USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 933 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= -0.153 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.129 USER MOD Set 2.2: A 20 LYS NZ :NH3+ 164:sc= 0.135 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0198) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -179:sc= -0.254 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.25 K(o=-1.3,f=-1.8!) USER MOD Single : A 44 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.2!) USER MOD Single : A 50 ASN : amide:sc= -0.288 K(o=-0.29,f=-5.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 81 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.71) USER MOD Single : A 84 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-1.7) USER MOD Single : A 87 TYR OH : rot 150:sc= -1.35! USER MOD Single : A 88 MET CE :methyl -157:sc= -0.146 (180deg=-1.44) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 109 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 111 LYS NZ :NH3+ -147:sc= -0.285 (180deg=-1.39) USER MOD Single : A 112 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.078) USER MOD Single : A 115 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -1.745 -2.670 -4.585 1.00 74.53 N ATOM 41 CA GLU A 4 -2.715 -2.467 -5.655 1.00 44.43 C ATOM 42 C GLU A 4 -3.385 -3.783 -6.040 1.00 72.00 C ATOM 43 O GLU A 4 -4.539 -3.803 -6.469 1.00 41.22 O ATOM 44 CB GLU A 4 -2.036 -1.850 -6.879 1.00 55.41 C ATOM 45 CG GLU A 4 -2.919 -0.878 -7.642 1.00 51.52 C ATOM 46 CD GLU A 4 -3.013 0.476 -6.968 1.00 0.52 C ATOM 47 OE1 GLU A 4 -2.036 0.877 -6.301 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -4.064 1.137 -7.108 1.00 44.14 O ATOM 0 HA GLU A 4 -3.481 -1.783 -5.290 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.132 -1.332 -6.559 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -1.724 -2.649 -7.552 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -2.526 -0.751 -8.651 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -3.919 -1.301 -7.740 1.00 51.52 H new ATOM 55 N LEU A 5 -2.652 -4.880 -5.884 1.00 43.24 N ATOM 56 CA LEU A 5 -3.174 -6.202 -6.216 1.00 13.32 C ATOM 57 C LEU A 5 -4.430 -6.511 -5.407 1.00 63.44 C ATOM 58 O LEU A 5 -5.357 -7.152 -5.901 1.00 51.25 O ATOM 59 CB LEU A 5 -2.111 -7.271 -5.958 1.00 63.32 C ATOM 60 CG LEU A 5 -1.906 -7.674 -4.498 1.00 2.52 C ATOM 61 CD1 LEU A 5 -2.817 -8.835 -4.131 1.00 32.23 C ATOM 62 CD2 LEU A 5 -0.450 -8.035 -4.244 1.00 74.41 C ATOM 0 H LEU A 5 -1.695 -4.881 -5.530 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.436 -6.207 -7.274 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.375 -8.163 -6.527 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.160 -6.912 -6.352 1.00 63.32 H new ATOM 0 HG LEU A 5 -2.164 -6.824 -3.867 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -2.657 -9.108 -3.088 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -3.857 -8.541 -4.273 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -2.591 -9.690 -4.768 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -0.323 -8.319 -3.199 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.165 -8.870 -4.885 1.00 74.41 H new ATOM 0 HD23 LEU A 5 0.182 -7.175 -4.466 1.00 74.41 H new ATOM 74 N LEU A 6 -4.452 -6.049 -4.161 1.00 10.52 N ATOM 75 CA LEU A 6 -5.596 -6.273 -3.283 1.00 13.21 C ATOM 76 C LEU A 6 -6.890 -5.811 -3.944 1.00 51.12 C ATOM 77 O LEU A 6 -7.919 -6.481 -3.855 1.00 73.12 O ATOM 78 CB LEU A 6 -5.396 -5.537 -1.956 1.00 44.03 C ATOM 79 CG LEU A 6 -4.212 -5.996 -1.106 1.00 1.52 C ATOM 80 CD1 LEU A 6 -3.854 -4.937 -0.075 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.525 -7.320 -0.426 1.00 22.10 C ATOM 0 H LEU A 6 -3.692 -5.518 -3.736 1.00 10.52 H new ATOM 0 HA LEU A 6 -5.671 -7.343 -3.091 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.275 -4.475 -2.167 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.305 -5.643 -1.364 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.353 -6.141 -1.761 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.009 -5.281 0.521 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.587 -4.010 -0.583 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -4.710 -4.760 0.577 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.671 -7.631 0.175 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.397 -7.202 0.217 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.732 -8.077 -1.182 1.00 22.10 H new ATOM 93 N ASP A 7 -6.831 -4.664 -4.612 1.00 4.52 N ATOM 94 CA ASP A 7 -7.998 -4.113 -5.292 1.00 25.12 C ATOM 95 C ASP A 7 -8.440 -5.023 -6.434 1.00 33.21 C ATOM 96 O ASP A 7 -9.627 -5.118 -6.741 1.00 24.02 O ATOM 97 CB ASP A 7 -7.689 -2.715 -5.828 1.00 34.32 C ATOM 98 CG ASP A 7 -8.934 -1.988 -6.298 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.633 -2.520 -7.185 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -9.209 -0.886 -5.778 1.00 34.22 O ATOM 0 H ASP A 7 -5.987 -4.097 -4.697 1.00 4.52 H new ATOM 0 HA ASP A 7 -8.811 -4.045 -4.569 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.202 -2.129 -5.048 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -6.983 -2.794 -6.655 1.00 34.32 H new ATOM 105 N ALA A 8 -7.475 -5.688 -7.061 1.00 74.43 N ATOM 106 CA ALA A 8 -7.764 -6.590 -8.169 1.00 44.45 C ATOM 107 C ALA A 8 -8.789 -7.645 -7.765 1.00 72.11 C ATOM 108 O ALA A 8 -9.777 -7.867 -8.467 1.00 71.43 O ATOM 109 CB ALA A 8 -6.486 -7.255 -8.657 1.00 72.11 C ATOM 0 H ALA A 8 -6.486 -5.619 -6.820 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.187 -6.001 -8.982 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.718 -7.926 -9.484 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.785 -6.492 -8.994 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.039 -7.825 -7.843 1.00 72.11 H new ATOM 115 N LEU A 9 -8.549 -8.291 -6.630 1.00 65.10 N ATOM 116 CA LEU A 9 -9.452 -9.324 -6.132 1.00 30.43 C ATOM 117 C LEU A 9 -10.866 -8.778 -5.971 1.00 2.51 C ATOM 118 O LEU A 9 -11.834 -9.382 -6.439 1.00 14.11 O ATOM 119 CB LEU A 9 -8.947 -9.868 -4.793 1.00 54.45 C ATOM 120 CG LEU A 9 -7.479 -10.291 -4.752 1.00 52.20 C ATOM 121 CD1 LEU A 9 -6.856 -9.927 -3.413 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.347 -11.785 -5.014 1.00 32.24 C ATOM 0 H LEU A 9 -7.737 -8.119 -6.037 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.476 -10.134 -6.861 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.106 -9.106 -4.031 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.560 -10.727 -4.518 1.00 54.45 H new ATOM 0 HG LEU A 9 -6.944 -9.755 -5.537 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -5.811 -10.236 -3.402 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -6.918 -8.849 -3.264 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.393 -10.435 -2.612 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.295 -12.069 -4.981 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -7.896 -12.338 -4.252 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.755 -12.019 -5.997 1.00 32.24 H new ATOM 134 N THR A 10 -10.982 -7.632 -5.309 1.00 42.42 N ATOM 135 CA THR A 10 -12.279 -7.004 -5.088 1.00 45.22 C ATOM 136 C THR A 10 -13.048 -6.855 -6.396 1.00 33.22 C ATOM 137 O THR A 10 -14.240 -7.157 -6.463 1.00 71.53 O ATOM 138 CB THR A 10 -12.128 -5.617 -4.435 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.476 -5.743 -3.165 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.484 -4.955 -4.251 1.00 62.04 C ATOM 0 H THR A 10 -10.193 -7.119 -4.916 1.00 42.42 H new ATOM 0 HA THR A 10 -12.835 -7.656 -4.415 1.00 45.22 H new ATOM 0 HB THR A 10 -11.524 -4.993 -5.094 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.382 -4.857 -2.756 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.352 -3.977 -3.788 1.00 62.04 H new ATOM 0 HG22 THR A 10 -13.965 -4.835 -5.222 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.109 -5.578 -3.611 1.00 62.04 H new ATOM 148 N ILE A 11 -12.359 -6.390 -7.432 1.00 32.10 N ATOM 149 CA ILE A 11 -12.978 -6.204 -8.739 1.00 21.23 C ATOM 150 C ILE A 11 -13.647 -7.488 -9.218 1.00 62.33 C ATOM 151 O ILE A 11 -14.681 -7.450 -9.887 1.00 65.32 O ATOM 152 CB ILE A 11 -11.948 -5.751 -9.791 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.307 -4.427 -9.371 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.608 -5.617 -11.154 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.886 -4.261 -9.862 1.00 14.01 C ATOM 0 H ILE A 11 -11.372 -6.135 -7.392 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.732 -5.426 -8.623 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.165 -6.506 -9.861 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.912 -3.603 -9.750 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.318 -4.356 -8.283 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -11.868 -5.296 -11.887 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.022 -6.580 -11.454 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.408 -4.879 -11.100 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.495 -3.300 -9.527 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.267 -5.064 -9.462 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -9.871 -4.299 -10.951 1.00 14.01 H new ATOM 167 N LEU A 12 -13.052 -8.624 -8.871 1.00 75.15 N ATOM 168 CA LEU A 12 -13.590 -9.921 -9.264 1.00 35.45 C ATOM 169 C LEU A 12 -14.871 -10.234 -8.496 1.00 52.41 C ATOM 170 O LEU A 12 -15.784 -10.866 -9.026 1.00 23.30 O ATOM 171 CB LEU A 12 -12.555 -11.020 -9.021 1.00 52.11 C ATOM 172 CG LEU A 12 -11.139 -10.730 -9.518 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.237 -11.934 -9.299 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.159 -10.337 -10.989 1.00 60.44 C ATOM 0 H LEU A 12 -12.196 -8.673 -8.318 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.826 -9.882 -10.328 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.509 -11.218 -7.950 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.906 -11.934 -9.499 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.739 -9.894 -8.944 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.234 -11.707 -9.659 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.196 -12.169 -8.235 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.634 -12.790 -9.845 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.142 -10.134 -11.325 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.580 -11.152 -11.578 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.769 -9.443 -11.118 1.00 60.44 H new ATOM 186 N GLU A 13 -14.930 -9.785 -7.246 1.00 2.20 N ATOM 187 CA GLU A 13 -16.100 -10.017 -6.408 1.00 73.44 C ATOM 188 C GLU A 13 -17.354 -9.434 -7.049 1.00 24.32 C ATOM 189 O GLU A 13 -18.453 -9.968 -6.892 1.00 32.15 O ATOM 190 CB GLU A 13 -15.890 -9.404 -5.022 1.00 53.14 C ATOM 191 CG GLU A 13 -16.647 -10.121 -3.917 1.00 32.32 C ATOM 192 CD GLU A 13 -16.675 -9.335 -2.622 1.00 22.03 C ATOM 193 OE1 GLU A 13 -16.997 -8.129 -2.667 1.00 5.24 O ATOM 194 OE2 GLU A 13 -16.374 -9.923 -1.562 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.183 -9.260 -6.792 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.234 -11.094 -6.306 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.826 -9.414 -4.787 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -16.201 -8.360 -5.045 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.669 -10.309 -4.245 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.186 -11.092 -3.738 1.00 32.32 H new ATOM 201 N LYS A 14 -17.184 -8.333 -7.775 1.00 41.41 N ATOM 202 CA LYS A 14 -18.301 -7.675 -8.442 1.00 53.15 C ATOM 203 C LYS A 14 -19.087 -8.667 -9.294 1.00 32.03 C ATOM 204 O LYS A 14 -20.311 -8.591 -9.379 1.00 33.02 O ATOM 205 CB LYS A 14 -17.794 -6.526 -9.316 1.00 52.04 C ATOM 206 CG LYS A 14 -18.828 -5.439 -9.552 1.00 23.23 C ATOM 207 CD LYS A 14 -19.681 -5.737 -10.774 1.00 74.34 C ATOM 208 CE LYS A 14 -19.068 -5.152 -12.038 1.00 0.54 C ATOM 209 NZ LYS A 14 -19.929 -5.382 -13.231 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.282 -7.878 -7.916 1.00 41.41 H new ATOM 0 HA LYS A 14 -18.965 -7.275 -7.676 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -16.915 -6.084 -8.846 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -17.474 -6.926 -10.278 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -19.468 -5.347 -8.674 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -18.326 -4.480 -9.682 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -19.792 -6.815 -10.888 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -20.681 -5.327 -10.630 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -18.912 -4.082 -11.904 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -18.088 -5.598 -12.206 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -19.476 -4.968 -14.071 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -20.057 -6.404 -13.375 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -20.856 -4.934 -13.082 1.00 44.11 H new ATOM 223 N GLU A 15 -18.374 -9.598 -9.919 1.00 31.13 N ATOM 224 CA GLU A 15 -19.005 -10.606 -10.762 1.00 10.21 C ATOM 225 C GLU A 15 -19.932 -11.499 -9.942 1.00 74.31 C ATOM 226 O GLU A 15 -20.061 -11.333 -8.728 1.00 23.34 O ATOM 227 CB GLU A 15 -17.944 -11.458 -11.460 1.00 45.25 C ATOM 228 CG GLU A 15 -17.476 -10.883 -12.786 1.00 55.15 C ATOM 229 CD GLU A 15 -18.620 -10.634 -13.750 1.00 24.20 C ATOM 230 OE1 GLU A 15 -19.215 -11.620 -14.232 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -18.920 -9.453 -14.022 1.00 1.53 O ATOM 0 H GLU A 15 -17.359 -9.675 -9.857 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.599 -10.090 -11.516 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.085 -11.567 -10.798 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -18.346 -12.457 -11.629 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -16.948 -9.947 -12.606 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -16.763 -11.569 -13.244 1.00 55.15 H new ATOM 238 N LYS A 16 -20.577 -12.447 -10.613 1.00 54.02 N ATOM 239 CA LYS A 16 -21.492 -13.369 -9.948 1.00 15.32 C ATOM 240 C LYS A 16 -20.981 -14.803 -10.038 1.00 60.10 C ATOM 241 O LYS A 16 -20.694 -15.302 -11.124 1.00 20.10 O ATOM 242 CB LYS A 16 -22.886 -13.273 -10.572 1.00 20.41 C ATOM 243 CG LYS A 16 -23.905 -14.195 -9.925 1.00 32.52 C ATOM 244 CD LYS A 16 -24.190 -13.792 -8.487 1.00 20.11 C ATOM 245 CE LYS A 16 -25.480 -14.416 -7.979 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.411 -15.903 -7.969 1.00 30.23 N1+ ATOM 0 H LYS A 16 -20.483 -12.598 -11.617 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.550 -13.089 -8.896 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.239 -12.245 -10.496 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -22.817 -13.509 -11.634 