USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 894 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 101 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Set 1.2: A 105 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 75 HIS : no HE2:sc= -4.34! C(o=-5.5!,f=-7!) USER MOD Set 2.2: A 79 GLN : amide:sc= -1.2 K(o=-5.5,f=-8.8) USER MOD Single : A 12 GLN : amide:sc= -0.861 K(o=-0.86,f=-0.23) USER MOD Single : A 14 HIS : no HE2:sc= -0.896 K(o=-0.9,f=-9!) USER MOD Single : A 17 TYR OH : rot -44:sc= 1.12 USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= 0.985 (180deg=0.859) USER MOD Single : A 25 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.4!) USER MOD Single : A 26 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.23) USER MOD Single : A 28 MET CE :methyl 149:sc= -2.66! (180deg=-3.39!) USER MOD Single : A 30 SER OG : rot 106:sc= 1.25 USER MOD Single : A 32 MET CE :methyl -174:sc= -0.425 (180deg=-0.445) USER MOD Single : A 36 GLN : amide:sc= 0.0973 K(o=0.097,f=-0.58) USER MOD Single : A 38 MET CE :methyl 156:sc= 0 (180deg=-0.836) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0957 USER MOD Single : A 52 SER OG : rot -129:sc= 0.112 USER MOD Single : A 54 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.7) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= 1.05 (180deg=0.238!) USER MOD Single : A 59 SER OG : rot 175:sc= -0.209 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 40:sc= 0.359 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -170:sc= -0.276 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.21) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.047) USER MOD Single : A 112 GLN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.017) USER MOD Single : A 126 SER OG : rot 167:sc= 0.134 USER MOD Single : A 127 LYS NZ :NH3+ -151:sc= 1.25 (180deg=0.709) USER MOD Single : A 128 GLN : amide:sc= -0.955 K(o=-0.95,f=-2.5!) USER MOD Single : A 129 GLN : amide:sc= 0.539 K(o=0.54,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 8 -17.955 -5.768 2.716 1.00 0.00 N ATOM 109 CA GLU A 8 -17.782 -6.713 1.620 1.00 0.00 C ATOM 110 C GLU A 8 -17.173 -6.029 0.404 1.00 0.00 C ATOM 111 O GLU A 8 -16.289 -6.578 -0.254 1.00 0.00 O ATOM 112 CB GLU A 8 -19.123 -7.341 1.245 1.00 0.00 C ATOM 113 CG GLU A 8 -19.044 -8.831 0.952 1.00 0.00 C ATOM 114 CD GLU A 8 -18.425 -9.618 2.092 1.00 0.00 C ATOM 115 OE1 GLU A 8 -18.875 -9.456 3.246 1.00 0.00 O ATOM 116 OE2 GLU A 8 -17.492 -10.410 1.835 1.00 0.00 O ATOM 0 HA GLU A 8 -17.101 -7.496 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.830 -7.177 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.521 -6.829 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -20.046 -9.212 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.458 -8.989 0.046 1.00 0.00 H new ATOM 123 N ALA A 9 -17.626 -4.815 0.123 1.00 0.00 N ATOM 124 CA ALA A 9 -17.171 -4.094 -1.051 1.00 0.00 C ATOM 125 C ALA A 9 -15.740 -3.620 -0.868 1.00 0.00 C ATOM 126 O ALA A 9 -14.946 -3.628 -1.810 1.00 0.00 O ATOM 127 CB ALA A 9 -18.089 -2.919 -1.346 1.00 0.00 C ATOM 0 H ALA A 9 -18.307 -4.312 0.692 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.200 -4.775 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.731 -2.391 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.100 -3.284 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.095 -2.239 -0.494 1.00 0.00 H new ATOM 133 N ILE A 10 -15.404 -3.243 0.356 1.00 0.00 N ATOM 134 CA ILE A 10 -14.081 -2.721 0.644 1.00 0.00 C ATOM 135 C ILE A 10 -13.081 -3.846 0.870 1.00 0.00 C ATOM 136 O ILE A 10 -11.873 -3.626 0.851 1.00 0.00 O ATOM 137 CB ILE A 10 -14.080 -1.776 1.855 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.362 -2.545 3.140 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.091 -0.658 1.656 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.186 -2.569 4.087 1.00 0.00 C ATOM 0 H ILE A 10 -16.028 -3.289 1.162 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.780 -2.147 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.090 -1.329 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.218 -2.096 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.640 -3.569 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.078 0.003 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.834 -0.089 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.087 -1.085 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.451 -3.132 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.335 -3.044 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.922 -1.549 4.365 1.00 0.00 H new ATOM 152 N ASP A 11 -13.584 -5.057 1.081 1.00 0.00 N ATOM 153 CA ASP A 11 -12.717 -6.221 1.193 1.00 0.00 C ATOM 154 C ASP A 11 -12.304 -6.665 -0.194 1.00 0.00 C ATOM 155 O ASP A 11 -11.234 -7.233 -0.387 1.00 0.00 O ATOM 156 CB ASP A 11 -13.404 -7.363 1.937 1.00 0.00 C ATOM 157 CG ASP A 11 -12.436 -8.131 2.817 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.453 -7.531 3.293 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.651 -9.340 3.033 1.00 0.00 O ATOM 0 H ASP A 11 -14.580 -5.256 1.177 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.835 -5.945 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.212 -6.963 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.858 -8.044 1.217 1.00 0.00 H new ATOM 164 N GLN A 12 -13.151 -6.368 -1.165 1.00 0.00 N ATOM 165 CA GLN A 12 -12.839 -6.632 -2.553 1.00 0.00 C ATOM 166 C GLN A 12 -11.768 -5.666 -3.053 1.00 0.00 C ATOM 167 O GLN A 12 -10.912 -6.037 -3.856 1.00 0.00 O ATOM 168 CB GLN A 12 -14.101 -6.536 -3.401 1.00 0.00 C ATOM 169 CG GLN A 12 -14.857 -7.849 -3.482 1.00 0.00 C ATOM 170 CD GLN A 12 -14.124 -8.880 -4.317 1.00 0.00 C ATOM 171 OE1 GLN A 12 -14.327 -8.969 -5.530 1.00 0.00 O ATOM 172 NE2 GLN A 12 -13.265 -9.664 -3.682 1.00 0.00 N ATOM 0 H GLN A 12 -14.065 -5.941 -1.013 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.444 -7.644 -2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.756 -5.770 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.833 -6.214 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.011 -8.241 -2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.844 -7.672 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.125 -9.559 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.744 -10.373 -4.198 1.00 0.00 H new ATOM 181 N LEU A 13 -11.800 -4.427 -2.564 1.00 0.00 N ATOM 182 CA LEU A 13 -10.759 -3.469 -2.909 1.00 0.00 C ATOM 183 C LEU A 13 -9.597 -3.585 -1.930 1.00 0.00 C ATOM 184 O LEU A 13 -8.542 -2.991 -2.131 1.00 0.00 O ATOM 185 CB LEU A 13 -11.291 -2.029 -2.962 1.00 0.00 C ATOM 186 CG LEU A 13 -12.070 -1.548 -1.738 1.00 0.00 C ATOM 187 CD1 LEU A 13 -11.192 -0.674 -0.856 1.00 0.00 C ATOM 188 CD2 LEU A 13 -13.311 -0.779 -2.168 1.00 0.00 C ATOM 0 H LEU A 13 -12.523 -4.070 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.405 -3.710 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.446 -1.358 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.935 -1.935 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.380 -2.421 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.764 -0.341 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.327 -1.247 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.855 0.193 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.855 -0.443 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.016 0.085 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.953 -1.428 -2.764 1.00 0.00 H new ATOM 200 N HIS A 14 -9.791 -4.364 -0.868 1.00 0.00 N ATOM 201 CA HIS A 14 -8.695 -4.712 0.031 1.00 0.00 C ATOM 202 C HIS A 14 -7.640 -5.475 -0.756 1.00 0.00 C ATOM 203 O HIS A 14 -6.450 -5.425 -0.447 1.00 0.00 O ATOM 204 CB HIS A 14 -9.186 -5.579 1.194 1.00 0.00 C ATOM 205 CG HIS A 14 -9.401 -4.834 2.478 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.114 -5.354 3.535 1.00 0.00 N ATOM 207 CD2 HIS A 14 -8.985 -3.611 2.879 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.128 -4.487 4.529 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.449 -3.418 4.159 1.00 0.00 N ATOM 0 H HIS A 14 -10.693 -4.764 -0.610 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.277 -3.794 0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.122 -6.056 0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.462 -6.375 1.368 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.563 -6.270 3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.397 -2.914 2.300 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.613 -4.628 5.484 1.00 0.00 H new ATOM 218 N LEU A 15 -8.107 -6.190 -1.778 1.00 0.00 N ATOM 219 CA LEU A 15 -7.230 -6.894 -2.693 1.00 0.00 C ATOM 220 C LEU A 15 -6.361 -5.913 -3.462 1.00 0.00 C ATOM 221 O LEU A 15 -5.196 -6.184 -3.714 1.00 0.00 O ATOM 222 CB LEU A 15 -8.049 -7.736 -3.674 1.00 0.00 C ATOM 223 CG LEU A 15 -8.388 -9.153 -3.217 1.00 0.00 C ATOM 224 CD1 LEU A 15 -7.250 -9.756 -2.412 1.00 0.00 C ATOM 225 CD2 LEU A 15 -9.683 -9.161 -2.430 1.00 0.00 C ATOM 0 H LEU A 15 -9.100 -6.293 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.587 -7.552 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.981 -7.210 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.500 -7.800 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.526 -9.774 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.520 -10.765 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.350 -9.794 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.062 -9.142 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.909 -10.179 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.580 -8.522 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.493 -8.788 -3.058 1.00 0.00 H new ATOM 237 N GLU A 16 -6.928 -4.764 -3.818 1.00 0.00 N ATOM 238 CA GLU A 16 -6.193 -3.740 -4.552 1.00 0.00 C ATOM 239 C GLU A 16 -5.037 -3.223 -3.718 1.00 0.00 C ATOM 240 O GLU A 16 -3.971 -2.895 -4.245 1.00 0.00 O ATOM 241 CB GLU A 16 -7.114 -2.580 -4.926 1.00 0.00 C ATOM 242 CG GLU A 16 -7.991 -2.856 -6.137 1.00 0.00 C ATOM 243 CD GLU A 16 -7.227 -2.787 -7.445 1.00 0.00 C ATOM 244 OE1 GLU A 16 -6.074 -3.268 -7.499 1.00 0.00 O ATOM 245 OE2 GLU A 16 -7.784 -2.271 -8.434 1.00 0.00 O ATOM 0 H GLU A 16 -7.896 -4.519 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.804 -4.190 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.752 -2.346 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.507 -1.696 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.441 -3.844 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.808 -2.134 -6.160 1.00 0.00 H new ATOM 252 N TYR A 17 -5.250 -3.162 -2.411 1.00 0.00 N ATOM 253 CA TYR A 17 -4.196 -2.778 -1.494 1.00 0.00 C ATOM 254 C TYR A 17 -3.111 -3.842 -1.527 1.00 0.00 C ATOM 255 O TYR A 17 -1.937 -3.539 -1.705 1.00 0.00 O ATOM 256 CB TYR A 17 -4.747 -2.612 -0.070 1.00 0.00 C ATOM 257 CG TYR A 17 -3.862 -1.798 0.861 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.569 -2.206 1.162 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.330 -0.627 1.448 1.00 0.00 C ATOM 260 CE1 TYR A 17 -1.767 -1.475 2.017 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.535 0.108 2.308 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.256 -0.317 2.587 1.00 0.00 C ATOM 263 OH TYR A 17 -1.464 0.411 3.449 1.00 0.00 O ATOM 0 H TYR A 17 -6.143 -3.374 -1.966 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.779 -1.818 -1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.726 -2.137 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.897 -3.600 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.183 -3.112 0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.331 -0.286 1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.764 -1.808 2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.916 1.012 2.759 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.012 -0.197 4.071 1.00 0.00 H new ATOM 273 N ALA A 18 -3.527 -5.097 -1.415 1.00 0.00 N ATOM 274 CA ALA A 18 -2.594 -6.213 -1.402 1.00 0.00 C ATOM 275 C ALA A 18 -1.940 -6.414 -2.766 1.00 0.00 C ATOM 276 O ALA A 18 -0.872 -7.009 -2.861 1.00 0.00 O ATOM 277 CB ALA A 18 -3.295 -7.488 -0.946 1.00 0.00 C ATOM 0 H ALA A 18 -4.507 -5.367 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.802 -5.977 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.583 -8.313 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.691 -7.346 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.113 -7.718 -1.629 1.00 0.00 H new ATOM 283 N LYS A 19 -2.579 -5.921 -3.820 1.00 0.00 N ATOM 284 CA LYS A 19 -2.022 -6.021 -5.157 1.00 0.00 C ATOM 285 C LYS A 19 -0.904 -5.009 -5.361 1.00 0.00 C ATOM 286 O LYS A 19 0.092 -5.302 -6.013 1.00 0.00 O ATOM 287 CB LYS A 19 -3.113 -5.793 -6.196 1.00 0.00 C ATOM 288 CG LYS A 19 -3.630 -7.074 -6.820 1.00 0.00 C ATOM 289 CD LYS A 19 -5.139 -7.177 -6.694 1.00 0.00 C ATOM 290 CE LYS A 19 -5.827 -6.954 -8.030 1.00 0.00 C ATOM 291 NZ LYS A 19 -6.787 -5.819 -7.982 1.00 0.00 N ATOM 0 H LYS A 19 -3.482 -5.449 -3.772 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.608 -7.022 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.944 -5.264 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.725 -5.146 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.347 -7.109 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.163 -7.932 -6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.406 -8.160 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.496 -6.442 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.076 -6.761 -8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.354 -7.862 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.422 -5.866 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.348 -5.875 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.264 -4.921 -8.000 1.00 0.00 H new ATOM 305 N ARG A 20 -1.083 -3.819 -4.804 1.00 0.00 N ATOM 306 CA ARG A 20 -0.117 -2.741 -4.971 1.00 0.00 C ATOM 307 C ARG A 20 0.943 -2.766 -3.882 1.00 0.00 C ATOM 308 O ARG A 20 2.110 -2.464 -4.131 1.00 0.00 O ATOM 309 CB ARG A 20 -0.832 -1.396 -4.960 1.00 0.00 C ATOM 310 CG ARG A 20 -1.123 -0.845 -6.341 1.00 0.00 C ATOM 311 CD ARG A 20 -2.085 0.330 -6.276 1.00 0.00 C ATOM 312 NE ARG A 20 -2.772 0.544 -7.548 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.737 -0.246 -8.026 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.161 -1.294 -7.320 1.00 0.00 N ATOM 315 NH2 ARG A 20 -4.284 0.019 -9.206 1.00 0.00 N ATOM 0 H ARG A 20 -1.891 -3.575 -4.231 1.00 0.00 H new ATOM 0 HA ARG A 20 0.381 -2.886 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.770 -1.499 -4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.223 -0.676 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.192 -0.530 -6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.547 -1.631 -6.966 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.821 0.154 -5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.538 1.232 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.496 1.351 -8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.748 -1.496 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.898 -1.894 -7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.967 0.824 -9.