USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 568 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 55 ASN : amide:sc= 0.0906 X(o=0.18,f=0.037) USER MOD Set 1.2: A 58 SER OG : rot 153:sc= 0.09 USER MOD Set 2.1: A 45 THR OG1 : rot 28:sc= 0.939 USER MOD Set 2.2: A 74 THR OG1 : rot -170:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0061 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 50:sc= -1.12 USER MOD Single : A 25 THR OG1 : rot 37:sc= 0.0421 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -111:sc= -1.01 (180deg=-6.21!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 57 ASN : amide:sc=-0.00586 X(o=-0.0059,f=-0.0059) USER MOD Single : A 59 SER OG : rot -74:sc= 2.38 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0425 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 131:sc= -1.18 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -140:sc= 0.534 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.144 K(o=-0.14,f=-2!) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0781) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.158 3.717 2.699 1.00 0.00 N ATOM 106 CA ALA A 11 3.816 3.266 2.354 1.00 0.00 C ATOM 107 C ALA A 11 2.912 4.445 2.009 1.00 0.00 C ATOM 108 O ALA A 11 1.694 4.372 2.163 1.00 0.00 O ATOM 109 CB ALA A 11 3.220 2.459 3.497 1.00 0.00 C ATOM 0 HA ALA A 11 3.890 2.628 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.217 2.129 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.847 1.590 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.167 3.079 4.392 1.00 0.00 H new ATOM 115 N GLY A 12 3.518 5.533 1.542 1.00 0.00 N ATOM 116 CA GLY A 12 2.753 6.713 1.184 1.00 0.00 C ATOM 117 C GLY A 12 1.923 7.238 2.339 1.00 0.00 C ATOM 118 O GLY A 12 1.680 6.541 3.324 1.00 0.00 O ATOM 0 H GLY A 12 4.525 5.618 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.433 7.494 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.096 6.476 0.347 1.00 0.00 H new ATOM 122 N PRO A 13 1.474 8.497 2.226 1.00 0.00 N ATOM 123 CA PRO A 13 0.661 9.143 3.260 1.00 0.00 C ATOM 124 C PRO A 13 -0.740 8.548 3.352 1.00 0.00 C ATOM 125 O PRO A 13 -1.104 7.669 2.571 1.00 0.00 O ATOM 126 CB PRO A 13 0.593 10.601 2.798 1.00 0.00 C ATOM 127 CG PRO A 13 0.794 10.541 1.324 1.00 0.00 C ATOM 128 CD PRO A 13 1.725 9.386 1.079 1.00 0.00 C ATOM 0 HA PRO A 13 1.090 9.016 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.368 11.051 3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.363 11.205 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.154 10.394 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.220 11.472 0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.510 8.891 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.765 9.709 1.041 1.00 0.00 H new ATOM 136 N ASP A 14 -1.522 9.032 4.310 1.00 0.00 N ATOM 137 CA ASP A 14 -2.884 8.549 4.503 1.00 0.00 C ATOM 138 C ASP A 14 -3.605 8.408 3.166 1.00 0.00 C ATOM 139 O ASP A 14 -3.481 9.262 2.288 1.00 0.00 O ATOM 140 CB ASP A 14 -3.660 9.498 5.417 1.00 0.00 C ATOM 141 CG ASP A 14 -4.119 10.751 4.697 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.262 11.442 4.106 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.333 11.041 4.724 1.00 0.00 O ATOM 0 H ASP A 14 -1.236 9.759 4.966 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.832 7.567 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.527 8.978 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.032 9.778 6.262 1.00 0.00 H new ATOM 148 N LYS A 15 -4.359 7.324 3.018 1.00 0.00 N ATOM 149 CA LYS A 15 -5.101 7.070 1.789 1.00 0.00 C ATOM 150 C LYS A 15 -6.602 7.214 2.019 1.00 0.00 C ATOM 151 O LYS A 15 -7.174 6.544 2.877 1.00 0.00 O ATOM 152 CB LYS A 15 -4.788 5.667 1.261 1.00 0.00 C ATOM 153 CG LYS A 15 -3.366 5.513 0.750 1.00 0.00 C ATOM 154 CD LYS A 15 -3.265 5.849 -0.728 1.00 0.00 C ATOM 155 CE LYS A 15 -1.834 6.172 -1.129 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.780 7.058 -2.325 1.00 0.00 N ATOM 0 H LYS A 15 -4.472 6.607 3.734 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.792 7.808 1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.960 4.942 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.483 5.428 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.702 6.164 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.028 4.490 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.629 5.009 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.908 6.700 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.324 6.655 -0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.298 5.246 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.788 7.255 -2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.245 6.587 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.270 7.952 -2.117 1.00 0.00 H new ATOM 170 N GLU A 16 -7.233 8.093 1.245 1.00 0.00 N ATOM 171 CA GLU A 16 -8.667 8.324 1.366 1.00 0.00 C ATOM 172 C GLU A 16 -9.368 8.103 0.029 1.00 0.00 C ATOM 173 O GLU A 16 -9.027 8.731 -0.975 1.00 0.00 O ATOM 174 CB GLU A 16 -8.937 9.744 1.868 1.00 0.00 C ATOM 175 CG GLU A 16 -10.392 9.996 2.228 1.00 0.00 C ATOM 176 CD GLU A 16 -11.204 10.502 1.052 1.00 0.00 C ATOM 177 OE1 GLU A 16 -10.880 11.592 0.533 1.00 0.00 O ATOM 178 OE2 GLU A 16 -12.163 9.811 0.650 1.00 0.00 O ATOM 0 H GLU A 16 -6.774 8.656 0.529 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.065 7.610 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.317 9.935 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.633 10.456 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.835 9.073 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.441 10.723 3.039 1.00 0.00 H new ATOM 185 N LEU A 17 -10.349 7.207 0.022 1.00 0.00 N ATOM 186 CA LEU A 17 -11.099 6.903 -1.192 1.00 0.00 C ATOM 187 C LEU A 17 -12.597 7.083 -0.966 1.00 0.00 C ATOM 188 O LEU A 17 -13.083 6.983 0.161 1.00 0.00 O ATOM 189 CB LEU A 17 -10.809 5.472 -1.648 1.00 0.00 C ATOM 190 CG LEU A 17 -9.348 5.027 -1.575 