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.831 -14.175 -10.500 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -23.536 -15.220 -9.950 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.360 -14.100 -7.851 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -24.258 -12.706 -8.419 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -25.685 -14.055 -6.971 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -26.311 -14.095 -8.608 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -26.268 -16.287 -7.523 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.342 -16.254 -8.946 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -24.574 -16.208 -7.432 1.00 30.23 H new ATOM 260 N GLY A 17 -20.869 -15.460 -8.887 1.00 53.14 N ATOM 261 CA GLY A 17 -20.394 -16.831 -8.859 1.00 1.24 C ATOM 262 C GLY A 17 -18.884 -16.924 -8.964 1.00 24.31 C ATOM 263 O GLY A 17 -18.343 -17.975 -9.307 1.00 30.33 O ATOM 0 H GLY A 17 -21.099 -15.067 -7.974 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -20.721 -17.307 -7.934 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -20.847 -17.386 -9.680 1.00 1.24 H new ATOM 267 N ILE A 18 -18.203 -15.820 -8.671 1.00 51.44 N ATOM 268 CA ILE A 18 -16.748 -15.781 -8.736 1.00 32.50 C ATOM 269 C ILE A 18 -16.151 -15.336 -7.406 1.00 3.32 C ATOM 270 O ILE A 18 -15.598 -14.240 -7.298 1.00 25.41 O ATOM 271 CB ILE A 18 -16.258 -14.836 -9.849 1.00 45.15 C ATOM 272 CG1 ILE A 18 -16.995 -15.130 -11.158 1.00 2.33 C ATOM 273 CG2 ILE A 18 -14.755 -14.974 -10.038 1.00 34.32 C ATOM 274 CD1 ILE A 18 -16.581 -14.229 -12.300 1.00 3.12 C ATOM 0 H ILE A 18 -18.636 -14.942 -8.387 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.415 -16.794 -8.960 1.00 32.50 H new ATOM 0 HB ILE A 18 -16.474 -13.809 -9.555 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -16.816 -16.167 -11.441 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.067 -15.025 -10.993 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.424 -14.300 -10.828 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.247 -14.720 -9.108 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -14.516 -16.001 -10.314 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.144 -14.494 -13.195 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -16.786 -13.191 -12.037 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.515 -14.351 -12.492 1.00 3.12 H new ATOM 286 N SER A 19 -16.263 -16.191 -6.396 1.00 72.20 N ATOM 287 CA SER A 19 -15.736 -15.885 -5.071 1.00 5.03 C ATOM 288 C SER A 19 -14.250 -15.545 -5.144 1.00 10.11 C ATOM 289 O SER A 19 -13.447 -16.328 -5.649 1.00 55.41 O ATOM 290 CB SER A 19 -15.955 -17.067 -4.125 1.00 70.31 C ATOM 291 OG SER A 19 -17.184 -16.942 -3.429 1.00 12.11 O ATOM 0 H SER A 19 -16.715 -17.103 -6.469 1.00 72.20 H new ATOM 0 HA SER A 19 -16.272 -15.018 -4.685 1.00 5.03 H new ATOM 0 HB2 SER A 19 -15.948 -17.997 -4.693 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.133 -17.123 -3.411 1.00 70.31 H new ATOM 0 HG SER A 19 -17.302 -17.710 -2.832 1.00 12.11 H new ATOM 297 N LYS A 20 -13.893 -14.371 -4.633 1.00 21.45 N ATOM 298 CA LYS A 20 -12.505 -13.925 -4.638 1.00 74.43 C ATOM 299 C LYS A 20 -11.666 -14.750 -3.666 1.00 44.01 C ATOM 300 O LYS A 20 -10.443 -14.818 -3.792 1.00 62.25 O ATOM 301 CB LYS A 20 -12.423 -12.443 -4.268 1.00 25.14 C ATOM 302 CG LYS A 20 -13.004 -12.123 -2.902 1.00 31.04 C ATOM 303 CD LYS A 20 -12.169 -11.087 -2.168 1.00 45.33 C ATOM 304 CE LYS A 20 -12.277 -9.719 -2.823 1.00 73.32 C ATOM 305 NZ LYS A 20 -12.134 -8.617 -1.832 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.546 -13.711 -4.210 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.108 -14.064 -5.643 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.380 -12.129 -4.292 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.949 -11.859 -5.023 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.023 -11.755 -3.017 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.060 -13.035 -2.307 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.497 -11.022 -1.131 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.126 -11.403 -2.153 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.507 -9.621 -3.589 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -13.240 -9.632 -3.326 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -11.942 -7.725 -2.330 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -13.014 -8.526 -1.285 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -11.346 -8.830 -1.187 1.00 24.23 H new ATOM 319 N GLU A 21 -12.332 -15.375 -2.700 1.00 64.52 N ATOM 320 CA GLU A 21 -11.646 -16.195 -1.708 1.00 11.33 C ATOM 321 C GLU A 21 -10.774 -17.250 -2.384 1.00 34.03 C ATOM 322 O GLU A 21 -9.683 -17.567 -1.907 1.00 42.53 O ATOM 323 CB GLU A 21 -12.659 -16.873 -0.784 1.00 34.13 C ATOM 324 CG GLU A 21 -13.521 -15.894 -0.005 1.00 74.01 C ATOM 325 CD GLU A 21 -12.797 -15.300 1.188 1.00 20.11 C ATOM 326 OE1 GLU A 21 -11.827 -14.544 0.977 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -13.201 -15.594 2.334 1.00 12.41 O ATOM 0 H GLU A 21 -13.344 -15.329 -2.583 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.005 -15.542 -1.116 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -13.305 -17.520 -1.378 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.126 -17.514 -0.082 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.841 -15.090 -0.668 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.422 -16.402 0.338 1.00 74.01 H new ATOM 334 N ILE A 22 -11.262 -17.789 -3.496 1.00 11.12 N ATOM 335 CA ILE A 22 -10.527 -18.807 -4.237 1.00 52.11 C ATOM 336 C ILE A 22 -9.419 -18.182 -5.077 1.00 5.14 C ATOM 337 O ILE A 22 -8.427 -18.837 -5.401 1.00 62.02 O ATOM 338 CB ILE A 22 -11.460 -19.616 -5.157 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.564 -20.287 -4.338 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.665 -20.654 -5.936 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.792 -19.423 -4.157 1.00 40.42 C ATOM 0 H ILE A 22 -12.163 -17.538 -3.904 1.00 11.12 H new ATOM 0 HA ILE A 22 -10.086 -19.478 -3.500 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.926 -18.934 -5.868 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.853 -21.217 -4.827 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.168 -20.552 -3.358 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -11.338 -21.218 -6.582 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.912 -20.154 -6.545 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -10.175 -21.335 -5.240 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.533 -19.963 -3.567 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.517 -18.503 -3.641 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -14.213 -19.180 -5.133 1.00 40.42 H new ATOM 353 N ILE A 23 -9.592 -16.912 -5.426 1.00 13.43 N ATOM 354 CA ILE A 23 -8.605 -16.198 -6.226 1.00 72.34 C ATOM 355 C ILE A 23 -7.281 -16.072 -5.481 1.00 55.40 C ATOM 356 O ILE A 23 -6.210 -16.245 -6.064 1.00 31.34 O ATOM 357 CB ILE A 23 -9.102 -14.791 -6.609 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.406 -14.885 -7.403 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.039 -14.054 -7.411 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.250 -15.571 -8.743 1.00 34.01 C ATOM 0 H ILE A 23 -10.407 -16.356 -5.167 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.454 -16.781 -7.135 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.295 -14.229 -5.695 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.144 -15.426 -6.811 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.798 -13.881 -7.562 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.405 -13.062 -7.674 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.132 -13.960 -6.813 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.817 -14.612 -8.321 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.214 -15.602 -9.250 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.536 -15.018 -9.354 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.887 -16.588 -8.591 1.00 34.01 H new ATOM 372 N ILE A 24 -7.361 -15.771 -4.190 1.00 51.31 N ATOM 373 CA ILE A 24 -6.169 -15.625 -3.364 1.00 74.21 C ATOM 374 C ILE A 24 -5.265 -16.849 -3.481 1.00 44.54 C ATOM 375 O ILE A 24 -4.041 -16.730 -3.491 1.00 32.23 O ATOM 376 CB ILE A 24 -6.532 -15.409 -1.883 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.298 -14.096 -1.710 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.276 -15.414 -1.023 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.781 -14.287 -1.480 1.00 31.23 C ATOM 0 H ILE A 24 -8.239 -15.623 -3.693 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.638 -14.747 -3.731 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.174 -16.228 -1.558 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.876 -13.547 -0.868 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.153 -13.480 -2.598 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.549 -15.260 0.021 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.767 -16.372 -1.128 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.611 -14.613 -1.346 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.260 -13.314 -1.366 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.217 -14.809 -2.332 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.936 -14.876 -0.576 1.00 31.23 H new ATOM 391 N GLU A 25 -5.880 -18.025 -3.571 1.00 72.53 N ATOM 392 CA GLU A 25 -5.131 -19.270 -3.689 1.00 43.13 C ATOM 393 C GLU A 25 -4.411 -19.347 -5.032 1.00 2.50 C ATOM 394 O GLU A 25 -3.364 -19.982 -5.151 1.00 34.42 O ATOM 395 CB GLU A 25 -6.066 -20.470 -3.530 1.00 73.04 C ATOM 396 CG GLU A 25 -7.013 -20.352 -2.347 1.00 44.41 C ATOM 397 CD GLU A 25 -7.824 -21.613 -2.120 1.00 73.01 C ATOM 398 OE1 GLU A 25 -7.323 -22.708 -2.454 1.00 32.20 O ATOM 399 OE2 GLU A 25 -8.957 -21.507 -1.608 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.893 -18.141 -3.564 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.385 -19.292 -2.895 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.651 -20.588 -4.442 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.467 -21.374 -3.417 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.439 -20.127 -1.448 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.690 -19.514 -2.511 1.00 44.41 H new ATOM 406 N ALA A 26 -4.981 -18.696 -6.040 1.00 1.41 N ATOM 407 CA ALA A 26 -4.394 -18.689 -7.374 1.00 44.13 C ATOM 408 C ALA A 26 -3.055 -17.957 -7.381 1.00 13.13 C ATOM 409 O ALA A 26 -2.050 -18.489 -7.854 1.00 24.00 O ATOM 410 CB ALA A 26 -5.351 -18.050 -8.370 1.00 14.40 C ATOM 0 H ALA A 26 -5.849 -18.166 -5.958 1.00 1.41 H new ATOM 0 HA ALA A 26 -4.216 -19.723 -7.670 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.899 -18.052 -9.362 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.282 -18.616 -8.395 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.559 -17.023 -8.068 1.00 14.40 H new ATOM 416 N ILE A 27 -3.050 -16.738 -6.855 1.00 44.10 N ATOM 417 CA ILE A 27 -1.834 -15.935 -6.800 1.00 13.45 C ATOM 418 C ILE A 27 -0.711 -16.685 -6.091 1.00 13.44 C ATOM 419 O ILE A 27 0.431 -16.688 -6.548 1.00 54.42 O ATOM 420 CB ILE A 27 -2.076 -14.596 -6.080 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.102 -13.758 -6.846 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.769 -13.832 -5.927 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.516 -13.912 -6.329 1.00 74.33 C ATOM 0 H ILE A 27 -3.874 -16.284 -6.461 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.541 -15.736 -7.831 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.472 -14.802 -5.086 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.816 -12.708 -6.790 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.076 -14.040 -7.899 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.957 -12.888 -5.416 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.066 -14.427 -5.343 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.346 -13.634 -6.912 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.189 -13.290 -6.919 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.822 -14.955 -6.410 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.557 -13.602 -5.285 1.00 74.33 H new ATOM 435 N GLU A 28 -1.046 -17.321 -4.973 1.00 54.21 N ATOM 436 CA GLU A 28 -0.066 -18.076 -4.201 1.00 54.51 C ATOM 437 C GLU A 28 0.601 -19.143 -5.064 1.00 43.41 C ATOM 438 O GLU A 28 1.827 -19.223 -5.136 1.00 43.02 O ATOM 439 CB GLU A 28 -0.731 -18.728 -2.987 1.00 64.12 C ATOM 440 CG GLU A 28 -1.171 -17.733 -1.927 1.00 40.22 C ATOM 441 CD GLU A 28 -1.668 -18.408 -0.663 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.183 -19.517 -0.353 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -2.542 -17.829 0.015 1.00 63.03 O ATOM 0 H GLU A 28 -1.988 -17.329 -4.582 1.00 54.21 H new ATOM 0 HA GLU A 28 0.700 -17.381 -3.856 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.598 -19.298 -3.321 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.035 -19.438 -2.540 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.336 -17.078 -1.680 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.962 -17.102 -2.332 1.00 40.22 H new ATOM 450 N ALA A 29 -0.216 -19.962 -5.719 1.00 30.04 N ATOM 451 CA ALA A 29 0.292 -21.024 -6.578 1.00 12.54 C ATOM 452 C ALA A 29 1.160 -20.456 -7.696 1.00 13.03 C ATOM 453 O ALA A 29 2.094 -21.109 -8.161 1.00 61.31 O ATOM 454 CB ALA A 29 -0.860 -21.830 -7.159 1.00 31.13 C ATOM 0 H ALA A 29 -1.234 -19.910 -5.671 1.00 30.04 H new ATOM 0 HA ALA A 29 0.912 -21.684 -5.971 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.465 -22.620 -7.798 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.438 -22.274 -6.349 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.503 -21.174 -7.747 1.00 31.13 H new ATOM 460 N ALA A 30 0.844 -19.239 -8.124 1.00 53.23 N ATOM 461 CA ALA A 30 1.596 -18.583 -9.186 1.00 23.45 C ATOM 462 C ALA A 30 2.976 -18.154 -8.698 1.00 61.02 C ATOM 463 O ALA A 30 3.977 -18.339 -9.392 1.00 51.44 O ATOM 464 CB ALA A 30 0.826 -17.383 -9.717 1.00 32.41 C ATOM 0 H ALA A 30 0.072 -18.687 -7.751 1.00 53.23 H new ATOM 0 HA ALA A 30 1.732 -19.300 -9.996 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.401 -16.904 -10.510 1.00 32.41 H new ATOM 0 HB2 ALA A 30 -0.134 -17.713 -10.114 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.659 -16.671 -8.909 1.00 32.41 H new ATOM 470 N LEU A 31 3.022 -17.579 -7.502 1.00 5.35 N ATOM 471 CA LEU A 31 4.280 -17.122 -6.921 1.00 1.23 C ATOM 472 C LEU A 31 5.233 -18.291 -6.696 1.00 21.11 C ATOM 473 O LEU A 31 6.389 -18.252 -7.118 1.00 34.51 O ATOM 474 CB LEU A 31 4.021 -16.399 -5.598 1.00 45.33 C ATOM 475 CG LEU A 31 3.800 -14.889 -5.690 1.00 33.31 C ATOM 476 CD1 LEU A 31 5.014 -14.208 -6.305 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.548 -14.581 -6.497 1.00 43.31 C ATOM 0 H LEU A 31 2.203 -17.418 -6.915 1.00 5.35 H new ATOM 0 HA LEU A 31 4.744 -16.429 -7.622 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.145 -16.846 -5.128 1.00 45.33 H new ATOM 0 HB3 LEU A 31 4.867 -16.582 -4.935 1.00 45.33 H new ATOM 0 HG LEU A 31 3.663 -14.500 -4.681 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.838 -13.134 -6.362 1.00 53.12 H new ATOM 0 HD12 LEU A 31 5.891 -14.400 -5.687 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.183 -14.602 -7.307 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.407 -13.502 -6.552 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.656 -14.984 -7.504 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.683 -15.036 -6.014 1.00 43.31 H new ATOM 489 N ILE A 32 4.739 -19.331 -6.031 1.00 24.45 N ATOM 490 CA ILE A 32 5.546 -20.512 -5.754 1.00 71.03 C ATOM 491 C ILE A 32 6.086 -21.123 -7.043 1.00 24.23 C ATOM 492 O ILE A 32 7.239 -21.551 -7.103 1.00 63.05 O ATOM 493 CB ILE A 32 4.738 -21.579 -4.993 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.587 -22.833 -4.774 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.465 -21.921 -5.752 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.187 -23.627 -3.550 1.00 4.22 C ATOM 0 H ILE A 32 3.784 -19.379 -5.675 1.00 24.45 H new ATOM 0 HA ILE A 32 6.380 -20.186 -5.132 1.00 71.03 H new ATOM 0 HB ILE A 32 4.460 -21.176 -4.019 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.510 -23.473 -5.653 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.633 -22.542 -4.683 1.00 22.33 H new ATOM 0 HG21 ILE A 32 2.905 -22.677 -5.201 1.00 41.15 H new ATOM 0 HG22 ILE A 32 2.855 -21.025 -5.861 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.722 -22.307 -6.738 1.00 41.15 H new ATOM 0 HD11 ILE A 32 5.831 -24.502 -3.457 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.291 -23.004 -2.662 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.150 -23.949 -3.648 1.00 4.22 H new ATOM 508 N SER A 33 5.246 -21.160 -8.072 1.00 23.51 N ATOM 509 CA SER A 33 5.639 -21.720 -9.360 1.00 62.33 C ATOM 510 C SER A 33 6.731 -20.876 -10.010 1.00 1.44 C ATOM 511 O SER A 33 7.722 -21.404 -10.513 1.00 2.10 O ATOM 512 CB SER A 33 4.428 -21.812 -10.290 1.00 3.21 C ATOM 513 OG SER A 33 4.820 -21.724 -11.648 1.00 24.42 O ATOM 0 H SER A 33 4.289 -20.809 -8.039 1.00 23.51 H new ATOM 0 HA SER A 33 6.033 -22.721 -9.188 1.00 62.33 H new ATOM 0 HB2 SER A 33 3.905 -22.753 -10.119 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.726 -21.011 -10.058 1.00 3.21 H new ATOM 0 HG SER A 33 4.028 -21.787 -12.222 1.00 24.42 H new ATOM 519 N ALA A 34 6.540 -19.561 -9.996 1.00 22.53 N ATOM 520 CA ALA A 34 7.507 -18.641 -10.582 1.00 1.34 C ATOM 521 C ALA A 34 8.889 -18.834 -9.966 1.00 52.14 C ATOM 522 O ALA A 34 9.878 -19.007 -10.679 1.00 62.24 O ATOM 523 CB ALA A 34 7.043 -17.204 -10.405 1.00 23.24 C ATOM 0 H ALA A 34 5.724 -19.109 -9.585 1.00 22.53 H new ATOM 0 HA ALA A 34 7.579 -18.858 -11.648 1.00 1.34 H new ATOM 0 HB1 ALA A 34 7.775 -16.528 -10.847 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.080 -17.069 -10.898 1.00 23.24 H new ATOM 0 HB3 ALA A 34 6.941 -16.983 -9.343 1.00 23.24 H new ATOM 529 N TYR A 35 8.949 -18.802 -8.639 1.00 60.44 N ATOM 530 CA TYR A 35 10.212 -18.969 -7.928 1.00 42.44 C ATOM 531 C TYR A 35 10.754 -20.384 -8.107 1.00 40.45 C ATOM 532 O TYR A 35 11.965 -20.593 -8.179 1.00 13.24 O ATOM 533 CB TYR A 35 10.026 -18.666 -6.440 1.00 14.41 C ATOM 534 CG TYR A 35 11.217 -19.050 -5.592 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.334 -20.331 -5.064 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.224 -18.134 -5.316 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.419 -20.686 -4.287 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.314 -18.480 -4.541 1.00 13.02 C ATOM 539 CZ TYR A 35 13.407 -19.758 -4.029 1.00 1.20 C ATOM 540 OH TYR A 35 14.491 -20.107 -3.255 1.00 72.42 O ATOM 0 H TYR A 35 8.139 -18.662 -8.035 1.00 60.44 H new ATOM 0 HA TYR A 35 10.933 -18.268 -8.348 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.830 -17.601 -6.316 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.146 -19.196 -6.077 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.563 -21.061 -5.265 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.154 -17.133 -5.715 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.494 -21.685 -3.883 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.088 -17.755 -4.337 1.00 13.02 H new ATOM 0 HH TYR A 35 15.086 -19.334 -3.158 1.00 72.42 H new ATOM 550 N LYS A 36 9.848 -21.353 -8.178 1.00 5.13 N ATOM 551 CA LYS A 36 10.233 -22.750 -8.349 1.00 11.15 C ATOM 552 C LYS A 36 10.927 -22.960 -9.691 1.00 32.14 C ATOM 553 O LYS A 36 11.834 -23.784 -9.807 1.00 62.43 O ATOM 554 CB LYS A 36 9.002 -23.654 -8.252 1.00 64.34 C ATOM 555 CG LYS A 36 8.752 -24.191 -6.854 1.00 20.30 C ATOM 556 CD LYS A 36 7.856 -25.419 -6.880 1.00 1.42 C ATOM 557 CE LYS A 36 7.474 -25.860 -5.475 1.00 45.53 C ATOM 558 NZ LYS A 36 7.252 -27.329 -5.397 1.00 21.13 N1+ ATOM 0 H LYS A 36 8.842 -21.197 -8.120 1.00 5.13 H new ATOM 0 HA LYS A 36 10.931 -23.011 -7.553 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.125 -23.096 -8.580 1.00 64.34 H new ATOM 0 HB3 LYS A 36 9.122 -24.492 -8.938 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.703 -24.443 -6.385 1.00 20.30 H new ATOM 0 HG3 LYS A 36 8.290 -23.416 -6.243 1.00 20.30 H new ATOM 0 HD2 LYS A 36 6.954 -25.201 -7.452 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.368 -26.234 -7.392 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.262 -25.574 -4.778 1.00 45.53 H new ATOM 0 HE3 LYS A 36 6.569 -25.339 -5.164 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 6.994 -27.590 -4.424 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.483 -27.599 -6.043 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.124 -27.827 -5.669 1.00 21.13 H new ATOM 572 N ARG A 37 10.495 -22.211 -10.701 1.00 74.25 N ATOM 573 CA ARG A 37 11.076 -22.318 -12.034 1.00 53.51 C ATOM 574 C ARG A 37 12.582 -22.078 -11.991 1.00 13.30 C ATOM 575 O ARG A 37 13.317 -22.520 -12.874 1.00 74.35 O ATOM 576 CB ARG A 37 10.416 -21.315 -12.982 1.00 25.33 C ATOM 577 CG ARG A 37 9.016 -21.718 -13.416 1.00 1.44 C ATOM 578 CD ARG A 37 9.051 -22.611 -14.647 1.00 4.13 C ATOM 579 NE ARG A 37 7.752 -23.223 -14.915 1.00 22.22 N ATOM 580 CZ ARG A 37 7.560 -24.168 -15.829 1.00 71.43 C ATOM 581 NH1 ARG A 37 8.578 -24.607 -16.557 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 6.349 -24.677 -16.015 1.00 43.33 N ATOM 0 H ARG A 37 9.745 -21.524 -10.621 1.00 74.25 H new ATOM 0 HA ARG A 37 10.897 -23.328 -12.402 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.370 -20.342 -12.493 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.042 -21.198 -13.867 1.00 25.33 H new ATOM 0 HG2 ARG A 37 8.517 -22.241 -12.600 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.429 -20.825 -13.629 1.00 1.44 H new ATOM 0 HD2 ARG A 37 9.361 -22.024 -15.512 1.00 4.13 H new ATOM 0 HD3 ARG A 37 9.798 -23.392 -14.507 1.00 4.13 H new ATOM 0 HE ARG A 37 6.949 -22.908 -14.371 1.00 22.22 H new ATOM 0 HH11 ARG A 37 9.511 -24.219 -16.416 1.00 64.15 H new ATOM 0 HH12 ARG A 37 8.428 -25.333 -17.258 1.00 64.15 H new ATOM 0 HH21 ARG A 37 5.564 -24.343 -15.456 1.00 43.33 H new ATOM 0 HH22 ARG A 37 6.203 -25.402 -16.717 1.00 43.33 H new ATOM 596 N ASN A 38 13.036 -21.375 -10.957 1.00 64.14 N ATOM 597 CA ASN A 38 14.454 -21.075 -10.801 1.00 2.44 C ATOM 598 C ASN A 38 15.178 -22.223 -10.104 1.00 62.25 C ATOM 599 O ASN A 38 16.377 -22.426 -10.301 1.00 62.41 O ATOM 600 CB ASN A 38 14.638 -19.782 -10.003 1.00 14.03 C ATOM 601 CG ASN A 38 14.331 -18.546 -10.827 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.003 -18.264 -11.818 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.309 -17.803 -10.418 1.00 43.51 N ATOM 0 H ASN A 38 12.442 -21.003 -10.216 1.00 64.14 H new ATOM 0 HA ASN A 38 14.885 -20.946 -11.794 1.00 2.44 H new ATOM 0 HB2 ASN A 38 13.988 -19.803 -9.128 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.663 -19.726 -9.638 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.054 -16.960 -10.932 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.779 -18.076 -9.590 1.00 43.51 H new ATOM 610 N PHE A 39 14.443 -22.971 -9.287 1.00 74.50 N ATOM 611 CA PHE A 39 15.014 -24.098 -8.561 1.00 13.22 C ATOM 612 C PHE A 39 13.953 -25.156 -8.275 1.00 13.23 C ATOM 613 O PHE A 39 13.521 -25.325 -7.136 1.00 12.23 O ATOM 614 CB PHE A 39 15.642 -23.621 -7.248 1.00 22.33 C ATOM 615 CG PHE A 39 16.937 -22.886 -7.436 1.00 63.55 C ATOM 616 CD1 PHE A 39 17.988 -23.469 -8.126 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.105 -21.609 -6.922 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.181 -22.794 -8.301 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.296 -20.930 -7.094 1.00 73.20 C ATOM 620 CZ PHE A 39 19.335 -21.523 -7.782 1.00 41.30 C ATOM 0 H PHE A 39 13.450 -22.816 -9.112 1.00 74.50 H new ATOM 0 HA PHE A 39 15.788 -24.545 -9.185 1.00 13.22 H new ATOM 0 HB2 PHE A 39 14.936 -22.971 -6.732 1.00 22.33 H new ATOM 0 HB3 PHE A 39 15.813 -24.482 -6.602 1.00 22.33 H new ATOM 0 HD1 PHE A 39 17.873 -24.463 -8.532 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.296 -21.140 -6.381 1.00 1.45 H new ATOM 0 HE1 PHE A 39 19.991 -23.259 -8.842 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.414 -19.935 -6.690 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.267 -20.994 -7.915 1.00 41.30 H new ATOM 630 N ASN A 40 13.536 -25.865 -9.319 1.00 5.11 N ATOM 631 CA ASN A 40 12.524 -26.905 -9.182 1.00 31.44 C ATOM 632 C ASN A 40 13.122 -28.168 -8.569 1.00 13.21 C ATOM 633 O ASN A 40 12.672 -28.633 -7.521 1.00 10.21 O ATOM 634 CB ASN A 40 11.908 -27.230 -10.545 1.00 21.11 C ATOM 635 CG ASN A 40 11.114 -28.521 -10.528 1.00 35.33 C ATOM 636 OD1 ASN A 40 10.014 -28.579 -9.979 1.00 34.12 O ATOM 637 ND2 ASN A 40 11.670 -29.566 -11.131 1.00 33.42 N ATOM 0 H ASN A 40 13.884 -25.738 -10.269 1.00 5.11 H new ATOM 0 HA ASN A 40 11.744 -26.533 -8.517 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.257 -26.411 -10.851 1.00 21.11 H new ATOM 0 HB3 ASN A 40 12.700 -27.304 -11.290 1.00 21.11 H new ATOM 0 HD21 ASN A 40 11.183 -30.462 -11.151 1.00 33.42 H new ATOM 0 HD22 ASN A 40 12.584 -29.473 -11.574 1.00 33.42 H new ATOM 644 N GLN A 41 14.137 -28.716 -9.228 1.00 42.41 N ATOM 645 CA GLN A 41 14.796 -29.925 -8.747 1.00 32.21 C ATOM 646 C GLN A 41 15.946 -29.580 -7.806 1.00 10.23 C ATOM 647 O GLN A 41 16.741 -30.445 -7.440 1.00 2.54 O ATOM 648 CB GLN A 41 15.315 -30.751 -9.926 1.00 24.30 C ATOM 649 CG GLN A 41 16.453 -30.084 -10.682 1.00 23.03 C ATOM 650 CD GLN A 41 16.856 -30.852 -11.925 1.00 60.23 C ATOM 651 OE1 GLN A 41 17.379 -31.963 -11.841 1.00 25.31 O ATOM 652 NE2 GLN A 41 16.615 -30.260 -13.090 1.00 53.52 N ATOM 0 H GLN A 41 14.521 -28.343 -10.096 1.00 42.41 H new ATOM 0 HA GLN A 41 14.063 -30.514 -8.195 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.653 -31.720 -9.559 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.493 -30.940 -10.616 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.154 -29.074 -10.964 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.316 -29.989 -10.023 1.00 23.03 H new ATOM 0 HE21 GLN A 41 16.179 -29.338 -13.113 1.00 53.52 H new ATOM 0 HE22 GLN A 41 16.866 -30.728 -13.961 1.00 53.52 H new ATOM 661 N ALA A 42 16.028 -28.311 -7.420 1.00 53.10 N ATOM 662 CA ALA A 42 17.079 -27.853 -6.521 1.00 45.11 C ATOM 663 C ALA A 42 16.624 -27.914 -5.067 1.00 30.22 C ATOM 664 O ALA A 42 17.405 -28.244 -4.175 1.00 53.42 O ATOM 665 CB ALA A 42 17.505 -26.438 -6.883 1.00 52.01 C ATOM 0 H ALA A 42 15.379 -27.582 -7.716 1.00 53.10 H new ATOM 0 HA ALA A 42 17.935 -28.519 -6.635 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.291 -26.109 -6.203 1.00 52.01 H new ATOM 0 HB2 ALA A 42 17.881 -26.422 -7.906 1.00 52.01 H new ATOM 0 HB3 ALA A 42 16.649 -25.768 -6.800 1.00 52.01 H new ATOM 671 N GLN A 43 15.354 -27.593 -4.836 1.00 44.33 N ATOM 672 CA GLN A 43 14.796 -27.610 -3.488 1.00 63.21 C ATOM 673 C GLN A 43 13.322 -27.220 -3.505 1.00 62.24 C ATOM 674 O GLN A 43 12.891 -26.421 -4.337 1.00 74.55 O ATOM 675 CB GLN A 43 15.577 -26.662 -2.578 1.00 72.12 C ATOM 676 CG GLN A 43 14.913 -26.428 -1.230 1.00 43.55 C ATOM 677 CD GLN A 43 15.885 -25.931 -0.178 1.00 74.41 C ATOM 678 OE1 GLN A 43 17.081 -25.798 -0.437 1.00 53.02 O ATOM 679 NE2 GLN A 43 15.375 -25.654 1.016 1.00 50.05 N ATOM 0 H GLN A 43 14.694 -27.319 -5.563 1.00 44.33 H new ATOM 0 HA GLN A 43 14.880 -28.625 -3.099 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.576 -27.068 -2.416 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.700 -25.705 -3.084 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.108 -25.702 -1.347 1.00 43.55 H new ATOM 0 HG3 GLN A 43 14.457 -27.357 -0.888 1.00 43.55 H new ATOM 0 HE21 GLN A 43 14.377 -25.779 1.186 1.00 50.05 H new ATOM 0 HE22 GLN A 43 15.981 -25.316 1.764 1.00 50.05 H new ATOM 688 N ASN A 44 12.554 -27.788 -2.583 1.00 61.24 N ATOM 689 CA ASN A 44 11.126 -27.500 -2.493 1.00 5.03 C ATOM 690 C ASN A 44 10.888 -26.115 -1.898 1.00 45.14 C ATOM 691 O ASN A 44 11.833 -25.402 -1.558 1.00 15.42 O ATOM 692 CB ASN A 44 10.424 -28.560 -1.642 1.00 2.54 C ATOM 693 CG ASN A 44 10.959 -28.612 -0.224 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.845 -27.841 0.145 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.423 -29.525 0.577 1.00 2.43 N ATOM 0 H ASN A 44 12.895 -28.451 -1.887 1.00 61.24 H new ATOM 0 HA ASN A 44 10.712 -27.520 -3.501 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.355 -28.351 -1.616 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.547 -29.537 -2.110 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.744 -29.608 1.542 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.691 -30.143 0.228 1.00 2.43 H new ATOM 702 N VAL A 45 9.619 -25.740 -1.776 1.00 44.30 N ATOM 703 CA VAL A 45 9.255 -24.441 -1.222 1.00 71.11 C ATOM 704 C VAL A 45 7.744 -24.317 -1.057 1.00 24.13 C ATOM 705 O VAL A 45 6.979 -25.003 -1.734 1.00 24.45 O ATOM 706 CB VAL A 45 9.761 -23.290 -2.112 1.00 60.41 C ATOM 707 CG1 VAL A 45 8.962 -23.223 -3.405 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.689 -21.967 -1.362 1.00 21.34 C ATOM 0 H VAL A 45 8.825 -26.317 -2.053 1.00 44.30 H new ATOM 0 HA VAL A 45 9.730 -24.369 -0.244 1.00 71.11 H new ATOM 0 HB VAL A 45 10.803 -23.482 -2.367 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.334 -22.404 -4.021 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.069 -24.162 -3.948 1.00 23.33 H new ATOM 0 HG13 VAL A 45 7.910 -23.055 -3.174 