860 1.00 2.30 O ATOM 194 CB VAL A 14 6.521 -10.356 -4.882 1.00 53.35 C ATOM 195 CG1 VAL A 14 7.119 -8.987 -4.611 1.00 73.03 C ATOM 196 CG2 VAL A 14 7.481 -11.455 -4.451 1.00 51.11 C ATOM 0 H VAL A 14 4.566 -12.164 -5.295 1.00 11.33 H new ATOM 0 HA VAL A 14 5.314 -10.346 -3.097 1.00 61.20 H new ATOM 0 HB VAL A 14 6.354 -10.455 -5.955 1.00 53.35 H new ATOM 0 HG11 VAL A 14 8.077 -8.900 -5.124 1.00 73.03 H new ATOM 0 HG12 VAL A 14 6.441 -8.215 -4.976 1.00 73.03 H new ATOM 0 HG13 VAL A 14 7.269 -8.861 -3.539 1.00 73.03 H new ATOM 0 HG21 VAL A 14 8.432 -11.332 -4.970 1.00 51.11 H new ATOM 0 HG22 VAL A 14 7.644 -11.394 -3.375 1.00 51.11 H new ATOM 0 HG23 VAL A 14 7.056 -12.427 -4.699 1.00 51.11 H new ATOM 206 N ALA A 15 3.838 -8.489 -3.866 1.00 72.24 N ATOM 207 CA ALA A 15 2.911 -7.442 -4.267 1.00 24.22 C ATOM 208 C ALA A 15 3.465 -6.064 -3.935 1.00 52.43 C ATOM 209 O ALA A 15 3.856 -5.797 -2.800 1.00 53.33 O ATOM 210 CB ALA A 15 1.563 -7.640 -3.596 1.00 21.21 C ATOM 0 H ALA A 15 4.173 -8.413 -2.906 1.00 72.24 H new ATOM 0 HA ALA A 15 2.780 -7.506 -5.347 1.00 24.22 H new ATOM 0 HB1 ALA A 15 0.882 -6.848 -3.907 1.00 21.21 H new ATOM 0 HB2 ALA A 15 1.151 -8.607 -3.885 1.00 21.21 H new ATOM 0 HB3 ALA A 15 1.687 -7.607 -2.514 1.00 21.21 H new ATOM 216 N ASP A 16 3.514 -5.199 -4.934 1.00 5.24 N ATOM 217 CA ASP A 16 3.942 -3.830 -4.730 1.00 14.04 C ATOM 218 C ASP A 16 2.745 -2.905 -4.681 1.00 60.25 C ATOM 219 O ASP A 16 1.740 -3.131 -5.354 1.00 64.33 O ATOM 220 CB ASP A 16 4.896 -3.382 -5.835 1.00 2.35 C ATOM 221 CG ASP A 16 4.309 -3.548 -7.220 1.00 33.45 C ATOM 222 OD1 ASP A 16 3.624 -2.624 -7.701 1.00 13.21 O ATOM 223 OD2 ASP A 16 4.528 -4.614 -7.829 1.00 52.22 O ATOM 0 H ASP A 16 3.261 -5.424 -5.896 1.00 5.24 H new ATOM 0 HA ASP A 16 4.470 -3.784 -3.778 1.00 14.04 H new ATOM 0 HB2 ASP A 16 5.159 -2.336 -5.680 1.00 2.35 H new ATOM 0 HB3 ASP A 16 5.820 -3.956 -5.766 1.00 2.35 H new ATOM 228 N VAL A 17 2.846 -1.886 -3.855 1.00 52.53 N ATOM 229 CA VAL A 17 1.809 -0.880 -3.750 1.00 13.32 C ATOM 230 C VAL A 17 2.404 0.492 -3.978 1.00 55.43 C ATOM 231 O VAL A 17 3.445 0.839 -3.414 1.00 42.41 O ATOM 232 CB VAL A 17 1.116 -0.893 -2.371 1.00 40.41 C ATOM 233 CG1 VAL A 17 -0.135 -0.025 -2.386 1.00 14.34 C ATOM 234 CG2 VAL A 17 0.783 -2.311 -1.930 1.00 20.54 C ATOM 0 H VAL A 17 3.645 -1.731 -3.240 1.00 52.53 H new ATOM 0 HA VAL A 17 1.062 -1.111 -4.509 1.00 13.32 H new ATOM 0 HB VAL A 17 1.815 -0.476 -1.646 1.00 40.41 H new ATOM 0 HG11 VAL A 17 -0.607 -0.049 -1.404 1.00 14.34 H new ATOM 0 HG12 VAL A 17 0.137 1.001 -2.632 1.00 14.34 H new ATOM 0 HG13 VAL A 17 -0.832 -0.405 -3.133 1.00 14.34 H new ATOM 0 HG21 VAL A 17 0.296 -2.284 -0.955 1.00 20.54 H new ATOM 0 HG22 VAL A 17 0.114 -2.771 -2.657 1.00 20.54 H new ATOM 0 HG23 VAL A 17 1.700 -2.896 -1.861 1.00 20.54 H new ATOM 244 N THR A 18 1.746 1.258 -4.812 1.00 13.22 N ATOM 245 CA THR A 18 2.151 2.619 -5.068 1.00 54.14 C ATOM 246 C THR A 18 1.181 3.559 -4.368 1.00 13.10 C ATOM 247 O THR A 18 0.019 3.677 -4.759 1.00 32.52 O ATOM 248 CB THR A 18 2.182 2.911 -6.578 1.00 12.32 C ATOM 249 OG1 THR A 18 3.017 1.947 -7.245 1.00 11.42 O ATOM 250 CG2 THR A 18 2.705 4.317 -6.852 1.00 14.30 C ATOM 0 H THR A 18 0.920 0.959 -5.330 1.00 13.22 H new ATOM 0 HA THR A 18 3.159 2.771 -4.682 1.00 54.14 H new ATOM 0 HB THR A 18 1.163 2.841 -6.960 1.00 12.32 H new ATOM 0 HG1 THR A 18 3.032 2.137 -8.206 1.00 11.42 H new ATOM 0 HG21 THR A 18 2.717 4.498 -7.927 1.00 14.30 H new ATOM 0 HG22 THR A 18 2.056 5.047 -6.368 1.00 14.30 H new ATOM 0 HG23 THR A 18 3.716 4.412 -6.457 1.00 14.30 H new ATOM 258 N ILE A 19 1.658 4.211 -3.324 1.00 31.45 N ATOM 259 CA ILE A 19 0.800 5.022 -2.483 1.00 55.24 C ATOM 260 C ILE A 19 0.915 6.486 -2.865 1.00 74.30 C ATOM 261 O ILE A 19 1.997 6.964 -3.206 1.00 41.32 O ATOM 262 CB ILE A 19 1.156 4.856 -0.992 1.00 63.12 C ATOM 263 CG1 ILE A 19 1.258 3.369 -0.631 1.00 5.02 C ATOM 264 CG2 ILE A 19 0.115 5.544 -0.121 1.00 10.00 C ATOM 265 CD1 ILE A 19 1.698 3.119 0.795 1.00 53.33 C ATOM 0 H ILE A 19 2.637 4.194 -3.038 1.00 31.45 H new ATOM 0 HA ILE A 19 -0.224 4.683 -2.637 1.00 55.24 H new ATOM 0 HB ILE A 19 2.124 5.323 -0.810 1.00 63.12 H new ATOM 0 HG12 ILE A 19 0.288 2.898 -0.791 1.00 5.02 H new ATOM 0 HG13 ILE A 19 1.962 2.887 -1.309 1.00 5.02 H new ATOM 0 HG21 ILE A 19 0.379 5.419 0.929 1.00 10.00 H new ATOM 0 HG22 ILE A 19 0.083 6.606 -0.363 1.00 10.00 H new ATOM 0 HG23 ILE A 19 -0.864 5.100 -0.305 1.00 10.00 H new ATOM 0 HD11 ILE A 19 1.747 2.046 0.978 1.00 53.33 H new ATOM 0 HD12 ILE A 19 2.682 3.560 0.955 1.00 53.33 H new ATOM 0 HD13 ILE A 19 0.982 3.571 1.481 1.00 53.33 H new ATOM 277 N PHE A 20 -0.203 7.187 -2.806 1.00 23.12 N ATOM 278 CA PHE A 20 -0.244 8.594 -3.155 1.00 62.24 C ATOM 279 C PHE A 20 -0.755 9.409 -1.978 1.00 4.14 C ATOM 280 O PHE A 20 -1.660 8.980 -1.261 1.00 42.34 O ATOM 281 CB PHE A 20 -1.160 8.830 -4.357 1.00 31.45 C ATOM 282 CG PHE A 20 -0.854 7.973 -5.552 1.00 44.33 C ATOM 283 CD1 PHE A 20 0.130 8.341 -6.451 1.00 55.40 C ATOM 284 CD2 PHE A 20 -1.559 6.803 -5.774 1.00 64.04 C ATOM 285 CE1 PHE A 20 0.408 7.555 -7.551 1.00 42.44 C ATOM 286 CE2 PHE A 20 -1.285 6.012 -6.872 1.00 71.23 C ATOM 287 CZ PHE A 20 -0.300 6.389 -7.763 1.00 71.42 C ATOM 0 H PHE A 20 -1.101 6.800 -2.517 1.00 23.12 H new ATOM 0 HA PHE A 20 0.768 8.906 -3.411 1.00 62.24 H new ATOM 0 HB2 PHE A 20 -2.191 8.651 -4.052 1.00 31.45 H new ATOM 0 HB3 PHE A 20 -1.091 9.878 -4.650 1.00 31.45 H new ATOM 0 HD1 PHE A 20 0.687 9.253 -6.291 1.00 55.40 H new ATOM 0 HD2 PHE A 20 -2.332 6.505 -5.081 1.00 64.04 H new ATOM 0 HE1 PHE A 20 1.179 7.852 -8.246 1.00 42.44 H new ATOM 0 HE2 PHE A 20 -1.840 5.100 -7.034 1.00 71.23 H new ATOM 0 HZ PHE A 20 -0.084 5.773 -8.624 1.00 71.42 H new ATOM 297 N ALA A 21 -0.162 10.568 -1.774 1.00 45.55 N ATOM 298 CA ALA A 21 -0.644 11.514 -0.779 1.00 61.30 C ATOM 299 C ALA A 21 -0.347 12.933 -1.228 1.00 60.02 C ATOM 300 O ALA A 21 0.409 13.137 -2.179 1.00 64.33 O ATOM 301 CB ALA A 21 -0.021 11.241 0.578 1.00 43.23 C ATOM 0 H ALA A 21 0.662 10.882 -2.287 1.00 45.55 H new ATOM 0 HA ALA A 21 -1.723 11.393 -0.680 1.00 61.30 H new ATOM 0 HB1 ALA A 21 -0.398 11.962 1.303 1.00 43.23 H new ATOM 0 HB2 ALA A 21 -0.280 10.233 0.901 1.00 43.23 H new ATOM 0 HB3 ALA A 21 1.063 11.332 0.506 1.00 43.23 H new ATOM 307 N GLU A 22 -0.938 13.910 -0.554 1.00 55.31 N ATOM 308 CA GLU A 22 -0.775 15.303 -0.947 1.00 73.35 C ATOM 309 C GLU A 22 0.614 15.815 -0.576 1.00 2.30 C ATOM 310 O GLU A 22 1.241 16.540 -1.347 1.00 3.03 O ATOM 311 CB GLU A 22 -1.851 16.185 -0.302 1.00 54.20 C ATOM 312 CG GLU A 22 -3.265 15.630 -0.420 1.00 0.54 C ATOM 313 CD GLU A 22 -3.590 15.076 -1.798 1.00 70.05 C ATOM 314 OE1 GLU A 22 -3.195 15.688 -2.812 1.00 0.33 O ATOM 315 OE2 GLU A 22 -4.233 14.006 -1.862 1.00 25.41 O ATOM 0 H GLU A 22 -1.531 13.765 0.263 1.00 55.31 H new ATOM 0 HA GLU A 22 -0.887 15.356 -2.030 1.00 73.35 H new ATOM 0 HB2 GLU A 22 -1.612 16.318 0.753 1.00 54.20 H new ATOM 0 HB3 GLU A 22 -1.820 17.172 -0.763 1.00 54.20 H new ATOM 0 HG2 GLU A 22 -3.399 14.841 0.320 1.00 0.54 H new ATOM 0 HG3 GLU A 22 -3.977 16.419 -0.178 1.00 0.54 H new ATOM 322 N THR A 23 1.088 15.429 0.600 1.00 24.24 N ATOM 323 CA THR A 23 2.404 15.843 1.069 1.00 5.50 C ATOM 324 C THR A 23 3.198 14.642 1.581 1.00 51.33 C ATOM 325 O THR A 23 2.648 13.544 1.727 1.00 3.54 O ATOM 326 CB THR A 23 2.293 16.899 2.188 1.00 23.21 C ATOM 327 OG1 THR A 23 1.428 16.425 3.228 1.00 3.12 O ATOM 328 CG2 THR A 23 1.764 18.220 1.648 1.00 0.33 C ATOM 0 H THR A 23 0.580 14.828 1.249 1.00 24.24 H new ATOM 0 HA THR A 23 2.927 16.286 0.221 1.00 5.50 H new ATOM 0 HB THR A 23 3.292 17.066 2.591 1.00 23.21 H new ATOM 0 HG1 THR A 23 1.365 17.101 3.935 1.00 3.12 H new ATOM 0 HG21 THR A 23 1.697 18.944 2.460 1.00 0.33 H new ATOM 0 HG22 THR A 23 2.441 18.597 0.881 1.00 0.33 H new ATOM 0 HG23 THR A 23 0.775 18.067 1.216 1.00 0.33 H new ATOM 336 N LYS A 24 4.483 14.853 1.858 1.00 30.04 N ATOM 337 CA LYS A 24 5.353 13.777 2.326 1.00 72.22 C ATOM 338 C LYS A 24 4.865 13.223 3.659 1.00 51.54 C ATOM 339 O LYS A 24 4.842 12.012 3.861 1.00 3.55 O ATOM 340 CB LYS A 24 6.795 14.266 2.468 1.00 11.25 C ATOM 341 CG LYS A 24 7.793 13.143 2.736 1.00 70.32 C ATOM 342 CD LYS A 24 9.227 13.650 2.759 1.00 65.32 C ATOM 343 CE LYS A 24 9.522 14.487 3.993 1.00 53.31 C ATOM 344 NZ LYS A 24 9.563 13.666 5.233 1.00 13.01 N ATOM 0 H LYS A 24 4.944 15.758 1.767 1.00 30.04 H new ATOM 0 HA LYS A 24 5.322 12.981 1.582 1.00 72.22 H new ATOM 0 HB2 LYS A 24 7.085 14.789 1.557 1.00 11.25 H new ATOM 0 HB3 LYS A 24 6.847 14.990 3.281 1.00 11.25 H new ATOM 0 HG2 LYS A 24 7.560 12.671 3.690 1.00 70.32 H new ATOM 0 HG3 LYS A 24 7.692 12.376 1.968 1.00 70.32 H new ATOM 0 HD2 LYS