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.257 3.516 -1.426 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.587 5.490 -2.808 1.00 0.00 C ATOM 0 H LEU A 17 -10.644 6.678 0.843 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.782 7.598 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.406 4.791 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.150 5.364 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.892 5.486 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.210 3.218 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.766 3.209 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.730 3.037 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.549 5.164 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.043 5.060 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.623 6.578 -2.870 1.00 0.00 H new ATOM 204 N THR A 18 -13.325 7.349 -2.046 1.00 0.00 N ATOM 205 CA THR A 18 -14.767 7.543 -1.967 1.00 0.00 C ATOM 206 C THR A 18 -15.478 6.864 -3.133 1.00 0.00 C ATOM 207 O THR A 18 -15.193 7.147 -4.297 1.00 0.00 O ATOM 208 CB THR A 18 -15.134 9.039 -1.959 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.479 9.697 -0.869 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.639 9.227 -1.842 1.00 0.00 C ATOM 0 H THR A 18 -12.939 7.435 -2.986 1.00 0.00 H new ATOM 0 HA THR A 18 -15.095 7.091 -1.031 1.00 0.00 H new ATOM 0 HB THR A 18 -14.802 9.477 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.716 10.648 -0.871 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.874 10.291 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.132 8.750 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.991 8.775 -0.915 1.00 0.00 H new ATOM 218 N LEU A 19 -16.404 5.967 -2.813 1.00 0.00 N ATOM 219 CA LEU A 19 -17.157 5.248 -3.834 1.00 0.00 C ATOM 220 C LEU A 19 -17.635 6.197 -4.928 1.00 0.00 C ATOM 221 O LEU A 19 -17.782 7.401 -4.719 1.00 0.00 O ATOM 222 CB LEU A 19 -18.355 4.533 -3.205 1.00 0.00 C ATOM 223 CG LEU A 19 -18.047 3.228 -2.470 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.067 2.384 -3.269 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.497 3.515 -1.080 1.00 0.00 C ATOM 0 H LEU A 19 -16.651 5.720 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.495 4.508 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.834 5.217 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.080 4.322 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.975 2.666 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.860 1.459 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -17.499 2.148 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.139 2.938 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.284 2.575 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.580 4.098 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -18.233 4.078 -0.507 1.00 0.00 H new ATOM 237 N PRO A 20 -17.886 5.643 -6.124 1.00 0.00 N ATOM 238 CA PRO A 20 -17.714 4.211 -6.385 1.00 0.00 C ATOM 239 C PRO A 20 -16.246 3.795 -6.391 1.00 0.00 C ATOM 240 O PRO A 20 -15.928 2.608 -6.458 1.00 0.00 O ATOM 241 CB PRO A 20 -18.326 4.028 -7.776 1.00 0.00 C ATOM 242 CG PRO A 20 -18.209 5.366 -8.421 1.00 0.00 C ATOM 243 CD PRO A 20 -18.356 6.373 -7.314 1.00 0.00 C ATOM 0 HA PRO A 20 -18.181 3.598 -5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.794 3.266 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.366 3.709 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.247 5.475 -8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.981 5.503 -9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.758 7.265 -7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.390 6.700 -7.203 1.00 0.00 H new ATOM 251 N VAL A 21 -15.356 4.780 -6.319 1.00 0.00 N ATOM 252 CA VAL A 21 -13.923 4.515 -6.314 1.00 0.00 C ATOM 253 C VAL A 21 -13.573 3.400 -5.334 1.00 0.00 C ATOM 254 O VAL A 21 -13.412 3.639 -4.137 1.00 0.00 O ATOM 255 CB VAL A 21 -13.121 5.778 -5.945 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.627 5.501 -6.018 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.502 6.935 -6.855 1.00 0.00 C ATOM 0 H VAL A 21 -15.603 5.768 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.655 4.204 -7.324 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.365 6.057 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.076 6.404 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.370 4.703 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.362 5.197 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.926 7.819 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.288 6.670 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.566 7.147 -6.748 1.00 0.00 H new ATOM 267 N ASP A 22 -13.456 2.182 -5.851 1.00 0.00 N ATOM 268 CA ASP A 22 -13.124 1.029 -5.022 1.00 0.00 C ATOM 269 C ASP A 22 -11.777 0.438 -5.429 1.00 0.00 C ATOM 270 O ASP A 22 -11.577 -0.775 -5.368 1.00 0.00 O ATOM 271 CB ASP A 22 -14.216 -0.036 -5.131 1.00 0.00 C ATOM 272 CG ASP A 22 -15.301 0.139 -4.087 1.00 0.00 C ATOM 273 OD1 ASP A 22 -15.000 0.683 -3.004 1.00 0.00 O ATOM 274 OD2 ASP A 22 -16.452 -0.269 -4.352 1.00 0.00 O ATOM 0 H ASP A 22 -13.586 1.967 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.056 1.364 -3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.662 0.005 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.768 -1.024 -5.023 1.00 0.00 H new ATOM 279 N SER A 23 -10.859 1.303 -5.846 1.00 0.00 N ATOM 280 CA SER A 23 -9.533 0.866 -6.268 1.00 0.00 C ATOM 281 C SER A 23 -8.495 1.955 -6.012 1.00 0.00 C ATOM 282 O SER A 23 -8.716 3.126 -6.323 1.00 0.00 O ATOM 283 CB SER A 23 -9.543 0.494 -7.752 1.00 0.00 C ATOM 284 OG SER A 23 -9.693 1.645 -8.565 1.00 0.00 O ATOM 0 H SER A 23 -11.008 2.310 -5.901 1.00 0.00 H new ATOM 0 HA SER A 23 -9.264 -0.013 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.615 -0.018 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.357 -0.204 -7.950 1.00 0.00 H new ATOM 0 HG SER A 23 -9.695 1.381 -9.509 