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.050 -21.164 -2.005 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.656 -21.766 -1.076 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.309 -22.022 -0.467 1.00 21.34 H new ATOM 718 N ARG A 46 7.323 -23.437 -0.156 1.00 33.25 N ATOM 719 CA ARG A 46 5.904 -23.223 0.098 1.00 13.25 C ATOM 720 C ARG A 46 5.602 -21.738 0.282 1.00 35.22 C ATOM 721 O ARG A 46 5.998 -21.132 1.277 1.00 45.34 O ATOM 722 CB ARG A 46 5.463 -24.000 1.340 1.00 60.23 C ATOM 723 CG ARG A 46 5.906 -25.454 1.338 1.00 34.50 C ATOM 724 CD ARG A 46 5.390 -26.197 2.559 1.00 54.54 C ATOM 725 NE ARG A 46 3.957 -26.000 2.755 1.00 74.02 N ATOM 726 CZ ARG A 46 3.025 -26.624 2.042 1.00 73.42 C ATOM 727 NH1 ARG A 46 3.375 -27.483 1.094 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 1.740 -26.392 2.278 1.00 42.44 N ATOM 0 H ARG A 46 7.945 -22.860 0.411 1.00 33.25 H new ATOM 0 HA ARG A 46 5.348 -23.586 -0.766 1.00 13.25 H new ATOM 0 HB2 ARG A 46 5.863 -23.508 2.227 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.376 -23.960 1.416 1.00 60.23 H new ATOM 0 HG2 ARG A 46 5.545 -25.944 0.434 1.00 34.50 H new ATOM 0 HG3 ARG A 46 6.995 -25.503 1.314 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.598 -27.261 2.450 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.927 -25.856 3.444 1.00 54.54 H new ATOM 0 HE ARG A 46 3.654 -25.348 3.479 1.00 74.02 H new ATOM 0 HH11 ARG A 46 4.362 -27.666 0.911 1.00 53.11 H new ATOM 0 HH12 ARG A 46 2.658 -27.961 0.548 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.466 -25.734 3.008 1.00 42.44 H new ATOM 0 HH22 ARG A 46 1.026 -26.872 1.730 1.00 42.44 H new ATOM 742 N VAL A 47 4.900 -21.159 -0.686 1.00 13.15 N ATOM 743 CA VAL A 47 4.544 -19.746 -0.632 1.00 40.55 C ATOM 744 C VAL A 47 3.230 -19.538 0.111 1.00 21.11 C ATOM 745 O VAL A 47 2.312 -20.354 0.012 1.00 40.40 O ATOM 746 CB VAL A 47 4.422 -19.143 -2.045 1.00 43.43 C ATOM 747 CG1 VAL A 47 3.993 -17.685 -1.969 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.737 -19.283 -2.798 1.00 3.11 C ATOM 0 H VAL A 47 4.566 -21.646 -1.518 1.00 13.15 H new ATOM 0 HA VAL A 47 5.346 -19.239 -0.096 1.00 40.55 H new ATOM 0 HB VAL A 47 3.656 -19.693 -2.592 1.00 43.43 H new ATOM 0 HG11 VAL A 47 3.912 -17.276 -2.976 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.026 -17.616 -1.471 1.00 73.12 H new ATOM 0 HG13 VAL A 47 4.733 -17.117 -1.405 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.634 -18.852 -3.794 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.524 -18.759 -2.256 1.00 3.11 H new ATOM 0 HG23 VAL A 47 5.996 -20.338 -2.884 1.00 3.11 H new ATOM 758 N ASP A 48 3.144 -18.441 0.857 1.00 31.11 N ATOM 759 CA ASP A 48 1.942 -18.125 1.617 1.00 72.44 C ATOM 760 C ASP A 48 1.630 -16.633 1.544 1.00 70.23 C ATOM 761 O ASP A 48 2.279 -15.819 2.203 1.00 21.40 O ATOM 762 CB ASP A 48 2.107 -18.553 3.076 1.00 33.25 C ATOM 763 CG ASP A 48 0.825 -18.406 3.871 1.00 71.03 C ATOM 764 OD1 ASP A 48 -0.038 -19.303 3.776 1.00 23.12 O ATOM 765 OD2 ASP A 48 0.684 -17.393 4.589 1.00 32.52 O1- ATOM 0 H ASP A 48 3.894 -17.756 0.951 1.00 31.11 H new ATOM 0 HA ASP A 48 1.109 -18.675 1.178 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.436 -19.591 3.112 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.890 -17.954 3.541 1.00 33.25 H new ATOM 770 N LEU A 49 0.634 -16.281 0.739 1.00 24.33 N ATOM 771 CA LEU A 49 0.236 -14.886 0.579 1.00 74.30 C ATOM 772 C LEU A 49 -0.951 -14.552 1.477 1.00 41.23 C ATOM 773 O LEU A 49 -1.819 -15.392 1.714 1.00 13.24 O ATOM 774 CB LEU A 49 -0.119 -14.601 -0.881 1.00 25.14 C ATOM 775 CG LEU A 49 -0.554 -13.170 -1.199 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.156 -12.795 -2.619 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.054 -13.012 -1.004 1.00 21.20 C ATOM 0 H LEU A 49 0.087 -16.942 0.187 1.00 24.33 H new ATOM 0 HA LEU A 49 1.077 -14.258 0.871 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.747 -14.842 -1.498 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -0.920 -15.278 -1.178 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.046 -12.495 -0.510 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.473 -11.773 -2.828 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.926 -12.867 -2.725 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.636 -13.475 -3.323 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.345 -11.987 -1.235 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.581 -13.697 -1.668 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -2.312 -13.238 0.031 1.00 21.20 H new ATOM 789 N ASN A 50 -0.984 -13.319 1.971 1.00 2.14 N ATOM 790 CA ASN A 50 -2.065 -12.873 2.842 1.00 51.24 C ATOM 791 C ASN A 50 -2.767 -11.652 2.256 1.00 73.32 C ATOM 792 O ASN A 50 -2.276 -10.529 2.365 1.00 30.13 O ATOM 793 CB ASN A 50 -1.524 -12.544 4.235 1.00 23.52 C ATOM 794 CG ASN A 50 -1.111 -13.785 5.002 1.00 61.45 C ATOM 795 OD1 ASN A 50 -0.775 -14.811 4.411 1.00 42.53 O ATOM 796 ND2 ASN A 50 -1.135 -13.696 6.327 1.00 44.50 N ATOM 0 H ASN A 50 -0.274 -12.611 1.783 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.790 -13.683 2.923 1.00 51.24 H new ATOM 0 HB2 ASN A 50 -0.668 -11.876 4.141 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -2.286 -12.007 4.800 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -0.868 -14.499 6.897 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -1.420 -12.825 6.775 1.00 44.50 H new ATOM 803 N ARG A 51 -3.919 -11.880 1.633 1.00 0.13 N ATOM 804 CA ARG A 51 -4.688 -10.800 1.028 1.00 51.01 C ATOM 805 C ARG A 51 -5.240 -9.861 2.097 1.00 31.24 C ATOM 806 O ARG A 51 -5.710 -8.766 1.792 1.00 2.24 O ATOM 807 CB ARG A 51 -5.837 -11.368 0.193 1.00 21.12 C ATOM 808 CG ARG A 51 -7.061 -11.741 1.013 1.00 33.14 C ATOM 809 CD ARG A 51 -6.752 -12.853 2.001 1.00 3.53 C ATOM 810 NE ARG A 51 -7.953 -13.585 2.396 1.00 0.04 N ATOM 811 CZ ARG A 51 -7.928 -14.762 3.011 1.00 72.34 C ATOM 812 NH1 ARG A 51 -6.769 -15.337 3.302 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -9.064 -15.365 3.339 1.00 73.32 N ATOM 0 H ARG A 51 -4.340 -12.804 1.534 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.021 -10.233 0.378 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.125 -10.634 -0.560 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.485 -12.251 -0.341 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -7.420 -10.864 1.551 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -7.864 -12.057 0.347 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -6.036 -13.544 1.556 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -6.278 -12.430 2.887 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.861 -13.169 2.188 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -5.894 -14.875 3.054 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -6.753 -16.241 3.774 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -9.957 -14.925 3.119 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -9.044 -16.269 3.811 1.00 73.32 H new ATOM 827 N GLU A 52 -5.179 -10.299 3.352 1.00 34.15 N ATOM 828 CA GLU A 52 -5.673 -9.498 4.465 1.00 24.22 C ATOM 829 C GLU A 52 -4.800 -8.265 4.677 1.00 0.20 C ATOM 830 O GLU A 52 -5.297 -7.185 5.000 1.00 22.35 O ATOM 831 CB GLU A 52 -5.714 -10.334 5.745 1.00 52.12 C ATOM 832 CG GLU A 52 -4.402 -11.035 6.057 1.00 75.31 C ATOM 833 CD GLU A 52 -4.422 -11.739 7.400 1.00 73.42 C ATOM 834 OE1 GLU A 52 -4.119 -11.082 8.418 1.00 52.33 O1- ATOM 835 OE2 GLU A 52 -4.740 -12.946 7.432 1.00 11.41 O ATOM 0 H GLU A 52 -4.792 -11.204 3.622 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.683 -9.169 4.222 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.979 -9.688 6.582 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -6.503 -11.081 5.656 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -4.187 -11.761 5.273 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -3.593 -10.305 6.046 1.00 75.31 H new ATOM 842 N THR A 53 -3.494 -8.432 4.495 1.00 23.40 N ATOM 843 CA THR A 53 -2.551 -7.335 4.668 1.00 34.31 C ATOM 844 C THR A 53 -1.679 -7.159 3.430 1.00 54.44 C ATOM 845 O THR A 53 -0.664 -6.465 3.467 1.00 31.00 O ATOM 846 CB THR A 53 -1.643 -7.563 5.892 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.724 -8.628 5.630 1.00 13.41 O ATOM 848 CG2 THR A 53 -2.471 -7.893 7.125 1.00 32.42 C ATOM 0 H THR A 53 -3.065 -9.318 4.227 1.00 23.40 H new ATOM 0 HA THR A 53 -3.142 -6.432 4.825 1.00 34.31 H new ATOM 0 HB THR A 53 -1.088 -6.644 6.081 1.00 73.11 H new ATOM 0 HG1 THR A 53 -0.150 -8.765 6.412 1.00 13.41 H new ATOM 0 HG21 THR A 53 -1.809 -8.050 7.977 1.00 32.42 H new ATOM 0 HG22 THR A 53 -3.149 -7.067 7.340 1.00 32.42 H new ATOM 0 HG23 THR A 53 -3.049 -8.799 6.943 1.00 32.42 H new ATOM 856 N GLY A 54 -2.084 -7.791 2.332 1.00 23.41 N ATOM 857 CA GLY A 54 -1.327 -7.690 1.098 1.00 44.31 C ATOM 858 C GLY A 54 0.127 -8.079 1.274 1.00 5.13 C ATOM 859 O GLY A 54 0.995 -7.615 0.536 1.00 74.51 O ATOM 0 H GLY A 54 -2.922 -8.370 2.275 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.782 -8.331 0.343 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.383 -6.668 0.724 1.00 44.31 H new ATOM 863 N SER A 55 0.394 -8.935 2.256 1.00 33.40 N ATOM 864 CA SER A 55 1.754 -9.382 2.531 1.00 75.11 C ATOM 865 C SER A 55 2.033 -10.720 1.853 1.00 63.23 C ATOM 866 O SER A 55 1.111 -11.424 1.440 1.00 45.55 O ATOM 867 CB SER A 55 1.977 -9.506 4.040 1.00 55.25 C ATOM 868 OG SER A 55 2.350 -8.261 4.604 1.00 71.01 O ATOM 0 H SER A 55 -0.314 -9.332 2.874 1.00 33.40 H new ATOM 0 HA SER A 55 2.443 -8.639 2.129 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.066 -9.867 4.517 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.754 -10.245 4.237 1.00 55.25 H new ATOM 0 HG SER A 55 2.485 -8.366 5.569 1.00 71.01 H new ATOM 874 N ILE A 56 3.311 -11.064 1.742 1.00 3.53 N ATOM 875 CA ILE A 56 3.713 -12.318 1.115 1.00 74.13 C ATOM 876 C ILE A 56 5.016 -12.837 1.711 1.00 0.40 C ATOM 877 O ILE A 56 5.926 -12.064 2.012 1.00 42.33 O ATOM 878 CB ILE A 56 3.887 -12.156 -0.407 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.084 -13.225 -1.151 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.358 -12.233 -0.783 1.00 41.12 C ATOM 881 CD1 ILE A 56 3.414 -14.637 -0.720 1.00 3.04 C ATOM 0 H ILE A 56 4.086 -10.493 2.078 1.00 3.53 H new ATOM 0 HA ILE A 56 2.916 -13.037 1.307 1.00 74.13 H new ATOM 0 HB ILE A 56 3.509 -11.176 -0.699 1.00 73.52 H new ATOM 0 HG12 ILE A 56 2.021 -13.045 -0.993 1.00 3.03 H new ATOM 0 HG13 ILE A 56 3.269 -13.128 -2.221 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.464 -12.117 -1.862 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.905 -11.438 -0.277 1.00 41.12 H new ATOM 0 HG23 ILE A 56 5.761 -13.200 -0.481 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.808 -15.342 -1.289 1.00 3.04 H new ATOM 0 HD12 ILE A 56 4.470 -14.836 -0.903 1.00 3.04 H new ATOM 0 HD13 ILE A 56 3.203 -14.752 0.343 1.00 3.04 H new ATOM 893 N ARG A 57 5.100 -14.153 1.878 1.00 32.14 N ATOM 894 CA ARG A 57 6.294 -14.778 2.438 1.00 64.45 C ATOM 895 C ARG A 57 6.527 -16.153 1.821 1.00 32.01 C ATOM 896 O ARG A 57 5.590 -16.931 1.638 1.00 32.22 O ATOM 897 CB ARG A 57 6.165 -14.903 3.957 1.00 61.04 C ATOM 898 CG ARG A 57 6.509 -13.625 4.705 1.00 70.51 C ATOM 899 CD ARG A 57 8.012 -13.415 4.785 1.00 15.33 C ATOM 900 NE ARG A 57 8.588 -14.027 5.980 1.00 71.31 N ATOM 901 CZ ARG A 57 8.357 -13.589 7.213 1.00 72.11 C ATOM 902 NH1 ARG A 57 7.568 -12.543 7.413 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.918 -14.199 8.250 1.00 34.43 N ATOM 0 H ARG A 57 4.356 -14.807 1.634 1.00 32.14 H new ATOM 0 HA ARG A 57 7.150 -14.144 2.204 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.144 -15.195 4.204 1.00 61.04 H new ATOM 0 HB3 ARG A 57 6.818 -15.704 4.304 1.00 61.04 H new ATOM 0 HG2 ARG A 57 6.048 -12.774 4.205 1.00 70.51 H new ATOM 0 HG3 ARG A 57 6.092 -13.668 5.711 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.485 -13.837 3.898 1.00 15.33 H new ATOM 0 HD3 ARG A 57 8.229 -12.347 4.784 1.00 15.33 H new ATOM 0 HE ARG A 57 9.200 -14.834 5.861 1.00 71.31 H new ATOM 0 HH11 ARG A 57 7.136 -12.071 6.619 1.00 34.40 H new ATOM 0 HH12 ARG A 57 7.393 -12.210 8.361 1.00 34.40 H new ATOM 0 HH21 ARG A 57 9.526 -15.004 8.100 1.00 34.43 H new ATOM 0 HH22 ARG A 57 8.741 -13.863 9.197 1.00 34.43 H new ATOM 917 N VAL A 58 7.784 -16.448 1.502 1.00 42.34 N ATOM 918 CA VAL A 58 8.141 -17.730 0.907 1.00 43.54 C ATOM 919 C VAL A 58 9.131 -18.486 1.785 1.00 10.15 C ATOM 920 O VAL A 58 10.239 -18.012 2.042 1.00 73.04 O ATOM 921 CB VAL A 58 8.751 -17.548 -0.495 1.00 23.50 C ATOM 922 CG1 VAL A 58 8.890 -18.890 -1.197 1.00 55.51 C ATOM 923 CG2 VAL A 58 7.906 -16.590 -1.322 1.00 4.35 C ATOM 0 H VAL A 58 8.572 -15.816 1.646 1.00 42.34 H new ATOM 0 HA VAL A 58 7.220 -18.307 0.822 1.00 43.54 H new ATOM 0 HB VAL A 58 9.747 -17.118 -0.386 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.323 -18.740 -2.186 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.539 -19.541 -0.612 1.00 55.51 H new ATOM 0 HG13 VAL A 58 7.908 -19.352 -1.297 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.351 -16.472 -2.310 1.00 4.35 H new ATOM 0 HG22 VAL A 58 6.897 -16.990 -1.424 1.00 4.35 H new ATOM 0 HG23 VAL A 58 7.864 -15.621 -0.825 1.00 4.35 H new ATOM 933 N PHE A 59 8.727 -19.666 2.243 1.00 1.31 N ATOM 934 CA PHE A 59 9.579 -20.490 3.093 1.00 44.44 C ATOM 935 C PHE A 59 9.894 -21.822 2.420 1.00 1.24 C ATOM 936 O PHE A 59 9.103 -22.332 1.627 1.00 3.23 O ATOM 937 CB PHE A 59 8.904 -20.735 4.444 1.00 43.13 C ATOM 938 CG PHE A 59 8.414 -19.479 5.106 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.276 -18.689 5.849 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.091 -19.087 4.985 1.00 45.01 C ATOM 941 CE1 PHE A 59 8.829 -17.533 6.459 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.637 -17.931 5.591 1.00 52.11 C ATOM 943 CZ PHE A 59 7.508 -17.154 6.331 1.00 33.22 C ATOM 0 H PHE A 59 7.814 -20.074 2.040 1.00 1.31 H new ATOM 0 HA PHE A 59 10.515 -19.955 3.254 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.063 -21.414 4.303 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.609 -21.235 5.108 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.311 -18.981 5.953 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.406 -19.692 4.410 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.512 -16.927 7.035 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.604 -17.635 5.487 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.156 -16.252 6.808 1.00 33.22 H new ATOM 953 N ALA A 60 11.056 -22.382 2.743 1.00 64.33 N ATOM 954 CA ALA A 60 11.476 -23.655 2.172 1.00 61.55 C ATOM 955 C ALA A 60 11.487 -24.755 3.229 1.00 45.11 C ATOM 956 O ALA A 