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.021 -0.583 -9.573 1.00 0.00 H new ATOM 329 N ALA A 21 0.539 -3.125 -2.674 1.00 0.00 N ATOM 330 CA ALA A 21 1.466 -3.208 -1.554 1.00 0.00 C ATOM 331 C ALA A 21 2.442 -4.362 -1.740 1.00 0.00 C ATOM 332 O ALA A 21 3.497 -4.399 -1.112 1.00 0.00 O ATOM 333 CB ALA A 21 0.708 -3.367 -0.249 1.00 0.00 C ATOM 0 H ALA A 21 -0.425 -3.364 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 21 2.036 -2.280 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.416 -3.428 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.052 -2.509 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.112 -4.279 -0.283 1.00 0.00 H new ATOM 339 N ALA A 22 2.094 -5.291 -2.626 1.00 0.00 N ATOM 340 CA ALA A 22 2.914 -6.478 -2.849 1.00 0.00 C ATOM 341 C ALA A 22 4.242 -6.120 -3.529 1.00 0.00 C ATOM 342 O ALA A 22 5.309 -6.415 -2.990 1.00 0.00 O ATOM 343 CB ALA A 22 2.146 -7.521 -3.651 1.00 0.00 C ATOM 0 H ALA A 22 1.252 -5.245 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 22 3.152 -6.909 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.776 -8.397 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.248 -7.811 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.864 -7.102 -4.617 1.00 0.00 H new ATOM 349 N PRO A 23 4.216 -5.466 -4.713 1.00 0.00 N ATOM 350 CA PRO A 23 5.438 -5.025 -5.379 1.00 0.00 C ATOM 351 C PRO A 23 6.145 -3.941 -4.583 1.00 0.00 C ATOM 352 O PRO A 23 7.366 -3.811 -4.635 1.00 0.00 O ATOM 353 CB PRO A 23 4.961 -4.471 -6.730 1.00 0.00 C ATOM 354 CG PRO A 23 3.558 -4.948 -6.884 1.00 0.00 C ATOM 355 CD PRO A 23 3.022 -5.117 -5.498 1.00 0.00 C ATOM 0 HA PRO A 23 6.156 -5.838 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.009 -3.382 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.589 -4.830 -7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.962 -4.230 -7.447 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.525 -5.890 -7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.554 -4.202 -5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.267 -5.902 -5.452 1.00 0.00 H new ATOM 363 N PHE A 24 5.368 -3.169 -3.835 1.00 0.00 N ATOM 364 CA PHE A 24 5.926 -2.133 -2.985 1.00 0.00 C ATOM 365 C PHE A 24 6.741 -2.754 -1.860 1.00 0.00 C ATOM 366 O PHE A 24 7.831 -2.283 -1.538 1.00 0.00 O ATOM 367 CB PHE A 24 4.811 -1.256 -2.412 1.00 0.00 C ATOM 368 CG PHE A 24 5.203 0.179 -2.178 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.443 0.663 -2.576 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.320 1.048 -1.558 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.790 1.981 -2.357 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.666 2.366 -1.336 1.00 0.00 C ATOM 373 CZ PHE A 24 5.900 2.834 -1.736 1.00 0.00 C ATOM 0 H PHE A 24 4.351 -3.243 -3.801 1.00 0.00 H new ATOM 0 HA PHE A 24 6.585 -1.507 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.960 -1.281 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.476 -1.686 -1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.144 0.000 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.350 0.690 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.757 2.345 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.969 3.032 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.169 3.866 -1.564 1.00 0.00 H new ATOM 383 N ASN A 25 6.215 -3.825 -1.280 1.00 0.00 N ATOM 384 CA ASN A 25 6.917 -4.549 -0.224 1.00 0.00 C ATOM 385 C ASN A 25 8.141 -5.244 -0.795 1.00 0.00 C ATOM 386 O ASN A 25 9.167 -5.391 -0.131 1.00 0.00 O ATOM 387 CB ASN A 25 5.989 -5.581 0.425 1.00 0.00 C ATOM 388 CG ASN A 25 6.055 -5.571 1.941 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.851 -4.848 2.543 1.00 0.00 O ATOM 390 ND2 ASN A 25 5.214 -6.376 2.573 1.00 0.00 N ATOM 0 H ASN A 25 5.303 -4.213 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 25 7.233 -3.834 0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.963 -5.387 0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.251 -6.575 0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.211 -6.412 3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.569 -6.960 2.040 1.00 0.00 H new ATOM 397 N ASN A 26 8.025 -5.636 -2.052 1.00 0.00 N ATOM 398 CA ASN A 26 9.095 -6.339 -2.752 1.00 0.00 C ATOM 399 C ASN A 26 10.183 -5.364 -3.162 1.00 0.00 C ATOM 400 O ASN A 26 11.330 -5.743 -3.395 1.00 0.00 O ATOM 401 CB ASN A 26 8.545 -7.048 -3.989 1.00 0.00 C ATOM 402 CG ASN A 26 8.656 -8.554 -3.894 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.690 -9.095 -3.499 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.583 -9.240 -4.247 1.00 0.00 N ATOM 0 H ASN A 26 7.191 -5.478 -2.618 1.00 0.00 H new ATOM 0 HA ASN A 26 9.518 -7.082 -2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.499 -6.772 -4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.084 -6.703 -4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.590 -10.259 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.748 -8.751 -4.568 1.00 0.00 H new ATOM 411 N TRP A 27 9.807 -4.104 -3.264 1.00 0.00 N ATOM 412 CA TRP A 27 10.743 -3.054 -3.603 1.00 0.00 C ATOM 413 C TRP A 27 11.405 -2.519 -2.345 1.00 0.00 C ATOM 414 O TRP A 27 12.628 -2.470 -2.257 1.00 0.00 O ATOM 415 CB TRP A 27 10.014 -1.931 -4.349 1.00 0.00 C ATOM 416 CG TRP A 27 10.896 -0.795 -4.768 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.677 -0.723 -5.886 1.00 0.00 C ATOM 418 CD2 TRP A 27 11.080 0.441 -4.073 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.328 0.486 -5.928 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.982 1.215 -4.825 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.567 0.966 -2.886 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.381 2.487 -4.426 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.965 2.228 -2.490 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.864 2.976 -3.258 1.00 0.00 C ATOM 0 H TRP A 27 8.851 -3.782 -3.115 1.00 0.00 H new ATOM 0 HA TRP A 27 11.518 -3.460 -4.253 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.536 -2.350 -5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.220 -1.543 -3.711 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.769 -1.502 -6.628 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.966 0.790 -6.663 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.871 0.396 -2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 13.074 3.067 -5.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.576 2.644 -1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 27 12.156 3.960 -2.922 1.00 0.00 H new ATOM 435 N MET A 28 10.589 -2.146 -1.365 1.00 0.00 N ATOM 436 CA MET A 28 11.087 -1.554 -0.130 1.00 0.00 C ATOM 437 C MET A 28 12.073 -2.469 0.579 1.00 0.00 C ATOM 438 O MET A 28 13.133 -2.021 1.004 1.00 0.00 O ATOM 439 CB MET A 28 9.926 -1.217 0.801 1.00 0.00 C ATOM 440 CG MET A 28 9.219 0.071 0.427 1.00 0.00 C ATOM 441 SD MET A 28 8.955 1.153 1.835 1.00 0.00 S ATOM 442 CE MET A 28 7.367 1.841 1.393 1.00 0.00 C ATOM 0 H MET A 28 9.574 -2.244 -1.403 1.00 0.00 H new ATOM 0 HA MET A 28 11.615 -0.638 -0.396 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.207 -2.036 0.787 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.298 -1.137 1.822 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.807 0.598 -0.325 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.258 -0.166 -0.028 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.804 2.068 2.298 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.514 2.756 0.818 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.813 1.120 0.792 1.00 0.00 H new ATOM 452 N GLU A 29 11.734 -3.744 0.693 1.00 0.00 N ATOM 453 CA GLU A 29 12.601 -4.702 1.361 1.00 0.00 C ATOM 454 C GLU A 29 13.947 -4.827 0.649 1.00 0.00 C ATOM 455 O GLU A 29 14.994 -4.877 1.293 1.00 0.00 O ATOM 456 CB GLU A 29 11.919 -6.064 1.443 1.00 0.00 C ATOM 457 CG GLU A 29 11.821 -6.606 2.858 1.00 0.00 C ATOM 458 CD GLU A 29 10.767 -5.907 3.692 1.00 0.00 C ATOM 459 OE1 GLU A 29 10.672 -4.664 3.628 1.00 0.00 O ATOM 460 OE2 GLU A 29 10.036 -6.599 4.433 1.00 0.00 O ATOM 0 H GLU A 29 10.866 -4.139 0.332 1.00 0.00 H new ATOM 0 HA GLU A 29 12.789 -4.336 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.917 -5.986 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.469 -6.775 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.595 -7.672 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.790 -6.504 3.348 1.00 0.00 H new ATOM 467 N SER A 30 13.922 -4.854 -0.677 1.00 0.00 N ATOM 468 CA SER A 30 15.150 -5.000 -1.449 1.00 0.00 C ATOM 469 C SER A 30 15.919 -3.677 -1.505 1.00 0.00 C ATOM 470 O SER A 30 17.139 -3.659 -1.673 1.00 0.00 O ATOM 471 CB SER A 30 14.820 -5.495 -2.857 1.00 0.00 C ATOM 472 OG SER A 30 13.791 -6.475 -2.815 1.00 0.00 O ATOM 0 H SER A 30 13.073 -4.777 -1.237 1.00 0.00 H new ATOM 0 HA SER A 30 15.788 -5.735 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.506 -4.657 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.713 -5.917 -3.318 1.00 0.00 H new ATOM 0 HG SER A 30 12.954 -6.084 -3.142 1.00 0.00 H new ATOM 478 N ALA A 31 15.200 -2.574 -1.352 1.00 0.00 N ATOM 479 CA ALA A 31 15.810 -1.254 -1.394 1.00 0.00 C ATOM 480 C ALA A 31 16.400 -0.871 -0.043 1.00 0.00 C ATOM 481 O ALA A 31 17.541 -0.430 0.043 1.00 0.00 O ATOM 482 CB ALA A 31 14.794 -0.217 -1.832 1.00 0.00 C ATOM 0 H ALA A 31 14.192 -2.568 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 31 16.623 -1.286 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.265 0.766 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.423 -0.468 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.963 -0.202 -1.127 1.00 0.00 H new ATOM 488 N MET A 32 15.619 -1.054 1.014 1.00 0.00 N ATOM 489 CA MET A 32 16.051 -0.682 2.357 1.00 0.00 C ATOM 490 C MET A 32 17.247 -1.512 2.789 1.00 0.00 C ATOM 491 O MET A 32 18.085 -1.049 3.553 1.00 0.00 O ATOM 492 CB MET A 32 14.909 -0.845 3.362 1.00 0.00 C ATOM 493 CG MET A 32 15.013 0.112 4.537 1.00 0.00 C ATOM 494 SD MET A 32 14.306 -0.562 6.056 1.00 0.00 S ATOM 495 CE MET A 32 12.945 0.574 6.320 1.00 0.00 C ATOM 0 H MET A 32 14.683 -1.458 0.968 1.00 0.00 H new ATOM 0 HA MET A 32 16.346 0.367 2.333 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.959 -0.685 2.853 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.903 -1.870 3.734 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.061 0.357 4.708 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.504 1.043 4.287 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.472 0.358 7.278 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.320 1.597 6.323 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.214 0.458 5.520 1.00 0.00 H new ATOM 505 N GLU A 33 17.330 -2.735 2.283 1.00 0.00 N ATOM 506 CA GLU A 33 18.459 -3.604 2.585 1.00 0.00 C ATOM 507 C GLU A 33 19.716 -3.081 1.900 1.00 0.00 C ATOM 508 O GLU A 33 20.795 -3.092 2.483 1.00 0.00 O ATOM 509 CB GLU A 33 18.176 -5.038 2.148 1.00 0.00 C ATOM 510 CG GLU A 33 18.001 -5.999 3.314 1.00 0.00 C ATOM 511 CD GLU A 33 18.701 -7.323 3.093 1.00 0.00 C ATOM 512 OE1 GLU A 33 19.928 -7.325 2.853 1.00 0.00 O ATOM 513 OE2 GLU A 33 18.028 -8.371 3.162 1.00 0.00 O ATOM 0 H GLU A 33 16.632 -3.147 1.664 1.00 0.00 H new ATOM 0 HA GLU A 33 18.614 -3.604 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.274 -5.053 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.995 -5.387 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.388 -5.536 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.938 -6.178 3.475 1.00 0.00 H new ATOM 520 N ASP A 34 19.555 -2.602 0.670 1.00 0.00 N ATOM 521 CA ASP A 34 20.654 -1.992 -0.076 1.00 0.00 C ATOM 522 C ASP A 34 21.116 -0.719 0.616 1.00 0.00 C ATOM 523 O ASP A 34 22.310 -0.443 0.718 1.00 0.00 O ATOM 524 CB ASP A 34 20.211 -1.666 -1.510 1.00 0.00 C ATOM 525 CG ASP A 34 21.300 -0.980 -2.318 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.382 -1.582 -2.499 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.080 0.169 -2.768 1.00 0.00 O ATOM 0 H ASP A 34 18.669 -2.624 0.165 1.00 0.00 H new ATOM 0 HA ASP A 34 21.481 -2.701 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.916 -2.587 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.330 -1.025 -1.477 1.00 0.00 H new ATOM 532 N LEU A 35 20.154 0.041 1.107 1.00 0.00 N ATOM 533 CA LEU A 35 20.435 1.320 1.744 1.00 0.00 C ATOM 534 C LEU A 35 21.029 1.118 3.137 1.00 0.00 C ATOM 535 O LEU A 35 21.715 1.993 3.664 1.00 0.00 O ATOM 536 CB LEU A 35 19.156 2.157 1.826 1.00 0.00 C ATOM 537 CG LEU A 