A 24 9.911 12.802 2.726 1.00 65.32 H new ATOM 0 HD3 LYS A 24 9.414 14.245 1.865 1.00 65.32 H new ATOM 0 HE2 LYS A 24 10.477 14.996 3.865 1.00 53.31 H new ATOM 0 HE3 LYS A 24 8.760 15.260 4.096 1.00 53.31 H new ATOM 0 HZ1 LYS A 24 9.931 14.241 6.018 1.00 13.01 H new ATOM 0 HZ2 LYS A 24 8.603 13.338 5.464 1.00 13.01 H new ATOM 0 HZ3 LYS A 24 10.183 12.844 5.085 1.00 13.01 H new ATOM 358 N ASP A 25 4.475 14.115 4.557 1.00 31.42 N ATOM 359 CA ASP A 25 3.963 13.715 5.870 1.00 64.15 C ATOM 360 C ASP A 25 2.774 12.767 5.735 1.00 2.52 C ATOM 361 O ASP A 25 2.725 11.716 6.379 1.00 13.20 O ATOM 362 CB ASP A 25 3.546 14.945 6.675 1.00 70.43 C ATOM 363 CG ASP A 25 2.871 14.581 7.983 1.00 71.44 C ATOM 364 OD1 ASP A 25 3.578 14.347 8.984 1.00 23.31 O ATOM 365 OD2 ASP A 25 1.626 14.535 8.019 1.00 1.14 O ATOM 0 H ASP A 25 4.501 15.123 4.405 1.00 31.42 H new ATOM 0 HA ASP A 25 4.765 13.193 6.393 1.00 64.15 H new ATOM 0 HB2 ASP A 25 4.425 15.556 6.881 1.00 70.43 H new ATOM 0 HB3 ASP A 25 2.868 15.554 6.077 1.00 70.43 H new ATOM 370 N ALA A 26 1.820 13.141 4.891 1.00 75.24 N ATOM 371 CA ALA A 26 0.654 12.300 4.636 1.00 31.23 C ATOM 372 C ALA A 26 1.077 10.970 4.024 1.00 31.20 C ATOM 373 O ALA A 26 0.538 9.920 4.367 1.00 20.41 O ATOM 374 CB ALA A 26 -0.326 13.015 3.721 1.00 44.14 C ATOM 0 H ALA A 26 1.829 14.019 4.372 1.00 75.24 H new ATOM 0 HA ALA A 26 0.160 12.101 5.587 1.00 31.23 H new ATOM 0 HB1 ALA A 26 -1.189 12.374 3.541 1.00 44.14 H new ATOM 0 HB2 ALA A 26 -0.654 13.942 4.192 1.00 44.14 H new ATOM 0 HB3 ALA A 26 0.161 13.242 2.773 1.00 44.14 H new ATOM 380 N LEU A 27 2.052 11.031 3.126 1.00 42.13 N ATOM 381 CA LEU A 27 2.600 9.856 2.482 1.00 13.21 C ATOM 382 C LEU A 27 3.175 8.904 3.526 1.00 0.10 C ATOM 383 O LEU A 27 2.866 7.712 3.546 1.00 42.34 O ATOM 384 CB LEU A 27 3.698 10.300 1.522 1.00 55.51 C ATOM 385 CG LEU A 27 3.909 9.400 0.319 1.00 61.05 C ATOM 386 CD1 LEU A 27 2.785 9.569 -0.686 1.00 74.12 C ATOM 387 CD2 LEU A 27 5.257 9.674 -0.327 1.00 13.41 C ATOM 0 H LEU A 27 2.484 11.905 2.826 1.00 42.13 H new ATOM 0 HA LEU A 27 1.815 9.333 1.936 1.00 13.21 H new ATOM 0 HB2 LEU A 27 3.464 11.304 1.168 1.00 55.51 H new ATOM 0 HB3 LEU A 27 4.635 10.367 2.074 1.00 55.51 H new ATOM 0 HG LEU A 27 3.901 8.366 0.663 1.00 61.05 H new ATOM 0 HD11 LEU A 27 2.958 8.914 -1.540 1.00 74.12 H new ATOM 0 HD12 LEU A 27 1.836 9.310 -0.217 1.00 74.12 H new ATOM 0 HD13 LEU A 27 2.752 10.605 -1.025 1.00 74.12 H new ATOM 0 HD21 LEU A 27 5.388 9.018 -1.188 1.00 13.41 H new ATOM 0 HD22 LEU A 27 5.300 10.713 -0.653 1.00 13.41 H new ATOM 0 HD23 LEU A 27 6.051 9.488 0.396 1.00 13.41 H new ATOM 399 N GLU A 28 4.000 9.465 4.403 1.00 23.24 N ATOM 400 CA GLU A 28 4.634 8.725 5.483 1.00 4.35 C ATOM 401 C GLU A 28 3.600 8.123 6.429 1.00 13.31 C ATOM 402 O GLU A 28 3.777 7.011 6.929 1.00 13.00 O ATOM 403 CB GLU A 28 5.572 9.659 6.249 1.00 23.42 C ATOM 404 CG GLU A 28 6.763 10.114 5.428 1.00 10.14 C ATOM 405 CD GLU A 28 7.719 10.997 6.201 1.00 2.32 C ATOM 406 OE1 GLU A 28 7.528 12.229 6.204 1.00 32.54 O ATOM 407 OE2 GLU A 28 8.680 10.460 6.792 1.00 74.35 O ATOM 0 H GLU A 28 4.248 10.454 4.383 1.00 23.24 H new ATOM 0 HA GLU A 28 5.203 7.901 5.053 1.00 4.35 H new ATOM 0 HB2 GLU A 28 5.012 10.533 6.581 1.00 23.42 H new ATOM 0 HB3 GLU A 28 5.929 9.150 7.144 1.00 23.42 H new ATOM 0 HG2 GLU A 28 7.301 9.239 5.064 1.00 10.14 H new ATOM 0 HG3 GLU A 28 6.406 10.656 4.552 1.00 10.14 H new ATOM 414 N SER A 29 2.524 8.859 6.667 1.00 11.32 N ATOM 415 CA SER A 29 1.453 8.390 7.530 1.00 2.41 C ATOM 416 C SER A 29 0.698 7.230 6.881 1.00 32.14 C ATOM 417 O SER A 29 0.413 6.219 7.524 1.00 4.11 O ATOM 418 CB SER A 29 0.494 9.543 7.827 1.00 13.13 C ATOM 419 OG SER A 29 1.186 10.649 8.394 1.00 3.15 O ATOM 0 H SER A 29 2.371 9.787 6.272 1.00 11.32 H new ATOM 0 HA SER A 29 1.888 8.030 8.463 1.00 2.41 H new ATOM 0 HB2 SER A 29 -0.003 9.853 6.908 1.00 13.13 H new ATOM 0 HB3 SER A 29 -0.284 9.206 8.512 1.00 13.13 H new ATOM 0 HG SER A 29 1.824 11.006 7.741 1.00 3.15 H new ATOM 425 N GLU A 30 0.392 7.387 5.601 1.00 11.22 N ATOM 426 CA GLU A 30 -0.315 6.373 4.839 1.00 20.03 C ATOM 427 C GLU A 30 0.508 5.088 4.762 1.00 53.13 C ATOM 428 O GLU A 30 -0.002 3.993 4.995 1.00 43.31 O ATOM 429 CB GLU A 30 -0.585 6.901 3.433 1.00 13.14 C ATOM 430 CG GLU A 30 -1.626 6.109 2.669 1.00 13.51 C ATOM 431 CD GLU A 30 -3.024 6.311 3.208 1.00 62.32 C ATOM 432 OE1 GLU A 30 -3.388 5.645 4.201 1.00 13.11 O ATOM 433 OE2 GLU A 30 -3.765 7.137 2.633 1.00 22.13 O ATOM 0 H GLU A 30 0.628 8.221 5.064 1.00 11.22 H new ATOM 0 HA GLU A 30 -1.258 6.147 5.336 1.00 20.03 H new ATOM 0 HB2 GLU A 30 -0.911 7.939 3.502 1.00 13.14 H new ATOM 0 HB3 GLU A 30 0.347 6.896 2.868 1.00 13.14 H new ATOM 0 HG2 GLU A 30 -1.600 6.401 1.619 1.00 13.51 H new ATOM 0 HG3 GLU A 30 -1.374 5.049 2.712 1.00 13.51 H new ATOM 440 N LEU A 31 1.790 5.245 4.443 1.00 75.21 N ATOM 441 CA LEU A 31 2.719 4.120 4.344 1.00 22.34 C ATOM 442 C LEU A 31 2.693 3.274 5.606 1.00 55.34 C ATOM 443 O LEU A 31 2.537 2.055 5.549 1.00 10.11 O ATOM 444 CB LEU A 31 4.138 4.641 4.131 1.00 44.32 C ATOM 445 CG LEU A 31 5.204 3.563 3.917 1.00 64.13 C ATOM 446 CD1 LEU A 31 4.960 2.804 2.622 1.00 74.45 C ATOM 447 CD2 LEU A 31 6.595 4.180 3.929 1.00 52.33 C ATOM 0 H LEU A 31 2.214 6.152 4.246 1.00 75.21 H new ATOM 0 HA LEU A 31 2.411 3.504 3.500 1.00 22.34 H new ATOM 0 HB2 LEU A 31 4.138 5.305 3.267 1.00 44.32 H new ATOM 0 HB3 LEU A 31 4.421 5.242 4.995 1.00 44.32 H new ATOM 0 HG LEU A 31 5.137 2.850 4.739 1.00 64.13 H new ATOM 0 HD11 LEU A 31 5.731 2.044 2.495 1.00 74.45 H new ATOM 0 HD12 LEU A 31 3.982 2.325 2.660 1.00 74.45 H new ATOM 0 HD13 LEU A 31 4.992 3.498 1.782 1.00 74.45 H new ATOM 0 HD21 LEU A 31 7.340 3.400 3.776 1.00 52.33 H new ATOM 0 HD22 LEU A 31 6.673 4.918 3.131 1.00 52.33 H new ATOM 0 HD23 LEU A 31 6.770 4.665 4.889 1.00 52.33 H new ATOM 459 N ALA A 32 2.845 3.943 6.738 1.00 21.31 N ATOM 460 CA ALA A 32 2.880 3.281 8.040 1.00 35.11 C ATOM 461 C ALA A 32 1.630 2.437 8.278 1.00 10.45 C ATOM 462 O ALA A 32 1.683 1.402 8.949 1.00 25.14 O ATOM 463 CB ALA A 32 3.038 4.314 9.143 1.00 13.24 C ATOM 0 H ALA A 32 2.948 4.957 6.784 1.00 21.31 H new ATOM 0 HA ALA A 32 3.737 2.608 8.051 1.00 35.11 H new ATOM 0 HB1 ALA A 32 3.063 3.812 10.110 1.00 13.24 H new ATOM 0 HB2 ALA A 32 3.967 4.865 8.995 1.00 13.24 H new ATOM 0 HB3 ALA A 32 2.197 5.007 9.116 1.00 13.24 H new ATOM 469 N LYS A 33 0.514 2.878 7.713 1.00 34.23 N ATOM 470 CA LYS A 33 -0.750 2.179 7.863 1.00 43.42 C ATOM 471 C LYS A 33 -0.795 0.916 7.012 1.00 50.22 C ATOM 472 O LYS A 33 -1.290 -0.123 7.454 1.00 50.51 O ATOM 473 CB LYS A 33 -1.908 3.110 7.508 1.00 72.43 C ATOM 474 CG LYS A 33 -2.464 3.843 8.711 1.00 22.03 C ATOM 475 CD LYS A 33 -3.059 2.862 9.699 1.00 2.00 C ATOM 476 CE LYS A 33 -3.448 3.529 11.005 1.00 52.50 C ATOM 477 NZ LYS A 33 -4.133 2.574 11.910 1.00 43.32 N ATOM 0 H LYS A 33 0.461 3.723 7.143 1.00 34.23 H new ATOM 0 HA LYS A 33 -0.847 1.874 8.905 1.00 43.42 H new ATOM 0 HB2 LYS A 33 -1.570 3.837 6.770 1.00 72.43 H new ATOM 0 HB3 LYS A 33 -2.705 2.530 7.042 1.00 72.43 H new ATOM 0 HG2 LYS A 33 -1.673 4.418 9.192 1.00 22.03 H new ATOM 0 HG3 LYS A 33 -3.226 4.554 8.391 1.00 22.03 H new ATOM 0 HD2 LYS A 33 -3.938 2.392 9.257 1.00 2.00 H new ATOM 0 HD3 LYS A 33 -2.339 2.068 9.899 1.00 2.00 H new ATOM 0 HE2 LYS A 33 -2.558 3.924 11.495 1.00 52.50 H new ATOM 0 HE3 LYS A 33 -4.103 4.377 10.803 1.00 52.50 H new ATOM 0 HZ1 LYS A 33 -4.116 2.944 12.882 1.00 43.32 H new ATOM 0 HZ2 LYS A 33 -5.119 2.451 11.603 1.00 43.32 H new ATOM 0 HZ3 LYS A 33 -3.645 1.656 11.880 1.00 43.32 H new ATOM 491 N TYR A 34 -0.266 1.003 5.803 1.00 31.21 N ATOM 492 CA TYR A 34 -0.218 -0.148 4.912 1.00 42.24 C ATOM 493 C TYR A 34 0.787 -1.182 5.412 1.00 55.31 C ATOM 494 O TYR A 34 0.587 -2.386 5.248 1.00 3.15 O ATOM 495 CB TYR A 34 0.117 0.290 3.484 1.00 70.03 C ATOM 496 CG TYR A 34 -1.065 0.893 2.751 1.00 21.42 C ATOM 497 CD1 TYR A 34 -1.362 2.246 2.859 1.00 50.14 C ATOM 498 CD2 TYR A 34 -1.890 0.106 1.956 1.00 61.04 C ATOM 499 CE1 TYR A 34 -2.444 2.795 2.199 1.00 61.24 C ATOM 500 CE2 TYR A 34 -2.974 0.650 1.290 1.00 54.44 C ATOM 501 CZ TYR A 34 -3.246 1.995 1.417 1.00 13.11 C ATOM 502 OH TYR A 34 -4.327 2.542 0.760 1.00 1.35 O ATOM 0 H TYR A 34 0.136 1.856 5.415 1.00 31.21 H new ATOM 0 HA TYR A 34 -1.204 -0.614 4.904 1.00 42.24 H new ATOM 0 HB2 TYR A 34 0.927 1.019 3.515 1.00 70.03 H new ATOM 0 HB3 TYR A 34 0.483 -0.570 2.924 1.00 70.03 H new ATOM 0 HD1 TYR A 34 -0.736 2.880 3.470 1.00 50.14 H new ATOM 0 HD2 TYR A 34 -1.681 -0.949 1.856 1.00 61.04 H new ATOM 0 HE1 TYR A 34 -2.660 3.849 2.296 1.00 61.24 H new ATOM 0 HE2 TYR A 34 -3.603 0.024 0.674 1.00 54.44 H new ATOM 0 HH TYR A 34 -4.788 