60 12.105 -24.607 4.283 1.00 31.21 O ATOM 957 CB ALA A 60 12.850 -23.520 1.533 1.00 21.41 C ATOM 0 H ALA A 60 11.723 -21.973 3.398 1.00 64.33 H new ATOM 0 HA ALA A 60 10.756 -23.934 1.403 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.151 -24.479 1.111 1.00 21.41 H new ATOM 0 HB2 ALA A 60 12.811 -22.771 0.742 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.574 -23.213 2.288 1.00 21.41 H new ATOM 963 N ARG A 61 10.800 -25.855 2.940 1.00 41.23 N ATOM 964 CA ARG A 61 10.730 -26.978 3.867 1.00 72.14 C ATOM 965 C ARG A 61 11.973 -27.855 3.753 1.00 20.13 C ATOM 966 O ARG A 61 12.465 -28.114 2.655 1.00 1.01 O ATOM 967 CB ARG A 61 9.478 -27.813 3.596 1.00 64.24 C ATOM 968 CG ARG A 61 9.282 -28.954 4.581 1.00 32.03 C ATOM 969 CD ARG A 61 9.878 -30.250 4.057 1.00 70.43 C ATOM 970 NE ARG A 61 8.928 -30.998 3.237 1.00 4.21 N ATOM 971 CZ ARG A 61 9.283 -31.961 2.393 1.00 31.53 C ATOM 972 NH1 ARG A 61 10.561 -32.291 2.259 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 8.360 -32.595 1.682 1.00 24.30 N ATOM 0 H ARG A 61 10.284 -25.993 2.071 1.00 41.23 H new ATOM 0 HA ARG A 61 10.680 -26.578 4.880 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.604 -27.163 3.628 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.535 -28.221 2.587 1.00 64.24 H new ATOM 0 HG2 ARG A 61 9.746 -28.698 5.533 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.218 -29.093 4.772 1.00 32.03 H new ATOM 0 HD2 ARG A 61 10.768 -30.028 3.469 1.00 70.43 H new ATOM 0 HD3 ARG A 61 10.197 -30.868 4.897 1.00 70.43 H new ATOM 0 HE ARG A 61 7.937 -30.768 3.317 1.00 4.21 H new ATOM 0 HH11 ARG A 61 11.273 -31.805 2.804 1.00 71.04 H new ATOM 0 HH12 ARG A 61 10.831 -33.030 1.611 1.00 71.04 H new ATOM 0 HH21 ARG A 61 7.377 -32.343 1.783 1.00 24.30 H new ATOM 0 HH22 ARG A 61 8.634 -33.334 1.034 1.00 24.30 H new ATOM 987 N LYS A 62 12.477 -28.307 4.896 1.00 10.33 N ATOM 988 CA LYS A 62 13.663 -29.155 4.927 1.00 21.43 C ATOM 989 C LYS A 62 13.420 -30.400 5.774 1.00 75.40 C ATOM 990 O LYS A 62 12.871 -30.317 6.873 1.00 2.42 O ATOM 991 CB LYS A 62 14.860 -28.376 5.478 1.00 43.22 C ATOM 992 CG LYS A 62 15.523 -27.474 4.452 1.00 41.54 C ATOM 993 CD LYS A 62 16.130 -26.242 5.102 1.00 43.23 C ATOM 994 CE LYS A 62 17.645 -26.347 5.188 1.00 43.44 C ATOM 995 NZ LYS A 62 18.268 -25.056 5.593 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.083 -28.100 5.814 1.00 10.33 H new ATOM 0 HA LYS A 62 13.881 -29.468 3.906 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.531 -27.771 6.323 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.598 -29.082 5.859 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.300 -28.029 3.926 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.789 -27.169 3.706 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.858 -25.355 4.529 1.00 43.23 H new ATOM 0 HD3 LYS A 62 15.716 -26.115 6.102 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.915 -27.122 5.906 1.00 43.44 H new ATOM 0 HE3 LYS A 62 18.043 -26.655 4.221 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.301 -25.169 5.640 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.031 -24.322 4.895 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 17.907 -24.774 6.527 1.00 24.24 H new ATOM 1009 N ASP A 63 13.833 -31.553 5.257 1.00 23.54 N ATOM 1010 CA ASP A 63 13.662 -32.814 5.968 1.00 42.41 C ATOM 1011 C ASP A 63 14.602 -32.894 7.167 1.00 73.33 C ATOM 1012 O ASP A 63 15.820 -32.970 7.010 1.00 62.32 O ATOM 1013 CB ASP A 63 13.915 -33.992 5.027 1.00 73.01 C ATOM 1014 CG ASP A 63 12.742 -34.952 4.972 1.00 64.14 C ATOM 1015 OD1 ASP A 63 12.091 -35.152 6.019 1.00 40.11 O ATOM 1016 OD2 ASP A 63 12.476 -35.503 3.884 1.00 60.22 O1- ATOM 0 H ASP A 63 14.288 -31.640 4.348 1.00 23.54 H new ATOM 0 HA ASP A 63 12.635 -32.862 6.331 1.00 42.41 H new ATOM 0 HB2 ASP A 63 14.120 -33.615 4.025 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.805 -34.529 5.353 1.00 73.01 H new ATOM 1021 N VAL A 64 14.027 -32.875 8.366 1.00 22.25 N ATOM 1022 CA VAL A 64 14.813 -32.946 9.592 1.00 63.30 C ATOM 1023 C VAL A 64 15.383 -34.344 9.800 1.00 51.12 C ATOM 1024 O VAL A 64 14.651 -35.286 10.103 1.00 75.14 O ATOM 1025 CB VAL A 64 13.970 -32.559 10.822 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.802 -32.653 12.091 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.393 -31.161 10.654 1.00 14.04 C ATOM 0 H VAL A 64 13.020 -32.811 8.514 1.00 22.25 H new ATOM 0 HA VAL A 64 15.633 -32.236 9.484 1.00 63.30 H new ATOM 0 HB VAL A 64 13.141 -33.261 10.908 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.190 -32.376 12.949 1.00 52.52 H new ATOM 0 HG12 VAL A 64 15.161 -33.675 12.216 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.653 -31.976 12.019 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.800 -30.904 11.532 1.00 14.04 H new ATOM 0 HG22 VAL A 64 14.205 -30.443 10.542 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.759 -31.133 9.768 1.00 14.04 H new ATOM 1037 N VAL A 65 16.696 -34.472 9.634 1.00 11.54 N ATOM 1038 CA VAL A 65 17.367 -35.755 9.805 1.00 13.21 C ATOM 1039 C VAL A 65 18.677 -35.594 10.567 1.00 31.21 C ATOM 1040 O VAL A 65 19.318 -34.545 10.505 1.00 25.11 O ATOM 1041 CB VAL A 65 17.654 -36.424 8.447 1.00 54.34 C ATOM 1042 CG1 VAL A 65 16.362 -36.908 7.807 1.00 54.12 C ATOM 1043 CG2 VAL A 65 18.388 -35.462 7.526 1.00 31.51 C ATOM 0 H VAL A 65 17.316 -33.702 9.381 1.00 11.54 H new ATOM 0 HA VAL A 65 16.693 -36.390 10.379 1.00 13.21 H new ATOM 0 HB VAL A 65 18.294 -37.290 8.615 1.00 54.34 H new ATOM 0 HG11 VAL A 65 16.584 -37.378 6.849 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.880 -37.633 8.463 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.694 -36.061 7.650 1.00 54.12 H new ATOM 0 HG21 VAL A 65 18.583 -35.950 6.571 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.775 -34.576 7.362 1.00 31.51 H new ATOM 0 HG23 VAL A 65 19.333 -35.170 7.984 1.00 31.51 H new ATOM 1053 N ASP A 66 19.070 -36.640 11.285 1.00 62.52 N ATOM 1054 CA ASP A 66 20.306 -36.616 12.059 1.00 23.33 C ATOM 1055 C ASP A 66 21.486 -36.206 11.185 1.00 21.04 C ATOM 1056 O ASP A 66 22.404 -35.528 11.644 1.00 0.24 O ATOM 1057 CB ASP A 66 20.568 -37.987 12.683 1.00 11.32 C ATOM 1058 CG ASP A 66 21.621 -37.935 13.773 1.00 10.50 C ATOM 1059 OD1 ASP A 66 22.778 -37.580 13.464 1.00 32.13 O ATOM 1060 OD2 ASP A 66 21.288 -38.248 14.935 1.00 75.33 O1- ATOM 0 H ASP A 66 18.551 -37.516 11.347 1.00 62.52 H new ATOM 0 HA ASP A 66 20.194 -35.879 12.855 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.639 -38.378 13.098 1.00 11.32 H new ATOM 0 HB3 ASP A 66 20.887 -38.682 11.906 1.00 11.32 H new ATOM 1065 N GLU A 67 21.455 -36.624 9.923 1.00 15.03 N ATOM 1066 CA GLU A 67 22.524 -36.301 8.986 1.00 31.11 C ATOM 1067 C GLU A 67 21.961 -36.010 7.597 1.00 50.23 C ATOM 1068 O GLU A 67 21.004 -36.648 7.157 1.00 63.43 O ATOM 1069 CB GLU A 67 23.530 -37.452 8.909 1.00 55.42 C ATOM 1070 CG GLU A 67 23.983 -37.956 10.269 1.00 72.25 C ATOM 1071 CD GLU A 67 25.286 -38.727 10.201 1.00 31.21 C ATOM 1072 OE1 GLU A 67 25.250 -39.926 9.853 1.00 71.05 O ATOM 1073 OE2 GLU A 67 26.343 -38.131 10.497 1.00 25.33 O1- ATOM 0 H GLU A 67 20.702 -37.186 9.527 1.00 15.03 H new ATOM 0 HA GLU A 67 23.032 -35.407 9.348 1.00 31.11 H new ATOM 0 HB2 GLU A 67 23.083 -38.278 8.355 1.00 55.42 H new ATOM 0 HB3 GLU A 67 24.402 -37.124 8.343 1.00 55.42 H new ATOM 0 HG2 GLU A 67 24.101 -37.109 10.945 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.208 -38.596 10.692 1.00 72.25 H new ATOM 1080 N VAL A 68 22.561 -35.043 6.911 1.00 15.43 N ATOM 1081 CA VAL A 68 22.122 -34.667 5.574 1.00 65.11 C ATOM 1082 C VAL A 68 22.076 -35.878 4.650 1.00 4.00 C ATOM 1083 O VAL A 68 23.094 -36.529 4.409 1.00 42.11 O ATOM 1084 CB VAL A 68 23.047 -33.600 4.958 1.00 61.52 C ATOM 1085 CG1 VAL A 68 22.609 -33.269 3.539 1.00 71.34 C ATOM 1086 CG2 VAL A 68 23.069 -32.350 5.824 1.00 63.52 C ATOM 0 H VAL A 68 23.354 -34.505 7.261 1.00 15.43 H new ATOM 0 HA VAL A 68 21.119 -34.252 5.676 1.00 65.11 H new ATOM 0 HB VAL A 68 24.059 -34.002 4.916 1.00 61.52 H new ATOM 0 HG11 VAL A 68 23.274 -32.514 3.120 1.00 71.34 H new ATOM 0 HG12 VAL A 68 22.651 -34.169 2.926 1.00 71.34 H new ATOM 0 HG13 VAL A 68 21.588 -32.886 3.553 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.727 -31.607 5.374 1.00 63.52 H new ATOM 0 HG22 VAL A 68 22.061 -31.943 5.901 1.00 63.52 H new ATOM 0 HG23 VAL A 68 23.435 -32.603 6.819 1.00 63.52 H new ATOM 1096 N TYR A 69 20.889 -36.177 4.133 1.00 32.10 N ATOM 1097 CA TYR A 69 20.709 -37.313 3.236 1.00 32.14 C ATOM 1098 C TYR A 69 20.280 -36.848 1.848 1.00 61.22 C ATOM 1099 O TYR A 69 20.517 -37.531 0.851 1.00 10.20 O ATOM 1100 CB TYR A 69 19.671 -38.279 3.806 1.00 62.24 C ATOM 1101 CG TYR A 69 20.264 -39.358 4.685 1.00 44.51 C ATOM 1102 CD1 TYR A 69 21.011 -40.394 4.138 1.00 73.44 C ATOM 1103 CD2 TYR A 69 20.079 -39.339 6.062 1.00 23.33 C ATOM 1104 CE1 TYR A 69 21.554 -41.381 4.937 1.00 1.01 C ATOM 1105 CE2 TYR A 69 20.620 -40.320 6.869 1.00 60.10 C ATOM 1106 CZ TYR A 69 21.356 -41.340 6.301 1.00 34.24 C ATOM 1107 OH TYR A 69 21.897 -42.320 7.101 1.00 60.13 O ATOM 0 H TYR A 69 20.037 -35.648 4.320 1.00 32.10 H new ATOM 0 HA TYR A 69 21.665 -37.829 3.147 1.00 32.14 H new ATOM 0 HB2 TYR A 69 18.939 -37.713 4.383 1.00 62.24 H new ATOM 0 HB3 TYR A 69 19.133 -38.748 2.982 1.00 62.24 H new ATOM 0 HD1 TYR A 69 21.170 -40.428 3.070 1.00 73.44 H new ATOM 0 HD2 TYR A 69 19.502 -38.543 6.509 1.00 23.33 H new ATOM 0 HE1 TYR A 69 22.131 -42.181 4.496 1.00 1.01 H new ATOM 0 HE2 TYR A 69 20.468 -40.289 7.938 1.00 60.10 H new ATOM 0 HH TYR A 69 21.665 -42.143 8.037 1.00 60.13 H new ATOM 1117 N ASP A 70 19.648 -35.680 1.791 1.00 20.02 N ATOM 1118 CA ASP A 70 19.187 -35.121 0.526 1.00 33.31 C ATOM 1119 C ASP A 70 19.877 -33.792 0.235 1.00 24.14 C ATOM 1120 O ASP A 70 19.498 -32.755 0.778 1.00 24.10 O ATOM 1121 CB ASP A 70 17.670 -34.928 0.552 1.00 13.03 C ATOM 1122 CG ASP A 70 16.926 -36.094 -0.068 1.00 63.42 C ATOM 1123 OD1 ASP A 70 17.445 -36.675 -1.043 1.00 60.34 O ATOM 1124 OD2 ASP A 70 15.826 -36.424 0.421 1.00 62.25 O1- ATOM 0 H ASP A 70 19.444 -35.102 2.607 1.00 20.02 H new ATOM 0 HA ASP A 70 19.442 -35.823 -0.268 1.00 33.31 H new ATOM 0 HB2 ASP A 70 17.341 -34.798 1.583 1.00 13.03 H new ATOM 0 HB3 ASP A 70 17.414 -34.013 0.018 1.00 13.03 H new ATOM 1129 N GLN A 71 20.891 -33.833 -0.622 1.00 45.13 N ATOM 1130 CA GLN A 71 21.635 -32.633 -0.983 1.00 73.34 C ATOM 1131 C GLN A 71 20.703 -31.561 -1.539 1.00 44.25 C ATOM 1132 O GLN A 71 21.007 -30.369 -1.481 1.00 55.10 O ATOM 1133 CB GLN A 71 22.717 -32.967 -2.012 1.00 71.25 C ATOM 1134 CG GLN A 71 23.710 -34.014 -1.532 1.00 52.44 C ATOM 1135 CD GLN A 71 24.775 -33.436 -0.622 1.00 44.52 C ATOM 1136 OE1 GLN A 71 25.721 -32.796 -1.084 1.00 34.54 O ATOM 1137 NE2 GLN A 71 24.627 -33.658 0.678 1.00 51.40 N ATOM 0 H GLN A 71 21.216 -34.685 -1.080 1.00 45.13 H new ATOM 0 HA GLN A 71 22.109 -32.246 -0.081 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.241 -33.322 -2.926 1.00 71.25 H new ATOM 0 HB3 GLN A 71 23.258 -32.056 -2.268 1.00 71.25 H new ATOM 0 HG2 GLN A 71 23.174 -34.802 -1.003 1.00 52.44 H new ATOM 0 HG3 GLN A 71 24.188 -34.478 -2.395 1.00 52.44 H new ATOM 0 HE21 GLN A 71 23.828 -34.194 1.016 1.00 51.40 H new ATOM 0 HE22 GLN A 71 25.313 -33.293 1.339 1.00 51.40 H new ATOM 1146 N ARG A 72 19.567 -31.993 -2.076 1.00 4.45 N ATOM 1147 CA ARG A 72 18.591 -31.071 -2.643 1.00 31.14 C ATOM 1148 C ARG A 72 17.953 -30.215 -1.552 1.00 3.13 C ATOM 1149 O ARG A 72 17.772 -29.009 -1.721 1.00 25.45 O ATOM 1150 CB ARG A 72 17.508 -31.842 -3.400 1.00 14.31 C ATOM 1151 CG ARG A 72 16.792 -32.879 -2.549 1.00 43.23 C ATOM 1152 CD ARG A 72 15.824 -33.708 -3.379 1.00 44.31 C ATOM 1153 NE ARG A 72 16.509 -34.472 -4.418 1.00 31.03 N ATOM 1154 CZ ARG A 72 15.882 -35.257 -5.287 1.00 1.35 C ATOM 1155 NH1 ARG A 72 14.563 -35.381 -5.242 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 16.574 -35.920 -6.204 1.00 72.31 N ATOM 0 H ARG A 72 19.300 -32.976 -2.130 1.00 4.45 H new ATOM 0 HA ARG A 72 19.112 -30.413 -3.339 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.775 -31.135 -3.789 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.960 -32.338 -4.259 1.00 14.31 H new ATOM 0 HG2 ARG A 72 17.525 -33.535 -2.080 1.00 43.23 H new ATOM 0 HG3 ARG A 72 16.250 -32.381 -1.746 1.00 43.23 H new ATOM 0 HD2 ARG A 72 15.280 -34.391 -2.726 1.00 44.31 H new ATOM 0 HD3 ARG A 72 15.086 -33.051 -3.839 1.00 44.31 H new ATOM 0 HE ARG A 72 17.524 -34.399 -4.480 1.00 31.03 H new ATOM 0 HH11 ARG A 72 14.027 -34.873 -4.539 1.00 20.14 H new ATOM 0 HH12 ARG A 72 14.084 -35.985 -5.911 1.00 20.14 H new ATOM 0 HH21 ARG A 72 17.589 -35.827 -6.243 1.00 72.31 H new ATOM 0 HH22 ARG A 72 16.091 -36.522 -6.871 1.00 72.31 H new ATOM 1170 N LEU A 73 17.614 -30.848 -0.435 1.00 3.20 N ATOM 1171 CA LEU A 73 16.995 -30.145 0.684 1.00 51.45 C ATOM 1172 C LEU A 73 17.003 -31.009 1.941 1.00 42.22 C ATOM 1173 O LEU A 73 16.450 -32.108 1.953 1.00 32.31 O ATOM 1174 CB LEU A 73 15.560 -29.750 0.333 1.00 24.54 C ATOM 1175 CG LEU A 73 14.573 -30.901 0.147 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.675 -31.037 1.367 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.739 -30.692 -1.109 1.00 14.14 C ATOM 0 H LEU A 73 17.757 -31.846 -0.279 1.00 3.20 H new ATOM 0 HA LEU A 73 17.576 -29.244 0.881 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.182 -29.097 1.120 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.580 -29.164 -0.586 1.00 24.54 H new ATOM 0 HG LEU A 73 15.140 -31.825 0.033 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.979 -31.862 1.216 1.00 70.54 H new ATOM 0 HD12 LEU A 73 14.286 -31.234 2.248 1.00 70.54 H new ATOM 0 HD13 LEU A 73 13.116 -30.112 1.512 1.00 70.54 H new ATOM 0 HD21 LEU A 73 13.042 -31.522 -1.225 1.00 14.14 H new ATOM 0 HD22 LEU A 73 13.182 -29.759 -1.025 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.395 -30.645 -1.978 1.00 14.14 H new ATOM 1189 N GLU A 74 17.633 -30.503 2.997 1.00 52.14 N ATOM 1190 CA GLU A 74 17.711 -31.229 4.259 1.00 53.33 C ATOM 1191 C GLU A 74 18.107 -30.296 5.399 1.00 31.14 C ATOM 1192 O GLU A 74 18.575 -29.181 5.169 1.00 54.40 O ATOM 1193 CB GLU A 74 18.717 -32.378 4.152 1.00 34.50 C ATOM 1194 CG GLU A 74 18.298 -33.627 4.908 1.00 5.55 C ATOM 1195 CD GLU A 74 17.468 -34.570 4.060 1.00 50.11 C ATOM 1196 OE1 GLU A 74 16.406 -34.143 3.561 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.880 -35.738 3.895 1.00 54.12 O1- ATOM 0 H GLU A 74 18.096 -29.594 3.003 1.00 52.14 H new ATOM 0 HA GLU A 74 16.724 -31.639 4.474 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.857 -32.630 3.101 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.682 -32.041 