35 18.878 3.064 0.618 1.00 0.00 C ATOM 538 CD1 LEU A 35 18.933 2.282 -0.684 1.00 0.00 C ATOM 539 CD2 LEU A 35 17.523 3.732 0.758 1.00 0.00 C ATOM 0 H LEU A 35 19.165 -0.205 1.078 1.00 0.00 H new ATOM 0 HA LEU A 35 21.169 1.852 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.309 1.483 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.206 2.778 2.720 1.00 0.00 H new ATOM 0 HG LEU A 35 19.655 3.828 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.732 2.952 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 35 19.923 1.841 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.184 1.491 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.341 4.371 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.746 2.970 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.507 4.336 1.666 1.00 0.00 H new ATOM 551 N GLN A 36 20.760 -0.039 3.726 1.00 0.00 N ATOM 552 CA GLN A 36 21.229 -0.353 5.064 1.00 0.00 C ATOM 553 C GLN A 36 22.575 -1.070 5.043 1.00 0.00 C ATOM 554 O GLN A 36 23.384 -0.919 5.962 1.00 0.00 O ATOM 555 CB GLN A 36 20.207 -1.231 5.768 1.00 0.00 C ATOM 556 CG GLN A 36 19.881 -0.761 7.163 1.00 0.00 C ATOM 557 CD GLN A 36 18.431 -0.352 7.313 1.00 0.00 C ATOM 558 OE1 GLN A 36 18.126 0.698 7.884 1.00 0.00 O ATOM 559 NE2 GLN A 36 17.527 -1.177 6.812 1.00 0.00 N ATOM 0 H GLN A 36 20.213 -0.782 3.290 1.00 0.00 H new ATOM 0 HA GLN A 36 21.357 0.588 5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.291 -1.257 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.585 -2.252 5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.106 -1.557 7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.522 0.083 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.822 -2.036 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.535 -0.955 6.890 1.00 0.00 H new ATOM 568 N ASP A 37 22.800 -1.864 4.009 1.00 0.00 N ATOM 569 CA ASP A 37 23.998 -2.695 3.923 1.00 0.00 C ATOM 570 C ASP A 37 25.227 -1.883 3.535 1.00 0.00 C ATOM 571 O ASP A 37 25.148 -0.681 3.276 1.00 0.00 O ATOM 572 CB ASP A 37 23.791 -3.828 2.914 1.00 0.00 C ATOM 573 CG ASP A 37 24.500 -5.105 3.321 1.00 0.00 C ATOM 574 OD1 ASP A 37 25.332 -5.063 4.257 1.00 0.00 O ATOM 575 OD2 ASP A 37 24.228 -6.161 2.713 1.00 0.00 O ATOM 0 H ASP A 37 22.169 -1.953 3.213 1.00 0.00 H new ATOM 0 HA ASP A 37 24.170 -3.115 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.724 -4.026 2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.154 -3.510 1.937 1.00 0.00 H new ATOM 580 N MET A 38 26.366 -2.555 3.515 1.00 0.00 N ATOM 581 CA MET A 38 27.622 -1.943 3.121 1.00 0.00 C ATOM 582 C MET A 38 28.051 -2.491 1.768 1.00 0.00 C ATOM 583 O MET A 38 27.865 -3.674 1.480 1.00 0.00 O ATOM 584 CB MET A 38 28.702 -2.204 4.176 1.00 0.00 C ATOM 585 CG MET A 38 30.063 -1.609 3.840 1.00 0.00 C ATOM 586 SD MET A 38 29.963 0.108 3.291 1.00 0.00 S ATOM 587 CE MET A 38 31.628 0.351 2.673 1.00 0.00 C ATOM 0 H MET A 38 26.445 -3.539 3.771 1.00 0.00 H new ATOM 0 HA MET A 38 27.484 -0.865 3.041 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.367 -1.798 5.130 1.00 0.00 H new ATOM 0 HB3 MET A 38 28.812 -3.280 4.308 1.00 0.00 H new ATOM 0 HG2 MET A 38 30.706 -1.668 4.718 1.00 0.00 H new ATOM 0 HG3 MET A 38 30.533 -2.208 3.060 1.00 0.00 H new ATOM 0 HE1 MET A 38 31.630 1.156 1.939 1.00 0.00 H new ATOM 0 HE2 MET A 38 32.288 0.612 3.500 1.00 0.00 H new ATOM 0 HE3 MET A 38 31.980 -0.568 2.204 1.00 0.00 H new ATOM 597 N PHE A 39 28.612 -1.630 0.945 1.00 0.00 N ATOM 598 CA PHE A 39 29.004 -2.004 -0.399 1.00 0.00 C ATOM 599 C PHE A 39 30.520 -1.958 -0.547 1.00 0.00 C ATOM 600 O PHE A 39 31.156 -0.960 -0.209 1.00 0.00 O ATOM 601 CB PHE A 39 28.340 -1.075 -1.427 1.00 0.00 C ATOM 602 CG PHE A 39 28.792 0.362 -1.346 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.386 1.180 -0.303 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.628 0.889 -2.316 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.805 2.494 -0.230 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.050 2.202 -2.248 1.00 0.00 C ATOM 607 CZ PHE A 39 29.638 3.006 -1.206 1.00 0.00 C ATOM 0 H PHE A 39 28.808 -0.658 1.185 1.00 0.00 H new ATOM 0 HA PHE A 39 28.670 -3.025 -0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.547 -1.453 -2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.259 -1.112 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.734 0.785 0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 39 29.954 0.266 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.482 3.120 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 39 30.703 2.599 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 39 29.966 4.034 -1.153 1.00 0.00 H new ATOM 617 N ILE A 40 31.101 -3.039 -1.024 1.00 0.00 N ATOM 618 CA ILE A 40 32.516 -3.041 -1.327 1.00 0.00 C ATOM 619 C ILE A 40 32.729 -2.987 -2.837 1.00 0.00 C ATOM 620 O ILE A 40 32.212 -3.809 -3.597 1.00 0.00 O ATOM 621 CB ILE A 40 33.256 -4.239 -0.678 1.00 0.00 C ATOM 622 CG1 ILE A 40 34.725 -3.882 -0.444 1.00 0.00 C ATOM 623 CG2 ILE A 40 33.142 -5.498 -1.518 1.00 0.00 C ATOM 624 CD1 ILE A 40 34.927 -2.812 0.607 1.00 0.00 C ATOM 0 H ILE A 40 30.621 -3.920 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 40 32.955 -2.146 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 40 32.779 -4.445 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 40 35.266 -4.780 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 40 35.163 -3.544 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 40 33.674 -6.313 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.092 -5.767 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 40 33.578 -5.320 -2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 40 35.992 -2.610 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 40 34.415 -1.900 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 40 34.520 -3.155 1.558 1.00 0.00 H new ATOM 636 N VAL A 41 33.420 -1.956 -3.269 1.00 0.00 N ATOM 637 CA VAL A 41 33.676 -1.745 -4.682 1.00 0.00 C ATOM 638 C VAL A 41 35.160 -1.521 -4.932 1.00 0.00 C ATOM 639 O VAL A 41 35.667 -0.412 -4.768 1.00 0.00 O ATOM 640 CB VAL A 41 32.864 -0.556 -5.235 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.516 -1.030 -5.743 1.00 0.00 C ATOM 642 CG2 VAL A 41 32.689 0.525 -4.179 1.00 0.00 C ATOM 0 H VAL A 41 33.819 -1.243 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 41 33.358 -2.646 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 41 33.418 -0.123 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 41 30.954 -0.180 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.663 -1.761 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 41 30.961 -1.490 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 41 32.113 1.351 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 41 32.161 0.112 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 41 33.667 0.888 -3.864 1.00 0.00 H new ATOM 652 N HIS A 42 35.855 -2.577 -5.314 1.00 0.00 N ATOM 653 CA HIS A 42 37.282 -2.491 -5.565 1.00 0.00 C ATOM 654 C HIS A 42 37.551 -2.061 -6.997 1.00 0.00 C ATOM 655 O HIS A 42 38.530 -1.371 -7.275 1.00 0.00 O ATOM 656 CB HIS A 42 37.953 -3.838 -5.311 1.00 0.00 C ATOM 657 CG HIS A 42 37.984 -4.235 -3.871 1.00 0.00 C ATOM 658 ND1 HIS A 42 37.550 -5.461 -3.420 1.00 0.00 N ATOM 659 CD2 HIS A 42 38.404 -3.561 -2.778 1.00 0.00 C ATOM 660 CE1 HIS A 42 37.699 -5.523 -2.113 1.00 0.00 C ATOM 661 NE2 HIS A 42 38.216 -4.384 -1.697 1.00 0.00 N ATOM 0 H HIS A 42 35.455 -3.504 -5.457 1.00 0.00 H new ATOM 0 HA HIS A 42 37.696 -1.747 -4.884 1.00 0.00 H new ATOM 0 HB2 HIS A 42 37.429 -4.607 -5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 42 38.974 -3.802 -5.690 1.00 0.00 H new ATOM 0 HD2 HIS A 42 38.812 -2.561 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 42 37.441 -6.365 -1.488 1.00 0.00 H new ATOM 0 HE2 HIS A 42 38.440 -4.152 -0.729 1.00 0.00 H new ATOM 670 N THR A 43 36.672 -2.467 -7.898 1.00 0.00 N ATOM 671 CA THR A 43 36.870 -2.233 -9.313 1.00 0.00 C ATOM 672 C THR A 43 35.881 -1.199 -9.845 1.00 0.00 C ATOM 673 O THR A 43 34.729 -1.139 -9.405 1.00 0.00 O ATOM 674 CB THR A 43 36.735 -3.555 -10.087 1.00 0.00 C ATOM 675 OG1 THR A 43 36.096 -4.533 -9.258 1.00 0.00 O ATOM 676 CG2 THR A 43 38.102 -4.074 -10.502 1.00 0.00 C ATOM 0 H THR A 43 35.810 -2.963 -7.670 1.00 0.00 H new ATOM 0 HA THR A 43 37.875 -1.837 -9.458 1.00 0.00 H new ATOM 0 HB THR A 43 36.137 -3.373 -10.980 1.00 0.00 H new ATOM 0 HG1 THR A 43 36.009 -5.375 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 43 37.985 -5.010 -11.048 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.591 -3.339 -11.141 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.711 -4.245 -9.614 1.00 0.00 H new ATOM 684 N ILE A 44 36.340 -0.377 -10.780 1.00 0.00 N ATOM 685 CA ILE A 44 35.535 0.705 -11.329 1.00 0.00 C ATOM 686 C ILE A 44 34.371 0.159 -12.147 1.00 0.00 C ATOM 687 O ILE A 44 33.271 0.717 -12.139 1.00 0.00 O ATOM 688 CB ILE A 44 36.396 1.647 -12.204 1.00 0.00 C ATOM 689 CG1 ILE A 44 35.537 2.795 -12.747 1.00 0.00 C ATOM 690 CG2 ILE A 44 37.083 0.878 -13.330 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.290 2.764 -14.245 1.00 0.00 C ATOM 0 H ILE A 44 37.277 -0.441 -11.177 1.00 0.00 H new ATOM 0 HA ILE A 44 35.135 1.275 -10.490 1.00 0.00 H new ATOM 0 HB ILE A 44 37.183 2.076 -11.583 1.00 0.00 H new ATOM 0 HG12 ILE A 44 34.574 2.781 -12.236 1.00 0.00 H new ATOM 0 HG13 ILE A 44 36.019 3.739 -12.494 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.681 1.566 -13.928 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.730 0.111 -12.905 1.00 0.00 H new ATOM 0 HG23 ILE A 44 36.330 0.408 -13.962 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.673 3.616 -14.530 1.00 0.00 H new ATOM 0 HD12 ILE A 44 36.243 2.813 -14.772 1.00 0.00 H new ATOM 0 HD13 ILE A 44 34.776 1.840 -14.510 1.00 0.00 H new ATOM 703 N GLU A 45 34.626 -0.942 -12.834 1.00 0.00 N ATOM 704 CA GLU A 45 33.635 -1.601 -13.663 1.00 0.00 C ATOM 705 C GLU A 45 32.363 -1.912 -12.878 1.00 0.00 C ATOM 706 O GLU A 45 31.261 -1.859 -13.422 1.00 0.00 O ATOM 707 CB GLU A 45 34.237 -2.882 -14.232 1.00 0.00 C ATOM 708 CG GLU A 45 35.017 -2.663 -15.515 1.00 0.00 C ATOM 709 CD GLU A 45 34.900 -3.822 -16.484 1.00 0.00 C ATOM 710 OE1 GLU A 45 33.805 -4.416 -16.589 1.00 0.00 O ATOM 711 OE2 GLU A 45 35.904 -4.139 -17.157 1.00 0.00 O ATOM 0 H GLU A 45 35.534 -1.406 -12.831 1.00 0.00 H new ATOM 0 HA GLU A 45 33.356 -0.930 -14.475 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.896 -3.327 -13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 45 33.437 -3.598 -14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.661 -1.754 -16.000 1.00 0.00 H new ATOM 0 HG3 GLU A 45 36.068 -2.504 -15.272 1.00 0.00 H new ATOM 718 N GLU A 46 32.516 -2.227 -11.597 1.00 0.00 N ATOM 719 CA GLU A 46 31.365 -2.497 -10.745 1.00 0.00 C ATOM 720 C GLU A 46 30.729 -1.195 -10.291 1.00 0.00 C ATOM 721 O GLU A 46 29.513 -1.091 -10.217 1.00 0.00 O ATOM 722 CB GLU A 46 31.762 -3.324 -9.519 1.00 0.00 C ATOM 723 CG GLU A 46 33.016 -4.156 -9.708 1.00 0.00 C ATOM 724 CD GLU A 46 33.179 -5.209 -8.634 1.00 0.00 C ATOM 725 OE1 GLU A 46 32.988 -4.885 -7.445 1.00 0.00 O ATOM 726 OE2 GLU A 46 33.507 -6.369 -8.972 1.00 0.00 O ATOM 0 H GLU A 46 33.419 -2.301 -11.129 1.00 0.00 H new ATOM 0 HA GLU A 46 30.647 -3.070 -11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.910 -2.652 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 46 30.936 -3.986 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.984 -4.639 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 46 33.887 -3.501 -9.705 1.00 0.00 H new ATOM 733 N ILE A 47 31.557 -0.196 -10.022 1.00 0.00 N ATOM 734 CA ILE A 47 31.091 1.096 -9.532 1.00 0.00 C ATOM 735 C ILE A 47 30.137 1.736 -10.539 1.00 0.00 C ATOM 736 O ILE A 47 29.134 2.342 -10.161 1.00 0.00 O ATOM 737 CB ILE A 47 32.292 2.041 -9.233 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.549 2.100 -7.724 1.00 0.00 C ATOM 739 CG2 ILE A 47 32.072 3.446 -9.785 1.00 0.00 C ATOM 740 CD1 ILE A 47 31.376 2.623 -6.918 1.00 0.00 C ATOM 0 H ILE A 47 32.569 -0.256 -10.136 1.00 0.00 H new ATOM 0 HA ILE A 47 30.550 0.934 -8.600 1.00 0.00 H new ATOM 0 HB ILE A 47 33.166 1.629 -9.737 1.00 0.00 H new ATOM 0 HG12 ILE A 47 32.803 1.101 -7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.416 2.734 -7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 47 32.936 4.068 -9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 47 31.942 3.396 -10.866 1.00 0.00 H new ATOM 0 HG23 ILE A 47 31.180 3.879 -9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 47 31.638 2.634 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.134 3.635 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 47 30.512 1.977 -7.072 1.00 0.00 H new ATOM 752 N GLU A 48 30.433 1.544 -11.820 1.00 0.00 N ATOM 753 CA GLU A 48 29.633 2.127 -12.888 1.00 0.00 C ATOM 754 C GLU A 48 28.393 1.284 -13.176 1.00 0.00 C ATOM 755 O GLU A 48 27.678 1.529 -14.148 1.00 0.00 O ATOM 756 CB GLU A 48 30.473 2.289 -14.155 1.00 0.00 C ATOM 757 CG GLU A 48 31.393 3.495 -14.115 1.00 0.00 C ATOM 758 CD GLU A 48 30.702 4.777 -14.539 1.00 0.00 C ATOM 759 OE1 GLU A 48 29.455 4.801 -14.608 1.00 0.00 O ATOM 760 OE2 GLU A 48 31.402 5.775 -14.810 1.00 0.00 O ATOM 0 H GLU A 48 31.224 0.987 -12.143 1.00 0.00 H new ATOM 0 HA GLU A 48 29.300 3.111 -12.558 1.00 0.00 H new ATOM 0 HB2 GLU A 48 31.071 1.390 -14.304 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.808 2.376 -15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 48 31.783 3.615 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 48 32.248 3.316 -14.767 1.00 0.00 H new ATOM 767 N GLY A 49 28.162 0.272 -12.351 1.00 0.00 N ATOM 768 CA GLY A 49 26.919 -0.480 -12.426 1.00 0.00 C ATOM 769 C GLY A 49 26.194 -0.475 -11.097 1.00 0.00 C ATOM 770 O GLY A 49 24.965 -0.439 -11.030 1.00 0.00 O ATOM 0 H GLY A 49 28.811 -0.044 -11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.277 -0.050 -13.195 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.130 -1.507 -12.724 1.00 0.00 H new ATOM 774 N LEU A 50 26.990 -0.499 -10.044 1.00 0.00 N ATOM 775 CA LEU A 50 26.534 -0.469 -8.676 1.00 0.00 C ATOM 776 C LEU A 50 25.902 0.890 -8.351 1.00 0.00 C ATOM 777 O LEU A 50 24.797 0.963 -7.811 1.00 0.00 O ATOM 778 CB LEU A 50 27.771 -0.744 -7.813 1.00 0.00 C ATOM 779 CG LEU A 50 27.578 -1.022 -6.331 1.00 0.00 C ATOM 780 CD1 LEU A 50 28.204 0.111 -5.550 1.00 0.00 C ATOM 781 CD2 LEU A 50 26.114 -1.215 -5.965 1.00 0.00 C ATOM 0 H LEU A 50 28.006 -0.541 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 50 25.761 -1.214 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.292 -1.598 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.436 0.115 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 50 28.069 -1.961 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 50 28.077 -0.069 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 50 29.267 0.170 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.720 1.050 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.029 -1.411 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.555 -0.313 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.708 -2.059 -6.522 1.00 0.00 H new ATOM 793 N ILE A 51 26.606 1.961 -8.693 1.00 0.00 N ATOM 794 CA ILE A 51 26.104 3.311 -8.453 1.00 0.00 C ATOM 795 C ILE A 51 24.832 3.572 -9.252 1.00 0.00 C ATOM 796 O ILE A 51 23.883 4.162 -8.742 1.00 0.00 O ATOM 797 CB ILE A 51 27.164 4.379 -8.803 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.247 4.401 -7.731 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.529 5.759 -8.945 1.00 0.00 C ATOM 800 CD1 ILE A 51 29.313 5.442 -7.975 1.00 0.00 C ATOM 0 H ILE A 51 27.524 1.924 -9.136 1.00 0.00 H new ATOM 0 HA ILE A 51 25.877 3.383 -7.389 1.00 0.00 H new ATOM 0 HB ILE A 51 27.613 4.118 -9.762 1.00 0.00 H new ATOM 0 HG12 ILE A 51 27.784 4.586 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.715 3.418 -7.678 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.299 6.490 -9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.783 5.736 -9.739 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.051 6.038 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.051 5.402 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 51 29.802 5.245 -8.929 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.857 6.432 -7.998 1.00 0.00 H new ATOM 812 N SER A 52 24.813 3.107 -10.494 1.00 0.00 N ATOM 813 CA SER A 52 23.675 3.301 -11.380 1.00 0.00 C ATOM 814 C SER A 52 22.404 2.687 -10.797 1.00 0.00 C ATOM 815 O SER A 52 21.302 3.199 -11.003 1.00 0.00 O ATOM 816 CB SER A 52 23.998 2.691 -12.738 1.00 0.00 C ATOM 817 OG SER A 52 25.384 2.410 -12.832 1.00 0.00 O ATOM 0 H SER A 52 25.583 2.587 -10.914 1.00 0.00 H new ATOM 0 HA SER A 52 23.490 4.369 -11.493 1.00 0.00 H new ATOM 0 HB2 SER A 52 23.424 1.775 -12.879 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.704 3.377 -13.532 1.00 0.00 H new ATOM 0 HG SER A 52 25.740 2.794 -13.660 1.00 0.00 H new ATOM 823 N ALA A 53 22.565 1.612 -10.034 1.00 0.00 N ATOM 824 CA ALA A 53 21.439 0.953 -9.389 1.00 0.00 C ATOM 825 C ALA A 53 20.830 1.852 -8.314 1.00 0.00 C ATOM 826 O ALA A 53 19.646 1.740 -7.986 1.00 0.00 O ATOM 827 CB ALA A 53 21.881 -0.377 -8.795 1.00 0.00 C ATOM 0 H ALA A 53 23.469 1.178 -9.847 1.00 0.00 H new ATOM 0 HA ALA A 53 20.672 0.760 -10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.031 -0.862 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.265 -1.020 -9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.664 -0.204 -8.057 1.00 0.00 H new ATOM 833 N HIS A 54 21.649 2.750 -7.778 1.00 0.00 N ATOM 834 CA HIS A 54 21.201 3.710 -6.779 1.00 0.00 C ATOM 835 C HIS A 54 20.883 5.051 -7.436 1.00 0.00 C ATOM 836 O HIS A 54 20.260 5.922 -6.829 1.00 0.00 O ATOM 837 CB HIS A 54 22.274 3.890 -5.699 1.00 0.00 C ATOM 838 CG HIS A 54 21.758 4.469 -4.417 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.990 3.754 -3.525 1.00 0.00 N ATOM 840 CD2 HIS A 54 21.900 5.706 -3.879 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.678 4.528 -2.500 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.219 5.717 -2.691 1.00 0.00 N ATOM 0 H HIS A 54 22.636 2.832 -8.022 1.00 0.00 H new ATOM 0 HA HIS A 54 20.294 3.328 -6.311 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.731 2.923 -5.491 1.00 0.00 H new ATOM 0 HB3 HIS A 54 23.061 4.537 -6.087 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.449 6.531 -4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 54 20.081 4.237 -1.649 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.142 6.513 -2.058 1.00 0.00 H new ATOM 851 N ASP A 55 21.320 5.205 -8.678 1.00 0.00 N ATOM 852 CA ASP A 55 21.024 6.401 -9.462 1.00 0.00 C ATOM 853 C ASP A 55 19.609 6.318 -10.009 1.00 0.00 C ATOM 854 O ASP A 55 18.814 7.248 -9.861 1.00 0.00 O ATOM 855 CB ASP A 55 22.029 6.550 -10.609 1.00 0.00 C ATOM 856 CG ASP A 55 21.835 7.827 -11.406 1.00 0.00 C ATOM 857 OD1 ASP A 55 21.332 8.820 -10.847 1.00 0.00 O ATOM 858 OD2 ASP A 55 22.207 7.848 -12.600 1.00 0.00 O ATOM 0 H ASP A 55 21.885 4.512 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 55 21.106 7.276 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 55 23.040 6.532 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.938 5.694 -11.277 1.00 0.00 H new ATOM 863 N GLN A 56 19.287 5.171 -10.606 1.00 0.00 N ATOM 864 CA GLN A 56 17.940 4.908 -11.108 1.00 0.00 C ATOM 865 C GLN A 56 16.950 4.841 -9.952 1.00 0.00 C ATOM 866 O GLN A 56 15.739 4.884 -10.153 1.00 0.00 O ATOM 867 CB GLN A 56 17.913 3.599 -11.899 1.00 0.00 C ATOM 868 CG GLN A 56 18.643 3.677 -13.230 1.00 0.00 C ATOM 869 CD GLN A 56 18.126 2.668 -14.237 1.00 0.00 C ATOM 870 OE1 GLN A 56 17.058 2.850 -14.825 1.00 0.00 O ATOM 871 NE2 GLN A 56 18.875 1.597 -14.441 1.00 0.00 N ATOM 0 H GLN A 56 19.945 4.406 -10.754 1.00 0.00 H new ATOM 0 HA GLN A 56 17.652 5.724 -11.771 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.360 2.810 -11.295 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.876 3.314 -12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.537 4.681 -13.640 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.708 3.510 -13.067 1.00 0.00 H new ATOM 0 HE21 GLN A 56 19.753 1.484 -13.934 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.575 0.884 -15.106 1.00 0.00 H new ATOM 880 N PHE A 57 17.483 4.749 -8.740 1.00 0.00 N ATOM 881 CA PHE A 57 16.673 4.763 -7.535 1.00 0.00 C ATOM 882 C PHE A 57 15.882 6.060 -7.441 1.00 0.00 C ATOM 883 O PHE A 57 14.724 6.060 -7.030 1.00 0.00 O ATOM 884 CB PHE A 57 17.571 4.604 -6.305 1.00 0.00 C ATOM 885 CG PHE A 57 16.863 4.100 -5.082 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.379 2.804 -5.032 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.691 4.921 -3.978 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.736 2.336 -3.903 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.048 4.458 -2.849 1.00 0.00 C ATOM 890 CZ PHE A 57 15.570 3.164 -2.811 1.00 0.00 C ATOM 0 H PHE A 57 18.485 4.663 -8.568 1.00 0.00 H new ATOM 0 HA PHE A 57 15.970 3.931 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.382 3.918 -6.549 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.026 5.567 -6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.505 2.153 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.065 5.934 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.363 1.323 -3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.919 5.107 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.067 2.799 -1.928 1.00 0.00 H new ATOM 900 N LYS A 58 16.507 7.155 -7.854 1.00 0.00 N ATOM 901 CA LYS A 58 15.868 8.465 -7.821 1.00 0.00 C ATOM 902 C LYS A 58 14.821 8.576 -8.912 1.00 0.00 C ATOM 903 O LYS A 58 13.992 9.481 -8.904 1.00 0.00 O ATOM 904 CB LYS A 58 16.909 9.574 -7.988 1.00 0.00 C ATOM 905 CG LYS A 58 16.912 10.576 -6.848 1.00 0.00 C ATOM 906 CD LYS A 58 16.744 9.880 -5.509 1.00 0.00 C ATOM 907 CE LYS A 58 18.003 9.123 -5.114 1.00 0.00 C ATOM 908 NZ LYS A 58 19.035 10.020 -4.529 1.00 0.00 N ATOM 0 H LYS A 58 17.460 7.162 -8.217 1.00 0.00 H new ATOM 0 HA LYS A 58 15.381 8.579 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.898 9.124 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.721 10.100 -8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.846 11.137 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.107 11.296 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.505 10.617 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.903 9.189 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.747 8.347 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.414 8.621 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.619 9.484 -3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.638 10.397 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.570 10.807 -4.033 1.00 0.00 H new ATOM 922 N SER A 59 14.857 7.642 -9.841 1.00 0.00 N ATOM 923 CA SER A 59 13.910 7.629 -10.936 1.00 0.00 C ATOM 924 C SER A 59 12.695 6.794 -10.554 1.00 0.00 C ATOM 925 O SER A 59 11.565 7.097 -10.944 1.00 0.00 O ATOM 926 CB SER A 59 14.576 7.076 -12.194 1.00 0.00 C ATOM 927 OG SER A 59 15.959 7.394 -12.209 1.00 0.00 O ATOM 0 H SER A 59 15.535 6.880 -9.859 1.00 0.00 H new ATOM 0 HA SER A 59 13.580 8.647 -11.143 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.446 5.995 -12.235 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.093 7.489 -13.079 1.00 0.00 H new ATOM 0 HG SER A 59 16.385 6.963 -12.979 1.00 0.00 H new ATOM 933 N THR A 60 12.935 5.752 -9.773 1.00 0.00 N ATOM 934 CA THR A 60 11.857 4.912 -9.274 1.00 0.00 C ATOM 935 C THR A 60 11.168 5.556 -8.069 1.00 0.00 C ATOM 936 O THR A 60 10.011 5.250 -7.772 1.00 0.00 O ATOM 937 CB THR A 60 12.381 3.521 -8.874 1.00 0.00 C ATOM 938 OG1 THR A 60 13.769 3.609 -8.513 1.00 0.00 O ATOM 939 CG2 THR A 60 12.209 2.532 -10.015 1.00 0.00 C ATOM 0 H THR A 60 13.867 5.468 -9.471 1.00 0.00 H new ATOM 0 HA THR A 60 11.133 4.804 -10.082 1.00 0.00 H new ATOM 0 HB THR A 60 11.804 3.167 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.098 2.722 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.586 1.556 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.152 2.450 -10.269 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.765 2.880 -10.885 1.00 0.00 H new ATOM 947 N LEU A 61 11.886 6.452 -7.392 1.00 0.00 N ATOM 948 CA LEU A 61 11.377 7.110 -6.184 1.00 0.00 C ATOM 949 C LEU A 61 10.019 7.779 -6.419 1.00 0.00 C ATOM 950 O LEU A 61 9.048 7.397 -5.781 1.00 0.00 O ATOM 951 CB LEU A 61 12.391 8.136 -5.649 1.00 0.00 C ATOM 952 CG LEU A 61 13.465 7.598 -4.696 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.789 8.632 -3.630 1.00 0.00 C ATOM 954 CD2 LEU A 61 13.029 6.290 -4.047 1.00 0.00 C ATOM 0 H LEU A 61 12.827 6.741 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 61 11.235 6.331 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.890 8.599 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.841 8.924 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 61 14.362 7.398 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.553 8.237 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.158 9.541 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.889 8.860 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.813 5.937 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.113 6.453 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.848 5.543 -4.820 1.00 0.00 H new ATOM 966 N PRO A 62 9.905 8.766 -7.340 1.00 0.00 N ATOM 967 CA PRO A 62 8.646 9.496 -7.548 1.00 0.00 C ATOM 968 C PRO A 62 7.499 8.577 -7.967 1.00 0.00 C ATOM 969 O PRO A 62 6.340 8.834 -7.649 1.00 0.00 O ATOM 970 CB PRO A 62 8.971 10.490 -8.669 1.00 0.00 C ATOM 971 CG PRO A 62 10.195 9.954 -9.324 1.00 0.00 C ATOM 972 CD PRO A 62 10.962 9.250 -8.245 1.00 0.00 C ATOM 0 HA PRO A 62 8.308 9.974 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.147 10.567 -9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.143 11.490 -8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.938 9.269 -10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.787 10.757 -9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.557 8.429 -8.645 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.651 9.924 -7.735 1.00 0.00 H new ATOM 980 N ASP A 63 7.837 7.496 -8.660 1.00 0.00 N ATOM 981 CA ASP A 63 6.831 6.549 -9.122 1.00 0.00 C ATOM 982 C ASP A 63 6.284 5.742 -7.949 1.00 0.00 C ATOM 983 O ASP A 63 5.073 5.649 -7.753 1.00 0.00 O ATOM 984 CB ASP A 63 7.417 5.614 -10.181 1.00 0.00 C ATOM 985 CG ASP A 63 6.558 5.545 -11.429 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.358 5.889 -11.353 1.00 0.00 O ATOM 987 OD2 ASP A 63 7.077 5.154 -12.497 1.00 0.00 O ATOM 0 H ASP A 63 8.795 7.255 -8.913 1.00 0.00 H new ATOM 0 HA ASP A 63 6.013 7.110 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.417 5.955 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.523 4.614 -9.760 1.00 0.00 H new ATOM 992 N ALA A 64 7.194 5.182 -7.159 1.00 0.00 N ATOM 993 CA ALA A 64 6.821 4.416 -5.976 1.00 0.00 C ATOM 994 C ALA A 64 6.215 5.332 -4.914 1.00 0.00 C ATOM 995 O ALA A 64 5.334 4.929 -4.157 1.00 0.00 O ATOM 996 CB ALA A 64 8.035 3.672 -5.428 1.00 0.00 C ATOM 0 H ALA A 64 8.200 5.245 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 64 6.066 3.681 -6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.745 3.103 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.418 2.991 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.810 4.389 -5.159 1.00 0.00 H new ATOM 1002 N ASP A 65 6.692 6.571 -4.878 1.00 0.00 N ATOM 1003 CA ASP A 65 6.173 7.585 -3.965 1.00 0.00 C ATOM 1004 C ASP A 65 4.697 7.846 -4.246 1.00 0.00 C ATOM 1005 O ASP A 65 3.870 7.863 -3.334 1.00 0.00 O ATOM 1006 CB ASP A 65 6.973 8.885 -4.112 1.00 0.00 C ATOM 1007 CG ASP A 65 6.319 10.079 -3.440 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.365 10.644 -4.015 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.779 10.474 -2.348 1.00 0.00 O ATOM 0 H ASP A 65 7.447 6.901 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 65 6.275 7.219 -2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.967 8.740 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.106 9.102 -5.172 1.00 0.00 H new ATOM 1014 N ARG A 66 4.374 8.031 -5.520 1.00 0.00 N ATOM 1015 CA ARG A 66 3.004 8.277 -5.933 1.00 0.00 C ATOM 1016 C ARG A 66 2.143 7.047 -5.674 1.00 0.00 C ATOM 1017 O ARG A 66 0.983 7.162 -5.273 1.00 0.00 O ATOM 1018 CB ARG A 66 2.971 8.663 -7.412 1.00 0.00 C ATOM 1019 CG ARG A 66 2.700 10.141 -7.659 1.00 0.00 C ATOM 1020 CD ARG A 66 3.227 11.017 -6.530 1.00 0.00 C ATOM 1021 NE ARG A 66 2.150 11.753 -5.872 1.00 0.00 N ATOM 1022 CZ ARG A 66 1.924 11.751 -4.557 1.00 0.00 C ATOM 1023 NH1 ARG A 66 2.769 11.151 -3.722 1.00 0.00 N ATOM 1024 NH2 ARG A 66 0.871 12.395 -4.075 1.00 0.00 N ATOM 0 H ARG A 66 5.048 8.015 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 66 2.597 9.102 -5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.925 8.398 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.203 8.074 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.165 10.442 -8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.627 10.299 -7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.744 10.396 -5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.960 11.720 -6.926 1.00 0.00 H new ATOM 0 HE ARG A 66 1.527 12.307 -6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.601 10.686 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.585 11.157 -2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.241 12.887 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.691 12.398 -3.071 1.00 0.00 H new ATOM 1038 N GLU A 67 2.728 5.871 -5.887 1.00 0.00 N ATOM 1039 CA GLU A 67 2.054 4.611 -5.611 1.00 0.00 C ATOM 1040 C GLU A 67 1.724 4.494 -4.124 1.00 0.00 C ATOM 1041 O GLU A 67 0.679 3.965 -3.754 1.00 0.00 O ATOM 1042 CB GLU A 67 2.924 3.430 -6.047 1.00 0.00 C ATOM 1043 CG GLU A 67 2.124 2.194 -6.423 1.00 0.00 C ATOM 1044 CD GLU A 67 1.742 2.167 -7.888 1.00 0.00 C ATOM 1045 OE1 GLU A 67 0.780 2.866 -8.272 1.00 0.00 O ATOM 1046 OE2 GLU A 67 2.405 1.451 -8.667 1.00 0.00 O ATOM 0 H GLU A 67 3.675 5.767 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 67 1.124 4.591 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.532 3.732 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.610 3.177 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.707 1.304 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.220 2.153 -5.815 1.00 0.00 H new ATOM 1053 N ARG A 68 2.616 5.009 -3.281 1.00 0.00 N ATOM 1054 CA ARG A 68 2.422 4.993 -1.835 1.00 0.00 C ATOM 1055 C ARG A 68 1.115 5.688 -1.461 1.00 0.00 C ATOM 1056 O ARG A 68 0.346 5.190 -0.633 1.00 0.00 O ATOM 1057 CB ARG A 68 3.622 5.659 -1.137 1.00 0.00 C ATOM 1058 CG ARG A 68 3.266 6.497 0.086 1.00 0.00 C ATOM 1059 CD ARG A 68 3.572 7.967 -0.145 1.00 0.00 C ATOM 1060 NE ARG A 68 4.796 8.385 0.531 1.00 0.00 N ATOM 1061 CZ ARG A 68 4.976 9.598 1.060 1.00 0.00 C ATOM 1062 NH1 ARG A 68 4.042 10.533 0.922 1.00 0.00 N ATOM 1063 NH2 ARG A 68 6.105 9.881 1.707 1.00 0.00 N ATOM 0 H ARG A 68 3.488 5.446 -3.579 1.00 0.00 H new ATOM 0 HA ARG A 68 2.357 3.958 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.326 4.883 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.137 6.294 -1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.208 6.375 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.825 6.138 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.667 8.153 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.737 8.571 0.211 1.00 0.00 H new ATOM 0 HE ARG A 68 5.558 7.711 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.184 10.325 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.183 11.458 1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.832 9.171 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.243 10.807 2.111 1.00 0.00 H new ATOM 1077 N GLU A 69 0.848 6.826 -2.090 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.368 7.573 -1.805 1.00 0.00 C ATOM 1079 C GLU A 69 -1.568 6.911 -2.469 1.00 0.00 C ATOM 1080 O GLU A 69 -2.686 6.977 -1.961 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.235 9.024 -2.263 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.306 10.019 -1.116 1.00 0.00 C ATOM 1083 CD GLU A 69 0.825 11.025 -1.139 1.00 0.00 C ATOM 1084 OE1 GLU A 69 1.977 10.647 -0.850 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.570 12.201 -1.463 1.00 0.00 O ATOM 0 H GLU A 69 1.452 7.248 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.524 7.571 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.713 9.148 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.026 9.247 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.258 10.549 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.285 9.478 -0.170 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.323 6.246 -3.598 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.370 5.510 -4.303 1.00 0.00 C ATOM 1094 C ALA A 70 -2.720 4.220 -3.562 1.00 0.00 C ATOM 1095 O ALA A 70 -3.701 3.551 -3.879 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.929 5.206 -5.729 1.00 0.00 C ATOM 0 H ALA A 70 -0.407 6.202 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.265 6.132 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.717 4.657 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.733 6.140 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.021 4.603 -5.708 1.00 0.00 H new ATOM 1102 N ILE A 71 -1.912 3.893 -2.568 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.134 2.719 -1.740 1.00 0.00 C ATOM 1104 C ILE A 71 -2.914 3.142 -0.507 1.00 0.00 C ATOM 1105 O ILE A 71 -3.837 2.457 -0.058 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.792 2.040 -1.351 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.504 0.880 -2.300 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -0.790 1.543 0.087 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.901 0.890 -2.850 1.00 0.00 C ATOM 0 H ILE A 71 -1.085 4.432 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.707 1.980 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.010 2.794 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.674 -0.060 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.211 0.914 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.170 1.077 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.950 2.383 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.588 0.813 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.037 0.038 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.069 1.814 -3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.614 0.825 -2.028 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.560 4.313 0.004 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.278 4.918 1.110 1.00 0.00 C ATOM 1123 C LEU A 72 -4.688 5.275 0.664 1.00 0.00 C ATOM 1124 O LEU A 72 -5.632 5.236 1.453 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.546 6.177 1.584 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.695 6.024 2.852 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -2.495 6.418 4.084 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -1.165 4.603 2.993 1.00 0.00 C ATOM 0 H LEU A 72 -1.772 4.865 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.329 4.209 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.900 6.523 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.285 6.959 1.759 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.840 6.694 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.875 6.303 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.812 7.457 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.372 5.777 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.566 4.526 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.002 3.907 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.547 4.358 2.129 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.815 5.596 -0.622 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.101 5.969 -1.202 1.00 0.00 C ATOM 1142 C ALA A 73 -7.085 4.807 -1.137 1.00 0.00 C ATOM 1143 O ALA A 73 -8.276 4.999 -0.898 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.921 6.431 -2.640 1.00 0.00 C ATOM 0 H ALA A 73 -4.039 5.605 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.510 6.794 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.890 6.705 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.257 7.295 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.487 5.624 -3.230 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.575 3.600 -1.342 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.392 2.397 -1.264 1.00 0.00 C ATOM 1152 C ILE A 74 -7.894 2.186 0.162 1.00 0.00 C ATOM 1153 O ILE A 74 -9.061 1.858 0.388 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.595 1.152 -1.718 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.166 1.301 -3.176 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.416 -0.114 -1.533 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -4.925 0.507 -3.523 1.00 0.00 C ATOM 0 H ILE A 74 -5.595 3.428 -1.565 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.243 2.530 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.703 1.072 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.984 0.982 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.985 2.355 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.834 -0.976 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.676 -0.229 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.328 -0.046 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.678 0.659 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.094 0.841 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.109 -0.552 -3.343 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.011 2.408 1.124 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.342 2.210 2.529 1.00 0.00 C ATOM 1171 C HIS A 75 -8.261 3.312 3.031 1.00 0.00 C ATOM 1172 O HIS A 75 -8.880 3.174 4.075 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.046 2.098 3.366 1.00 0.00 C ATOM 1174 CG HIS A 75 -5.910 3.055 4.521 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.824 2.650 5.835 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.827 4.403 4.546 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.691 3.710 6.611 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.687 4.785 5.852 1.00 0.00 N ATOM 0 H HIS A 75 -6.056 2.726 0.957 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.889 1.274 2.639 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.977 1.082 3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.195 2.243 2.700 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -5.858 1.683 6.158 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.864 5.060 3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.601 3.697 7.687 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.348 4.399 2.289 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.235 5.488 2.657 1.00 0.00 C ATOM 1189 C LYS A 76 -10.673 4.992 2.680 1.00 0.00 C ATOM 1190 O LYS A 76 -11.397 5.190 3.652 1.00 0.00 O ATOM 1191 CB LYS A 76 -9.094 6.652 1.675 1.00 0.00 C ATOM 1192 CG LYS A 76 -9.469 7.997 2.265 1.00 0.00 C ATOM 1193 CD LYS A 76 -8.467 8.437 3.314 1.00 0.00 C ATOM 1194 CE LYS A 76 -9.140 8.698 4.651 1.00 0.00 C ATOM 1195 NZ LYS A 76 -9.778 10.041 4.701 1.00 0.00 N ATOM 0 H LYS A 76 -7.818 4.552 1.431 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.962 5.843 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.064 6.695 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.721 6.459 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.520 8.743 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.462 7.937 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.703 7.669 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.960 9.341 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.893 7.932 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.403 8.617 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.225 10.178 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.056 10.774 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.500 10.110 3.955 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.051 4.300 1.619 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.394 3.756 1.497 1.00 0.00 C ATOM 1211 C GLU A 77 -12.522 2.490 2.339 1.00 0.00 C ATOM 1212 O GLU A 77 -13.588 2.180 2.869 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.701 3.453 0.025 1.00 0.00 C ATOM 1214 CG GLU A 77 -14.186 3.347 -0.296 1.00 0.00 C ATOM 1215 CD GLU A 77 -14.978 4.556 0.158 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -14.747 5.667 -0.370 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -15.839 4.406 1.045 1.00 0.00 O ATOM 0 H GLU A 77 -10.443 4.100 0.825 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.113 4.490 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.262 4.235 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.214 2.518 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.311 3.220 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.592 2.454 0.180 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.410 1.785 2.485 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.394 0.509 3.187 1.00 0.00 C ATOM 1226 C ALA A 78 -11.191 0.674 4.693 1.00 0.00 C ATOM 1227 O ALA A 78 -11.129 -0.314 5.426 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.310 -0.385 2.609 1.00 0.00 C ATOM 0 H ALA A 