1.00 0.00 H new ATOM 290 N THR A 24 -7.361 1.561 -5.442 1.00 0.00 N ATOM 291 CA THR A 24 -6.288 2.501 -5.142 1.00 0.00 C ATOM 292 C THR A 24 -4.924 1.894 -5.445 1.00 0.00 C ATOM 293 O THR A 24 -4.816 0.709 -5.764 1.00 0.00 O ATOM 294 CB THR A 24 -6.325 2.944 -3.668 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.714 4.232 -3.527 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.606 1.937 -2.782 1.00 0.00 C ATOM 0 H THR A 24 -7.162 0.596 -5.178 1.00 0.00 H new ATOM 0 HA THR A 24 -6.444 3.372 -5.779 1.00 0.00 H new ATOM 0 HB THR A 24 -7.368 3.001 -3.355 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.093 4.848 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.645 2.271 -1.745 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.091 0.965 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.566 1.853 -3.097 1.00 0.00 H new ATOM 304 N THR A 25 -3.881 2.712 -5.343 1.00 0.00 N ATOM 305 CA THR A 25 -2.522 2.255 -5.606 1.00 0.00 C ATOM 306 C THR A 25 -1.571 2.691 -4.498 1.00 0.00 C ATOM 307 O THR A 25 -1.541 3.861 -4.116 1.00 0.00 O ATOM 308 CB THR A 25 -2.001 2.789 -6.954 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.235 4.199 -7.045 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.680 2.081 -8.116 1.00 0.00 C ATOM 0 H THR A 25 -3.952 3.695 -5.080 1.00 0.00 H new ATOM 0 HA THR A 25 -2.556 1.166 -5.643 1.00 0.00 H new ATOM 0 HB THR A 25 -0.930 2.594 -7.007 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.106 4.610 -6.165 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.296 2.475 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.476 1.012 -8.060 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.756 2.248 -8.065 1.00 0.00 H new ATOM 318 N LEU A 26 -0.795 1.743 -3.984 1.00 0.00 N ATOM 319 CA LEU A 26 0.159 2.029 -2.918 1.00 0.00 C ATOM 320 C LEU A 26 1.592 1.968 -3.439 1.00 0.00 C ATOM 321 O LEU A 26 2.246 0.928 -3.365 1.00 0.00 O ATOM 322 CB LEU A 26 -0.020 1.038 -1.767 1.00 0.00 C ATOM 323 CG LEU A 26 -1.416 0.974 -1.147 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.681 -0.408 -0.570 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.571 2.041 -0.073 1.00 0.00 C ATOM 0 H LEU A 26 -0.808 0.770 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.033 3.038 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.242 0.043 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.693 1.291 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.150 1.165 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.679 -0.435 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.612 -1.153 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.942 -0.629 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.570 1.981 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.829 1.881 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.425 3.026 -0.515 1.00 0.00 H new ATOM 337 N ASP A 27 2.073 3.089 -3.964 1.00 0.00 N ATOM 338 CA ASP A 27 3.429 3.165 -4.494 1.00 0.00 C ATOM 339 C ASP A 27 4.444 3.340 -3.368 1.00 0.00 C ATOM 340 O ASP A 27 4.327 4.250 -2.549 1.00 0.00 O ATOM 341 CB ASP A 27 3.548 4.322 -5.488 1.00 0.00 C ATOM 342 CG ASP A 27 3.808 5.649 -4.803 1.00 0.00 C ATOM 343 OD1 ASP A 27 2.947 6.087 -4.013 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.873 6.250 -5.058 1.00 0.00 O ATOM 0 H ASP A 27 1.544 3.958 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 27 3.643 2.229 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.357 4.114 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.630 4.391 -6.072 1.00 0.00 H new ATOM 349 N GLY A 28 5.439 2.459 -3.333 1.00 0.00 N ATOM 350 CA GLY A 28 6.459 2.533 -2.303 1.00 0.00 C ATOM 351 C GLY A 28 7.861 2.397 -2.864 1.00 0.00 C ATOM 352 O GLY A 28 8.756 1.878 -2.197 1.00 0.00 O ATOM 0 H GLY A 28 5.557 1.696 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.372 3.484 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.287 1.746 -1.569 1.00 0.00 H new ATOM 493 N ILE A 38 15.801 -4.314 -3.137 1.00 0.00 N ATOM 494 CA ILE A 38 15.637 -5.503 -3.964 1.00 0.00 C ATOM 495 C ILE A 38 14.516 -6.391 -3.434 1.00 0.00 C ATOM 496 O ILE A 38 14.464 -7.585 -3.728 1.00 0.00 O ATOM 497 CB ILE A 38 16.937 -6.324 -4.034 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.451 -6.628 -2.625 1.00 0.00 C ATOM 499 CG2 ILE A 38 17.992 -5.579 -4.839 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.625 -7.581 -2.602 1.00 0.00 C ATOM 0 HA ILE A 38 15.381 -5.157 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 38 16.726 -7.269 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.742 -5.694 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.639 -7.051 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.905 -6.173 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.625 -5.409 -5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.203 -4.621 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.936 -7.750 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.333 -8.529 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.454 -7.151 -3.165 1.00 0.00 H new ATOM 512 N SER A 39 13.620 -5.799 -2.651 1.00 0.00 N ATOM 513 CA SER A 39 12.500 -6.536 -2.077 1.00 0.00 C ATOM 514 C SER A 39 11.263 -5.649 -1.970 1.00 0.00 C ATOM 515 O SER A 39 11.349 -4.492 -1.557 1.00 0.00 O ATOM 516 CB SER A 39 12.873 -7.079 -0.696 1.00 0.00 C ATOM 517 OG SER A 39 12.126 -8.242 -0.386 1.00 0.00 O ATOM 0 H SER A 39 13.648 -4.811 -2.399 1.00 0.00 H new ATOM 0 HA SER A 39 12.270 -7.372 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.938 -7.309 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.692 -6.315 0.060 1.00 0.00 H new ATOM 0 HG SER A 39 12.384 -8.570 0.501 1.00 0.00 H new ATOM 523 N TYR A 40 10.114 -6.200 -2.345 1.00 0.00 N ATOM 524 CA TYR A 40 8.859 -5.459 -2.294 1.00 0.00 C ATOM 525 C TYR A 40 7.688 -6.392 -2.002 1.00 0.00 C ATOM 526 O TYR A 40 7.395 -7.302 -2.778 1.00 0.00 O ATOM 527 CB TYR A 40 8.623 -4.723 -3.614 1.00 0.00 C ATOM 528 CG TYR A 40 9.584 -3.580 -3.850 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.435 -2.372 -3.180 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.640 -3.707 -4.743 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.310 -1.324 -3.393 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.521 -2.665 -4.961 1.00 0.00 C ATOM 533 CZ TYR A 40 11.351 -1.476 -4.284 1.00 0.00 C ATOM 534 OH TYR A 40 12.226 -0.435 -4.499 1.00 0.00 O ATOM 0 H TYR A 40 10.026 -7.157 -2.687 1.00 0.00 H new ATOM 0 HA TYR A 40 8.929 -4.730 -1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.707 -5.433 -4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.603 -4.338 -3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.621 -2.250 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.775 -4.636 -5.276 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.179 -0.391 -2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.338 -2.781 -5.658 1.00 0.00 H new ATOM 0 HH TYR A 40 12.902 -0.706 -5.155 1.00 0.00 H new ATOM 544 N LEU A 41 7.020 -6.158 -0.877 1.00 0.00 N ATOM 545 CA LEU A 41 5.879 -6.976 -0.481 1.00 0.00 C ATOM 546 C LEU A 41 4.741 -6.106 0.043 1.00 0.00 C ATOM 547 O LEU A 41 4.975 -5.074 0.672 1.00 0.00 O ATOM 548 CB LEU A 41 6.297 -7.986 0.589 1.00 0.00 C ATOM 549 CG LEU A 41 5.327 -9.141 0.838 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.186 -9.999 -0.410 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.791 -9.984 2.017 1.00 0.00 C ATOM 0 H LEU A 41 7.249 -5.409 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 41 5.526 -7.513 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.263 -8.404 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.442 -7.451 1.528 1.00 0.00 H new ATOM 0 HG LEU A 41 4.350 -8.723 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.492 -10.816 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.806 -9.389 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.159 -10.408 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.088 -10.801 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.779 -10.392 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.838 -9.363 2.912 1.00 0.00 H new ATOM 563 N TRP A 42 3.510 -6.530 -0.220 1.00 0.00 N ATOM 564 CA TRP A 42 2.336 -5.790 0.227 1.00 0.00 C ATOM 565 C TRP A 42 1.266 -6.737 0.760 1.00 0.00 C ATOM 566 O TRP A 42 0.720 -7.552 0.016 1.00 0.00 O ATOM 567 CB TRP A 42 1.768 -4.953 -0.920 1.00 0.00 C ATOM 568 CG TRP A 42 2.573 -3.724 -1.214 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.592 -3.609 -2.116 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.428 -2.438 -0.603 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.089 -2.327 -2.102 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.391 -1.590 -1.183 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.577 -1.919 0.377 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.526 -0.254 -0.814 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.711 -0.594 0.742 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.679 0.227 0.148 1.00 0.00 C ATOM 0 H TRP A 42 3.299 -7.382 -0.740 1.00 0.00 H new ATOM 0 HA TRP A 42 2.642 -5.126 1.035 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.716 -5.568 -1.818 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.747 -4.660 -0.675 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.954 -4.407 -2.747 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.853 -1.981 -2.682 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.828 -2.543 0.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.272 0.380 -1.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.059 -0.183 1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.758 1.259 0.455 1.00 0.00 H new ATOM 587 N GLU A 43 0.972 -6.624 2.051 1.00 0.00 N ATOM 588 CA GLU A 43 -0.033 -7.472 2.682 1.00 0.00 C ATOM 589 C GLU A 43 -0.889 -6.669 3.657 1.00 0.00 C ATOM 590 O GLU A 43 -0.390 -5.792 4.363 1.00 0.00 O ATOM 591 CB GLU A 43 0.637 -8.637 3.415 1.00 0.00 C ATOM 592 CG GLU A 43 1.529 -9.484 2.523 1.00 0.00 C ATOM 593 CD GLU A 43 1.691 -10.901 3.038 1.00 0.00 C ATOM 594 OE1 GLU A 43 0.864 -11.763 2.671 1.00 0.00 O ATOM 595 OE2 GLU A 43 2.643 -11.149 3.807 1.00 0.00 O ATOM 0 H GLU A 43 1.415 -5.954 2.680 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.680 -7.868 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.231 -8.243 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.134 -9.272 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.109 -9.512 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.510 -9.015 2.446 1.00 0.00 H new ATOM 602 N LYS A 44 -2.182 -6.974 3.690 1.00 0.00 N ATOM 603 CA LYS A 44 -3.109 -6.282 4.578 1.00 0.00 C ATOM 604 C LYS A 44 -3.002 -6.819 6.002 1.00 0.00 C ATOM 605 O LYS A 44 -3.309 -7.983 6.262 1.00 0.00 O ATOM 606 CB LYS A 44 -4.544 -6.435 4.070 1.00 0.00 C ATOM 607 CG LYS A 44 -5.589 -5.884 5.024 1.00 0.00 C ATOM 608 CD LYS A 44 -6.932 -5.703 4.336 1.00 0.00 C ATOM 609 CE LYS A 44 -7.662 -7.029 4.181 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.662 -6.986 3.079 1.00 0.00 N ATOM 0 H LYS A 44 -2.612 -7.696 3.112 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.844 -5.225 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.637 -5.927 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.747 -7.491 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.702 -6.560 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.251 -4.927 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.548 -5.013 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.782 -5.252 3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.939 -7.821 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.163 -7.279 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.621 -7.027 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.549 -6.103 2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.516 -7.798 2.446 1.00 0.00 H new ATOM 624 N THR A 45 -2.567 -5.964 6.921 1.00 0.00 