4.531 1.00 34.50 H new ATOM 0 HG2 GLU A 74 19.187 -34.149 5.261 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.726 -33.339 5.790 1.00 5.55 H new ATOM 1204 N ILE A 75 17.917 -30.761 6.630 1.00 62.14 N ATOM 1205 CA ILE A 75 18.255 -29.970 7.806 1.00 30.31 C ATOM 1206 C ILE A 75 18.624 -30.864 8.984 1.00 75.04 C ATOM 1207 O ILE A 75 17.869 -31.764 9.354 1.00 14.04 O ATOM 1208 CB ILE A 75 17.091 -29.050 8.220 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.447 -28.280 9.493 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.821 -29.863 8.423 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.169 -26.796 9.401 1.00 31.35 C ATOM 0 H ILE A 75 17.531 -31.682 6.838 1.00 62.14 H new ATOM 0 HA ILE A 75 19.114 -29.357 7.536 1.00 30.31 H new ATOM 0 HB ILE A 75 16.915 -28.330 7.421 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.884 -28.696 10.328 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.504 -28.430 9.715 1.00 4.55 H new ATOM 0 HG21 ILE A 75 15.007 -29.200 8.715 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.561 -30.369 7.493 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.984 -30.604 9.206 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.446 -26.315 10.339 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.753 -26.366 8.587 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.108 -26.636 9.210 1.00 31.35 H new ATOM 1223 N SER A 76 19.790 -30.612 9.570 1.00 72.03 N ATOM 1224 CA SER A 76 20.261 -31.396 10.705 1.00 2.32 C ATOM 1225 C SER A 76 19.351 -31.203 11.915 1.00 11.44 C ATOM 1226 O SER A 76 18.911 -30.089 12.202 1.00 13.53 O ATOM 1227 CB SER A 76 21.695 -31.003 11.065 1.00 63.42 C ATOM 1228 OG SER A 76 22.353 -32.050 11.758 1.00 63.00 O ATOM 0 H SER A 76 20.426 -29.870 9.277 1.00 72.03 H new ATOM 0 HA SER A 76 20.240 -32.448 10.420 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.247 -30.760 10.157 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.685 -30.104 11.682 1.00 63.42 H new ATOM 0 HG SER A 76 23.268 -31.774 11.975 1.00 63.00 H new ATOM 1234 N ILE A 77 19.072 -32.295 12.619 1.00 32.21 N ATOM 1235 CA ILE A 77 18.216 -32.245 13.797 1.00 42.24 C ATOM 1236 C ILE A 77 18.675 -31.160 14.765 1.00 3.30 C ATOM 1237 O ILE A 77 17.856 -30.482 15.385 1.00 62.34 O ATOM 1238 CB ILE A 77 18.193 -33.598 14.532 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.299 -33.514 15.771 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.604 -34.016 14.918 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.851 -33.214 15.453 1.00 2.10 C ATOM 0 H ILE A 77 19.426 -33.225 12.394 1.00 32.21 H new ATOM 0 HA ILE A 77 17.210 -32.013 13.447 1.00 42.24 H new ATOM 0 HB ILE A 77 17.783 -34.352 13.861 1.00 2.05 H new ATOM 0 HG12 ILE A 77 17.355 -34.457 16.314 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.684 -32.740 16.435 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.571 -34.974 15.437 1.00 44.33 H new ATOM 0 HG22 ILE A 77 20.214 -34.111 14.020 1.00 44.33 H new ATOM 0 HG23 ILE A 77 20.040 -33.263 15.575 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.277 -33.169 16.379 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.783 -32.256 14.937 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.448 -34.000 14.814 1.00 2.10 H new ATOM 1253 N GLU A 78 19.989 -31.002 14.889 1.00 30.11 N ATOM 1254 CA GLU A 78 20.557 -29.998 15.781 1.00 0.34 C ATOM 1255 C GLU A 78 20.357 -28.594 15.218 1.00 42.21 C ATOM 1256 O GLU A 78 20.197 -27.632 15.968 1.00 45.21 O ATOM 1257 CB GLU A 78 22.047 -30.264 16.002 1.00 12.10 C ATOM 1258 CG GLU A 78 22.872 -30.202 14.728 1.00 52.02 C ATOM 1259 CD GLU A 78 24.334 -30.529 14.962 1.00 3.31 C ATOM 1260 OE1 GLU A 78 25.058 -29.659 15.493 1.00 44.14 O ATOM 1261 OE2 GLU A 78 24.755 -31.652 14.615 1.00 41.43 O1- ATOM 0 H GLU A 78 20.680 -31.556 14.383 1.00 30.11 H new ATOM 0 HA GLU A 78 20.038 -30.064 16.737 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.436 -29.535 16.713 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.168 -31.248 16.456 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.460 -30.900 13.999 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.792 -29.205 14.296 1.00 52.02 H new ATOM 1268 N GLU A 79 20.369 -28.488 13.893 1.00 34.12 N ATOM 1269 CA GLU A 79 20.191 -27.202 13.230 1.00 41.22 C ATOM 1270 C GLU A 79 18.806 -26.629 13.517 1.00 73.11 C ATOM 1271 O GLU A 79 18.672 -25.475 13.924 1.00 3.25 O ATOM 1272 CB GLU A 79 20.391 -27.349 11.720 1.00 40.51 C ATOM 1273 CG GLU A 79 20.424 -26.024 10.978 1.00 71.40 C ATOM 1274 CD GLU A 79 20.749 -26.187 9.506 1.00 23.32 C ATOM 1275 OE1 GLU A 79 20.513 -27.287 8.964 1.00 25.22 O ATOM 1276 OE2 GLU A 79 21.240 -25.215 8.895 1.00 73.13 O1- ATOM 0 H GLU A 79 20.500 -29.276 13.259 1.00 34.12 H new ATOM 0 HA GLU A 79 20.939 -26.513 13.623 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.324 -27.882 11.536 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.587 -27.963 11.314 1.00 40.51 H new ATOM 0 HG2 GLU A 79 19.457 -25.531 11.080 1.00 71.40 H new ATOM 0 HG3 GLU A 79 21.165 -25.372 11.440 1.00 71.40 H new ATOM 1283 N ALA A 80 17.779 -27.442 13.300 1.00 23.40 N ATOM 1284 CA ALA A 80 16.404 -27.019 13.536 1.00 41.12 C ATOM 1285 C ALA A 80 16.224 -26.507 14.961 1.00 13.05 C ATOM 1286 O ALA A 80 15.447 -25.585 15.205 1.00 13.31 O ATOM 1287 CB ALA A 80 15.442 -28.165 13.260 1.00 63.34 C ATOM 0 H ALA A 80 17.873 -28.399 12.960 1.00 23.40 H new ATOM 0 HA ALA A 80 16.181 -26.200 12.852 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.420 -27.833 13.441 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.542 -28.482 12.222 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.674 -29.002 13.919 1.00 63.34 H new ATOM 1293 N GLN A 81 16.949 -27.111 15.897 1.00 53.33 N ATOM 1294 CA GLN A 81 16.867 -26.717 17.299 1.00 55.10 C ATOM 1295 C GLN A 81 17.405 -25.303 17.499 1.00 65.05 C ATOM 1296 O GLN A 81 16.980 -24.590 18.406 1.00 13.14 O ATOM 1297 CB GLN A 81 17.648 -27.700 18.174 1.00 55.14 C ATOM 1298 CG GLN A 81 17.051 -29.098 18.197 1.00 15.04 C ATOM 1299 CD GLN A 81 17.943 -30.100 18.903 1.00 74.24 C ATOM 1300 OE1 GLN A 81 18.844 -29.726 19.655 1.00 60.45 O ATOM 1301 NE2 GLN A 81 17.697 -31.384 18.664 1.00 12.11 N ATOM 0 H GLN A 81 17.599 -27.874 15.710 1.00 53.33 H new ATOM 0 HA GLN A 81 15.818 -26.733 17.594 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.675 -27.758 17.814 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.689 -27.314 19.193 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.081 -29.067 18.694 1.00 15.04 H new ATOM 0 HG3 GLN A 81 16.875 -29.431 17.174 1.00 15.04 H new ATOM 0 HE21 GLN A 81 16.940 -31.650 18.034 1.00 12.11 H new ATOM 0 HE22 GLN A 81 18.265 -32.104 19.111 1.00 12.11 H new ATOM 1310 N GLY A 82 18.343 -24.906 16.644 1.00 10.33 N ATOM 1311 CA GLY A 82 18.923 -23.579 16.743 1.00 0.41 C ATOM 1312 C GLY A 82 17.874 -22.486 16.743 1.00 3.45 C ATOM 1313 O GLY A 82 18.039 -21.457 17.401 1.00 20.11 O ATOM 0 H GLY A 82 18.711 -25.479 15.885 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.514 -23.511 17.657 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.607 -23.422 15.909 1.00 0.41 H new ATOM 1317 N ILE A 83 16.792 -22.707 16.004 1.00 31.40 N ATOM 1318 CA ILE A 83 15.711 -21.730 15.922 1.00 1.12 C ATOM 1319 C ILE A 83 14.452 -22.244 16.611 1.00 73.35 C ATOM 1320 O ILE A 83 13.601 -21.462 17.037 1.00 13.12 O ATOM 1321 CB ILE A 83 15.377 -21.384 14.459 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.807 -22.607 13.740 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.615 -20.870 13.740 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.448 -22.346 12.293 1.00 2.43 C ATOM 0 H ILE A 83 16.640 -23.552 15.454 1.00 31.40 H new ATOM 0 HA ILE A 83 16.058 -20.831 16.430 1.00 1.12 H new ATOM 0 HB ILE A 83 14.623 -20.597 14.451 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.535 -23.417 13.785 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.918 -22.948 14.270 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.363 -20.630 12.707 1.00 22.22 H new ATOM 0 HG22 ILE A 83 16.982 -19.974 14.242 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.389 -21.637 13.755 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.050 -23.257 11.847 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.696 -21.558 12.241 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.339 -22.034 11.748 1.00 2.43 H new ATOM 1336 N HIS A 84 14.340 -23.565 16.720 1.00 63.03 N ATOM 1337 CA HIS A 84 13.185 -24.184 17.361 1.00 54.51 C ATOM 1338 C HIS A 84 13.524 -25.589 17.849 1.00 12.33 C ATOM 1339 O HIS A 84 13.500 -26.560 17.091 1.00 53.42 O ATOM 1340 CB HIS A 84 12.006 -24.240 16.389 1.00 32.52 C ATOM 1341 CG HIS A 84 10.700 -23.852 17.011 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.301 -24.286 18.258 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.699 -23.064 16.551 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.112 -23.784 18.537 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.725 -23.039 17.517 1.00 13.00 N ATOM 0 H HIS A 84 15.035 -24.226 16.373 1.00 63.03 H new ATOM 0 HA HIS A 84 12.908 -23.576 18.222 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.209 -23.579 15.546 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.923 -25.251 15.989 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.672 -22.551 15.601 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.551 -23.954 19.444 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.844 -22.528 17.457 1.00 13.00 H new ATOM 1353 N PRO A 85 13.849 -25.703 19.146 1.00 51.33 N ATOM 1354 CA PRO A 85 14.199 -26.985 19.764 1.00 21.45 C ATOM 1355 C PRO A 85 12.999 -27.919 19.882 1.00 1.12 C ATOM 1356 O PRO A 85 13.143 -29.085 20.247 1.00 55.23 O ATOM 1357 CB PRO A 85 14.703 -26.583 21.153 1.00 54.51 C ATOM 1358 CG PRO A 85 14.035 -25.281 21.435 1.00 23.33 C ATOM 1359 CD PRO A 85 13.900 -24.589 20.107 1.00 35.21 C ATOM 0 HA PRO A 85 14.930 -27.536 19.173 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.443 -27.332 21.901 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.788 -26.483 21.167 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.059 -25.435 21.896 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.625 -24.682 22.129 1.00 23.33 H new ATOM 0 HD2 PRO A 85 12.999 -23.978 20.062 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.744 -23.927 19.911 1.00 35.21 H new ATOM 1367 N GLU A 86 11.817 -27.397 19.570 1.00 11.24 N ATOM 1368 CA GLU A 86 10.593 -28.186 19.642 1.00 2.30 C ATOM 1369 C GLU A 86 10.523 -29.188 18.493 1.00 54.33 C ATOM 1370 O GLU A 86 9.782 -30.170 18.556 1.00 72.01 O ATOM 1371 CB GLU A 86 9.367 -27.271 19.609 1.00 32.11 C ATOM 1372 CG GLU A 86 9.180 -26.458 20.880 1.00 10.02 C ATOM 1373 CD GLU A 86 7.782 -25.884 21.005 1.00 32.22 C ATOM 1374 OE1 GLU A 86 6.931 -26.201 20.147 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 7.539 -25.119 21.962 1.00 32.50 O ATOM 0 H GLU A 86 11.681 -26.433 19.266 1.00 11.24 H new ATOM 0 HA GLU A 86 10.602 -28.737 20.582 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.455 -26.591 18.762 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.476 -27.877 19.441 1.00 32.11 H new ATOM 0 HG2 GLU A 86 9.388 -27.089 21.744 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.905 -25.645 20.897 1.00 10.02 H new ATOM 1382 N TYR A 87 11.298 -28.933 17.446 1.00 13.33 N ATOM 1383 CA TYR A 87 11.323 -29.810 16.281 1.00 62.40 C ATOM 1384 C TYR A 87 11.690 -31.236 16.681 1.00 30.01 C ATOM 1385 O TYR A 87 11.921 -31.523 17.856 1.00 64.21 O ATOM 1386 CB TYR A 87 12.318 -29.288 15.243 1.00 41.24 C ATOM 1387 CG TYR A 87 11.800 -28.110 14.448 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.517 -28.117 13.914 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.594 -26.992 14.231 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.041 -27.044 13.187 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.126 -25.913 13.506 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.849 -25.944 12.986 1.00 73.33 C ATOM 1393 OH TYR A 87 10.378 -24.872 12.262 1.00 33.41 O ATOM 0 H TYR A 87 11.918 -28.126 17.379 1.00 13.33 H new ATOM 0 HA TYR A 87 10.324 -29.819 15.844 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.239 -28.998 15.748 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.572 -30.096 14.557 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.882 -28.976 14.070 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.595 -26.965 14.636 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.042 -27.066 12.778 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.756 -25.050 13.347 1.00 41.22 H new ATOM 0 HH TYR A 87 10.800 -24.048 12.585 1.00 33.41 H new ATOM 1403 N MET A 88 11.742 -32.126 15.696 1.00 30.33 N ATOM 1404 CA MET A 88 12.082 -33.522 15.943 1.00 15.53 C ATOM 1405 C MET A 88 12.430 -34.236 14.640 1.00 10.42 C ATOM 1406 O MET A 88 11.907 -33.901 13.578 1.00 24.25 O ATOM 1407 CB MET A 88 10.922 -34.237 16.637 1.00 14.22 C ATOM 1408 CG MET A 88 11.309 -35.576 17.243 1.00 4.24 C ATOM 1409 SD MET A 88 12.321 -35.401 18.725 1.00 21.05 S ATOM 1410 CE MET A 88 13.879 -36.076 18.151 1.00 34.51 C ATOM 0 H MET A 88 11.553 -31.905 14.718 1.00 30.33 H new ATOM 0 HA MET A 88 12.956 -33.547 16.594 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.527 -33.593 17.422 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.118 -34.392 15.917 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.405 -36.134 17.489 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.854 -36.162 16.503 1.00 4.24 H new ATOM 0 HE1 MET A 88 14.464 -36.417 19.005 1.00 34.51 H new ATOM 0 HE2 MET A 88 13.688 -36.916 17.483 1.00 34.51 H new ATOM 0 HE3 MET A 88 14.434 -35.306 17.615 1.00 34.51 H new ATOM 1420 N VAL A 89 13.317 -35.222 14.731 1.00 2.14 N ATOM 1421 CA VAL A 89 13.734 -35.985 13.559 1.00 32.25 C ATOM 1422 C VAL A 89 12.528 -36.508 12.786 1.00 31.51 C ATOM 1423 O VAL A 89 11.708 -37.251 13.324 1.00 22.02 O ATOM 1424 CB VAL A 89 14.633 -37.172 13.953 1.00 43.25 C ATOM 1425 CG1 VAL A 89 15.103 -37.919 12.714 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.817 -36.692 14.778 1.00 64.13 C ATOM 0 H VAL A 89 13.761 -35.511 15.603 1.00 2.14 H new ATOM 0 HA VAL A 89 14.301 -35.305 12.924 1.00 32.25 H new ATOM 0 HB VAL A 89 14.050 -37.861 14.564 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.737 -38.754 13.011 1.00 5.33 H new ATOM 0 HG12 VAL A 89 14.239 -38.296 12.167 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.670 -37.243 12.075 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.442 -37.544 15.048 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.403 -35.982 