1.843 0.251 1.00 1.35 H new ATOM 512 N ILE A 35 1.861 -0.710 6.037 1.00 63.42 N ATOM 513 CA ILE A 35 2.840 -1.602 6.647 1.00 54.45 C ATOM 514 C ILE A 35 2.220 -2.319 7.846 1.00 22.01 C ATOM 515 O ILE A 35 2.501 -3.492 8.098 1.00 23.44 O ATOM 516 CB ILE A 35 4.113 -0.842 7.091 1.00 63.32 C ATOM 517 CG1 ILE A 35 4.774 -0.168 5.885 1.00 14.53 C ATOM 518 CG2 ILE A 35 5.097 -1.785 7.773 1.00 71.23 C ATOM 519 CD1 ILE A 35 6.004 0.644 6.237 1.00 13.05 C ATOM 0 H ILE A 35 2.075 0.283 6.134 1.00 63.42 H new ATOM 0 HA ILE A 35 3.134 -2.333 5.894 1.00 54.45 H new ATOM 0 HB ILE A 35 3.821 -0.075 7.809 1.00 63.32 H new ATOM 0 HG12 ILE A 35 5.050 -0.933 5.159 1.00 14.53 H new ATOM 0 HG13 ILE A 35 4.046 0.483 5.400 1.00 14.53 H new ATOM 0 HG21 ILE A 35 5.984 -1.228 8.076 1.00 71.23 H new ATOM 0 HG22 ILE A 35 4.628 -2.227 8.652 1.00 71.23 H new ATOM 0 HG23 ILE A 35 5.384 -2.575 7.079 1.00 71.23 H new ATOM 0 HD11 ILE A 35 6.416 1.090 5.332 1.00 13.05 H new ATOM 0 HD12 ILE A 35 5.731 1.432 6.939 1.00 13.05 H new ATOM 0 HD13 ILE A 35 6.751 -0.006 6.694 1.00 13.05 H new ATOM 531 N GLU A 36 1.359 -1.610 8.570 1.00 61.21 N ATOM 532 CA GLU A 36 0.643 -2.175 9.689 1.00 71.21 C ATOM 533 C GLU A 36 -0.255 -3.315 9.223 1.00 65.42 C ATOM 534 O GLU A 36 -0.263 -4.398 9.815 1.00 12.14 O ATOM 535 CB GLU A 36 -0.175 -1.073 10.368 1.00 50.33 C ATOM 536 CG GLU A 36 -1.043 -1.574 11.492 1.00 53.24 C ATOM 537 CD GLU A 36 -1.816 -0.466 12.182 1.00 24.44 C ATOM 538 OE1 GLU A 36 -2.565 0.263 11.498 1.00 73.54 O ATOM 539 OE2 GLU A 36 -1.678 -0.316 13.414 1.00 54.11 O ATOM 0 H GLU A 36 1.144 -0.629 8.391 1.00 61.21 H new ATOM 0 HA GLU A 36 1.351 -2.585 10.409 1.00 71.21 H new ATOM 0 HB2 GLU A 36 0.504 -0.314 10.755 1.00 50.33 H new ATOM 0 HB3 GLU A 36 -0.804 -0.587 9.622 1.00 50.33 H new ATOM 0 HG2 GLU A 36 -1.745 -2.311 11.101 1.00 53.24 H new ATOM 0 HG3 GLU A 36 -0.419 -2.086 12.225 1.00 53.24 H new ATOM 546 N LEU A 37 -0.988 -3.069 8.145 1.00 2.33 N ATOM 547 CA LEU A 37 -1.845 -4.077 7.540 1.00 2.23 C ATOM 548 C LEU A 37 -1.018 -5.300 7.137 1.00 24.30 C ATOM 549 O LEU A 37 -1.455 -6.440 7.292 1.00 61.15 O ATOM 550 CB LEU A 37 -2.544 -3.477 6.316 1.00 0.23 C ATOM 551 CG LEU A 37 -3.962 -3.981 6.036 1.00 10.23 C ATOM 552 CD1 LEU A 37 -4.597 -3.171 4.917 1.00 23.21 C ATOM 553 CD2 LEU A 37 -3.965 -5.460 5.680 1.00 4.03 C ATOM 0 H LEU A 37 -1.005 -2.168 7.668 1.00 2.33 H new ATOM 0 HA LEU A 37 -2.597 -4.396 8.262 1.00 2.23 H new ATOM 0 HB2 LEU A 37 -2.583 -2.395 6.439 1.00 0.23 H new ATOM 0 HB3 LEU A 37 -1.929 -3.676 5.438 1.00 0.23 H new ATOM 0 HG LEU A 37 -4.548 -3.854 6.946 1.00 10.23 H new ATOM 0 HD11 LEU A 37 -5.605 -3.540 4.728 1.00 23.21 H new ATOM 0 HD12 LEU A 37 -4.643 -2.122 5.208 1.00 23.21 H new ATOM 0 HD13 LEU A 37 -3.999 -3.270 4.011 1.00 23.21 H new ATOM 0 HD21 LEU A 37 -4.987 -5.786 5.487 1.00 4.03 H new ATOM 0 HD22 LEU A 37 -3.359 -5.621 4.789 1.00 4.03 H new ATOM 0 HD23 LEU A 37 -3.551 -6.035 6.509 1.00 4.03 H new ATOM 565 N ALA A 38 0.192 -5.051 6.648 1.00 41.30 N ATOM 566 CA ALA A 38 1.064 -6.118 6.174 1.00 61.11 C ATOM 567 C ALA A 38 1.519 -7.014 7.323 1.00 71.40 C ATOM 568 O ALA A 38 1.445 -8.239 7.229 1.00 33.22 O ATOM 569 CB ALA A 38 2.267 -5.536 5.444 1.00 10.14 C ATOM 0 H ALA A 38 0.592 -4.116 6.570 1.00 41.30 H new ATOM 0 HA ALA A 38 0.494 -6.732 5.477 1.00 61.11 H new ATOM 0 HB1 ALA A 38 2.908 -6.346 5.096 1.00 10.14 H new ATOM 0 HB2 ALA A 38 1.926 -4.951 4.590 1.00 10.14 H new ATOM 0 HB3 ALA A 38 2.829 -4.894 6.123 1.00 10.14 H new ATOM 575 N LYS A 39 1.967 -6.400 8.413 1.00 60.21 N ATOM 576 CA LYS A 39 2.448 -7.148 9.568 1.00 53.24 C ATOM 577 C LYS A 39 1.303 -7.870 10.276 1.00 35.03 C ATOM 578 O LYS A 39 1.515 -8.864 10.973 1.00 12.40 O ATOM 579 CB LYS A 39 3.179 -6.215 10.536 1.00 4.25 C ATOM 580 CG LYS A 39 4.519 -5.731 10.000 1.00 61.14 C ATOM 581 CD LYS A 39 5.260 -4.867 11.009 1.00 44.10 C ATOM 582 CE LYS A 39 4.583 -3.520 11.211 1.00 54.15 C ATOM 583 NZ LYS A 39 5.369 -2.638 12.114 1.00 0.00 N ATOM 0 H LYS A 39 2.007 -5.386 8.520 1.00 60.21 H new ATOM 0 HA LYS A 39 3.148 -7.905 9.215 1.00 53.24 H new ATOM 0 HB2 LYS A 39 2.546 -5.353 10.748 1.00 4.25 H new ATOM 0 HB3 LYS A 39 3.338 -6.734 11.481 1.00 4.25 H new ATOM 0 HG2 LYS A 39 5.136 -6.590 9.737 1.00 61.14 H new ATOM 0 HG3 LYS A 39 4.359 -5.162 9.084 1.00 61.14 H new ATOM 0 HD2 LYS A 39 5.316 -5.391 11.963 1.00 44.10 H new ATOM 0 HD3 LYS A 39 6.284 -4.711 10.670 1.00 44.10 H new ATOM 0 HE2 LYS A 39 4.453 -3.030 10.246 1.00 54.15 H new ATOM 0 HE3 LYS A 39 3.587 -3.672 11.627 1.00 54.15 H new ATOM 0 HZ1 LYS A 39 4.876 -1.729 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.471 -3.095 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.310 -2.472 11.704 1.00 0.00 H new ATOM 597 N SER A 40 0.088 -7.375 10.078 1.00 3.43 N ATOM 598 CA SER A 40 -1.101 -8.004 10.635 1.00 52.51 C ATOM 599 C SER A 40 -1.388 -9.328 9.919 1.00 42.35 C ATOM 600 O SER A 40 -2.042 -10.217 10.467 1.00 71.34 O ATOM 601 CB SER A 40 -2.297 -7.051 10.514 1.00 10.03 C ATOM 602 OG SER A 40 -3.456 -7.578 11.139 1.00 64.02 O ATOM 0 H SER A 40 -0.100 -6.534 9.532 1.00 3.43 H new ATOM 0 HA SER A 40 -0.930 -8.219 11.690 1.00 52.51 H new ATOM 0 HB2 SER A 40 -2.045 -6.092 10.966 1.00 10.03 H new ATOM 0 HB3 SER A 40 -2.506 -6.862 9.461 1.00 10.03 H new ATOM 0 HG SER A 40 -4.197 -6.943 11.043 1.00 64.02 H new ATOM 608 N VAL A 41 -0.892 -9.457 8.694 1.00 12.21 N ATOM 609 CA VAL A 41 -1.078 -10.676 7.915 1.00 13.14 C ATOM 610 C VAL A 41 0.164 -11.562 8.004 1.00 15.32 C ATOM 611 O VAL A 41 0.070 -12.776 8.205 1.00 51.30 O ATOM 612 CB VAL A 41 -1.375 -10.354 6.431 1.00 44.42 C ATOM 613 CG1 VAL A 41 -1.603 -11.631 5.636 1.00 1.03 C ATOM 614 CG2 VAL A 41 -2.579 -9.429 6.307 1.00 52.12 C ATOM 0 H VAL A 41 -0.357 -8.731 8.218 1.00 12.21 H new ATOM 0 HA VAL A 41 -1.933 -11.206 8.334 1.00 13.14 H new ATOM 0 HB VAL A 41 -0.505 -9.842 6.018 1.00 44.42 H new ATOM 0 HG11 VAL A 41 -1.810 -11.380 4.596 1.00 1.03 H new ATOM 0 HG12 VAL A 41 -0.711 -12.256 5.688 1.00 1.03 H new ATOM 0 HG13 VAL A 41 -2.451 -12.173 6.054 1.00 1.03 H new ATOM 0 HG21 VAL A 41 -2.768 -9.217 5.255 1.00 52.12 H new ATOM 0 HG22 VAL A 41 -3.454 -9.911 6.743 1.00 52.12 H new ATOM 0 HG23 VAL A 41 -2.377 -8.497 6.834 1.00 52.12 H new ATOM 624 N CYS A 42 1.326 -10.947 7.865 1.00 23.34 N ATOM 625 CA CYS A 42 2.581 -11.662 7.888 1.00 61.03 C ATOM 626 C CYS A 42 3.626 -10.887 8.679 1.00 3.53 C ATOM 627 O CYS A 42 3.880 -9.715 8.409 1.00 24.42 O ATOM 628 CB CYS A 42 3.056 -11.881 6.458 1.00 4.21 C ATOM 629 SG CYS A 42 2.955 -10.397 5.433 1.00 4.41 S ATOM 0 H CYS A 42 1.421 -9.940 7.734 1.00 23.34 H new ATOM 0 HA CYS A 42 2.436 -12.626 8.376 1.00 61.03 H new ATOM 0 HB2 CYS A 42 4.088 -12.232 6.476 1.00 4.21 H new ATOM 0 HB3 CYS A 42 2.459 -12.670 6.001 1.00 4.21 H new ATOM 0 HG CYS A 42 2.261 -10.654 4.364 1.00 4.41 H new ATOM 635 N ALA A 43 4.222 -11.544 9.659 1.00 60.01 N ATOM 636 CA ALA A 43 5.260 -10.926 10.469 1.00 64.42 C ATOM 637 C ALA A 43 6.619 -11.091 9.802 1.00 42.34 C ATOM 638 O ALA A 43 7.537 -10.301 10.022 1.00 25.24 O ATOM 639 CB ALA A 43 5.273 -11.530 11.864 1.00 65.31 C ATOM 0 H ALA A 43 4.005 -12.507 9.914 1.00 60.01 H new ATOM 0 HA ALA A 43 5.046 -9.861 10.557 1.00 64.42 H new ATOM 0 HB1 ALA A 43 6.055 -11.057 12.458 1.00 65.31 H new ATOM 0 HB2 ALA A 43 4.306 -11.366 12.340 1.00 65.31 H new ATOM 0 HB3 ALA A 43 5.467 -12.600 11.795 1.00 65.31 H new ATOM 645 N GLY A 44 6.735 -12.117 8.973 1.00 12.15 N ATOM 646 CA GLY A 44 7.970 -12.366 8.262 1.00 61.13 C ATOM 647 C GLY A 44 7.893 -11.894 6.827 1.00 3.14 C ATOM 648 O GLY A 44 8.200 -12.639 5.897 1.00 41.32 O ATOM 0 H GLY A 44 5.990 -12.786 8.779 1.00 12.15 H new ATOM 0 HA2 GLY A 44 8.791 -11.858 8.769 1.00 61.13 H new ATOM 0 HA3 GLY A 44 8.194 -13.433 8.283 1.00 61.13 H new ATOM 652 N VAL A 45 7.453 -10.662 6.646 1.00 71.05 N ATOM 653 CA VAL A 45 7.350 -10.079 5.324 1.00 71.02 C ATOM 654 C VAL A 45 8.551 -9.169 5.043 1.00 14.15 C ATOM 655 O VAL A 45 8.952 -8.372 5.895 1.00 73.42 O ATOM 656 CB VAL A 45 6.034 -9.275 5.183 1.00 11.23 C ATOM 657 CG1 VAL A 45 5.979 -8.115 6.170 1.00 51.51 C ATOM 658 CG2 VAL A 45 5.853 -8.777 3.757 1.00 64.32 C ATOM 0 H VAL A 45 7.160 -10.044 7.403 1.00 71.05 H new ATOM 0 HA VAL A 45 7.344 -10.890 4.596 1.00 71.02 H new ATOM 0 HB VAL A 45 5.211 -9.950 5.418 1.00 11.23 H new ATOM 0 HG11 VAL A 45 5.042 -7.573 6.043 1.00 51.51 H new ATOM 0 HG12 VAL A 45 6.040 -8.500 7.188 1.00 51.51 H new ATOM 0 HG13 VAL A 45 6.816 -7.441 5.986 1.00 51.51 H new ATOM 0 HG21 VAL A 45 4.922 -8.215 3.683 1.00 64.32 H new ATOM 0 HG22 VAL A 45 6.689 -8.131 3.488 1.00 64.32 H new ATOM 0 HG23 VAL A 45 5.819 -9.628 3.076 1.00 64.32 H new ATOM 668 N GLU A 46 9.145 -9.306 3.866 1.00 1.21 N ATOM 669 CA GLU A 46 10.193 -8.388 3.443 1.00 60.31 C ATOM 670 C GLU A 46 9.595 -7.322 2.541 1.00 24.51 C ATOM 671 O GLU A 46 8.792 -7.629 1.664 1.00 25.32 O ATOM 672 CB GLU A 46 11.325 -9.102 2.698 1.00 33.22 C ATOM 673 CG GLU A 46 12.222 -9.963 3.574 1.00 32.42 C ATOM 674 CD GLU A 46 11.561 -11.246 4.023 1.00 45.11 C ATOM 675 OE1 GLU A 46 11.105 -12.017 3.155 1.00 63.21 O ATOM 676 OE2 GLU A 46 11.500 -11.488 5.246 1.00 62.51 O ATOM 0 H GLU A 46 8.922 -10.038 3.192 1.00 1.21 H new ATOM 0 HA GLU A 46 10.619 -7.939 4.341 1.00 60.31 H new ATOM 0 HB2 GLU A 46 10.890 -9.730 1.920 1.00 33.22 H new ATOM 0 HB3 GLU A 46 11.940 -8.354 2.197 1.00 33.22 H new ATOM 0 HG2 GLU A 46 13.132 -10.204 3.025 1.00 32.42 H new ATOM 0 HG3 GLU A 46 12.521 -9.389 4.451 1.00 32.42 H new ATOM 683 N TYR A 47 9.974 -6.078 2.758 1.00 20.41 N ATOM 684 CA TYR A 47 9.484 -4.992 1.931 1.00 24.20 C ATOM 685 C TYR A 47 10.567 -3.962 1.678 1.00 63.40 C ATOM 686 O TYR A 47 11.487 -3.793 2.483 1.00 55.15 O ATOM 687 CB TYR A 47 8.257 -4.327 2.567 1.00 32.04 C ATOM 688 CG TYR A 47 8.448 -3.884 4.002 1.00 43.13 C ATOM 689 CD1 TYR A 47 9.038 -2.661 4.302 1.00 70.51 C ATOM 690 CD2 TYR A 47 8.023 -4.683 5.056 1.00 43.34 C ATOM 691 CE1 TYR A 47 9.203 -2.250 5.611 1.00 4.24 C ATOM 692 CE2 TYR A 47 8.181 -4.277 6.368 1.00 60.15 C ATOM 693 CZ TYR A 47 8.771 -3.059 6.642 1.00 44.22 C ATOM 694 OH TYR A 47 8.932 -2.653 7.949 1.00 73.32 O ATOM 0 H TYR A 47 10.617 -5.794 3.497 1.00 20.41 H new ATOM 0 HA TYR A 47 9.188 -5.419 0.973 1.00 24.20 H new ATOM 0 HB2 TYR A 47 7.979 -3.460 1.968 1.00 32.04 H new ATOM 0 HB3 TYR A 47 7.420 -5.024 2.525 1.00 32.04 H new ATOM 0 HD1 TYR A 47 9.373 -2.022 3.499 1.00 70.51 H new ATOM 0 HD2 TYR A 47 7.562 -5.637 4.847 1.00 43.34 H new ATOM 0 HE1 TYR A 47 9.668 -1.299 5.826 1.00 4.24 H new ATOM 0 HE2 TYR A 47 7.844 -4.910 7.176 1.00 60.15 H new ATOM 0 HH TYR A 47 8.573 -3.338 8.551 1.00 73.32 H new ATOM 704 N ASN A 48 10.470 -3.303 0.540 1.00 21.44 N ATOM 705 CA ASN A 48 11.337 -2.175 0.236 1.00 45.23 C ATOM 706 C ASN A 48 10.492 -0.932 0.095 1.00 23.04 C ATOM 707 O ASN A 48 9.284 -1.012 -0.145 1.00 63.21 O ATOM 708 CB ASN A 48 12.128 -2.356 -1.062 1.00 42.23 C ATOM 709 CG ASN A 48 12.981 -3.609 -1.115 1.00 3.31 C ATOM 710 OD1 ASN A 48 13.204 -4.163 -2.192 1.00 61.45 O ATOM 711 ND2 ASN A 48 13.474 -4.057 0.028 1.00 31.31 N ATOM 0 H ASN A 48 9.798 -3.528 -0.193 1.00 21.44 H new ATOM 0 HA ASN A 48 12.052 -2.096 1.055 1.00 45.23 H new ATOM 0 HB2 ASN A 48 11.429 -2.373 -1.898 1.00 42.23 H new ATOM 0 HB3 ASN A 48 12.772 -1.488 -1.203 1.00 42.23 H new ATOM 0 HD21 ASN A 48 14.062 -4.890 0.038 1.00 31.31 H new ATOM 0 HD22 ASN A 48 13.266 -3.569 0.899 1.00 31.31 H new ATOM 718 N VAL A 49 11.135 0.206 0.212 1.00 63.00 N ATOM 719 CA VAL A 49 10.465 1.490 0.096 1.00 71.21 C ATOM 720 C VAL A 49 11.355 2.451 -0.682 1.00 23.23 C ATOM 721 O VAL A 49 12.574 2.456 -0.498 1.00 4.24 O ATOM 722 CB VAL A 49 10.145 2.105 1.484 1.00 21.31 C ATOM 723 CG1 VAL A 49 9.384 3.414 1.334 1.00 10.31 C ATOM 724 CG2 VAL A 49 9.357 1.134 2.352 1.00 51.20 C ATOM 0 H VAL A 49 12.137 0.273 0.390 1.00 63.00 H new ATOM 0 HA VAL A 49 9.522 1.329 -0.425 1.00 71.21 H new ATOM 0 HB VAL A 49 11.095 2.309 1.979 1.00 21.31 H new ATOM 0 HG11 VAL A 49 9.171 3.826 2.320 1.00 10.31 H new ATOM 0 HG12 VAL A 49 9.988 4.123 0.767 1.00 10.31 H new ATOM 0 HG13 VAL A 49 8.447 3.232 0.807 1.00 10.31 H new ATOM 0 HG21 VAL A 49 9.149 1.595 3.317 1.00 51.20 H new ATOM 0 HG22 VAL A 49 8.417 0.885 1.859 1.00 51.20 H new ATOM 0 HG23 VAL A 49 9.940 0.225 2.502 1.00 51.20 H new ATOM 734 N SER A 50 10.756 3.238 -1.560 1.00 5.41 N ATOM 735 CA SER A 50 11.500 4.227 -2.324 1.00 45.32 C ATOM 736 C SER A 50 12.013 5.322 -1.397 1.00 62.43 C ATOM 737 O SER A 50 11.514 5.485 -0.283 1.00 61.34 O ATOM 738 CB SER A 50 10.597 4.850 -3.383 1.00 71.13 C ATOM 739 OG SER A 50 9.604 3.929 -3.809 1.00 14.41 O ATOM 0 H SER A 50 9.757 3.212 -1.762 1.00 5.41 H new ATOM 0 HA SER A 50 12.344 3.735 -2.807 1.00 45.32 H new ATOM 0 HB2 SER A 50 10.121 5.744 -2.980 1.00 71.13 H new ATOM 0 HB3 SER A 50 11.196 5.166 -4.237 1.00 71.13 H new ATOM 0 HG SER A 50 10.018 3.057 -3.978 1.00 14.41 H new ATOM 745 N GLU A 51 12.998 6.073 -1.853 1.00 50.14 N ATOM 746 CA GLU A 51 13.479 7.207 -1.090 1.00 4.32 C ATOM 747 C GLU A 51 12.492 8.353 -1.222 1.00 53.51 C ATOM 748 O GLU A 51 12.092 8.722 -2.328 1.00 51.41 O ATOM 749 CB GLU A 51 14.879 7.650 -1.541 1.00 11.53 C ATOM 750 CG GLU A 51 14.979 8.035 -3.008 1.00 12.41 C ATOM 751 CD GLU A 51 15.228 6.847 -3.912 1.00 34.33 C ATOM 752 OE1 GLU A 51 14.282 6.075 -4.168 1.00 74.21 O ATOM 753 OE2 GLU A 51 16.376 6.687 -4.376 1.00 43.25 O ATOM 0 H GLU A 51 13.477 5.920 -2.741 1.00 50.14 H new ATOM 0 HA GLU A 51 13.560 6.907 -0.045 1.00 4.32 H new ATOM 0 HB2 GLU A 51 15.190 8.500 -0.934 1.00 11.53 H new ATOM 0 HB3 GLU A 51 15.583 6.842 -1.342 1.00 11.53 H new ATOM 0 HG2 GLU A 51 14.057 8.530 -3.312 1.00 12.41 H new ATOM 0 HG3 GLU A 51 15.785 8.757 -3.135 1.00 12.41 H new ATOM 760 N LEU A 52 12.077 8.895 -0.100 1.00 50.13 N ATOM 761 CA LEU A 52 11.104 9.959 -0.105 1.00 3.22 C ATOM 762 C LEU A 52 11.781 11.274 -0.433 1.00 14.23 C ATOM 763 O LEU A 52 12.720 11.690 0.249 1.00 23.15 O ATOM 764 CB LEU A 52 10.374 10.049 1.238 1.00 44.31 C ATOM 765 CG LEU A 52 9.473 8.855 1.579 1.00 73.22 C ATOM 766 CD1 LEU A 52 10.289 7.670 2.077 1.00 13.12 C ATOM 767 CD2 LEU A 52 8.434 9.256 2.608 1.00 73.21 C ATOM 0 H LEU A 52 12.399 8.616 0.827 1.00 50.13 H new ATOM 0 HA LEU A 52 10.360 9.741 -0.871 1.00 3.22 H new ATOM 0 HB2 LEU A 52 11.116 10.160 2.029 1.00 44.31 H new ATOM 0 HB3 LEU A 52 9.766 10.954 1.242 1.00 44.31 H new ATOM 0 HG LEU A 52 8.963 8.547 0.666 1.00 73.22 H new ATOM 0 HD11 LEU A 52 9.621 6.841 2.310 1.00 13.12 H new ATOM 0 HD12 LEU A 52 10.993 7.363 1.304 1.00 13.12 H new ATOM 0 HD13 LEU A 52 10.837 7.957 2.974 1.00 13.12 H new ATOM 0 HD21 LEU A 52 7.802 8.399 2.840 1.00 73.21 H new ATOM 0 HD22 LEU A 52 8.933 9.595 3.516 1.00 73.21 H new ATOM 0 HD23 LEU A 52 7.819 10.063 2.209 1.00 73.21 H new ATOM 779 N THR A 53 11.315 11.911 -1.488 1.00 64.20 N ATOM 780 CA THR A 53 11.874 13.171 -1.930 1.00 2.43 C ATOM 781 C THR A 53 11.243 14.323 -1.157 1.00 12.24 C ATOM 782 O THR A 53 10.594 14.111 -0.133 1.00 10.30 O ATOM 783 CB THR A 53 11.654 13.359 -3.443 1.00 54.22 C ATOM 784 OG1 THR A 53 10.285 13.094 -3.778 1.00 32.55 O ATOM 785 CG2 THR A 53 12.562 12.436 -4.240 1.00 60.53 C ATOM 0 H THR A 53 10.542 11.571 -2.060 1.00 64.20 H new ATOM 0 HA THR A 53 12.947 13.162 -1.737 1.00 2.43 H new ATOM 0 HB THR A 53 11.896 14.391 -3.696 1.00 54.22 H new ATOM 0 HG1 THR A 53 10.154 13.218 -4.741 1.00 32.55 H new ATOM 0 HG21 THR A 53 12.389 12.586 -5.306 1.00 60.53 H new ATOM 0 HG22 THR A 53 13.603 12.659 -4.006 1.00 60.53 H new ATOM 0 HG23 THR A 53 12.346 11.400 -3.980 1.00 60.53 H new ATOM 793 N GLU A 54 11.451 15.538 -1.622 1.00 73.30 N ATOM 794 CA GLU A 54 10.840 16.693 -0.990 1.00 3.52 C ATOM 795 C GLU A 54 9.408 16.833 -1.479 1.00 33.43 C ATOM 796 O GLU A 54 8.493 17.143 -0.712 1.00 61.13 O ATOM 797 CB GLU A 54 11.633 17.959 -1.310 1.00 53.25 C ATOM 798 CG GLU A 54 11.118 19.192 -0.597 1.00 41.21 C ATOM 799 CD GLU A 54 11.856 20.444 -1.009 1.00 43.15 C ATOM 800 OE1 GLU A 54 13.065 20.542 -0.718 1.00 24.44 O ATOM 801 OE2 GLU A 54 11.230 21.338 -1.613 1.00 60.54 O ATOM 0 H GLU A 54 12.035 15.752 -2.431 1.00 73.30 H new ATOM 0 HA GLU A 54 10.843 16.553 0.091 1.00 3.52 H new ATOM 0 HB2 GLU A 54 12.677 17.802 -1.039 1.00 53.25 H new ATOM 0 HB3 GLU A 54 11.605 18.133 -2.386 1.00 53.25 H new ATOM 0 HG2 GLU A 54 10.056 19.313 -0.808 1.00 41.21 H new ATOM 0 HG3 GLU A 54 11.215 19.053 0.480 1.00 41.21 H new ATOM 808 N GLU A 55 9.228 16.566 -2.762 1.00 74.41 N ATOM 809 CA GLU A 55 7.931 16.680 -3.398 1.00 63.01 C ATOM 810 C GLU A 55 7.339 15.310 -3.697 1.00 3.45 C ATOM 811 O GLU A 55 6.630 15.136 -4.690 1.00 25.24 O ATOM 812 CB GLU A 55 8.054 17.492 -4.686 1.00 60.33 C ATOM 813 CG GLU A 55 8.154 18.985 -4.449 1.00 3.24 C ATOM 814 CD GLU A 55 6.963 19.514 -3.682 1.00 63.50 C ATOM 815 OE1 GLU A 55 5.816 19.143 -4.023 1.00 54.34 O ATOM 816 OE2 GLU A 55 7.162 20.307 -2.737 1.00 74.41 O ATOM 0 H GLU A 55 9.975 16.265 -3.388 1.00 74.41 H new ATOM 0 HA GLU A 55 7.259 17.192 -2.710 1.00 63.01 H new ATOM 0 HB2 GLU A 55 8.935 17.159 -5.234 1.00 60.33 H new ATOM 0 HB3 GLU A 55 7.190 17.289 -5.319 1.00 60.33 H new ATOM 0 HG2 GLU A 55 9.068 19.205 -3.897 1.00 3.24 H new ATOM 0 HG3 GLU A 55 8.228 19.501 -5.406 1.00 3.24 H new ATOM 823 N SER A 56 7.611 14.345 -2.832 1.00 55.33 N ATOM 824 CA SER A 56 7.055 13.016 -2.993 1.00 73.13 C ATOM 825 C SER A 56 5.557 13.008 -2.721 1.00 20.52 C