78 -10.502 2.077 2.124 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.371 0.046 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.303 -1.338 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.508 -0.559 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.340 0.100 2.722 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.052 1.908 5.157 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.907 2.155 6.587 1.00 0.00 C ATOM 1236 C GLN A 79 -12.064 2.973 7.137 1.00 0.00 C ATOM 1237 O GLN A 79 -12.603 2.658 8.198 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.577 2.850 6.893 1.00 0.00 C ATOM 1239 CG GLN A 79 -8.894 2.325 8.140 1.00 0.00 C ATOM 1240 CD GLN A 79 -8.018 1.120 7.861 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -6.794 1.186 7.946 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.635 0.007 7.514 1.00 0.00 N ATOM 0 H GLN A 79 -11.036 2.745 4.574 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.916 1.184 7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.907 2.726 6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.753 3.920 7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.287 3.117 8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.650 2.057 8.878 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.653 -0.014 7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.094 -0.833 7.307 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.457 3.996 6.397 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.502 4.918 6.839 1.00 0.00 C ATOM 1253 C ARG A 80 -14.798 4.185 7.162 1.00 0.00 C ATOM 1254 O ARG A 80 -15.527 4.584 8.062 1.00 0.00 O ATOM 1255 CB ARG A 80 -13.760 5.986 5.772 1.00 0.00 C ATOM 1256 CG ARG A 80 -14.369 5.437 4.492 1.00 0.00 C ATOM 1257 CD ARG A 80 -15.591 6.229 4.065 1.00 0.00 C ATOM 1258 NE ARG A 80 -15.539 6.565 2.647 1.00 0.00 N ATOM 1259 CZ ARG A 80 -15.636 7.802 2.169 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -15.918 8.813 2.982 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -15.479 8.019 0.870 1.00 0.00 N ATOM 0 H ARG A 80 -12.068 4.214 5.480 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.149 5.399 7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.425 6.745 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.820 6.482 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.625 5.460 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.646 4.393 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.491 5.650 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.658 7.143 4.655 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.421 5.803 1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.061 8.642 3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.991 9.760 2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.285 7.239 0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.553 8.966 0.499 1.00 0.00 H new ATOM 1275 N ILE A 81 -15.063 3.100 6.438 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.280 2.322 6.636 1.00 0.00 C ATOM 1277 C ILE A 81 -16.339 1.753 8.051 1.00 0.00 C ATOM 1278 O ILE A 81 -17.409 1.651 8.648 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.387 1.165 5.617 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -15.127 0.296 5.643 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.615 1.707 4.218 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.273 -0.956 6.476 1.00 0.00 C ATOM 0 H ILE A 81 -14.449 2.740 5.708 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.119 3.001 6.484 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.239 0.547 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.868 0.015 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.297 0.886 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.688 0.878 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.540 2.283 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.781 2.350 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.342 -1.522 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.501 -0.683 7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.081 -1.567 6.075 1.00 0.00 H new ATOM 1294 N ALA A 82 -15.176 1.404 8.588 1.00 0.00 N ATOM 1295 CA ALA A 82 -15.092 0.827 9.918 1.00 0.00 C ATOM 1296 C ALA A 82 -15.141 1.924 10.961 1.00 0.00 C ATOM 1297 O ALA A 82 -15.659 1.734 12.059 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.813 0.017 10.066 1.00 0.00 C ATOM 0 H ALA A 82 -14.277 1.512 8.118 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.942 0.160 10.065 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.766 -0.408 11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.804 -0.787 9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.951 0.665 9.906 1.00 0.00 H new ATOM 1304 N GLU A 83 -14.627 3.086 10.581 1.00 0.00 N ATOM 1305 CA GLU A 83 -14.536 4.224 11.481 1.00 0.00 C ATOM 1306 C GLU A 83 -15.901 4.888 11.680 1.00 0.00 C ATOM 1307 O GLU A 83 -16.088 5.662 12.618 1.00 0.00 O ATOM 1308 CB GLU A 83 -13.523 5.231 10.938 1.00 0.00 C ATOM 1309 CG GLU A 83 -12.155 4.619 10.655 1.00 0.00 C ATOM 1310 CD GLU A 83 -11.223 5.573 9.940 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -11.475 6.797 9.968 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -10.225 5.107 9.360 1.00 0.00 O ATOM 0 H GLU A 83 -14.264 3.264 9.645 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.200 3.867 12.454 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.914 5.670 10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.408 6.043 11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.699 4.309 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.282 3.721 10.051 1.00 0.00 H new ATOM 1479 N TYR A 95 -5.205 -9.054 4.102 1.00 0.00 N ATOM 1480 CA TYR A 95 -4.581 -9.831 3.041 1.00 0.00 C ATOM 1481 C TYR A 95 -3.075 -9.605 3.034 1.00 0.00 C ATOM 1482 O TYR A 95 -2.293 -10.552 2.989 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.187 -9.463 1.681 1.00 0.00 C ATOM 1484 CG TYR A 95 -6.687 -9.692 1.586 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.314 -10.676 2.345 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.474 -8.929 0.732 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -8.678 -10.888 2.256 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -8.838 -9.137 0.638 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.436 -10.116 1.400 1.00 0.00 C ATOM 1490 OH TYR A 95 -10.797 -10.328 1.302 1.00 0.00 O ATOM 0 HA TYR A 95 -4.770 -10.888 3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.977 -8.414 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.692 -10.046 0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.725 -11.285 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.012 -8.160 0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.148 -11.655 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.433 -8.533 -0.031 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.165 -10.507 2.192 1.00 0.00 H new ATOM 1500 N THR A 96 -2.681 -8.345 3.094 1.00 0.00 N ATOM 1501 CA THR A 96 -1.276 -7.981 3.145 1.00 0.00 C ATOM 1502 C THR A 96 -1.019 -7.146 4.393 1.00 0.00 C ATOM 1503 O THR A 96 -1.732 -6.175 4.656 1.00 0.00 O ATOM 1504 CB THR A 96 -0.848 -7.215 1.869 1.00 0.00 C ATOM 1505 OG1 THR A 96 0.562 -6.971 1.881 1.00 0.00 O ATOM 1506 CG2 THR A 96 -1.599 -5.899 1.731 1.00 0.00 C ATOM 0 H THR A 96 -3.321 -7.551 3.109 1.00 0.00 H new ATOM 0 HA THR A 96 -0.676 -8.890 3.191 1.00 0.00 H new ATOM 0 HB THR A 96 -1.097 -7.840 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.817 -6.488 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.274 -5.388 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.670 -6.095 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.392 -5.270 2.597 1.00 0.00 H new ATOM 1514 N THR A 97 -0.035 -7.541 5.188 1.00 0.00 N ATOM 1515 CA THR A 97 0.219 -6.890 6.463 1.00 0.00 C ATOM 1516 C THR A 97 1.087 -5.644 6.297 1.00 0.00 C ATOM 1517 O THR A 97 2.264 -5.628 6.665 1.00 0.00 O ATOM 1518 CB THR A 97 0.871 -7.857 7.464 1.00 0.00 C ATOM 1519 OG1 THR A 97 0.188 -9.120 7.425 1.00 0.00 O ATOM 1520 CG2 THR A 97 0.815 -7.285 8.873 1.00 0.00 C ATOM 0 H THR A 97 0.600 -8.309 4.972 1.00 0.00 H new ATOM 0 HA THR A 97 -0.749 -6.581 6.859 1.00 0.00 H new ATOM 0 HB THR A 97 1.916 -7.997 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.605 -9.737 8.062 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.281 -7.983 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.348 -6.335 8.901 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.224 -7.127 9.160 1.00 0.00 H new ATOM 1528 N VAL A 98 0.495 -4.611 5.720 1.00 0.00 N ATOM 1529 CA VAL A 98 1.173 -3.345 5.524 1.00 0.00 C ATOM 1530 C VAL A 98 0.269 -2.177 5.918 1.00 0.00 C ATOM 1531 O VAL A 98 -0.387 -1.570 5.070 1.00 0.00 O ATOM 1532 CB VAL A 98 1.624 -3.178 4.061 1.00 0.00 C ATOM 1533 CG1 VAL A 98 2.958 -3.867 3.831 1.00 0.00 C ATOM 1534 CG2 VAL A 98 0.578 -3.728 3.109 1.00 0.00 C ATOM 0 H VAL A 98 -0.465 -4.628 5.376 1.00 0.00 H new ATOM 0 HA VAL A 98 2.055 -3.344 6.165 1.00 0.00 H new ATOM 0 HB VAL A 98 1.744 -2.113 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.260 -3.738 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.712 -3.428 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.861 -4.930 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.918 -3.599 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.424 -4.788 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.361 -3.192 3.251 1.00 0.00 H new ATOM 1544 N THR A 99 0.225 -1.867 7.206 1.00 0.00 N ATOM 1545 CA THR A 99 -0.546 -0.738 7.685 1.00 0.00 C ATOM 1546 C THR A 99 0.032 0.555 7.115 1.00 0.00 C ATOM 1547 O THR A 99 1.236 0.630 6.863 1.00 0.00 O ATOM 1548 CB THR A 99 -0.519 -0.709 9.223 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.003 -1.952 9.706 1.00 0.00 O ATOM 1550 CG2 THR A 99 -1.911 -0.493 9.793 1.00 0.00 C ATOM 0 H THR A 99 0.716 -2.384 7.935 1.00 0.00 H new ATOM 0 HA THR A 99 -1.581 -0.834 7.356 1.00 0.00 H new ATOM 0 HB THR A 99 0.114 0.119 9.542 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.122 -2.004 10.677 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.860 -0.477 10.882 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.308 0.457 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.565 -1.304 9.472 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.814 1.572 6.873 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.388 2.867 6.338 1.00 0.00 C ATOM 1560 C PRO A 100 0.874 3.393 7.016 1.00 0.00 C ATOM 1561 O PRO A 100 1.799 3.843 6.350 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.578 3.795 6.624 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.556 2.978 7.407 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.261 1.546 7.088 1.00 0.00 C ATOM 0 HA PRO A 100 -0.134 2.798 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.262 4.673 7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.024 4.155 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.453 3.167 8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.580 3.233 7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.540 0.881 7.905 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.799 1.206 6.203 1.00 0.00 H new ATOM 1572 N GLN A 101 0.913 3.301 8.342 1.00 0.00 N ATOM 1573 CA GLN A 101 2.071 3.747 9.110 1.00 0.00 C ATOM 1574 C GLN A 101 3.296 2.926 8.756 1.00 0.00 C ATOM 1575 O GLN A 101 4.374 3.463 8.530 1.00 0.00 O ATOM 1576 CB GLN A 101 1.795 3.613 10.604 1.00 0.00 C ATOM 1577 CG GLN A 101 1.573 4.946 11.298 1.00 0.00 C ATOM 1578 CD GLN A 101 2.866 5.718 11.494 1.00 0.00 C ATOM 1579 OE1 GLN A 101 3.566 5.540 12.492 1.00 0.00 O ATOM 1580 NE2 GLN A 101 3.192 6.580 10.543 1.00 0.00 N ATOM 0 H GLN A 101 0.154 2.921 8.908 1.00 0.00 H new ATOM 0 HA GLN A 101 2.257 4.792 8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.916 2.985 10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.633 3.101 11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.879 5.547 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.105 4.775 12.267 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.585 6.698 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.050 7.126 10.622 1.00 0.00 H new ATOM 1589 N ILE A 102 3.101 1.622 8.691 1.00 0.00 N ATOM 1590 CA ILE A 102 4.175 0.685 8.418 1.00 0.00 C ATOM 1591 C ILE A 102 4.796 0.949 7.045 1.00 0.00 C ATOM 1592 O ILE A 102 6.013 0.907 6.896 1.00 0.00 O ATOM 1593 CB ILE A 102 3.653 -0.772 8.528 1.00 0.00 C ATOM 1594 CG1 ILE A 102 3.984 -1.344 9.907 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.223 -1.676 7.438 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.011 -0.925 10.985 1.00 0.00 C ATOM 0 H ILE A 102 2.191 1.182 8.826 1.00 0.00 H new ATOM 0 HA ILE A 102 4.958 0.826 9.163 1.00 0.00 H new ATOM 0 HB ILE A 102 2.572 -0.740 8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.999 -2.432 9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.987 -1.027 10.191 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.828 -2.685 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.939 -1.289 6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.310 -1.701 7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.308 -1.368 11.936 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.013 0.161 11.074 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.009 -1.266 10.723 1.00 0.00 H new ATOM 1608 N ILE A 103 3.964 1.250 6.053 1.00 0.00 N ATOM 1609 CA ILE A 103 4.467 1.497 4.707 1.00 0.00 C ATOM 1610 C ILE A 103 4.963 2.942 4.552 1.00 0.00 C ATOM 1611 O ILE A 103 5.921 3.202 3.824 1.00 0.00 O ATOM 1612 CB ILE A 103 3.402 1.155 3.627 1.00 0.00 C ATOM 1613 CG1 ILE A 103 4.085 0.657 2.354 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.510 2.349 3.314 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.514 -0.639 1.816 1.00 0.00 C ATOM 0 H ILE A 103 2.952 1.328 6.153 1.00 0.00 H new ATOM 0 HA ILE A 103 5.318 0.833 4.553 1.00 0.00 H new ATOM 0 HB ILE A 103 2.766 0.366 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.003 1.425 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.148 0.519 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.780 2.069 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.990 2.662 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.121 3.172 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.052 -0.926 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.621 -1.423 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.458 -0.502 1.582 1.00 0.00 H new ATOM 1627 N ASN A 104 4.334 3.872 5.261 1.00 0.00 N ATOM 1628 CA ASN A 104 4.719 5.280 5.193 1.00 0.00 C ATOM 1629 C ASN A 104 6.036 5.507 5.923 1.00 0.00 C ATOM 1630 O ASN A 104 6.971 6.076 5.365 1.00 0.00 O ATOM 1631 CB ASN A 104 3.631 6.169 5.800 1.00 0.00 C ATOM 1632 CG ASN A 104 3.544 7.532 5.137 1.00 0.00 C ATOM 1633 OD1 ASN A 104 4.551 8.102 4.718 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.339 8.071 5.055 1.00 0.00 N ATOM 0 H ASN A 104 3.555 3.678 5.890 1.00 0.00 H new ATOM 0 HA ASN A 104 4.844 5.546 4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.668 5.666 5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.828 6.300 6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.220 8.992 4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.529 7.566 5.414 1.00 0.00 H new ATOM 1641 N SER A 105 6.112 5.042 7.165 1.00 0.00 N ATOM 1642 CA SER A 105 7.317 5.195 7.962 1.00 0.00 C ATOM 1643 C SER A 105 8.470 4.389 7.373 1.00 0.00 C ATOM 1644 O SER A 105 9.637 4.745 7.550 1.00 0.00 O ATOM 1645 CB SER A 105 7.055 4.781 9.409 1.00 0.00 C ATOM 1646 OG SER A 105 6.268 5.756 10.073 1.00 0.00 O ATOM 0 H SER A 105 5.351 4.556 7.639 1.00 0.00 H new ATOM 0 HA SER A 105 7.602 6.247 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.545 3.818 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.002 4.652 9.933 1.00 0.00 H new ATOM 0 HG SER A 105 6.109 5.473 10.998 1.00 0.00 H new ATOM 1652 N LYS A 106 8.145 3.308 6.666 1.00 0.00 N ATOM 1653 CA LYS A 106 9.157 2.538 5.955 1.00 0.00 C ATOM 1654 C LYS A 106 9.742 3.378 4.831 1.00 0.00 C ATOM 1655 O LYS A 106 10.959 3.465 4.678 1.00 0.00 O ATOM 1656 CB LYS A 106 8.570 1.246 5.388 1.00 0.00 C ATOM 1657 CG LYS A 106 9.245 -0.014 5.911 1.00 0.00 C ATOM 1658 CD LYS A 106 9.430 -1.044 4.807 1.00 0.00 C ATOM 1659 CE LYS A 106 8.487 -2.223 4.980 1.00 0.00 C ATOM 1660 NZ LYS A 106 9.208 -3.448 5.406 1.00 0.00 N ATOM 0 H LYS A 106 7.195 2.949 6.572 1.00 0.00 H new ATOM 0 HA LYS A 106 9.944 2.271 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.507 1.204 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.651 1.267 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.215 0.242 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.646 -0.443 6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.255 -0.576 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.461 -1.398 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.726 -1.974 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.969 -2.415 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.528 -4.226 5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.906 -3.710 4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.696 -3.268 6.307 1.00 0.00 H new ATOM 1674 N TRP A 107 8.861 4.014 4.065 1.00 0.00 N ATOM 1675 CA TRP A 107 9.284 4.925 3.012 1.00 0.00 C ATOM 1676 C TRP A 107 10.096 6.069 3.608 1.00 0.00 C ATOM 1677 O TRP A 107 11.127 6.459 3.067 1.00 0.00 O ATOM 1678 CB TRP A 107 8.068 5.479 2.258 1.00 0.00 C ATOM 1679 CG TRP A 107 8.430 6.445 1.166 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.548 7.803 1.262 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.720 6.116 -0.190 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.905 8.331 0.048 1.00 0.00 N ATOM 1683 CE2 TRP A 107 9.015 7.316 -0.860 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.760 4.921 -0.902 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.351 7.352 -2.210 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 9.091 4.960 -2.244 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.385 6.166 -2.883 1.00 0.00 C ATOM 0 H TRP A 107 7.850 3.914 4.155 1.00 0.00 H new ATOM 0 HA TRP A 107 9.907 4.375 2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.508 4.649 1.827 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.406 5.976 2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.384 8.376 2.162 1.00 0.00 H new ATOM 0 HE1 TRP A 107 9.063 9.320 -0.146 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.537 3.982 -0.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.576 8.284 -2.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 9.123 4.040 -2.809 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.645 6.160 -3.931 1.00 0.00 H new ATOM 1698 N GLU A 108 9.627 6.582 4.740 1.00 0.00 N ATOM 1699 CA GLU A 108 10.280 7.681 5.419 1.00 0.00 C ATOM 1700 C GLU A 108 11.684 7.286 5.864 1.00 0.00 C ATOM 1701 O GLU A 108 12.617 8.084 5.787 1.00 0.00 O ATOM 1702 CB GLU A 108 9.437 8.101 6.620 1.00 0.00 C ATOM 1703 CG GLU A 108 8.233 8.947 6.248 1.00 0.00 C ATOM 1704 CD GLU A 108 8.302 10.346 6.814 1.00 0.00 C ATOM 1705 OE1 GLU A 108 9.405 10.937 6.822 1.00 0.00 O ATOM 1706 OE2 GLU A 108 7.251 10.865 7.249 1.00 0.00 O ATOM 0 H GLU A 108 8.785 6.245 5.207 1.00 0.00 H new ATOM 0 HA GLU A 108 10.373 8.521 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.096 7.208 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.063 8.660 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.156 9.003 5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.327 8.459 6.607 1.00 0.00 H new ATOM 1713 N LYS A 109 11.826 6.047 6.320 1.00 0.00 N ATOM 1714 CA LYS A 109 13.129 5.518 6.705 1.00 0.00 C ATOM 1715 C LYS A 109 14.009 5.362 5.477 1.00 0.00 C ATOM 1716 O LYS A 109 15.204 5.648 5.516 1.00 0.00 O ATOM 1717 CB LYS A 109 12.978 4.173 7.416 1.00 0.00 C ATOM 1718 CG LYS A 109 12.812 4.303 8.916 1.00 0.00 C ATOM 1719 CD LYS A 109 12.926 2.956 9.612 1.00 0.00 C ATOM 1720 CE LYS A 109 13.815 3.041 10.842 1.00 0.00 C ATOM 1721 NZ LYS A 109 14.165 1.696 11.367 1.00 0.00 N ATOM 0 H LYS A 109 11.054 5.389 6.432 1.00 0.00 H new ATOM 0 HA LYS A 109 13.597 6.221 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.115 3.648 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.854 3.559 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.570 4.981 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.841 4.747 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.934 2.609 9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.331 2.219 8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 109 14.728 3.582 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.307 3.613 11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.772 1.798 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.296 1.188 11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.673 1.159 10.635 1.00 0.00 H new ATOM 1735 N VAL A 110 13.410 4.913 4.384 1.00 0.00 N ATOM 1736 CA VAL A 110 14.114 4.791 3.118 1.00 0.00 C ATOM 1737 C VAL A 110 14.682 6.146 2.692 1.00 0.00 C ATOM 1738 O VAL A 110 15.858 6.252 2.355 1.00 0.00 O ATOM 1739 CB VAL A 110 13.189 4.233 2.007 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.783 4.457 0.623 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.922 2.754 2.233 1.00 0.00 C ATOM 0 H VAL A 110 12.432 4.626 4.350 1.00 0.00 H new ATOM 0 HA VAL A 110 14.934 4.087 3.262 1.00 0.00 H new ATOM 0 HB VAL A 110 12.245 4.775 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.108 4.054 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.919 5.525 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.747 3.953 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.271 2.377 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.865 2.207 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.438 2.615 3.200 1.00 0.00 H new ATOM 1751 N GLN A 111 13.847 7.182 2.760 1.00 0.00 N ATOM 1752 CA GLN A 111 14.234 8.532 2.335 1.00 0.00 C ATOM 1753 C GLN A 111 15.464 9.038 3.079 1.00 0.00 C ATOM 1754 O GLN A 111 16.270 9.777 2.517 1.00 0.00 O ATOM 1755 CB GLN A 111 13.084 9.513 2.554 1.00 0.00 C ATOM 1756 CG GLN A 111 11.822 9.129 1.820 1.00 0.00 C ATOM 1757 CD GLN A 111 11.663 9.862 0.504 1.00 0.00 C ATOM 1758 OE1 GLN A 111 11.273 11.029 0.474 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.952 9.184 -0.592 1.00 0.00 N ATOM 0 H GLN A 111 12.891 7.114 3.108 1.00 0.00 H new ATOM 0 HA GLN A 111 14.475 8.470 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.870 9.578 3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.396 10.506 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.828 8.055 1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.960 9.338 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.272 8.218 -0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.855 9.626 -1.506 1.00 0.00 H new ATOM 1768 N GLN A 112 15.599 8.647 4.337 1.00 0.00 N ATOM 1769 CA GLN A 112 16.728 9.090 5.155 1.00 0.00 C ATOM 1770 C GLN A 112 17.981 8.258 4.869 1.00 0.00 C ATOM 1771 O GLN A 112 19.101 8.686 5.155 1.00 0.00 O ATOM 1772 CB GLN A 112 16.379 9.029 6.649 1.00 0.00 C ATOM 1773 CG GLN A 112 16.589 7.663 7.287 1.00 0.00 C ATOM 1774 CD GLN A 112 17.685 7.656 8.336 1.00 0.00 C ATOM 1775 OE1 GLN A 112 17.437 7.354 9.501 1.00 0.00 O ATOM 1776 NE2 GLN A 112 18.906 7.979 7.934 1.00 0.00 N ATOM 0 H GLN A 112 14.946 8.027 4.816 1.00 0.00 H new ATOM 0 HA GLN A 112 16.939 10.126 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.984 9.762 7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.337 9.321 6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.655 7.335 7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 112 16.834 6.940 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 112 19.073 8.224 6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 112 19.678 7.982 8.600 1.00 0.00 H new ATOM 1785 N LEU A 113 17.789 7.072 4.310 1.00 0.00 N ATOM 1786 CA LEU A 113 18.902 6.174 4.036 1.00 0.00 C ATOM 1787 C LEU A 113 19.483 6.434 2.650 1.00 0.00 C ATOM 1788 O LEU A 113 20.659 6.161 2.400 1.00 0.00 O ATOM 1789 CB LEU A 113 18.449 4.717 4.148 1.00 0.00 C ATOM 1790 CG LEU A 113 18.332 4.180 5.574 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.318 3.048 5.631 1.00 0.00 C ATOM 1792 CD2 LEU A 113 19.687 3.711 6.084 1.00 0.00 C ATOM 0 H LEU A 113 16.875 6.710 4.038 1.00 0.00 H new ATOM 0 HA LEU A 113 19.679 6.363 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.481 4.616 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.152 4.091 3.598 1.00 0.00 H new ATOM 0 HG LEU A 113 17.986 4.987 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.245 2.676 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.344 3.416 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.637 2.240 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 113 19.582 3.332 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.064 2.918 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 113 20.387 4.547 6.078 1.00 0.00 H new ATOM 1804 N VAL A 114 18.653 6.963 1.753 1.00 0.00 N ATOM 1805 CA VAL A 114 19.079 7.245 0.384 1.00 0.00 C ATOM 1806 C VAL A 114 20.315 8.152 0.337 1.00 0.00 C ATOM 1807 O VAL A 114 21.334 7.751 -0.224 1.00 0.00 O ATOM 1808 CB VAL A 114 17.959 7.875 -0.478 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.398 7.961 -1.925 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.671 7.083 -0.371 1.00 0.00 C ATOM 0 H VAL A 114 17.682 7.205 1.950 1.00 0.00 H new ATOM 0 HA VAL A 114 19.332 6.272 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 114 17.770 8.880 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.601 8.406 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.293 8.578 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.616 6.961 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 114 15.904 7.551 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 114 16.841 6.063 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.340 7.065 0.667 1.00 0.00 H new ATOM 1820 N PRO A 115 20.260 9.370 0.936 1.00 0.00 N ATOM 1821 CA PRO A 115 21.370 10.333 0.882 1.00 0.00 C ATOM 1822 C PRO A 115 22.656 9.785 1.487 1.00 0.00 C ATOM 1823 O PRO A 115 23.751 10.128 1.047 1.00 0.00 O ATOM 1824 CB PRO A 115 20.868 11.528 1.701 1.00 0.00 C ATOM 1825 CG PRO A 115 19.389 11.382 1.723 1.00 0.00 C ATOM 1826 CD PRO A 115 19.126 9.907 1.706 1.00 0.00 C ATOM 0 HA PRO A 115 21.623 10.583 -0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.281 11.517 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.165 12.472 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 115 18.963 11.845 2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 115 18.935 11.871 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.092 9.493 2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.172 9.674 1.233 1.00 0.00 H new ATOM 1834 N LYS A 116 22.523 8.930 2.493 1.00 0.00 N ATOM 1835 CA LYS A 116 23.683 8.313 3.124 1.00 0.00 C ATOM 1836 C LYS A 116 24.465 7.501 2.099 1.00 0.00 C ATOM 1837 O LYS A 116 25.672 7.679 1.930 1.00 0.00 O ATOM 1838 CB LYS A 116 23.243 7.413 4.280 1.00 0.00 C ATOM 1839 CG LYS A 116 23.179 8.125 5.621 1.00 0.00 C ATOM 1840 CD LYS A 116 23.808 7.290 6.726 1.00 0.00 C ATOM 1841 CE LYS A 116 23.832 8.040 8.048 1.00 0.00 C ATOM 1842 NZ LYS A 116 25.214 8.424 8.444 1.00 0.00 N ATOM 0 H LYS A 116 21.626 8.648 2.889 1.00 0.00 H new ATOM 0 HA LYS A 116 24.326 9.100 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.261 6.998 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 116 23.933 6.573 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 