14.194 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.456 -36.206 15.684 1.00 64.13 H new ATOM 1436 N GLY A 90 12.428 -36.115 11.520 1.00 61.31 N ATOM 1437 CA GLY A 90 11.318 -36.555 10.694 1.00 5.34 C ATOM 1438 C GLY A 90 10.321 -35.447 10.425 1.00 73.20 C ATOM 1439 O GLY A 90 9.531 -35.528 9.485 1.00 73.05 O ATOM 0 H GLY A 90 13.094 -35.501 11.052 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.702 -36.932 9.746 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.810 -37.385 11.185 1.00 5.34 H new ATOM 1443 N ASP A 91 10.355 -34.408 11.253 1.00 14.12 N ATOM 1444 CA ASP A 91 9.446 -33.279 11.101 1.00 22.15 C ATOM 1445 C ASP A 91 9.864 -32.399 9.927 1.00 32.31 C ATOM 1446 O ASP A 91 10.740 -32.765 9.144 1.00 53.31 O ATOM 1447 CB ASP A 91 9.407 -32.452 12.386 1.00 12.13 C ATOM 1448 CG ASP A 91 8.015 -31.943 12.706 1.00 44.21 C ATOM 1449 OD1 ASP A 91 7.109 -32.780 12.905 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.830 -30.709 12.756 1.00 3.14 O ATOM 0 H ASP A 91 11.003 -34.325 12.036 1.00 14.12 H new ATOM 0 HA ASP A 91 8.449 -33.671 10.901 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.768 -33.059 13.216 1.00 12.13 H new ATOM 0 HB3 ASP A 91 10.087 -31.606 12.290 1.00 12.13 H new ATOM 1455 N VAL A 92 9.230 -31.237 9.810 1.00 31.51 N ATOM 1456 CA VAL A 92 9.536 -30.304 8.731 1.00 42.33 C ATOM 1457 C VAL A 92 9.758 -28.895 9.271 1.00 75.52 C ATOM 1458 O VAL A 92 9.010 -28.421 10.125 1.00 53.31 O ATOM 1459 CB VAL A 92 8.408 -30.268 7.683 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.442 -31.520 6.820 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.055 -30.116 8.360 1.00 61.45 C ATOM 0 H VAL A 92 8.501 -30.919 10.449 1.00 31.51 H new ATOM 0 HA VAL A 92 10.451 -30.658 8.256 1.00 42.33 H new ATOM 0 HB VAL A 92 8.564 -29.404 7.037 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.638 -31.477 6.085 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.401 -31.581 6.305 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.311 -32.400 7.450 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.270 -30.092 7.604 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.887 -30.958 9.031 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.036 -29.188 8.931 1.00 61.45 H new ATOM 1471 N VAL A 93 10.791 -28.229 8.764 1.00 53.22 N ATOM 1472 CA VAL A 93 11.112 -26.874 9.192 1.00 1.40 C ATOM 1473 C VAL A 93 11.066 -25.901 8.019 1.00 13.54 C ATOM 1474 O VAL A 93 11.598 -26.182 6.946 1.00 42.32 O ATOM 1475 CB VAL A 93 12.505 -26.806 9.845 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.567 -27.339 8.896 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.825 -25.381 10.271 1.00 1.50 C ATOM 0 H VAL A 93 11.420 -28.607 8.056 1.00 53.22 H new ATOM 0 HA VAL A 93 10.360 -26.589 9.927 1.00 1.40 H new ATOM 0 HB VAL A 93 12.500 -27.434 10.736 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.544 -27.283 9.375 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.344 -28.376 8.646 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.575 -26.740 7.985 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.813 -25.352 10.730 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.811 -24.729 9.398 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.080 -25.040 10.990 1.00 1.50 H new ATOM 1487 N GLU A 94 10.424 -24.756 8.232 1.00 63.33 N ATOM 1488 CA GLU A 94 10.308 -23.742 7.192 1.00 13.04 C ATOM 1489 C GLU A 94 11.219 -22.553 7.486 1.00 14.14 C ATOM 1490 O GLU A 94 11.248 -22.042 8.606 1.00 22.33 O ATOM 1491 CB GLU A 94 8.858 -23.268 7.069 1.00 72.23 C ATOM 1492 CG GLU A 94 8.039 -24.068 6.070 1.00 51.42 C ATOM 1493 CD GLU A 94 6.546 -23.884 6.260 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.077 -23.986 7.413 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.845 -23.639 5.255 1.00 11.44 O1- ATOM 0 H GLU A 94 9.977 -24.508 9.115 1.00 63.33 H new ATOM 0 HA GLU A 94 10.618 -24.191 6.248 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.381 -23.327 8.047 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.851 -22.219 6.774 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.313 -23.768 5.058 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.286 -25.125 6.167 1.00 51.42 H new ATOM 1502 N ILE A 95 11.962 -22.119 6.473 1.00 43.41 N ATOM 1503 CA ILE A 95 12.873 -20.991 6.623 1.00 24.11 C ATOM 1504 C ILE A 95 12.685 -19.980 5.497 1.00 51.42 C ATOM 1505 O ILE A 95 12.479 -20.353 4.343 1.00 43.44 O ATOM 1506 CB ILE A 95 14.342 -21.453 6.642 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.520 -22.618 7.620 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.256 -20.297 7.016 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.340 -23.976 6.979 1.00 4.40 C ATOM 0 H ILE A 95 11.951 -22.531 5.540 1.00 43.41 H new ATOM 0 HA ILE A 95 12.637 -20.519 7.576 1.00 24.11 H new ATOM 0 HB ILE A 95 14.613 -21.796 5.643 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.515 -22.562 8.062 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.803 -22.511 8.434 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.291 -20.640 7.025 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.146 -19.495 6.286 1.00 24.14 H new ATOM 0 HG23 ILE A 95 14.988 -19.926 8.005 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.480 -24.754 7.729 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.336 -24.051 6.562 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.074 -24.103 6.183 1.00 4.40 H new ATOM 1521 N GLU A 96 12.759 -18.699 5.842 1.00 15.41 N ATOM 1522 CA GLU A 96 12.598 -17.633 4.860 1.00 4.20 C ATOM 1523 C GLU A 96 13.541 -17.837 3.677 1.00 3.25 C ATOM 1524 O GLU A 96 14.760 -17.886 3.841 1.00 21.32 O ATOM 1525 CB GLU A 96 12.858 -16.270 5.505 1.00 33.11 C ATOM 1526 CG GLU A 96 11.905 -15.943 6.641 1.00 44.11 C ATOM 1527 CD GLU A 96 12.549 -15.091 7.717 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.649 -15.454 8.182 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 11.953 -14.059 8.092 1.00 64.34 O ATOM 0 H GLU A 96 12.929 -18.374 6.794 1.00 15.41 H new ATOM 0 HA GLU A 96 11.572 -17.663 4.494 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.881 -16.245 5.881 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.780 -15.496 4.742 1.00 33.11 H new ATOM 0 HG2 GLU A 96 11.035 -15.421 6.242 1.00 44.11 H new ATOM 0 HG3 GLU A 96 11.544 -16.870 7.085 1.00 44.11 H new ATOM 1536 N VAL A 97 12.967 -17.955 2.483 1.00 52.41 N ATOM 1537 CA VAL A 97 13.755 -18.152 1.273 1.00 41.24 C ATOM 1538 C VAL A 97 13.279 -17.234 0.151 1.00 64.02 C ATOM 1539 O VAL A 97 13.621 -17.431 -1.015 1.00 40.42 O ATOM 1540 CB VAL A 97 13.684 -19.613 0.790 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.341 -19.894 0.132 1.00 41.13 C ATOM 1542 CG2 VAL A 97 14.829 -19.913 -0.167 1.00 14.33 C ATOM 0 H VAL A 97 11.959 -17.917 2.329 1.00 52.41 H new ATOM 0 HA VAL A 97 14.787 -17.909 1.524 1.00 41.24 H new ATOM 0 HB VAL A 97 13.781 -20.269 1.655 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.310 -20.931 -0.203 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.540 -19.720 0.851 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.210 -19.232 -0.724 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.764 -20.949 -0.499 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.764 -19.251 -1.030 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.780 -19.754 0.342 1.00 14.33 H new ATOM 1552 N THR A 98 12.489 -16.229 0.513 1.00 74.11 N ATOM 1553 CA THR A 98 11.965 -15.280 -0.461 1.00 21.42 C ATOM 1554 C THR A 98 13.009 -14.228 -0.820 1.00 23.55 C ATOM 1555 O THR A 98 13.747 -13.735 0.033 1.00 72.05 O ATOM 1556 CB THR A 98 10.701 -14.574 0.064 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.083 -13.827 -0.988 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.042 -13.644 1.220 1.00 33.24 C ATOM 0 H THR A 98 12.198 -16.051 1.474 1.00 74.11 H new ATOM 0 HA THR A 98 11.708 -15.852 -1.352 1.00 21.42 H new ATOM 0 HB THR A 98 10.009 -15.336 0.422 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.279 -13.383 -0.645 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.134 -13.156 1.575 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.485 -14.220 2.032 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.751 -12.889 0.882 1.00 33.24 H new ATOM 1566 N PRO A 99 13.074 -13.875 -2.113 1.00 61.42 N ATOM 1567 CA PRO A 99 14.023 -12.877 -2.613 1.00 22.35 C ATOM 1568 C PRO A 99 13.683 -11.466 -2.143 1.00 21.13 C ATOM 1569 O PRO A 99 12.539 -11.175 -1.796 1.00 4.33 O ATOM 1570 CB PRO A 99 13.880 -12.983 -4.134 1.00 33.45 C ATOM 1571 CG PRO A 99 12.504 -13.512 -4.349 1.00 23.31 C ATOM 1572 CD PRO A 99 12.224 -14.422 -3.184 1.00 75.43 C ATOM 0 HA PRO A 99 15.035 -13.060 -2.252 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.010 -12.012 -4.612 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.631 -13.650 -4.557 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.777 -12.701 -4.395 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.437 -14.054 -5.292 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.170 -14.408 -2.907 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.480 -15.457 -3.412 1.00 75.43 H new ATOM 1580 N LYS A 100 14.685 -10.593 -2.135 1.00 1.34 N ATOM 1581 CA LYS A 100 14.493 -9.212 -1.710 1.00 31.23 C ATOM 1582 C LYS A 100 13.778 -8.405 -2.787 1.00 11.53 C ATOM 1583 O LYS A 100 13.430 -7.243 -2.578 1.00 43.02 O ATOM 1584 CB LYS A 100 15.841 -8.566 -1.383 1.00 14.02 C ATOM 1585 CG LYS A 100 15.724 -7.311 -0.536 1.00 13.24 C ATOM 1586 CD LYS A 100 15.339 -7.638 0.897 1.00 51.30 C ATOM 1587 CE LYS A 100 16.506 -8.243 1.663 1.00 60.13 C ATOM 1588 NZ LYS A 100 16.353 -8.072 3.134 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.639 -10.818 -2.418 1.00 1.34 H new ATOM 0 HA LYS A 100 13.872 -9.217 -0.814 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.464 -9.291 -0.859 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.352 -8.320 -2.314 1.00 14.02 H new ATOM 0 HG2 LYS A 100 16.673 -6.775 -0.545 1.00 13.24 H new ATOM 0 HG3 LYS A 100 14.978 -6.646 -0.971 1.00 13.24 H new ATOM 0 HD2 LYS A 100 15.003 -6.732 1.400 1.00 51.30 H new ATOM 0 HD3 LYS A 100 14.500 -8.334 0.900 1.00 51.30 H new ATOM 0 HE2 LYS A 100 16.584 -9.304 1.427 1.00 60.13 H new ATOM 0 HE3 LYS A 100 17.435 -7.775 1.338 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 17.168 -8.498 3.620 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 16.304 -7.059 3.362 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 15.479 -8.540 3.449 1.00 62.04 H new ATOM 1602 N ASP A 101 13.560 -9.028 -3.940 1.00 23.32 N ATOM 1603 CA ASP A 101 12.884 -8.368 -5.051 1.00 41.13 C ATOM 1604 C ASP A 101 11.491 -8.952 -5.264 1.00 43.12 C ATOM 1605 O ASP A 101 10.805 -8.613 -6.228 1.00 15.43 O ATOM 1606 CB ASP A 101 13.709 -8.505 -6.332 1.00 64.01 C ATOM 1607 CG ASP A 101 14.824 -7.482 -6.415 1.00 62.02 C ATOM 1608 OD1 ASP A 101 15.854 -7.672 -5.734 1.00 12.30 O ATOM 1609 OD2 ASP A 101 14.668 -6.493 -7.160 1.00 24.30 O1- ATOM 0 H ASP A 101 13.842 -9.990 -4.130 1.00 23.32 H new ATOM 0 HA ASP A 101 12.782 -7.311 -4.805 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.135 -9.507 -6.381 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.054 -8.395 -7.196 1.00 64.01 H new ATOM 1614 N PHE A 102 11.080 -9.833 -4.357 1.00 61.52 N ATOM 1615 CA PHE A 102 9.770 -10.466 -4.446 1.00 41.25 C ATOM 1616 C PHE A 102 8.655 -9.437 -4.277 1.00 61.03 C ATOM 1617 O PHE A 102 7.514 -9.671 -4.671 1.00 73.03 O ATOM 1618 CB PHE A 102 9.635 -11.559 -3.383 1.00 42.23 C ATOM 1619 CG PHE A 102 8.970 -12.808 -3.889 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.412 -13.422 -5.050 1.00 34.02 C ATOM 1621 CD2 PHE A 102 7.902 -13.366 -3.205 1.00 61.34 C ATOM 1622 CE1 PHE A 102 8.803 -14.571 -5.517 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.290 -14.515 -3.667 1.00 54.01 C ATOM 1624 CZ PHE A 102 7.740 -15.118 -4.825 1.00 15.23 C ATOM 0 H PHE A 102 11.635 -10.124 -3.553 1.00 61.52 H new ATOM 0 HA PHE A 102 9.679 -10.916 -5.435 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.626 -11.812 -3.005 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.063 -11.168 -2.541 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.242 -12.998 -5.596 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.544 -12.897 -2.300 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.158 -15.041 -6.422 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.460 -14.941 -3.123 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.262 -16.015 -5.189 1.00 15.23 H new ATOM 1634 N GLY A 103 8.997 -8.296 -3.686 1.00 33.20 N ATOM 1635 CA GLY A 103 8.016 -7.247 -3.475 1.00 14.33 C ATOM 1636 C GLY A 103 7.250 -6.905 -4.738 1.00 14.11 C ATOM 1637 O GLY A 103 6.020 -6.888 -4.741 1.00 52.21 O ATOM 0 H GLY A 103 9.935 -8.079 -3.350 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.314 -7.561 -2.702 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.519 -6.353 -3.106 1.00 14.33 H new ATOM 1641 N ARG A 104 7.981 -6.631 -5.814 1.00 11.41 N ATOM 1642 CA ARG A 104 7.363 -6.284 -7.088 1.00 21.11 C ATOM 1643 C ARG A 104 6.861 -7.533 -7.806 1.00 54.21 C ATOM 1644 O ARG A 104 5.791 -7.523 -8.414 1.00 35.02 O ATOM 1645 CB ARG A 104 8.360 -5.538 -7.976 1.00 50.22 C ATOM 1646 CG ARG A 104 7.734 -4.935 -9.223 1.00 72.45 C ATOM 1647 CD ARG A 104 8.731 -4.087 -9.995 1.00 22.14 C ATOM 1648 NE ARG A 104 8.166 -3.573 -11.239 1.00 50.51 N ATOM 1649 CZ ARG A 104 8.801 -2.721 -12.038 1.00 32.33 C ATOM 1650 NH1 ARG A 104 10.015 -2.291 -11.723 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 8.221 -2.299 -13.153 1.00 63.54 N ATOM 0 H ARG A 104 9.001 -6.643 -5.829 1.00 11.41 H new ATOM 0 HA ARG A 104 6.511 -5.635 -6.886 1.00 21.11 H new ATOM 0 HB2 ARG A 104 8.828 -4.744 -7.394 1.00 50.22 H new ATOM 0 HB3 ARG A 104 9.153 -6.224 -8.274 1.00 50.22 H new ATOM 0 HG2 ARG A 104 7.360 -5.732 -9.865 1.00 72.45 H new ATOM 0 HG3 ARG A 104 6.877 -4.324 -8.941 1.00 72.45 H new ATOM 0 HD2 ARG A 104 9.056 -3.253 -9.373 1.00 22.14 H new ATOM 0 HD3 ARG A 104 9.617 -4.682 -10.218 1.00 22.14 H new ATOM 0 HE ARG A 104 7.233 -3.884 -11.510 1.00 50.51 H new ATOM 0 HH11 ARG A 104 10.464 -2.614 -10.866 1.00 65.42 H new ATOM 0 HH12 ARG A 104 10.500 -1.637 -12.338 1.00 65.42 H new ATOM 0 HH21 ARG A 104 7.287 -2.628 -13.398 1.00 63.54 H new ATOM 0 HH22 ARG A 104 8.709 -1.645 -13.766 1.00 63.54 H new ATOM 1665 N ILE A 105 7.642 -8.605 -7.732 1.00 74.15 N ATOM 1666 CA ILE A 105 7.277 -9.862 -8.374 1.00 51.42 C ATOM 1667 C ILE A 105 5.902 -10.335 -7.913 1.00 31.22 C ATOM 1668 O ILE A 105 5.087 -10.786 -8.719 1.00 32.23 O ATOM 1669 CB ILE A 105 8.312 -10.966 -8.084 