ATOM 826 O SER A 56 5.120 13.050 -1.570 1.00 65.42 O ATOM 827 CB SER A 56 7.756 12.029 -2.067 1.00 34.12 C ATOM 828 OG SER A 56 7.936 12.584 -0.776 1.00 24.14 O ATOM 0 H SER A 56 8.211 14.459 -2.015 1.00 55.33 H new ATOM 0 HA SER A 56 7.217 12.712 -4.027 1.00 73.13 H new ATOM 0 HB2 SER A 56 7.169 11.113 -1.994 1.00 34.12 H new ATOM 0 HB3 SER A 56 8.724 11.755 -2.487 1.00 34.12 H new ATOM 0 HG SER A 56 8.823 12.997 -0.718 1.00 24.14 H new ATOM 834 N LYS A 57 4.778 12.981 -3.790 1.00 25.03 N ATOM 835 CA LYS A 57 3.342 12.803 -3.673 1.00 51.21 C ATOM 836 C LYS A 57 2.997 11.346 -3.927 1.00 32.04 C ATOM 837 O LYS A 57 1.826 10.961 -3.949 1.00 73.02 O ATOM 838 CB LYS A 57 2.577 13.716 -4.640 1.00 31.23 C ATOM 839 CG LYS A 57 2.380 15.136 -4.122 1.00 71.11 C ATOM 840 CD LYS A 57 3.625 15.990 -4.279 1.00 31.10 C ATOM 841 CE LYS A 57 3.846 16.380 -5.730 1.00 61.22 C ATOM 842 NZ LYS A 57 5.064 17.214 -5.911 1.00 42.33 N ATOM 0 H LYS A 57 5.116 13.080 -4.747 1.00 25.03 H new ATOM 0 HA LYS A 57 3.039 13.081 -2.663 1.00 51.21 H new ATOM 0 HB2 LYS A 57 3.114 13.757 -5.588 1.00 31.23 H new ATOM 0 HB3 LYS A 57 1.601 13.276 -4.845 1.00 31.23 H new ATOM 0 HG2 LYS A 57 1.553 15.603 -4.657 1.00 71.11 H new ATOM 0 HG3 LYS A 57 2.099 15.100 -3.070 1.00 71.11 H new ATOM 0 HD2 LYS A 57 3.532 16.888 -3.669 1.00 31.10 H new ATOM 0 HD3 LYS A 57 4.493 15.443 -3.911 1.00 31.10 H new ATOM 0 HE2 LYS A 57 3.932 15.479 -6.337 1.00 61.22 H new ATOM 0 HE3 LYS A 57 2.976 16.927 -6.093 1.00 61.22 H new ATOM 0 HZ1 LYS A 57 4.904 17.901 -6.676 1.00 42.33 H new ATOM 0 HZ2 LYS A 57 5.271 17.722 -5.027 1.00 42.33 H new ATOM 0 HZ3 LYS A 57 5.869 16.604 -6.157 1.00 42.33 H new ATOM 856 N GLU A 58 4.036 10.539 -4.107 1.00 44.33 N ATOM 857 CA GLU A 58 3.876 9.116 -4.347 1.00 23.23 C ATOM 858 C GLU A 58 5.140 8.368 -3.938 1.00 61.32 C ATOM 859 O GLU A 58 6.219 8.956 -3.849 1.00 30.31 O ATOM 860 CB GLU A 58 3.565 8.834 -5.824 1.00 2.43 C ATOM 861 CG GLU A 58 4.653 9.281 -6.795 1.00 13.42 C ATOM 862 CD GLU A 58 4.457 10.696 -7.302 1.00 14.31 C ATOM 863 OE1 GLU A 58 3.766 10.866 -8.331 1.00 63.13 O ATOM 864 OE2 GLU A 58 5.004 11.643 -6.694 1.00 51.43 O ATOM 0 H GLU A 58 5.006 10.853 -4.090 1.00 44.33 H new ATOM 0 HA GLU A 58 3.037 8.768 -3.745 1.00 23.23 H new ATOM 0 HB2 GLU A 58 3.400 7.764 -5.950 1.00 2.43 H new ATOM 0 HB3 GLU A 58 2.633 9.333 -6.088 1.00 2.43 H new ATOM 0 HG2 GLU A 58 5.622 9.210 -6.302 1.00 13.42 H new ATOM 0 HG3 GLU A 58 4.676 8.598 -7.644 1.00 13.42 H new ATOM 871 N LEU A 59 4.995 7.080 -3.671 1.00 54.22 N ATOM 872 CA LEU A 59 6.134 6.217 -3.390 1.00 32.14 C ATOM 873 C LEU A 59 5.756 4.772 -3.683 1.00 41.25 C ATOM 874 O LEU A 59 4.573 4.427 -3.696 1.00 2.24 O ATOM 875 CB LEU A 59 6.618 6.365 -1.935 1.00 53.52 C ATOM 876 CG LEU A 59 5.813 5.619 -0.862 1.00 70.20 C ATOM 877 CD1 LEU A 59 6.495 5.754 0.487 1.00 33.22 C ATOM 878 CD2 LEU A 59 4.386 6.134 -0.775 1.00 34.23 C ATOM 0 H LEU A 59 4.093 6.605 -3.643 1.00 54.22 H new ATOM 0 HA LEU A 59 6.960 6.518 -4.035 1.00 32.14 H new ATOM 0 HB2 LEU A 59 7.652 6.023 -1.884 1.00 53.52 H new ATOM 0 HB3 LEU A 59 6.620 7.426 -1.683 1.00 53.52 H new ATOM 0 HG LEU A 59 5.773 4.567 -1.146 1.00 70.20 H new ATOM 0 HD11 LEU A 59 5.917 5.222 1.242 1.00 33.22 H new ATOM 0 HD12 LEU A 59 7.498 5.330 0.432 1.00 33.22 H new ATOM 0 HD13 LEU A 59 6.561 6.808 0.757 1.00 33.22 H new ATOM 0 HD21 LEU A 59 3.846 5.583 -0.005 1.00 34.23 H new ATOM 0 HD22 LEU A 59 4.397 7.194 -0.522 1.00 34.23 H new ATOM 0 HD23 LEU A 59 3.890 5.995 -1.736 1.00 34.23 H new ATOM 890 N THR A 60 6.748 3.939 -3.934 1.00 62.43 N ATOM 891 CA THR A 60 6.494 2.549 -4.262 1.00 3.32 C ATOM 892 C THR A 60 7.015 1.630 -3.159 1.00 65.12 C ATOM 893 O THR A 60 8.219 1.571 -2.900 1.00 74.51 O ATOM 894 CB THR A 60 7.154 2.178 -5.601 1.00 15.50 C ATOM 895 OG1 THR A 60 6.933 3.230 -6.552 1.00 54.42 O ATOM 896 CG2 THR A 60 6.584 0.875 -6.141 1.00 32.03 C ATOM 0 H THR A 60 7.734 4.199 -3.917 1.00 62.43 H new ATOM 0 HA THR A 60 5.416 2.417 -4.351 1.00 3.32 H new ATOM 0 HB THR A 60 8.224 2.047 -5.437 1.00 15.50 H new ATOM 0 HG1 THR A 60 7.355 2.994 -7.404 1.00 54.42 H new ATOM 0 HG21 THR A 60 7.065 0.632 -7.088 1.00 32.03 H new ATOM 0 HG22 THR A 60 6.767 0.074 -5.425 1.00 32.03 H new ATOM 0 HG23 THR A 60 5.511 0.984 -6.297 1.00 32.03 H new ATOM 904 N ALA A 61 6.100 0.931 -2.505 1.00 64.21 N ATOM 905 CA ALA A 61 6.458 -0.004 -1.455 1.00 42.31 C ATOM 906 C ALA A 61 6.102 -1.419 -1.883 1.00 22.35 C ATOM 907 O ALA A 61 4.937 -1.728 -2.124 1.00 71.41 O ATOM 908 CB ALA A 61 5.753 0.356 -0.156 1.00 45.11 C ATOM 0 H ALA A 61 5.098 0.996 -2.686 1.00 64.21 H new ATOM 0 HA ALA A 61 7.533 0.052 -1.283 1.00 42.31 H new ATOM 0 HB1 ALA A 61 6.034 -0.356 0.620 1.00 45.11 H new ATOM 0 HB2 ALA A 61 6.045 1.360 0.150 1.00 45.11 H new ATOM 0 HB3 ALA A 61 4.674 0.322 -0.306 1.00 45.11 H new ATOM 914 N ARG A 62 7.103 -2.271 -2.005 1.00 14.24 N ATOM 915 CA ARG A 62 6.869 -3.636 -2.453 1.00 13.31 C ATOM 916 C ARG A 62 7.050 -4.630 -1.318 1.00 31.11 C ATOM 917 O ARG A 62 8.112 -4.694 -0.700 1.00 43.23 O ATOM 918 CB ARG A 62 7.779 -3.997 -3.628 1.00 30.14 C ATOM 919 CG ARG A 62 7.674 -5.459 -4.037 1.00 12.21 C ATOM 920 CD ARG A 62 8.337 -5.725 -5.377 1.00 71.51 C ATOM 921 NE ARG A 62 7.458 -5.412 -6.501 1.00 45.34 N ATOM 922 CZ ARG A 62 7.846 -5.414 -7.774 1.00 14.23 C ATOM 923 NH1 ARG A 62 9.119 -5.668 -8.085 1.00 72.15 N ATOM 924 NH2 ARG A 62 6.965 -5.147 -8.729 1.00 70.41 N ATOM 0 H ARG A 62 8.078 -2.048 -1.803 1.00 14.24 H new ATOM 0 HA ARG A 62 5.834 -3.692 -2.792 1.00 13.31 H new ATOM 0 HB2 ARG A 62 7.527 -3.368 -4.482 1.00 30.14 H new ATOM 0 HB3 ARG A 62 8.812 -3.774 -3.362 1.00 30.14 H new ATOM 0 HG2 ARG A 62 8.138 -6.083 -3.273 1.00 12.21 H new ATOM 0 HG3 ARG A 62 6.624 -5.746 -4.089 1.00 12.21 H new ATOM 0 HD2 ARG A 62 9.248 -5.131 -5.454 1.00 71.51 H new ATOM 0 HD3 ARG A 62 8.634 -6.772 -5.432 1.00 71.51 H new ATOM 0 HE ARG A 62 6.486 -5.177 -6.297 1.00 45.34 H new ATOM 0 HH11 ARG A 62 9.796 -5.861 -7.347 1.00 72.15 H new ATOM 0 HH12 ARG A 62 9.415 -5.669 -9.061 1.00 72.15 H new ATOM 0 HH21 ARG A 62 5.996 -4.942 -8.486 1.00 70.41 H new ATOM 0 HH22 ARG A 62 7.257 -5.147 -9.706 1.00 70.41 H new ATOM 938 N PHE A 63 6.003 -5.404 -1.064 1.00 43.51 N ATOM 939 CA PHE A 63 6.008 -6.399 -0.006 1.00 55.43 C ATOM 940 C PHE A 63 6.080 -7.794 -0.614 1.00 53.23 C ATOM 941 O PHE A 63 5.259 -8.149 -1.463 1.00 43.24 O ATOM 942 CB PHE A 63 4.732 -6.288 0.840 1.00 35.01 C ATOM 943 CG PHE A 63 4.445 -4.904 1.357 1.00 2.12 C ATOM 944 CD1 PHE A 63 3.721 -4.000 0.593 1.00 4.11 C ATOM 945 CD2 PHE A 63 4.889 -4.510 2.609 1.00 11.30 C ATOM 946 CE1 PHE A 63 3.447 -2.731 1.069 1.00 71.24 C ATOM 947 CE2 PHE A 63 4.618 -3.241 3.089 1.00 2.24 C ATOM 948 CZ PHE A 63 3.897 -2.351 2.318 1.00 64.44 C ATOM 0 H PHE A 63 5.128 -5.358 -1.587 1.00 43.51 H new ATOM 0 HA PHE A 63 6.876 -6.224 0.630 1.00 55.43 H new ATOM 0 HB2 PHE A 63 3.884 -6.622 0.242 1.00 35.01 H new ATOM 0 HB3 PHE A 63 4.812 -6.969 1.687 1.00 35.01 H new ATOM 0 HD1 PHE A 63 3.367 -4.291 -0.385 1.00 4.11 H new ATOM 0 HD2 PHE A 63 5.453 -5.202 3.217 1.00 11.30 H new ATOM 0 HE1 PHE A 63 2.881 -2.038 0.464 1.00 71.24 H new ATOM 0 HE2 PHE A 63 4.970 -2.947 4.067 1.00 2.24 H new ATOM 0 HZ PHE A 63 3.685 -1.360 2.691 1.00 64.44 H new ATOM 958 N LYS A 64 7.059 -8.580 -0.203 1.00 11.51 N ATOM 959 CA LYS A 64 7.123 -9.963 -0.641 1.00 62.50 C ATOM 960 C LYS A 64 6.686 -10.882 0.488 1.00 55.21 C ATOM 961 O LYS A 64 7.250 -10.867 1.589 1.00 54.51 O ATOM 962 CB LYS A 64 8.522 -10.358 -1.130 1.00 74.00 C ATOM 963 CG LYS A 64 9.590 -10.352 -0.049 1.00 21.24 C ATOM 964 CD LYS A 64 10.530 -11.538 -0.186 1.00 31.11 C ATOM 965 CE LYS A 64 9.830 -12.862 0.093 1.00 72.30 C ATOM 966 NZ LYS A 64 9.321 -12.946 1.490 1.00 41.15 N ATOM 0 H LYS A 64 7.810 -8.291 0.424 1.00 11.51 H new ATOM 0 HA LYS A 64 6.445 -10.068 -1.488 1.00 62.50 H new ATOM 0 HB2 LYS A 64 8.472 -11.354 -1.569 1.00 74.00 H new ATOM 0 HB3 LYS A 64 8.822 -9.675 -1.924 1.00 74.00 H new ATOM 0 HG2 LYS A 64 10.161 -9.425 -0.106 1.00 21.24 H new ATOM 0 HG3 LYS A 64 9.116 -10.374 0.932 1.00 21.24 H new ATOM 0 HD2 LYS A 64 10.947 -11.555 -1.193 1.00 31.11 H new ATOM 0 HD3 LYS A 64 11.366 -11.419 0.503 1.00 31.11 H new ATOM 0 HE2 LYS A 64 9.000 -12.986 -0.602 1.00 72.30 H new ATOM 0 HE3 LYS A 64 10.523 -13.683 -0.089 1.00 72.30 H new ATOM 0 HZ1 LYS A 64 9.053 -13.928 1.704 1.00 41.15 H new ATOM 0 HZ2 LYS A 64 10.064 -12.639 2.149 1.00 41.15 H new ATOM 0 HZ3 LYS A 64 8.489 -12.330 1.594 1.00 41.15 H new ATOM 980 N PHE A 65 5.691 -11.685 0.204 1.00 75.55 N ATOM 981 CA PHE A 65 5.132 -12.588 1.187 1.00 1.10 C ATOM 982 C PHE A 65 5.829 -13.935 1.091 1.00 35.34 C ATOM 983 O PHE A 65 