116 23.693 9.083 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.140 8.339 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.250 6.361 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 116 24.825 7.017 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.215 8.935 7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.391 7.417 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 25.187 8.933 9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 25.797 7.568 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 25.626 9.039 7.714 1.00 0.00 H new ATOM 1856 N ARG A 117 23.757 6.634 1.391 1.00 0.00 N ATOM 1857 CA ARG A 117 24.369 5.787 0.378 1.00 0.00 C ATOM 1858 C ARG A 117 24.689 6.590 -0.876 1.00 0.00 C ATOM 1859 O ARG A 117 25.686 6.336 -1.548 1.00 0.00 O ATOM 1860 CB ARG A 117 23.444 4.608 0.057 1.00 0.00 C ATOM 1861 CG ARG A 117 23.962 3.702 -1.047 1.00 0.00 C ATOM 1862 CD ARG A 117 24.978 2.696 -0.527 1.00 0.00 C ATOM 1863 NE ARG A 117 25.533 1.883 -1.610 1.00 0.00 N ATOM 1864 CZ ARG A 117 25.013 0.721 -2.005 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.988 0.194 -1.356 1.00 0.00 N ATOM 1866 NH2 ARG A 117 25.540 0.067 -3.032 1.00 0.00 N ATOM 0 H ARG A 117 22.752 6.498 1.500 1.00 0.00 H new ATOM 0 HA ARG A 117 25.309 5.395 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 117 23.299 4.016 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.466 4.994 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 117 23.126 3.171 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.419 4.308 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.784 3.223 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 117 24.504 2.047 0.210 1.00 0.00 H new ATOM 0 HE ARG A 117 26.365 2.225 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 117 23.592 0.677 -0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 117 23.593 -0.695 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 117 26.346 0.453 -3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 117 25.139 -0.822 -3.331 1.00 0.00 H new ATOM 1880 N ASP A 118 23.846 7.569 -1.168 1.00 0.00 N ATOM 1881 CA ASP A 118 24.037 8.444 -2.325 1.00 0.00 C ATOM 1882 C ASP A 118 25.345 9.208 -2.183 1.00 0.00 C ATOM 1883 O ASP A 118 26.047 9.462 -3.163 1.00 0.00 O ATOM 1884 CB ASP A 118 22.875 9.440 -2.412 1.00 0.00 C ATOM 1885 CG ASP A 118 22.050 9.317 -3.676 1.00 0.00 C ATOM 1886 OD1 ASP A 118 21.098 8.508 -3.686 1.00 0.00 O ATOM 1887 OD2 ASP A 118 22.309 10.060 -4.640 1.00 0.00 O ATOM 0 H ASP A 118 23.015 7.782 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 118 24.069 7.838 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.223 9.298 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 118 23.273 10.453 -2.347 1.00 0.00 H new ATOM 1892 N HIS A 119 25.684 9.538 -0.944 1.00 0.00 N ATOM 1893 CA HIS A 119 26.883 10.312 -0.659 1.00 0.00 C ATOM 1894 C HIS A 119 28.095 9.401 -0.611 1.00 0.00 C ATOM 1895 O HIS A 119 29.156 9.742 -1.125 1.00 0.00 O ATOM 1896 CB HIS A 119 26.736 11.063 0.667 1.00 0.00 C ATOM 1897 CG HIS A 119 27.539 12.325 0.736 1.00 0.00 C ATOM 1898 ND1 HIS A 119 26.985 13.581 0.597 1.00 0.00 N ATOM 1899 CD2 HIS A 119 28.863 12.524 0.934 1.00 0.00 C ATOM 1900 CE1 HIS A 119 27.934 14.494 0.704 1.00 0.00 C ATOM 1901 NE2 HIS A 119 29.080 13.876 0.911 1.00 0.00 N ATOM 0 H HIS A 119 25.143 9.280 -0.118 1.00 0.00 H new ATOM 0 HA HIS A 119 27.020 11.042 -1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 119 25.684 11.303 0.824 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.038 10.406 1.482 1.00 0.00 H new ATOM 0 HD2 HIS A 119 29.610 11.758 1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 119 27.795 15.563 0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 119 29.984 14.332 1.034 1.00 0.00 H new ATOM 1910 N ALA A 120 27.919 8.236 -0.001 1.00 0.00 N ATOM 1911 CA ALA A 120 28.992 7.257 0.105 1.00 0.00 C ATOM 1912 C ALA A 120 29.449 6.797 -1.275 1.00 0.00 C ATOM 1913 O ALA A 120 30.643 6.621 -1.517 1.00 0.00 O ATOM 1914 CB ALA A 120 28.540 6.069 0.940 1.00 0.00 C ATOM 0 H ALA A 120 27.041 7.946 0.429 1.00 0.00 H new ATOM 0 HA ALA A 120 29.840 7.731 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.351 5.345 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.268 6.409 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.676 5.601 0.469 1.00 0.00 H new ATOM 1920 N LEU A 121 28.490 6.617 -2.181 1.00 0.00 N ATOM 1921 CA LEU A 121 28.787 6.177 -3.538 1.00 0.00 C ATOM 1922 C LEU A 121 29.544 7.251 -4.303 1.00 0.00 C ATOM 1923 O LEU A 121 30.587 6.981 -4.901 1.00 0.00 O ATOM 1924 CB LEU A 121 27.501 5.825 -4.281 1.00 0.00 C ATOM 1925 CG LEU A 121 26.814 4.545 -3.813 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.358 4.545 -4.231 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.530 3.323 -4.361 1.00 0.00 C ATOM 0 H LEU A 121 27.499 6.770 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 121 29.414 5.288 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 121 26.801 6.654 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 121 27.727 5.730 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 121 26.860 4.506 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.882 3.626 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 121 24.852 5.402 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.291 4.607 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 121 27.025 2.421 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.517 3.352 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.562 3.318 -4.010 1.00 0.00 H new ATOM 1939 N LEU A 122 29.026 8.475 -4.262 1.00 0.00 N ATOM 1940 CA LEU A 122 29.656 9.601 -4.952 1.00 0.00 C ATOM 1941 C LEU A 122 30.894 10.092 -4.207 1.00 0.00 C ATOM 1942 O LEU A 122 31.415 11.170 -4.494 1.00 0.00 O ATOM 1943 CB LEU A 122 28.653 10.745 -5.125 1.00 0.00 C ATOM 1944 CG LEU A 122 28.169 10.985 -6.558 1.00 0.00 C ATOM 1945 CD1 LEU A 122 29.334 11.349 -7.463 1.00 0.00 C ATOM 1946 CD2 LEU A 122 27.441 9.759 -7.090 1.00 0.00 C ATOM 0 H LEU A 122 28.172 8.715 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 122 29.974 9.254 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 122 27.786 10.543 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 122 29.108 11.664 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 122 27.470 11.821 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 122 28.969 11.515 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 122 29.810 12.258 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 122 30.059 10.535 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 122 27.105 9.949 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 122 28.117 8.904 -7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 122 26.579 9.545 -6.458 1.00 0.00 H new ATOM 1958 N GLU A 123 31.335 9.312 -3.239 1.00 0.00 N ATOM 1959 CA GLU A 123 32.616 9.536 -2.599 1.00 0.00 C ATOM 1960 C GLU A 123 33.557 8.385 -2.939 1.00 0.00 C ATOM 1961 O GLU A 123 34.733 8.590 -3.225 1.00 0.00 O ATOM 1962 CB GLU A 123 32.452 9.655 -1.085 1.00 0.00 C ATOM 1963 CG GLU A 123 32.369 11.091 -0.593 1.00 0.00 C ATOM 1964 CD GLU A 123 33.734 11.716 -0.386 1.00 0.00 C ATOM 1965 OE1 GLU A 123 34.554 11.142 0.362 1.00 0.00 O ATOM 1966 OE2 GLU A 123 33.994 12.789 -0.968 1.00 0.00 O ATOM 0 H GLU A 123 30.819 8.510 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 123 33.037 10.472 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 123 31.550 9.123 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 123 33.292 9.160 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 123 31.807 11.686 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 123 31.815 11.118 0.345 1.00 0.00 H new ATOM 1973 N GLU A 124 33.015 7.173 -2.940 1.00 0.00 N ATOM 1974 CA GLU A 124 33.800 5.983 -3.209 1.00 0.00 C ATOM 1975 C GLU A 124 34.202 5.909 -4.676 1.00 0.00 C ATOM 1976 O GLU A 124 35.295 5.444 -4.999 1.00 0.00 O ATOM 1977 CB GLU A 124 33.008 4.738 -2.814 1.00 0.00 C ATOM 1978 CG GLU A 124 33.308 4.228 -1.411 1.00 0.00 C ATOM 1979 CD GLU A 124 34.731 4.506 -0.962 1.00 0.00 C ATOM 1980 OE1 GLU A 124 35.663 3.871 -1.495 1.00 0.00 O ATOM 1981 OE2 GLU A 124 34.921 5.354 -0.064 1.00 0.00 O ATOM 0 H GLU A 124 32.028 6.992 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 124 34.712 6.033 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 124 31.943 4.959 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 124 33.219 3.944 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 124 32.616 4.691 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 124 33.127 3.154 -1.376 1.00 0.00 H new ATOM 1988 N GLN A 125 33.325 6.368 -5.564 1.00 0.00 N ATOM 1989 CA GLN A 125 33.632 6.373 -6.989 1.00 0.00 C ATOM 1990 C GLN A 125 34.721 7.392 -7.290 1.00 0.00 C ATOM 1991 O GLN A 125 35.525 7.208 -8.203 1.00 0.00 O ATOM 1992 CB GLN A 125 32.379 6.658 -7.824 1.00 0.00 C ATOM 1993 CG GLN A 125 31.951 8.121 -7.847 1.00 0.00 C ATOM 1994 CD GLN A 125 31.657 8.618 -9.251 1.00 0.00 C ATOM 1995 OE1 GLN A 125 32.071 9.711 -9.635 1.00 0.00 O ATOM 1996 NE2 GLN A 125 30.934 7.823 -10.028 1.00 0.00 N ATOM 0 H GLN A 125 32.405 6.738 -5.325 1.00 0.00 H new ATOM 0 HA GLN A 125 33.995 5.382 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.558 6.329 -8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.556 6.058 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.063 8.246 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 125 32.737 8.733 -7.405 1.00 0.00 H new ATOM 0 HE21 GLN A 125 30.608 6.923 -9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 125 30.704 8.111 -10.979 1.00 0.00 H new ATOM 2005 N SER A 126 34.754 8.457 -6.503 1.00 0.00 N ATOM 2006 CA SER A 126 35.769 9.481 -6.652 1.00 0.00 C ATOM 2007 C SER A 126 37.091 9.003 -6.067 1.00 0.00 C ATOM 2008 O SER A 126 38.167 9.396 -6.513 1.00 0.00 O ATOM 2009 CB SER A 126 35.304 10.750 -5.954 1.00 0.00 C ATOM 2010 OG SER A 126 33.931 10.656 -5.622 1.00 0.00 O ATOM 0 H SER A 126 34.085 8.632 -5.753 1.00 0.00 H new ATOM 0 HA SER A 126 35.923 9.689 -7.711 1.00 0.00 H new ATOM 0 HB2 SER A 126 35.893 10.913 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 126 35.470 11.611 -6.602 1.00 0.00 H new ATOM 0 HG SER A 126 33.694 11.378 -5.003 1.00 0.00 H new ATOM 2016 N LYS A 127 36.995 8.128 -5.074 1.00 0.00 N ATOM 2017 CA LYS A 127 38.169 7.550 -4.441 1.00 0.00 C ATOM 2018 C LYS A 127 38.633 6.318 -5.215 1.00 0.00 C ATOM 2019 O LYS A 127 39.532 5.594 -4.780 1.00 0.00 O ATOM 2020 CB LYS A 127 37.850 7.180 -2.992 1.00 0.00 C ATOM 2021 CG LYS A 127 38.447 8.130 -1.963 1.00 0.00 C ATOM 2022 CD LYS A 127 38.303 9.590 -2.373 1.00 0.00 C ATOM 2023 CE LYS A 127 36.950 10.160 -1.966 1.00 0.00 C ATOM 2024 NZ LYS A 127 37.044 11.019 -0.757 1.00 0.00 N ATOM 0 H LYS A 127 36.108 7.802 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 127 38.974 8.285 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 127 36.768 7.156 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 127 38.216 6.172 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 127 37.958 7.975 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 127 39.503 7.896 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 127 39.098 10.177 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 127 38.425 9.678 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 127 36.539 10.741 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 127 36.255 9.342 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 36.145 10.985 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 37.812 10.675 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 37.241 11.999 -1.042 1.00 0.00 H new ATOM 2038 N GLN A 128 38.009 6.085 -6.358 1.00 0.00 N ATOM 2039 CA GLN A 128 38.368 4.971 -7.219 1.00 0.00 C ATOM 2040 C GLN A 128 39.337 5.434 -8.303 1.00 0.00 C ATOM 2041 O GLN A 128 40.302 6.148 -8.020 1.00 0.00 O ATOM 2042 CB GLN A 128 37.114 4.357 -7.847 1.00 0.00 C ATOM 2043 CG GLN A 128 36.522 3.223 -7.031 1.00 0.00 C ATOM 2044 CD GLN A 128 36.542 1.901 -7.768 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.329 1.702 -8.694 1.00 0.00 O ATOM 2046 NE2 GLN A 128 35.677 0.983 -7.362 1.00 0.00 N ATOM 0 H GLN A 128 37.244 6.659 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 128 38.860 4.207 -6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.361 5.136 -7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.359 3.988 -8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 128 37.078 3.123 -6.099 1.00 0.00 H new ATOM 0 HG3 GLN A 128 35.494 3.470 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 128 35.041 1.187 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 128 35.647 0.072 -7.821 1.00 0.00 H new ATOM 2055 N GLN A 129 39.073 5.034 -9.535 1.00 0.00 N ATOM 2056 CA GLN A 129 39.939 5.372 -10.652 1.00 0.00 C ATOM 2057 C GLN A 129 39.109 5.790 -11.862 1.00 0.00 C ATOM 2058 O GLN A 129 39.492 5.448 -12.999 1.00 0.00 O ATOM 2059 CB GLN A 129 40.834 4.180 -10.999 1.00 0.00 C ATOM 2060 CG GLN A 129 40.074 2.879 -11.215 1.00 0.00 C ATOM 2061 CD GLN A 129 40.524 2.146 -12.460 1.00 0.00 C ATOM 2062 OE1 GLN A 129 40.784 0.940 -12.433 1.00 0.00 O ATOM 2063 NE2 GLN A 129 40.610 2.862 -13.566 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.071 6.456 -11.665 1.00 0.00 O ATOM 0 H GLN A 129 38.261 4.471 -9.788 1.00 0.00 H new ATOM 0 HA GLN A 129 40.572 6.212 -10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 129 41.399 4.413 -11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 129 41.559 4.037 -10.197 1.00 0.00 H new ATOM 0 HG2 GLN A 129 40.211 2.233 -10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 129 39.008 3.093 -11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 129 40.387 3.857 -13.548 1.00 0.00 H new ATOM 0 HE22 GLN A 129 40.900 2.420 -14.438 1.00 0.00 H new