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.698 -10.533 -8.565 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.896 -12.270 -8.747 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.815 -11.424 -8.068 1.00 51.01 C ATOM 0 H ILE A 105 8.532 -8.629 -7.234 1.00 74.15 H new ATOM 0 HA ILE A 105 7.253 -9.672 -9.447 1.00 51.42 H new ATOM 0 HB ILE A 105 8.357 -11.129 -7.007 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.709 -10.524 -9.655 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.885 -9.511 -8.236 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.637 -13.040 -8.533 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.926 -12.582 -8.359 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.826 -12.124 -9.825 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.769 -11.058 -8.448 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.831 -11.414 -6.978 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.652 -12.443 -8.420 1.00 51.01 H new ATOM 1684 N ALA A 106 5.651 -10.230 -6.613 1.00 52.13 N ATOM 1685 CA ALA A 106 4.375 -10.644 -6.044 1.00 0.32 C ATOM 1686 C ALA A 106 3.210 -9.975 -6.767 1.00 11.13 C ATOM 1687 O ALA A 106 2.220 -10.625 -7.103 1.00 42.22 O ATOM 1688 CB ALA A 106 4.329 -10.323 -4.558 1.00 60.32 C ATOM 0 H ALA A 106 6.316 -9.861 -5.933 1.00 52.13 H new ATOM 0 HA ALA A 106 4.281 -11.722 -6.174 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.370 -10.638 -4.147 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.134 -10.851 -4.047 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.450 -9.249 -4.414 1.00 60.32 H new ATOM 1694 N ALA A 107 3.335 -8.673 -7.002 1.00 54.24 N ATOM 1695 CA ALA A 107 2.293 -7.917 -7.686 1.00 40.42 C ATOM 1696 C ALA A 107 2.196 -8.320 -9.155 1.00 61.51 C ATOM 1697 O ALA A 107 1.113 -8.627 -9.653 1.00 62.23 O ATOM 1698 CB ALA A 107 2.557 -6.424 -7.563 1.00 41.43 C ATOM 0 H ALA A 107 4.147 -8.120 -6.729 1.00 54.24 H new ATOM 0 HA ALA A 107 1.340 -8.147 -7.210 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.771 -5.872 -8.078 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.568 -6.142 -6.510 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.521 -6.187 -8.012 1.00 41.43 H new ATOM 1704 N GLN A 108 3.334 -8.317 -9.841 1.00 63.24 N ATOM 1705 CA GLN A 108 3.376 -8.680 -11.251 1.00 24.31 C ATOM 1706 C GLN A 108 2.739 -10.047 -11.480 1.00 33.31 C ATOM 1707 O GLN A 108 2.167 -10.309 -12.539 1.00 5.33 O ATOM 1708 CB GLN A 108 4.820 -8.687 -11.756 1.00 74.24 C ATOM 1709 CG GLN A 108 4.952 -9.082 -13.218 1.00 10.13 C ATOM 1710 CD GLN A 108 6.302 -8.712 -13.802 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.281 -8.545 -13.074 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.361 -8.584 -15.123 1.00 30.20 N ATOM 0 H GLN A 108 4.239 -8.067 -9.443 1.00 63.24 H new ATOM 0 HA GLN A 108 2.808 -7.936 -11.808 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.250 -7.695 -11.616 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.405 -9.377 -11.148 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.800 -10.157 -13.315 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.165 -8.596 -13.795 1.00 10.13 H new ATOM 0 HE21 GLN A 108 5.524 -8.732 -15.688 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.243 -8.338 -15.573 1.00 30.20 H new ATOM 1721 N THR A 109 2.843 -10.918 -10.481 1.00 14.35 N ATOM 1722 CA THR A 109 2.278 -12.259 -10.573 1.00 1.22 C ATOM 1723 C THR A 109 0.806 -12.264 -10.180 1.00 5.53 C ATOM 1724 O THR A 109 0.033 -13.101 -10.644 1.00 22.25 O ATOM 1725 CB THR A 109 3.041 -13.252 -9.677 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.453 -13.051 -9.813 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.692 -14.688 -10.042 1.00 43.12 C ATOM 0 H THR A 109 3.314 -10.719 -9.598 1.00 14.35 H new ATOM 0 HA THR A 109 2.374 -12.572 -11.613 1.00 1.22 H new ATOM 0 HB THR A 109 2.747 -13.074 -8.643 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.712 -12.228 -9.349 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.243 -15.372 -9.396 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.622 -14.847 -9.910 1.00 43.12 H new ATOM 0 HG23 THR A 109 2.961 -14.875 -11.082 1.00 43.12 H new ATOM 1735 N ALA A 110 0.424 -11.323 -9.321 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.957 -11.219 -8.868 1.00 65.20 C ATOM 1737 C ALA A 110 -1.847 -10.618 -9.950 1.00 34.15 C ATOM 1738 O ALA A 110 -3.008 -10.999 -10.096 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.033 -10.384 -7.597 1.00 42.13 C ATOM 0 H ALA A 110 1.052 -10.623 -8.926 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.319 -12.224 -8.653 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.070 -10.314 -7.269 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.436 -10.855 -6.816 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.647 -9.384 -7.795 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.294 -9.678 -10.709 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.038 -9.025 -11.781 1.00 13.33 C ATOM 1747 C LYS A 111 -2.354 -10.009 -12.903 1.00 33.32 C ATOM 1748 O LYS A 111 -3.419 -9.945 -13.514 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.239 -7.843 -12.336 1.00 20.42 C ATOM 1750 CG LYS A 111 0.193 -8.193 -12.701 1.00 74.20 C ATOM 1751 CD LYS A 111 0.706 -7.328 -13.839 1.00 34.11 C ATOM 1752 CE LYS A 111 0.690 -5.853 -13.469 1.00 74.34 C ATOM 1753 NZ LYS A 111 -0.600 -5.203 -13.833 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.334 -9.351 -10.602 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.978 -8.660 -11.367 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.746 -7.456 -13.220 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.231 -7.042 -11.597 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.833 -8.065 -11.828 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.250 -9.243 -12.987 1.00 74.20 H new ATOM 0 HD2 LYS A 111 1.722 -7.629 -14.097 1.00 34.11 H new ATOM 0 HD3 LYS A 111 0.092 -7.489 -14.725 1.00 34.11 H new ATOM 0 HE2 LYS A 111 0.861 -5.746 -12.398 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.509 -5.343 -13.975 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 -0.426 -4.214 -14.102 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 -1.030 -5.709 -14.633 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 -1.245 -5.232 -13.018 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.421 -10.919 -13.165 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.602 -11.918 -14.212 1.00 10.21 C ATOM 1769 C GLN A 112 -2.558 -13.015 -13.759 1.00 0.31 C ATOM 1770 O GLN A 112 -3.297 -13.583 -14.565 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.255 -12.528 -14.604 1.00 41.41 C ATOM 1772 CG GLN A 112 0.450 -13.232 -13.456 1.00 33.01 C ATOM 1773 CD GLN A 112 1.683 -13.989 -13.905 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.671 -13.392 -14.333 1.00 53.14 O ATOM 1775 NE2 GLN A 112 1.633 -15.313 -13.811 1.00 73.33 N ATOM 0 H GLN A 112 -0.533 -10.985 -12.667 1.00 52.54 H new ATOM 0 HA GLN A 112 -2.034 -11.422 -15.081 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.410 -13.239 -15.415 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.393 -11.741 -14.989 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.734 -12.496 -12.703 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.243 -13.925 -12.979 1.00 33.01 H new ATOM 0 HE21 GLN A 112 0.794 -15.767 -13.450 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.434 -15.875 -14.099 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.541 -13.311 -12.463 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.407 -14.341 -11.901 1.00 53.54 C ATOM 1786 C VAL A 113 -4.855 -13.870 -11.845 1.00 33.44 C ATOM 1787 O VAL A 113 -5.752 -14.517 -12.388 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.954 -14.744 -10.485 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -4.039 -15.549 -9.787 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.652 -15.528 -10.546 1.00 71.43 C ATOM 0 H VAL A 113 -1.936 -12.852 -11.782 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.335 -15.208 -12.557 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.779 -13.837 -9.906 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.701 -15.825 -8.788 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.945 -14.948 -9.711 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.249 -16.451 -10.361 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.346 -15.805 -9.537 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.798 -16.429 -11.141 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.878 -14.912 -11.004 1.00 71.43 H new ATOM 1800 N VAL A 114 -5.079 -12.738 -11.186 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.419 -12.178 -11.059 1.00 44.31 C ATOM 1802 C VAL A 114 -7.057 -11.966 -12.427 1.00 24.40 C ATOM 1803 O VAL A 114 -8.259 -12.174 -12.604 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.399 -10.837 -10.302 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.944 -11.042 -8.865 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.503 -9.836 -11.016 1.00 62.43 C ATOM 0 H VAL A 114 -4.349 -12.190 -10.731 1.00 62.31 H new ATOM 0 HA VAL A 114 -7.010 -12.898 -10.492 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.412 -10.435 -10.283 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.936 -10.084 -8.346 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.629 -11.723 -8.360 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.940 -11.467 -8.858 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.500 -8.894 -10.468 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.487 -10.229 -11.067 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.878 -9.667 -12.025 1.00 62.43 H new ATOM 1816 N THR A 115 -6.246 -11.553 -13.395 1.00 11.13 N ATOM 1817 CA THR A 115 -6.730 -11.313 -14.749 1.00 33.11 C ATOM 1818 C THR A 115 -7.064 -12.622 -15.454 1.00 25.41 C ATOM 1819 O THR A 115 -7.938 -12.666 -16.320 1.00 0.53 O ATOM 1820 CB THR A 115 -5.695 -10.540 -15.588 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.441 -9.262 -14.997 1.00 20.24 O ATOM 1822 CG2 THR A 115 -6.183 -10.356 -17.016 1.00 72.31 C ATOM 0 H THR A 115 -5.249 -11.377 -13.267 1.00 11.13 H new ATOM 0 HA THR A 115 -7.635 -10.712 -14.658 1.00 33.11 H new ATOM 0 HB THR A 115 -4.772 -11.120 -15.609 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.829 -9.368 -14.239 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.435 -9.807 -17.588 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.346 -11.332 -17.473 1.00 72.31 H new ATOM 0 HG23 THR A 115 -7.118 -9.796 -17.012 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.364 -13.687 -15.077 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.588 -14.999 -15.675 1.00 54.01 C ATOM 1832 C GLN A 116 -7.911 -15.593 -15.204 1.00 61.15 C ATOM 1833 O GLN A 116 -8.716 -16.058 -16.011 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.437 -15.944 -15.325 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.220 -15.777 -16.220 1.00 43.44 C ATOM 1836 CD GLN A 116 -4.293 -16.632 -17.471 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -5.096 -16.372 -18.368 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -3.454 -17.659 -17.536 1.00 23.42 N ATOM 0 H GLN A 116 -5.638 -13.668 -14.361 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.632 -14.876 -16.757 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -5.142 -15.776 -14.289 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.789 -16.973 -15.393 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.125 -14.729 -16.506 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.323 -16.037 -15.659 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.805 -17.837 -16.769 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -3.458 -18.270 -18.353 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.129 -15.574 -13.893 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.355 -16.113 -13.315 1.00 0.51 C ATOM 1849 C ARG A 117 -10.584 -15.465 -13.945 1.00 2.44 C ATOM 1850 O ARG A 117 -11.650 -16.077 -14.022 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.369 -15.892 -11.800 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.154 -16.463 -11.090 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.225 -17.979 -10.994 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.378 -18.425 -10.216 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.493 -19.646 -9.706 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.530 -20.538 -9.891 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.573 -19.976 -9.010 1.00 63.20 N ATOM 0 H ARG A 117 -7.474 -15.192 -13.211 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.384 -17.183 -13.520 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.428 -14.823 -11.598 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.269 -16.345 -11.384 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.249 -16.173 -11.625 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.083 -16.037 -10.089 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.278 -18.404 -11.997 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.311 -18.356 -10.536 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.137 -17.762 -10.056 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.699 -20.287 -10.426 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -8.621 -21.475 -9.498 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.316 -19.292 -8.866 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.661 -20.914 -8.619 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.428 -14.224 -14.396 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.524 -13.495 -15.021 1.00 4.21 C ATOM 1873 C VAL A 118 -11.990 -14.188 -16.297 1.00 14.31 C ATOM 1874 O VAL A 118 -13.176 -14.473 -16.463 1.00 21.50 O ATOM 1875 CB VAL A 118 -11.117 -12.047 -15.355 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.294 -11.282 -15.938 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.575 -11.347 -14.118 1.00 2.43 C ATOM 0 H VAL A 118 -9.553 -13.703 -14.340 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.343 -13.478 -14.302 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.326 -12.074 -16.104 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.987 -10.262 -16.167 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.631 -11.773 -16.851 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -13.109 -11.262 -15.215 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.292 -10.325 -14.372 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.343 -11.329 -13.344 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.701 -11.884 -13.750 1.00 2.43 H new