6.721 -14.120 0.258 1.00 1.35 O ATOM 984 CB PHE A 65 3.624 -12.742 0.963 1.00 61.22 C ATOM 985 CG PHE A 65 2.871 -11.441 1.028 1.00 51.21 C ATOM 986 CD1 PHE A 65 2.429 -10.944 2.240 1.00 24.53 C ATOM 987 CD2 PHE A 65 2.604 -10.717 -0.124 1.00 64.12 C ATOM 988 CE1 PHE A 65 1.736 -9.752 2.305 1.00 74.40 C ATOM 989 CE2 PHE A 65 1.911 -9.523 -0.066 1.00 43.24 C ATOM 990 CZ PHE A 65 1.477 -9.040 1.150 1.00 63.14 C ATOM 0 H PHE A 65 5.245 -11.734 -0.712 1.00 75.55 H new ATOM 0 HA PHE A 65 5.288 -12.180 2.186 1.00 1.10 H new ATOM 0 HB2 PHE A 65 3.455 -13.202 -0.010 1.00 61.22 H new ATOM 0 HB3 PHE A 65 3.221 -13.423 1.712 1.00 61.22 H new ATOM 0 HD1 PHE A 65 2.628 -11.495 3.147 1.00 24.53 H new ATOM 0 HD2 PHE A 65 2.942 -11.091 -1.079 1.00 64.12 H new ATOM 0 HE1 PHE A 65 1.396 -9.376 3.259 1.00 74.40 H new ATOM 0 HE2 PHE A 65 1.710 -8.969 -0.971 1.00 43.24 H new ATOM 0 HZ PHE A 65 0.936 -8.107 1.200 1.00 63.14 H new ATOM 1000 N GLU A 66 5.447 -14.862 1.943 1.00 61.14 N ATOM 1001 CA GLU A 66 6.037 -16.185 1.927 1.00 23.44 C ATOM 1002 C GLU A 66 5.246 -17.116 1.018 1.00 52.24 C ATOM 1003 O GLU A 66 5.823 -17.915 0.279 1.00 45.52 O ATOM 1004 CB GLU A 66 6.119 -16.736 3.344 1.00 1.25 C ATOM 1005 CG GLU A 66 7.167 -16.037 4.192 1.00 20.24 C ATOM 1006 CD GLU A 66 8.549 -16.116 3.574 1.00 71.24 C ATOM 1007 OE1 GLU A 66 8.884 -15.256 2.734 1.00 31.33 O ATOM 1008 OE2 GLU A 66 9.312 -17.045 3.923 1.00 63.24 O ATOM 0 H GLU A 66 4.730 -14.725 2.656 1.00 61.14 H new ATOM 0 HA GLU A 66 7.049 -16.115 1.527 1.00 23.44 H new ATOM 0 HB2 GLU A 66 5.145 -16.636 3.824 1.00 1.25 H new ATOM 0 HB3 GLU A 66 6.345 -17.801 3.301 1.00 1.25 H new ATOM 0 HG2 GLU A 66 6.888 -14.991 4.322 1.00 20.24 H new ATOM 0 HG3 GLU A 66 7.188 -16.487 5.184 1.00 20.24 H new ATOM 1015 N VAL A 67 3.928 -17.004 1.068 1.00 63.11 N ATOM 1016 CA VAL A 67 3.071 -17.772 0.177 1.00 10.14 C ATOM 1017 C VAL A 67 2.125 -16.847 -0.580 1.00 25.23 C ATOM 1018 O VAL A 67 1.777 -15.767 -0.095 1.00 44.13 O ATOM 1019 CB VAL A 67 2.256 -18.852 0.929 1.00 42.13 C ATOM 1020 CG1 VAL A 67 3.177 -19.905 1.527 1.00 4.52 C ATOM 1021 CG2 VAL A 67 1.387 -18.234 2.013 1.00 61.32 C ATOM 0 H VAL A 67 3.429 -16.391 1.713 1.00 63.11 H new ATOM 0 HA VAL A 67 3.726 -18.284 -0.528 1.00 10.14 H new ATOM 0 HB VAL A 67 1.601 -19.334 0.204 1.00 42.13 H new ATOM 0 HG11 VAL A 67 2.582 -20.654 2.051 1.00 4.52 H new ATOM 0 HG12 VAL A 67 3.746 -20.385 0.731 1.00 4.52 H new ATOM 0 HG13 VAL A 67 3.864 -19.432 2.229 1.00 4.52 H new ATOM 0 HG21 VAL A 67 0.828 -19.019 2.522 1.00 61.32 H new ATOM 0 HG22 VAL A 67 2.019 -17.713 2.733 1.00 61.32 H new ATOM 0 HG23 VAL A 67 0.691 -17.527 1.562 1.00 61.32 H new ATOM 1031 N SER A 68 1.715 -17.267 -1.770 1.00 34.32 N ATOM 1032 CA SER A 68 0.871 -16.448 -2.633 1.00 71.25 C ATOM 1033 C SER A 68 -0.473 -16.140 -1.984 1.00 73.02 C ATOM 1034 O SER A 68 -1.119 -15.140 -2.305 1.00 3.15 O ATOM 1035 CB SER A 68 0.667 -17.161 -3.963 1.00 4.13 C ATOM 1036 OG SER A 68 1.912 -17.477 -4.555 1.00 34.05 O ATOM 0 H SER A 68 1.955 -18.177 -2.163 1.00 34.32 H new ATOM 0 HA SER A 68 1.374 -15.495 -2.799 1.00 71.25 H new ATOM 0 HB2 SER A 68 0.090 -18.073 -3.808 1.00 4.13 H new ATOM 0 HB3 SER A 68 0.088 -16.528 -4.636 1.00 4.13 H new ATOM 0 HG SER A 68 1.799 -17.573 -5.524 1.00 34.05 H new ATOM 1042 N ALA A 69 -0.870 -16.991 -1.055 1.00 25.20 N ATOM 1043 CA ALA A 69 -2.125 -16.819 -0.338 1.00 42.12 C ATOM 1044 C ALA A 69 -2.117 -15.535 0.485 1.00 20.14 C ATOM 1045 O ALA A 69 -3.153 -14.893 0.661 1.00 71.34 O ATOM 1046 CB ALA A 69 -2.379 -18.019 0.560 1.00 31.42 C ATOM 0 H ALA A 69 -0.338 -17.815 -0.776 1.00 25.20 H new ATOM 0 HA ALA A 69 -2.929 -16.744 -1.070 1.00 42.12 H new ATOM 0 HB1 ALA A 69 -3.320 -17.882 1.093 1.00 31.42 H new ATOM 0 HB2 ALA A 69 -2.434 -18.923 -0.047 1.00 31.42 H new ATOM 0 HB3 ALA A 69 -1.565 -18.114 1.279 1.00 31.42 H new ATOM 1052 N GLU A 70 -0.936 -15.159 0.969 1.00 64.13 N ATOM 1053 CA GLU A 70 -0.782 -13.972 1.794 1.00 61.43 C ATOM 1054 C GLU A 70 -1.025 -12.707 0.977 1.00 51.33 C ATOM 1055 O GLU A 70 -1.547 -11.717 1.493 1.00 72.34 O ATOM 1056 CB GLU A 70 0.614 -13.956 2.419 1.00 63.41 C ATOM 1057 CG GLU A 70 0.846 -15.098 3.390 1.00 25.15 C ATOM 1058 CD GLU A 70 2.194 -15.025 4.067 1.00 54.04 C ATOM 1059 OE1 GLU A 70 3.220 -15.207 3.381 1.00 12.31 O ATOM 1060 OE2 GLU A 70 2.228 -14.806 5.297 1.00 51.22 O ATOM 0 H GLU A 70 -0.067 -15.666 0.800 1.00 64.13 H new ATOM 0 HA GLU A 70 -1.525 -13.999 2.591 1.00 61.43 H new ATOM 0 HB2 GLU A 70 1.361 -14.004 1.626 1.00 63.41 H new ATOM 0 HB3 GLU A 70 0.762 -13.010 2.939 1.00 63.41 H new ATOM 0 HG2 GLU A 70 0.063 -15.089 4.148 1.00 25.15 H new ATOM 0 HG3 GLU A 70 0.763 -16.045 2.857 1.00 25.15 H new ATOM 1067 N LYS A 71 -0.666 -12.755 -0.304 1.00 71.14 N ATOM 1068 CA LYS A 71 -0.901 -11.629 -1.203 1.00 64.55 C ATOM 1069 C LYS A 71 -2.383 -11.346 -1.298 1.00 40.14 C ATOM 1070 O LYS A 71 -2.840 -10.242 -1.017 1.00 30.35 O ATOM 1071 CB LYS A 71 -0.396 -11.919 -2.615 1.00 23.12 C ATOM 1072 CG LYS A 71 -0.508 -10.701 -3.524 1.00 3.35 C ATOM 1073 CD LYS A 71 -0.234 -11.018 -4.986 1.00 71.31 C ATOM 1074 CE LYS A 71 1.238 -11.281 -5.251 1.00 10.11 C ATOM 1075 NZ LYS A 71 1.563 -11.198 -6.702 1.00 43.24 N ATOM 0 H LYS A 71 -0.213 -13.558 -0.741 1.00 71.14 H new ATOM 0 HA LYS A 71 -0.362 -10.775 -0.793 1.00 64.55 H new ATOM 0 HB2 LYS A 71 0.644 -12.242 -2.569 1.00 23.12 H new ATOM 0 HB3 LYS A 71 -0.967 -12.743 -3.042 1.00 23.12 H new ATOM 0 HG2 LYS A 71 -1.508 -10.278 -3.432 1.00 3.35 H new ATOM 0 HG3 LYS A 71 0.193 -9.938 -3.187 1.00 3.35 H new ATOM 0 HD2 LYS A 71 -0.816 -11.891 -5.282 1.00 71.31 H new ATOM 0 HD3 LYS A 71 -0.570 -10.186 -5.605 1.00 71.31 H new ATOM 0 HE2 LYS A 71 1.841 -10.558 -4.702 1.00 10.11 H new ATOM 0 HE3 LYS A 71 1.504 -12.269 -4.875 1.00 10.11 H new ATOM 0 HZ1 LYS A 71 2.530 -11.547 -6.862 1.00 43.24 H new ATOM 0 HZ2 LYS A 71 0.891 -11.780 -7.242 1.00 43.24 H new ATOM 0 HZ3 LYS A 71 1.495 -10.209 -7.017 1.00 43.24 H new ATOM 1089 N LEU A 72 -3.111 -12.375 -1.699 1.00 52.13 N ATOM 1090 CA LEU A 72 -4.554 -12.290 -1.911 1.00 63.10 C ATOM 1091 C LEU A 72 -5.261 -11.666 -0.713 1.00 22.24 C ATOM 1092 O LEU A 72 -6.124 -10.806 -0.879 1.00 34.14 O ATOM 1093 CB LEU A 72 -5.129 -13.683 -2.185 1.00 70.25 C ATOM 1094 CG LEU A 72 -4.517 -14.418 -3.383 1.00 14.14 C ATOM 1095 CD1 LEU A 72 -5.119 -15.809 -3.517 1.00 45.44 C ATOM 1096 CD2 LEU A 72 -4.724 -13.622 -4.665 1.00 70.51 C ATOM 0 H LEU A 72 -2.720 -13.298 -1.888 1.00 52.13 H new ATOM 0 HA LEU A 72 -4.725 -11.648 -2.775 1.00 63.10 H new ATOM 0 HB2 LEU A 72 -4.992 -14.296 -1.294 1.00 70.25 H new ATOM 0 HB3 LEU A 72 -6.203 -13.590 -2.346 1.00 70.25 H new ATOM 0 HG LEU A 72 -3.445 -14.519 -3.212 1.00 14.14 H new ATOM 0 HD11 LEU A 72 -4.674 -16.317 -4.372 1.00 45.44 H new ATOM 0 HD12 LEU A 72 -4.919 -16.381 -2.611 1.00 45.44 H new ATOM 0 HD13 LEU A 72 -6.196 -15.727 -3.664 1.00 45.44 H new ATOM 0 HD21 LEU A 72 -4.282 -14.161 -5.503 1.00 70.51 H new ATOM 0 HD22 LEU A 72 -5.791 -13.488 -4.842 1.00 70.51 H new ATOM 0 HD23 LEU A 72 -4.247 -12.647 -4.569 1.00 70.51 H new ATOM 1108 N ILE A 73 -4.880 -12.089 0.487 1.00 53.20 N ATOM 1109 CA ILE A 73 -5.466 -11.554 1.710 1.00 52.35 C ATOM 1110 C ILE A 73 -5.179 -10.059 1.842 1.00 53.41 C ATOM 1111 O ILE A 73 -6.097 -9.258 2.022 1.00 21.31 O ATOM 1112 CB ILE A 73 -4.926 -12.287 2.958 1.00 51.41 C ATOM 1113 CG1 ILE A 73 -5.187 -13.792 2.846 1.00 73.13 C ATOM 1114 CG2 ILE A 73 -5.558 -11.725 4.226 1.00 51.32 C ATOM 1115 CD1 ILE A 73 -4.556 -14.598 3.960 1.00 40.42 C ATOM 0 H ILE A 73 -4.167 -12.802 0.639 1.00 53.20 H new ATOM 0 HA ILE A 73 -6.543 -11.711 1.647 1.00 52.35 H new ATOM 0 HB ILE A 73 -3.849 -12.126 3.015 1.00 51.41 H new ATOM 0 HG12 ILE A 73 -6.263 -13.967 2.846 1.00 73.13 H new ATOM 0 HG13 ILE A 73 -4.806 -14.149 1.889 1.00 73.13 H new ATOM 0 HG21 ILE A 73 -5.165 -12.254 5.094 1.00 51.32 H new ATOM 0 HG22 ILE A 73 -5.322 -10.664 4.311 1.00 51.32 H new ATOM 0 HG23 ILE A 73 -6.639 -11.854 4.182 1.00 51.32 H new ATOM 0 HD11 ILE A 73 -4.781 -15.655 3.817 1.00 40.42 H new ATOM 0 HD12 ILE A 73 -3.476 -14.452 3.948 1.00 40.42 H new ATOM 0 HD13 ILE A 73 -4.956 -14.268 4.919 1.00 40.42 H new ATOM 1127 N PHE A 74 -3.906 -9.693 1.737 1.00 42.44 N ATOM 1128 CA PHE A 74 -3.487 -8.296 1.851 1.00 31.01 C ATOM 1129 C PHE A 74 -4.167 -7.442 0.784 1.00 71.41 C ATOM 1130 O PHE A 74 -4.758 -6.404 1.090 1.00 73.01 O ATOM 1131 CB PHE A 74 -1.962 -8.200 1.725 1.00 33.15 C ATOM 1132 CG PHE A 74 -1.423 -6.798 1.820 1.00 14.01 C ATOM 1133 CD1 PHE A 74 -1.313 -6.165 3.046 1.00 2.44 C ATOM 1134 CD2 PHE A 74 -1.018 -6.120 0.681 1.00 12.10 C ATOM 1135 CE1 PHE A 74 -0.813 -4.879 3.135 1.00 61.12 C ATOM 1136 CE2 PHE A 74 -0.516 -4.836 0.764 1.00 1.30 C ATOM 1137 CZ PHE A 74 -0.413 -4.215 1.992 1.00 2.12 C ATOM 0 H PHE A 74 -3.141 -10.347 1.572 1.00 42.44 H new ATOM 0 HA PHE A 74 -3.786 -7.917 2.828 1.00 31.01 H new ATOM 0 HB2 PHE A 74 -1.505 -8.807 2.507 1.00 33.15 H new ATOM 0 HB3 PHE A 74 -1.660 -8.630 0.770 1.00 33.15 H new ATOM 0 HD1 PHE A 74 -1.621 -6.681 3.943 1.00 2.44 H new ATOM 0 HD2 PHE A 74 -1.096 -6.601 -0.283 1.00 12.10 H new ATOM 0 HE1 PHE A 74 -0.735 -4.394 4.097 1.00 61.12 H new ATOM 0 HE2 PHE A 74 -0.204 -4.319 -0.131 1.00 1.30 H new ATOM 0 HZ PHE A 74 -0.020 -3.211 2.059 1.00 2.12 H new ATOM 1147 N GLU A 75 -4.096 -7.906 -0.462 1.00 12.03 N ATOM 1148 CA GLU A 75 -4.703 -7.214 -1.597 1.00 22.42 C ATOM 1149 C GLU A 75 -6.204 -7.025 -1.392 1.00 11.54 C ATOM 1150 O GLU A 75 -6.768 -6.001 -1.766 1.00 2.11 O ATOM 1151 CB GLU A 75 -4.456 -8.008 -2.884 1.00 45.11 C ATOM 1152 CG GLU A 75 -3.008 -8.001 -3.348 1.00 52.05 C ATOM 1153 CD GLU A 75 -2.638 -6.738 -4.097 1.00 62.34 C ATOM 1154 OE1 GLU A 75 -2.203 -5.760 -3.458 1.00 32.20 O ATOM 1155 OE2 GLU A 75 -2.778 -6.725 -5.341 1.00 20.15 O ATOM 0 H GLU A 75 -3.617 -8.771 -0.713 1.00 12.03 H new ATOM 0 HA GLU A 75 -4.242 -6.230 -1.678 1.00 22.42 H new ATOM 0 HB2 GLU A 75 -4.772 -9.040 -2.728 1.00 45.11 H new ATOM 0 HB3 GLU A 75 -5.083 -7.599 -3.677 1.00 45.11 H new ATOM 0 HG2 GLU A 75 -2.354 -8.110 -2.483 1.00 52.05 H new ATOM 0 HG3 GLU A 75 -2.833 -8.864 -3.991 1.00 52.05 H new ATOM 1162 N LEU A 76 -6.854 -8.018 -0.807 1.00 13.22 N ATOM 1163 CA LEU A 76 -8.280 -7.956 -0.562 1.00 64.35 C ATOM 1164 C LEU A 76 -8.609 -6.934 0.519 1.00 2.35 C ATOM 1165 O LEU A 76 -9.598 -6.202 0.417 1.00 14.42 O ATOM 1166 CB LEU A 76 -8.784 -9.341 -0.158 1.00 42.04 C ATOM 1167 CG LEU A 76 -9.354 -10.195 -1.293 1.00 34.20 C ATOM 1168 CD1 LEU A 76 -9.698 -11.585 -0.787 1.00 74.22 C ATOM 1169 CD2 LEU A 76 -10.583 -9.529 -1.895 1.00 5.13 C ATOM 0 H LEU A 76 -6.410 -8.881 -0.492 1.00 13.22 H new ATOM 0 HA LEU A 76 -8.779 -7.639 -1.478 1.00 64.35 H new ATOM 0 HB2 LEU A 76 -7.962 -9.886 0.305 1.00 42.04 H new ATOM 0 HB3 LEU A 76 -9.555 -9.220 0.603 1.00 42.04 H new ATOM 0 HG LEU A 76 -8.596 -10.287 -2.071 1.00 34.20 H new ATOM 0 HD11 LEU A 76 -10.102 -12.180 -1.606 1.00 74.22 H new ATOM 0 HD12 LEU A 76 -8.799 -12.064 -0.399 1.00 74.22 H new ATOM 0 HD13 LEU A 76 -10.440 -11.510 0.008 1.00 74.22 H new ATOM 0 HD21 LEU A 76 -10.975 -10.150 -2.701 1.00 5.13 H new ATOM 0 HD22 LEU A 76 -11.345 -9.409 -1.125 1.00 5.13 H new ATOM 0 HD23 LEU A 76 -10.310 -8.551 -2.291 1.00 5.13 H new ATOM 1181 N LYS A 77 -7.774 -6.881 1.548 1.00 53.43 N ATOM 1182 CA LYS A 77 -7.993 -5.961 2.653 1.00 12.04 C ATOM 1183 C LYS A 77 -7.732 -4.519 2.227 1.00 70.25 C ATOM 1184 O LYS A 77 -8.473 -3.619 2.608 1.00 24.25 O ATOM 1185 CB LYS A 77 -7.123 -6.330 3.854 1.00 12.43 C ATOM 1186 CG LYS A 77 -7.473 -7.677 4.466 1.00 23.41 C ATOM 1187 CD LYS A 77 -6.745 -7.892 5.784 1.00 20.10 C ATOM 1188 CE LYS A 77 -7.082 -9.240 6.402 1.00 13.53 C ATOM 1189 NZ LYS A 77 -8.542 -9.413 6.617 1.00 23.21 N ATOM 0 H LYS A 77 -6.941 -7.463 1.640 1.00 53.43 H new ATOM 0 HA LYS A 77 -9.038 -6.044 2.950 1.00 12.04 H new ATOM 0 HB2 LYS A 77 -6.078 -6.341 3.546 1.00 12.43 H new ATOM 0 HB3 LYS A 77 -7.223 -5.557 4.616 1.00 12.43 H new ATOM 0 HG2 LYS A 77 -8.549 -7.736 4.629 1.00 23.41 H new ATOM 0 HG3 LYS A 77 -7.212 -8.474 3.770 1.00 23.41 H new ATOM 0 HD2 LYS A 77 -5.669 -7.826 5.620 1.00 20.10 H new ATOM 0 HD3 LYS A 77 -7.011 -7.096 6.480 1.00 20.10 H new ATOM 0 HE2 LYS A 77 -6.716 -10.036 5.754 1.00 13.53 H new ATOM 0 HE3 LYS A 77 -6.562 -9.340 7.355 1.00 13.53 H new ATOM 0 HZ1 LYS A 77 -8.707 -10.235 7.232 1.00 23.21 H new ATOM 0 HZ2 LYS A 77 -8.930 -8.560 7.068 1.00 23.21 H new ATOM 0 HZ3 LYS A 77 -9.012 -9.565 5.702 1.00 23.21 H new ATOM 1203 N THR A 78 -6.697 -4.304 1.423 1.00 1.21 N ATOM 1204 CA THR A 78 -6.382 -2.965 0.940 1.00 12.21 C ATOM 1205 C THR A 78 -7.492 -2.440 0.035 1.00 41.44 C ATOM 1206 O THR A 78 -7.867 -1.268 0.113 1.00 1.11 O ATOM 1207 CB THR A 78 -5.043 -2.935 0.182 1.00 32.04 C ATOM 1208 OG1 THR A 78 -5.026 -3.950 -0.829 1.00 3.32 O ATOM 1209 CG2 THR A 78 -3.875 -3.134 1.133 1.00 2.05 C ATOM 0 H THR A 78 -6.066 -5.034 1.094 1.00 1.21 H new ATOM 0 HA THR A 78 -6.297 -2.321 1.815 1.00 12.21 H new ATOM 0 HB THR A 78 -4.941 -1.957 -0.288 1.00 32.04 H new ATOM 0 HG1 THR A 78 -5.830 -4.505 -0.749 1.00 3.32 H new ATOM 0 HG21 THR A 78 -2.941 -3.109 0.572 1.00 2.05 H new ATOM 0 HG22 THR A 78 -3.873 -2.338 1.878 1.00 2.05 H new ATOM 0 HG23 THR A 78 -3.972 -4.098 1.632 1.00 2.05 H new ATOM 1217 N ARG A 79 -8.017 -3.316 -0.816 1.00 54.33 N ATOM 1218 CA ARG A 79 -9.134 -2.989 -1.679 1.00 5.34 C ATOM 1219 C ARG A 79 -10.362 -2.583 -0.873 1.00 73.22 C ATOM 1220 O ARG A 79 -11.029 -1.601 -1.190 1.00 41.13 O ATOM 1221 CB ARG A 79 -9.451 -4.191 -2.562 1.00 11.41 C ATOM 1222 CG ARG A 79 -8.495 -4.342 -3.728 1.00 25.12 C ATOM 1223 CD ARG A 79 -8.799 -5.576 -4.563 1.00 24.23 C ATOM 1224 NE ARG A 79 -8.255 -6.790 -3.963 1.00 33.24 N ATOM 1225 CZ ARG A 79 -8.291 -7.992 -4.540 1.00 22.42 C ATOM 1226 NH1 ARG A 79 -8.935 -8.164 -5.686 1.00 35.04 N ATOM 1227 NH2 ARG A 79 -7.698 -9.028 -3.959 1.00 55.23 N ATOM 0 H ARG A 79 -7.676 -4.271 -0.923 1.00 54.33 H new ATOM 0 HA ARG A 79 -8.857 -2.137 -2.300 1.00 5.34 H new ATOM 0 HB2 ARG A 79 -9.422 -5.097 -1.956 1.00 11.41 H new ATOM 0 HB3 ARG A 79 -10.468 -4.096 -2.944 1.00 11.41 H new ATOM 0 HG2 ARG A 79 -8.551 -3.455 -4.359 1.00 25.12 H new ATOM 0 HG3 ARG A 79 -7.473 -4.402 -3.353 1.00 25.12 H new ATOM 0 HD2 ARG A 79 -9.878 -5.680 -4.677 1.00 24.23 H new ATOM 0 HD3 ARG A 79 -8.384 -5.448 -5.563 1.00 24.23 H new ATOM 0 HE ARG A 79 -7.819 -6.714 -3.044 1.00 33.24 H new ATOM 0 HH11 ARG A 79 -9.405 -7.375 -6.130 1.00 35.04 H new ATOM 0 HH12 ARG A 79 -8.960 -9.085 -6.124 1.00 35.04 H new ATOM 0 HH21 ARG A 79 -7.214 -8.906 -3.070 1.00 55.23 H new ATOM 0 HH22 ARG A 79 -7.727 -9.946 -4.402 1.00 55.23 H new ATOM 1241 N SER A 80 -10.648 -3.340 0.174 1.00 44.04 N ATOM 1242 CA SER A 80 -11.795 -3.080 1.020 1.00 22.12 C ATOM 1243 C SER A 80 -11.567 -1.856 1.911 1.00 12.14 C ATOM 1244 O SER A 80 -12.521 -1.227 2.376 1.00 74.23 O ATOM 1245 CB SER A 80 -12.068 -4.317 1.869 1.00 10.32 C ATOM 1246 OG SER A 80 -12.276 -5.460 1.051 1.00 4.12 O ATOM 0 H SER A 80 -10.093 -4.147 0.458 1.00 44.04 H new ATOM 0 HA SER A 80 -12.658 -2.863 0.391 1.00 22.12 H new ATOM 0 HB2 SER A 80 -11.228 -4.494 2.541 1.00 10.32 H new ATOM 0 HB3 SER A 80 -12.945 -4.148 2.493 1.00 10.32 H new ATOM 0 HG SER A 80 -11.411 -5.816 0.760 1.00 4.12 H new ATOM 1252 N LEU A 81 -10.300 -1.523 2.135 1.00 71.24 N ATOM 1253 CA LEU A 81 -9.927 -0.390 2.953 1.00 11.32 C ATOM 1254 C LEU A 81 -10.052 0.905 2.158 1.00 53.13 C ATOM 1255 O LEU A 81 -10.505 1.925 2.680 1.00 54.44 O ATOM 1256 CB LEU A 81 -8.493 -0.590 3.446 1.00 43.43 C ATOM 1257 CG LEU A 81 -7.766 0.679 3.858 1.00 71.04 C ATOM 1258 CD1 LEU A 81 -8.340 1.248 5.150 1.00 13.31 C ATOM 1259 CD2 LEU A 81 -6.277 0.415 3.995 1.00 31.32 C ATOM 0 H LEU A 81 -9.507 -2.036 1.751 1.00 71.24 H new ATOM 0 HA LEU A 81 -10.597 -0.317 3.810 1.00 11.32 H new ATOM 0 HB2 LEU A 81 -8.510 -1.272 4.296 1.00 43.43 H new ATOM 0 HB3 LEU A 81 -7.920 -1.078 2.658 1.00 43.43 H new ATOM 0 HG LEU A 81 -7.913 1.424 3.076 1.00 71.04 H new ATOM 0 HD11 LEU A 81 -7.800 2.155 5.420 1.00 13.31 H new ATOM 0 HD12 LEU A 81 -9.395 1.483 5.007 1.00 13.31 H new ATOM 0 HD13 LEU A 81 -8.237 0.513 5.949 1.00 13.31 H new ATOM 0 HD21 LEU A 81 -5.770 1.334 4.291 1.00 31.32 H new ATOM 0 HD22 LEU A 81 -6.111 -0.351 4.753 1.00 31.32 H new ATOM 0 HD23 LEU A 81 -5.879 0.072 3.040 1.00 31.32 H new ATOM 1271 N ALA A 82 -9.667 0.854 0.889 1.00 64.02 N ATOM 1272 CA ALA A 82 -9.760 2.014 0.014 1.00 1.33 C ATOM 1273 C ALA A 82 -11.189 2.178 -0.486 1.00 73.30 C ATOM 1274 O ALA A 82 -11.477 2.006 -1.673 1.00 3.01 O ATOM 1275 CB ALA A 82 -8.787 1.885 -1.149 1.00 74.12 C ATOM 0 H ALA A 82 -9.287 0.019 0.443 1.00 64.02 H new ATOM 0 HA ALA A 82 -9.489 2.905 0.580 1.00 1.33 H new ATOM 0 HB1 ALA A 82 -8.871 2.761 -1.792 1.00 74.12 H new ATOM 0 HB2 ALA A 82 -7.769 1.812 -0.766 1.00 74.12 H new ATOM 0 HB3 ALA A 82 -9.023 0.989 -1.723 1.00 74.12 H new ATOM 1281 N ARG A 83 -12.083 2.484 0.442 1.00 63.22 N ATOM 1282 CA ARG A 83 -13.502 2.584 0.150 1.00 72.53 C ATOM 1283 C ARG A 83 -14.217 3.318 1.287 1.00 14.12 C ATOM 1284 O ARG A 83 -13.647 3.513 2.362 1.00 22.33 O ATOM 1285 CB ARG A 83 -14.074 1.175 -0.042 1.00 13.32 C ATOM 1286 CG ARG A 83 -15.526 1.131 -0.483 1.00 2.33 C ATOM 1287 CD ARG A 83 -15.947 -0.289 -0.814 1.00 23.13 C ATOM 1288 NE ARG A 83 -15.613 -1.220 0.264 1.00 31.31 N ATOM 1289 CZ ARG A 83 -15.989 -2.495 0.288 1.00 13.21 C ATOM 1290 NH1 ARG A 83 -16.753 -2.984 -0.682 1.00 74.35 N ATOM 1291 NH2 ARG A 83 -15.615 -3.280 1.292 1.00 64.31 N ATOM 0 H ARG A 83 -11.844 2.669 1.416 1.00 63.22 H new ATOM 0 HA ARG A 83 -13.655 3.153 -0.767 1.00 72.53 H new ATOM 0 HB2 ARG A 83 -13.469 0.650 -0.781 1.00 13.32 H new ATOM 0 HB3 ARG A 83 -13.977 0.628 0.896 1.00 13.32 H new ATOM 0 HG2 ARG A 83 -16.163 1.529 0.307 1.00 2.33 H new ATOM 0 HG3 ARG A 83 -15.665 1.769 -1.356 1.00 2.33 H new ATOM 0 HD2 ARG A 83 -17.021 -0.316 -0.998 1.00 23.13 H new ATOM 0 HD3 ARG A 83 -15.458 -0.608 -1.734 1.00 23.13 H new ATOM 0 HE ARG A 83 -15.058 -0.870 1.045 1.00 31.31 H new ATOM 0 HH11 ARG A 83 -17.053 -2.381 -1.448 1.00 74.35 H new ATOM 0 HH12 ARG A 83 -17.040 -3.963 -0.661 1.00 74.35 H new ATOM 0 HH21 ARG A 83 -15.039 -2.905 2.045 1.00 64.31 H new ATOM 0 HH22 ARG A 83 -15.904 -4.258 1.310 1.00 64.31 H new ATOM 1305 N LEU A 84 -15.463 3.711 1.054 1.00 22.51 N ATOM 1306 CA LEU A 84 -16.238 4.455 2.044 1.00 25.32 C ATOM 1307 C LEU A 84 -16.879 3.527 3.079 1.00 22.45 C ATOM 1308 O LEU A 84 -17.990 3.782 3.557 1.00 64.31 O ATOM 1309 CB LEU A 84 -17.318 5.276 1.345 1.00 33.32 C ATOM 1310 CG LEU A 84 -16.801 6.318 0.349 1.00 4.13 C ATOM 1311 CD1 LEU A 84 -17.959 7.072 -0.280 1.00 53.50 C ATOM 1312 CD2 LEU A 84 -15.842 7.284 1.031 1.00 3.40 C ATOM 0 H LEU A 84 -15.962 3.527 0.184 1.00 22.51 H new ATOM 0 HA LEU A 84 -15.553 5.119 2.572 1.00 25.32 H new ATOM 0 HB2 LEU A 84 -17.987 4.595 0.819 1.00 33.32 H new ATOM 0 HB3 LEU A 84 -17.913 5.785 2.103 1.00 33.32 H new ATOM 0 HG LEU A 84 -16.258 5.798 -0.440 1.00 4.13 H new ATOM 0 HD11 LEU A 84 -17.574 7.808 -0.985 1.00 53.50 H new ATOM 0 HD12 LEU A 84 -18.607 6.371 -0.806 1.00 53.50 H new ATOM 0 HD13 LEU A 84 -18.529 7.579 0.499 1.00 53.50 H new ATOM 0 HD21 LEU A 84 -15.486 8.016 0.306 1.00 3.40 H new ATOM 0 HD22 LEU A 84 -16.358 7.798 1.842 1.00 3.40 H new ATOM 0 HD23 LEU A 84 -14.994 6.731 1.434 1.00 3.40 H new ATOM 1324 N GLU A 85 -16.148 2.473 3.433 1.00 51.42 N ATOM 1325 CA GLU A 85 -16.579 1.484 4.427 1.00 22.25 C ATOM 1326 C GLU A 85 -17.753 0.636 3.940 1.00 53.50 C ATOM 1327 O GLU A 85 -18.280 0.839 2.844 1.00 12.14 O ATOM 1328 CB GLU A 85 -16.967 2.156 5.747 1.00 22.11 C ATOM 1329 CG GLU A 85 -15.821 2.825 6.480 1.00 50.12 C ATOM 1330 CD GLU A 85 -16.292 3.512 7.743 1.00 12.32 C ATOM 1331 OE1 GLU A 85 -16.500 2.817 8.761 1.00 22.33 O ATOM 1332 OE2 GLU A 85 -16.497 4.743 7.715 1.00 5.23 O ATOM 0 H GLU A 85 -15.229 2.276 3.036 1.00 51.42 H new ATOM 0 HA GLU A 85 -15.723 0.828 4.585 1.00 22.25 H new ATOM 0 HB2 GLU A 85 -17.736 2.902 5.547 1.00 22.11 H new ATOM 0 HB3 GLU A 85 -17.412 1.407 6.403 1.00 22.11 H new ATOM 0 HG2 GLU A 85 -15.065 2.081 6.730 1.00 50.12 H new ATOM 0 HG3 GLU A 85 -15.345 3.554 5.824 1.00 50.12 H new ATOM 1339 N HIS A 86 -18.137 -0.325 4.788 1.00 52.41 N ATOM 1340 CA HIS A 86 -19.318 -1.172 4.583 1.00 40.43 C ATOM 1341 C HIS A 86 -19.181 -2.058 3.345 1.00 21.53 C ATOM 1342 O HIS A 86 -18.152 -2.038 2.668 1.00 50.15 O ATOM 1343 CB HIS A 86 -20.594 -0.324 4.485 1.00 34.03 C ATOM 1344 CG HIS A 86 -20.740 0.672 5.594 1.00 60.05 C ATOM 1345 ND1 HIS A 86 -21.184 0.348 6.855 1.00 52.43 N ATOM 1346 CD2 HIS A 86 -20.468 1.995 5.624 1.00 71.53 C ATOM 1347 CE1 HIS A 86 -21.177 1.430 7.613 1.00 61.14 C ATOM 1348 NE2 HIS A 86 -20.747 2.445 6.890 1.00 33.24 N ATOM 0 H HIS A 86 -17.630 -0.539 5.647 1.00 52.41 H new ATOM 0 HA HIS A 86 -19.393 -1.824 5.453 1.00 40.43 H new ATOM 0 HB2 HIS A 86 -20.597 0.204 3.531 1.00 34.03 H new ATOM 0 HB3 HIS A 86 -21.460 -0.985 4.486 1.00 34.03 H new ATOM 0 HD2 HIS A 86 -20.098 2.590 4.802 1.00 71.53 H new ATOM 0 HE1 HIS A 86 -21.474 1.475 8.650 1.00 61.14 H new ATOM 0 HE2 HIS A 86 -20.640 3.405 7.217 1.00 33.24 H new ATOM 1357 N HIS A 87 -20.219 -2.853 3.086 1.00 62.12 N ATOM 1358 CA HIS A 87 -20.296 -3.707 1.898 1.00 72.42 C ATOM 1359 C HIS A 87 -19.206 -4.781 1.922 1.00 51.54 C ATOM 1360 O HIS A 87 -18.157 -4.646 1.291 1.00 11.05 O ATOM 1361 CB HIS A 87 -20.207 -2.864 0.618 1.00 14.14 C ATOM 1362 CG HIS A 87 -20.659 -3.582 -0.619 1.00 43.10 C ATOM 1363 ND1 HIS A 87 -21.906 -3.399 -1.177 1.00 72.32 N ATOM 1364 CD2 HIS A 87 -20.022 -4.474 -1.413 1.00 53.01 C ATOM 1365 CE1 HIS A 87 -22.016 -4.149 -2.258 1.00 10.40 C ATOM 1366 NE2 HIS A 87 -20.887 -4.812 -2.425 1.00 51.40 N ATOM 0 H HIS A 87 -21.034 -2.924 3.696 1.00 62.12 H new ATOM 0 HA HIS A 87 -21.262 -4.212 1.906 1.00 72.42 H new ATOM 0 HB2 HIS A 87 -20.810 -1.965 0.745 1.00 14.14 H new ATOM 0 HB3 HIS A 87 -19.176 -2.539 0.480 1.00 14.14 H new ATOM 0 HD2 HIS A 87 -19.019 -4.850 -1.276 1.00 53.01 H new ATOM 0 HE1 HIS A 87 -22.884 -4.210 -2.898 1.00 10.40 H new ATOM 0 HE2 HIS A 87 -20.689 -5.467 -3.181 1.00 51.40 H new ATOM 1375 N HIS A 88 -19.459 -5.847 2.662 1.00 61.42 N ATOM 1376 CA HIS A 88 -18.486 -6.921 2.808 1.00 1.34 C ATOM 1377 C HIS A 88 -19.188 -8.276 2.764 1.00 52.33 C ATOM 1378 O HIS A 88 -19.102 -9.064 3.705 1.00 60.54 O ATOM 1379 CB HIS A 88 -17.707 -6.745 4.123 1.00 3.02 C ATOM 1380 CG HIS A 88 -16.608 -7.746 4.346 1.00 23.14 C ATOM 1381 ND1 HIS A 88 -16.098 -8.023 5.593 1.00 43.53 N ATOM 1382 CD2 HIS A 88 -15.925 -8.533 3.482 1.00 73.12 C ATOM 1383 CE1 HIS A 88 -15.153 -8.936 5.487 1.00 64.30 C ATOM 1384 NE2 HIS A 88 -15.028 -9.268 4.216 1.00 24.21 N ATOM 0 H HIS A 88 -20.330 -5.994 3.172 1.00 61.42 H new ATOM 0 HA HIS A 88 -17.777 -6.880 1.981 1.00 1.34 H new ATOM 0 HB2 HIS A 88 -17.276 -5.744 4.142 1.00 3.02 H new ATOM 0 HB3 HIS A 88 -18.409 -6.806 4.955 1.00 3.02 H new ATOM 0 HD2 HIS A 88 -16.061 -8.575 2.411 1.00 73.12 H new ATOM 0 HE1 HIS A 88 -14.577 -9.344 6.304 1.00 64.30 H new ATOM 0 HE2 HIS A 88 -14.374 -9.956 3.842 1.00 24.21 H new ATOM 1393 N HIS A 89 -19.890 -8.525 1.661 1.00 43.43 N ATOM 1394 CA HIS A 89 -20.613 -9.778 1.454 1.00 43.31 C ATOM 1395 C HIS A 89 -21.602 -10.002 2.597 1.00 13.30 C ATOM 1396 O HIS A 89 -21.313 -10.723 3.554 1.00 32.04 O ATOM 1397 CB HIS A 89 -19.632 -10.956 1.344 1.00 35.15 C ATOM 1398 CG HIS A 89 -20.216 -12.182 0.710 1.00 33.45 C ATOM 1399 ND1 HIS A 89 -19.849 -12.617 -0.545 1.00 21.15 N ATOM 1400 CD2 HIS A 89 -21.131 -13.073 1.162 1.00 22.33 C ATOM 1401 CE1 HIS A 89 -20.514 -13.717 -0.839 1.00 33.21 C ATOM 1402 NE2 HIS A 89 -21.295 -14.016 0.178 1.00 0.35 N ATOM 0 H HIS A 89 -19.974 -7.866 0.887 1.00 43.43 H new ATOM 0 HA HIS A 89 -21.169 -9.714 0.518 1.00 43.31 H new ATOM 0 HB2 HIS A 89 -18.764 -10.639 0.765 1.00 35.15 H new ATOM 0 HB3 HIS A 89 -19.274 -11.211 2.341 1.00 35.15 H new ATOM 0 HD2 HIS A 89 -21.636 -13.046 2.116 1.00 22.33 H new ATOM 0 HE1 HIS A 89 -20.432 -14.278 -1.758 1.00 33.21 H new ATOM 0 HE2 HIS A 89 -21.921 -14.819 0.227 1.00 0.35 H new ATOM 1411 N HIS A 90 -22.756 -9.365 2.498 1.00 71.21 N ATOM 1412 CA HIS A 90 -23.718 -9.355 3.590 1.00 32.13 C ATOM 1413 C HIS A 90 -24.356 -10.725 3.792 1.00 45.51 C ATOM 1414 O HIS A 90 -24.839 -11.348 2.846 1.00 41.13 O ATOM 1415 CB HIS A 90 -24.806 -8.307 3.339 1.00 14.01 C ATOM 1416 CG HIS A 90 -25.840 -8.239 4.426 1.00 43.44 C ATOM 1417 ND1 HIS A 90 -27.067 -8.859 4.338 1.00 0.52 N ATOM 1418 CD2 HIS A 90 -25.817 -7.631 5.636 1.00 61.35 C ATOM 1419 CE1 HIS A 90 -27.751 -8.636 5.442 1.00 64.02 C ATOM 1420 NE2 HIS A 90 -27.018 -7.892 6.246 1.00 73.51 N ATOM 0 H HIS A 90 -23.051 -8.846 1.671 1.00 71.21 H new ATOM 0 HA HIS A 90 -23.174 -9.098 4.499 1.00 32.13 H new ATOM 0 HB2 HIS A 90 -24.338 -7.328 3.233 1.00 14.01 H new ATOM 0 HB3 HIS A 90 -25.300 -8.528 2.393 1.00 14.01 H new ATOM 0 HD2 HIS A 90 -25.004 -7.049 6.045 1.00 61.35 H new ATOM 0 HE1 HIS A 90 -28.745 -9.001 5.653 1.00 64.02 H new ATOM 0 HE2 HIS A 90 -27.298 -7.564 7.170 1.00 73.51 H new ATOM 1429 N HIS A 91 -24.342 -11.177 5.036 1.00 23.31 N ATOM 1430 CA HIS A 91 -25.024 -12.397 5.430 1.00 55.10 C ATOM 1431 C HIS A 91 -25.590 -12.213 6.829 1.00 10.42 C ATOM 1432 O HIS A 91 -26.817 -12.335 7.000 1.00 37.47 O ATOM 1433 CB HIS A 91 -24.070 -13.597 5.397 1.00 23.21 C ATOM 1434 CG HIS A 91 -24.745 -14.915 5.654 1.00 15.44 C ATOM 1435 ND1 HIS A 91 -24.816 -15.922 4.713 1.00 72.31 N ATOM 1436 CD2 HIS A 91 -25.368 -15.395 6.756 1.00 54.23 C ATOM 1437 CE1 HIS A 91 -25.457 -16.957 5.223 1.00 50.31 C ATOM 1438 NE2 HIS A 91 -25.800 -16.661 6.461 1.00 51.44 N ATOM 1439 OXT HIS A 91 -24.803 -11.908 7.746 1.00 37.47 O ATOM 0 H HIS A 91 -23.857 -10.707 5.800 1.00 23.31 H new ATOM 0 HA HIS A 91 -25.832 -12.597 4.726 1.00 55.10 H new ATOM 0 HB2 HIS A 91 -23.581 -13.634 4.424 1.00 23.21 H new ATOM 0 HB3 HIS A 91 -23.288 -13.448 6.142 1.00 23.21 H new ATOM 0 HD2 HIS A 91 -25.500 -14.876 7.694 1.00 54.23 H new ATOM 0 HE1 HIS A 91 -25.665 -17.886 4.714 1.00 50.31 H new ATOM 0 HE2 HIS A 91 -26.306 -17.276 7.098 1.00 51.44 H new TER 1448 HIS A 91