N ATOM 625 CA THR A 45 -2.421 -6.352 8.318 1.00 0.00 C ATOM 626 C THR A 45 -3.768 -6.361 9.031 1.00 0.00 C ATOM 627 O THR A 45 -4.103 -7.315 9.732 1.00 0.00 O ATOM 628 CB THR A 45 -1.463 -5.407 9.067 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.526 -4.094 8.498 1.00 0.00 O ATOM 630 CG2 THR A 45 -0.034 -5.924 9.006 1.00 0.00 C ATOM 0 H THR A 45 -2.309 -4.997 6.723 1.00 0.00 H new ATOM 0 HA THR A 45 -2.004 -7.359 8.323 1.00 0.00 H new ATOM 0 HB THR A 45 -1.772 -5.365 10.111 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.413 -3.949 8.106 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.624 -5.240 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.016 -6.911 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.284 -5.993 7.966 1.00 0.00 H new ATOM 638 N GLN A 46 -4.537 -5.293 8.845 1.00 0.00 N ATOM 639 CA GLN A 46 -5.849 -5.179 9.471 1.00 0.00 C ATOM 640 C GLN A 46 -6.917 -4.832 8.439 1.00 0.00 C ATOM 641 O GLN A 46 -6.610 -4.585 7.273 1.00 0.00 O ATOM 642 CB GLN A 46 -5.822 -4.115 10.571 1.00 0.00 C ATOM 643 CG GLN A 46 -5.465 -4.666 11.942 1.00 0.00 C ATOM 644 CD GLN A 46 -5.190 -3.574 12.956 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.672 -2.449 12.820 1.00 0.00 O ATOM 646 NE2 GLN A 46 -4.413 -3.901 13.982 1.00 0.00 N ATOM 0 H GLN A 46 -4.274 -4.495 8.266 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.097 -6.144 9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.102 -3.343 10.300 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.799 -3.635 10.625 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.281 -5.293 12.301 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.586 -5.305 11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.035 -4.846 14.055 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.194 -3.208 14.697 1.00 0.00 H new ATOM 655 N GLY A 47 -8.173 -4.818 8.875 1.00 0.00 N ATOM 656 CA GLY A 47 -9.267 -4.501 7.976 1.00 0.00 C ATOM 657 C GLY A 47 -10.065 -5.727 7.579 1.00 0.00 C ATOM 658 O GLY A 47 -9.671 -6.863 7.845 1.00 0.00 O ATOM 0 H GLY A 47 -8.452 -5.021 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.929 -3.780 8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.870 -4.024 7.080 1.00 0.00 H new ATOM 662 N PRO A 48 -11.216 -5.504 6.929 1.00 0.00 N ATOM 663 CA PRO A 48 -12.096 -6.588 6.482 1.00 0.00 C ATOM 664 C PRO A 48 -11.491 -7.392 5.336 1.00 0.00 C ATOM 665 O PRO A 48 -11.338 -6.886 4.224 1.00 0.00 O ATOM 666 CB PRO A 48 -13.355 -5.853 6.014 1.00 0.00 C ATOM 667 CG PRO A 48 -12.882 -4.491 5.642 1.00 0.00 C ATOM 668 CD PRO A 48 -11.748 -4.176 6.578 1.00 0.00 C ATOM 0 HA PRO A 48 -12.280 -7.316 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.815 -6.358 5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.105 -5.810 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.550 -4.463 4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.684 -3.759 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.992 -3.554 6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.093 -3.635 7.459 1.00 0.00 H new ATOM 676 N ASP A 49 -11.149 -8.645 5.614 1.00 0.00 N ATOM 677 CA ASP A 49 -10.561 -9.519 4.606 1.00 0.00 C ATOM 678 C ASP A 49 -11.518 -9.715 3.433 1.00 0.00 C ATOM 679 O ASP A 49 -12.659 -10.136 3.615 1.00 0.00 O ATOM 680 CB ASP A 49 -10.202 -10.873 5.220 1.00 0.00 C ATOM 681 CG ASP A 49 -9.176 -10.752 6.328 1.00 0.00 C ATOM 682 OD1 ASP A 49 -7.989 -10.521 6.015 1.00 0.00 O ATOM 683 OD2 ASP A 49 -9.558 -10.889 7.509 1.00 0.00 O ATOM 0 H ASP A 49 -11.269 -9.078 6.530 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.652 -9.046 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.104 -11.341 5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.816 -11.531 4.441 1.00 0.00 H new ATOM 688 N GLY A 50 -11.043 -9.406 2.230 1.00 0.00 N ATOM 689 CA GLY A 50 -11.869 -9.554 1.046 1.00 0.00 C ATOM 690 C GLY A 50 -11.273 -8.867 -0.166 1.00 0.00 C ATOM 691 O GLY A 50 -11.319 -9.399 -1.275 1.00 0.00 O ATOM 0 H GLY A 50 -10.101 -9.056 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.002 -10.614 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.859 -9.142 1.243 1.00 0.00 H new ATOM 695 N VAL A 51 -10.713 -7.680 0.044 1.00 0.00 N ATOM 696 CA VAL A 51 -10.106 -6.919 -1.041 1.00 0.00 C ATOM 697 C VAL A 51 -9.119 -7.774 -1.828 1.00 0.00 C ATOM 698 O VAL A 51 -8.739 -8.860 -1.391 1.00 0.00 O ATOM 699 CB VAL A 51 -9.376 -5.670 -0.510 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.208 -4.979 0.559 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.004 -6.045 0.030 1.00 0.00 C ATOM 0 H VAL A 51 -10.667 -7.225 0.956 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.916 -6.606 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.238 -4.972 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.676 -4.099 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.165 -4.675 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.380 -5.666 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.502 -5.151 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.117 -6.762 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.409 -6.491 -0.767 1.00 0.00 H new ATOM 711 N GLN A 52 -8.709 -7.276 -2.990 1.00 0.00 N ATOM 712 CA GLN A 52 -7.766 -7.996 -3.838 1.00 0.00 C ATOM 713 C GLN A 52 -6.509 -7.167 -4.081 1.00 0.00 C ATOM 714 O GLN A 52 -6.574 -6.073 -4.645 1.00 0.00 O ATOM 715 CB GLN A 52 -8.421 -8.355 -5.174 1.00 0.00 C ATOM 716 CG GLN A 52 -9.260 -9.621 -5.119 1.00 0.00 C ATOM 717 CD GLN A 52 -9.805 -10.019 -6.476 1.00 0.00 C ATOM 718 OE1 GLN A 52 -9.068 -10.082 -7.460 1.00 0.00 O ATOM 719 NE2 GLN A 52 -11.104 -10.291 -6.536 1.00 0.00 N ATOM 0 H GLN A 52 -9.014 -6.378 -3.365 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.480 -8.913 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.051 -7.525 -5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.644 -8.476 -5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.655 -10.436 -4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.090 -9.473 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.678 -10.226 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.527 -10.565 -7.423 1.00 0.00 H new ATOM 728 N LEU A 53 -5.368 -7.693 -3.652 1.00 0.00 N ATOM 729 CA LEU A 53 -4.095 -7.001 -3.822 1.00 0.00 C ATOM 730 C LEU A 53 -3.340 -7.540 -5.034 1.00 0.00 C ATOM 731 O LEU A 53 -3.030 -8.728 -5.105 1.00 0.00 O ATOM 732 CB LEU A 53 -3.237 -7.151 -2.565 1.00 0.00 C ATOM 733 CG LEU A 53 -3.371 -6.039 -1.524 1.00 0.00 C ATOM 734 CD1 LEU A 53 -3.158 -6.591 -0.123 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.386 -4.917 -1.813 1.00 0.00 C ATOM 0 H LEU A 53 -5.298 -8.596 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.304 -5.944 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.488 -8.099 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.192 -7.213 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.381 -5.633 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.257 -5.785 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.903 -7.359 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.161 -7.025 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.495 -4.134 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.369 -5.309 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.586 -4.503 -2.801 1.00 0.00 H new ATOM 747 N GLU A 54 -3.046 -6.656 -5.982 1.00 0.00 N ATOM 748 CA GLU A 54 -2.326 -7.044 -7.189 1.00 0.00 C ATOM 749 C GLU A 54 -0.904 -6.490 -7.177 1.00 0.00 C ATOM 750 O GLU A 54 -0.642 -5.438 -6.595 1.00 0.00 O ATOM 751 CB GLU A 54 -3.066 -6.548 -8.433 1.00 0.00 C ATOM 752 CG GLU A 54 -4.078 -7.543 -8.976 1.00 0.00 C ATOM 753 CD GLU A 54 -3.495 -8.932 -9.151 1.00 0.00 C ATOM 754 OE1 GLU A 54 -2.848 -9.176 -10.192 1.00 0.00 O ATOM 755 OE2 GLU A 54 -3.684 -9.774 -8.249 1.00 0.00 O ATOM 0 H GLU A 54 -3.295 -5.668 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.274 -8.132 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.578 -5.616 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.338 -6.321 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.931 -7.594 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.453 -7.187 -9.936 1.00 0.00 H new ATOM 762 N ASN A 55 0.010 -7.207 -7.822 1.00 0.00 N ATOM 763 CA ASN A 55 1.406 -6.789 -7.884 1.00 0.00 C ATOM 764 C ASN A 55 1.983 -6.608 -6.483 1.00 0.00 C ATOM 765 O ASN A 55 2.916 -5.832 -6.280 1.00 0.00 O ATOM 766 CB ASN A 55 1.534 -5.484 -8.673 1.00 0.00 C ATOM 767 CG ASN A 55 1.756 -5.723 -10.154 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.816 -6.192 -10.566 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.752 -5.400 -10.961 1.00 0.00 N ATOM 0 H ASN A 55 -0.191 -8.080 -8.309 1.00 0.00 H new ATOM 0 HA ASN A 55 1.971 -7.570 -8.392 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.631 -4.889 -8.535 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.364 -4.901 -8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.842 -5.538 -11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.109 -5.014 -10.574 1.00 0.00 H new ATOM 776 N ALA A 56 1.420 -7.331 -5.520 1.00 0.00 N ATOM 777 CA ALA A 56 1.880 -7.253 -4.139 1.00 0.00 C ATOM 778 C ALA A 56 3.400 -7.352 -4.060 1.00 0.00 C ATOM 779 O ALA A 56 4.027 -6.732 -3.202 1.00 0.00 O ATOM 780 CB ALA A 56 1.233 -8.349 -3.305 1.00 0.00 C ATOM 0 H ALA A 56 0.645 -7.977 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 56 1.584 -6.284 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.585 -8.279 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.150 -8.231 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.500 -9.323 -3.714 1.00 0.00 H new ATOM 786 N ASN A 57 3.985 -8.136 -4.959 1.00 0.00 N ATOM 787 CA ASN A 57 5.432 -8.317 -4.990 1.00 0.00 C ATOM 788 C ASN A 57 6.104 -7.195 -5.775 1.00 0.00 C ATOM 789 O ASN A 57 7.137 -7.401 -6.412 1.00 0.00 O ATOM 790 CB ASN A 57 5.784 -9.670 -5.610 1.00 0.00 C ATOM 791 CG ASN A 57 4.906 -10.792 -5.088 1.00 0.00 C ATOM 792 OD1 ASN A 57 3.966 -11.222 -5.757 1.00 0.00 O ATOM 793 ND2 ASN A 57 5.209 -11.270 -3.887 1.00 0.00 N ATOM 0 H ASN A 57 3.480 -8.656 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 57 5.799 -8.288 -3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.683 -9.607 -6.693 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.828 -9.902 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.654 -12.024 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.997 -10.883 -3.368 1.00 0.00 H new ATOM 800 N SER A 58 5.510 -6.006 -5.724 1.00 0.00 N ATOM 801 CA SER A 58 6.049 -4.852 -6.433 1.00 0.00 C ATOM 802 C SER A 58 6.004 -3.605 -5.555 1.00 0.00 C ATOM 803 O SER A 58 5.181 -3.503 -4.645 1.00 0.00 O ATOM 804 CB SER A 58 5.266 -4.608 -7.725 1.00 0.00 C ATOM 805 OG SER A 58 5.250 -5.769 -8.538 1.00 0.00 O ATOM 0 H SER A 58 4.656 -5.818 -5.199 1.00 0.00 H new ATOM 0 HA SER A 58 7.089 -5.063 -6.681 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.244 -4.314 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.715 -3.781 -8.275 1.00 0.00 H new ATOM 0 HG SER A 58 4.449 -5.762 -9.102 1.00 0.00 H new ATOM 811 N SER A 59 6.894 -2.659 -5.835 1.00 0.00 N ATOM 812 CA SER A 59 6.959 -1.420 -5.068 1.00 0.00 C ATOM 813 C SER A 59 5.595 -0.737 -5.022 1.00 0.00 C ATOM 814 O SER A 59 5.268 -0.042 -4.060 1.00 0.00 O ATOM 815 CB SER A 59 7.996 -0.473 -5.677 1.00 0.00 C ATOM 816 OG SER A 59 9.066 -1.196 -6.261 1.00 0.00 O ATOM 0 H SER A 59 7.580 -2.726 -6.587 1.00 0.00 H new ATOM 0 HA SER A 59 7.256 -1.667 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.522 0.154 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.382 0.194 -4.906 1.00 0.00 H new ATOM 0 HG SER A 59 9.637 -1.563 -5.554 1.00 0.00 H new ATOM 822 N VAL A 60 4.803 -0.941 -6.070 1.00 0.00 N ATOM 823 CA VAL A 60 3.474 -0.347 -6.150 1.00 0.00 C ATOM 824 C VAL A 60 2.396 -1.422 -6.240 1.00 0.00 C ATOM 825 O VAL A 60 2.323 -2.162 -7.221 1.00 0.00 O ATOM 826 CB VAL A 60 3.351 0.591 -7.366 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.027 1.340 -7.330 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.521 1.561 -7.410 1.00 0.00 C ATOM 0 H VAL A 60 5.059 -1.513 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 60 3.330 0.232 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 60 3.375 -0.012 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.957 1.998 -8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.204 0.625 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.970 1.934 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.418 2.216 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.531 2.161 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.454 1.003 -7.487 1.00 0.00 H new ATOM 838 N ALA A 61 1.561 -1.502 -5.210 1.00 0.00 N ATOM 839 CA ALA A 61 0.485 -2.484 -5.173 1.00 0.00 C ATOM 840 C ALA A 61 -0.862 -1.835 -5.475 1.00 0.00 C ATOM 841 O ALA A 61 -0.995 -0.612 -5.442 1.00 0.00 O ATOM 842 CB ALA A 61 0.447 -3.176 -3.819 1.00 0.00 C ATOM 0 H ALA A 61 1.609 -0.898 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 61 0.681 -3.229 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.362 -3.907 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.396 -3.682 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.279 -2.436 -3.037 1.00 0.00 H new ATOM 848 N THR A 62 -1.860 -2.663 -5.771 1.00 0.00 N ATOM 849 CA THR A 62 -3.195 -2.170 -6.081 1.00 0.00 C ATOM 850 C THR A 62 -4.263 -2.983 -5.358 1.00 0.00 C ATOM 851 O THR A 62 -4.338 -4.202 -5.510 1.00 0.00 O ATOM 852 CB THR A 62 -3.472 -2.211 -7.596 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.460 -1.482 -8.299 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.839 -1.623 -7.912 1.00 0.00 C ATOM 0 H THR A 62 -1.768 -3.678 -5.802 1.00 0.00 H new ATOM 0 HA THR A 62 -3.237 -1.136 -5.740 1.00 0.00 H new ATOM 0 HB THR A 62 -3.459 -3.252 -7.917 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.642 -1.514 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.012 -1.663 -8.987 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.610 -2.198 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.876 -0.587 -7.577 1.00 0.00 H new ATOM 862 N VAL A 63 -5.089 -2.300 -4.572 1.00 0.00 N ATOM 863 CA VAL A 63 -6.155 -2.960 -3.827 1.00 0.00 C ATOM 864 C VAL A 63 -7.514 -2.705 -4.469 1.00 0.00 C ATOM 865 O VAL A 63 -7.978 -1.566 -4.538 1.00 0.00 O ATOM 866 CB VAL A 63 -6.194 -2.483 -2.363 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.382 -3.093 -1.634 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.891 -2.827 -1.656 1.00 0.00 C ATOM 0 H VAL A 63 -5.041 -1.290 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.941 -4.029 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.311 -1.399 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.393 -2.745 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.306 -2.792 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.299 -4.180 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.936 -2.483 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.742 -3.907 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.061 -2.338 -2.166 1.00 0.00 H new ATOM 878 N THR A 64 -8.150 -3.773 -4.940 1.00 0.00 N ATOM 879 CA THR A 64 -9.456 -3.665 -5.578 1.00 0.00 C ATOM 880 C THR A 64 -10.543 -4.298 -4.716 1.00 0.00 C ATOM 881 O THR A 64 -10.267 -5.169 -3.892 1.00 0.00 O ATOM 882 CB THR A 64 -9.461 -4.336 -6.964 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.259 -5.747 -6.827 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.376 -3.748 -7.854 1.00 0.00 C ATOM 0 H THR A 64 -7.782 -4.723 -4.892 1.00 0.00 H new ATOM 0 HA THR A 64 -9.663 -2.601 -5.696 1.00 0.00 H new ATOM 0 HB THR A 64 -10.430 -4.152 -7.428 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.265 -6.166 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.399 -4.238 -8.828 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.549 -2.679 -7.981 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.401 -3.905 -7.392 1.00 0.00 H new ATOM 892 N GLY A 65 -11.781 -3.855 -4.913 1.00 0.00 N ATOM 893 CA GLY A 65 -12.891 -4.390 -4.146 1.00 0.00 C ATOM 894 C GLY A 65 -12.924 -3.859 -2.726 1.00 0.00 C ATOM 895 O GLY A 65 -12.999 -4.630 -1.769 1.00 0.00 O ATOM 0 H GLY A 65 -12.035 -3.135 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.827 -4.141 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.822 -5.478 -4.122 1.00 0.00 H new ATOM 899 N LEU A 66 -12.867 -2.539 -2.589 1.00 0.00 N ATOM 900 CA LEU A 66 -12.889 -1.905 -1.275 1.00 0.00 C ATOM 901 C LEU A 66 -14.312 -1.523 -0.879 1.00 0.00 C ATOM 902 O LEU A 66 -15.240 -1.637 -1.679 1.00 0.00 O ATOM 903 CB LEU A 66 -11.995 -0.664 -1.271 1.00 0.00 C ATOM 904 CG LEU A 66 -10.488 -0.923 -1.269 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.752 0.208 -1.970 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.977 -1.092 0.154 1.00 0.00 C ATOM 0 H LEU A 66 -12.805 -1.887 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.509 -2.621 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.239 -0.062 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.242 -0.066 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.297 -1.847 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.681 0.007 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.097 0.282 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.950 1.147 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.903 -1.276 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.180 -0.185 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.481 -1.936 0.624 1.00 0.00 H new ATOM 918 N GLN A 67 -14.474 -1.066 0.358 1.00 0.00 N ATOM 919 CA GLN A 67 -15.783 -0.665 0.859 1.00 0.00 C ATOM 920 C GLN A 67 -15.652 0.116 2.162 1.00 0.00 C ATOM 921 O GLN A 67 -14.692 -0.064 2.912 1.00 0.00 O ATOM 922 CB GLN A 67 -16.668 -1.894 1.074 1.00 0.00 C ATOM 923 CG GLN A 67 -16.046 -2.941 1.984 1.00 0.00 C ATOM 924 CD GLN A 67 -16.855 -4.221 2.040 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.620 -4.526 1.124 1.00 0.00 O ATOM 926 NE2 GLN A 67 -16.691 -4.980 3.117 1.00 0.00 N ATOM 0 H GLN A 67 -13.715 -0.964 1.032 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.246 -0.018 0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.620 -1.576 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.886 -2.348 0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.039 -3.168 1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.950 -2.532 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.047 -4.689 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.209 -5.854 3.209 1.00 0.00 H new ATOM 935 N VAL A 68 -16.623 0.984 2.426 1.00 0.00 N ATOM 936 CA VAL A 68 -16.616 1.793 3.639 1.00 0.00 C ATOM 937 C VAL A 68 -16.034 1.016 4.815 1.00 0.00 C ATOM 938 O VAL A 68 -16.741 0.269 5.490 1.00 0.00 O ATOM 939 CB VAL A 68 -18.035 2.268 4.005 1.00 0.00 C ATOM 940 CG1 VAL A 68 -18.017 3.048 5.311 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.621 3.108 2.881 1.00 0.00 C ATOM 0 H VAL A 68 -17.425 1.145 1.816 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.990 2.662 3.436 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.669 1.392 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -19.028 3.375 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.641 2.410 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.369 3.918 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.624 3.435 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.989 3.979 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.671 2.512 1.970 1.00 0.00 H new ATOM 951 N GLY A 69 -14.738 1.198 5.054 1.00 0.00 N ATOM 952 CA GLY A 69 -14.082 0.507 6.148 1.00 0.00 C ATOM 953 C GLY A 69 -12.633 0.923 6.311 1.00 0.00 C ATOM 954 O GLY A 69 -12.147 1.800 5.597 1.00 0.00 O ATOM 0 H GLY A 69 -14.132 1.811 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.620 0.706 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.131 -0.568 5.976 1.00 0.00 H new ATOM 958 N THR A 70 -11.941 0.292 7.254 1.00 0.00 N ATOM 959 CA THR A 70 -10.540 0.603 7.510 1.00 0.00 C ATOM 960 C THR A 70 -9.632 -0.531 7.048 1.00 0.00 C ATOM 961 O THR A 70 -9.813 -1.683 7.440 1.00 0.00 O ATOM 962 CB THR A 70 -10.288 0.870 9.006 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.370 1.628 9.558 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.981 1.621 9.209 1.00 0.00 C ATOM 0 H THR A 70 -12.328 -0.437 7.853 1.00 0.00 H new ATOM 0 HA THR A 70 -10.308 1.505 6.943 1.00 0.00 H new ATOM 0 HB THR A 70 -10.220 -0.090 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.203 1.792 10.510 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.825 1.798 10.273 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.156 1.028 8.815 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.025 2.576 8.685 1.00 0.00 H new ATOM 972 N TYR A 71 -8.654 -0.196 6.213 1.00 0.00 N ATOM 973 CA TYR A 71 -7.718 -1.187 5.696 1.00 0.00 C ATOM 974 C TYR A 71 -6.277 -0.776 5.982 1.00 0.00 C ATOM 975 O TYR A 71 -5.811 0.265 5.517 1.00 0.00 O ATOM 976 CB TYR A 71 -7.918 -1.372 4.191 1.00 0.00 C ATOM 977 CG TYR A 71 -9.304 -1.849 3.818 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.357 -0.952 3.689 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.559 -3.196 3.596 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.625 -1.384 3.350 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.823 -3.637 3.255 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.853 -2.727 3.133 1.00 0.00 C ATOM 983 OH TYR A 71 -13.114 -3.162 2.795 1.00 0.00 O ATOM 0 H TYR A 71 -8.489 0.754 5.880 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.914 -2.133 6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.721 -0.425 3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.185 -2.088 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.182 0.100 3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.755 -3.911 3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.433 -0.674 3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.004 -4.688 3.085 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.058 -3.752 2.014 1.00 0.00 H new ATOM 993 N VAL A 72 -5.574 -1.603 6.750 1.00 0.00 N ATOM 994 CA VAL A 72 -4.185 -1.329 7.097 1.00 0.00 C ATOM 995 C VAL A 72 -3.236 -2.250 6.339 1.00 0.00 C ATOM 996 O VAL A 72 -3.154 -3.445 6.624 1.00 0.00 O ATOM 997 CB VAL A 72 -3.942 -1.492 8.610 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.561 -0.979 8.987 1.00 0.00 C ATOM 999 CG2 VAL A 72 -5.023 -0.773 9.403 1.00 0.00 C ATOM 0 H VAL A 72 -5.944 -2.468 7.143 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.986 -0.295 6.813 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.988 -2.553 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.407 -1.102 10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.803 -1.543 8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.482 0.077 8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.836 -0.898 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.011 0.288 9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.997 -1.193 9.154 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.521 -1.687 5.371 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.578 -2.458 4.570 1.00 0.00 C ATOM 1011 C PHE A 73 -0.139 -2.139 4.967 1.00 0.00 C ATOM 1012 O PHE A 73 0.264 -0.976 5.007 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.783 -2.168 3.082 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.195 -2.387 2.618 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -4.134 -1.373 2.711 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.583 -3.608 2.089 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -5.434 -1.572 2.286 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -4.882 -3.813 1.662 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.808 -2.793 1.760 1.00 0.00 C ATOM 0 H PHE A 73 -2.577 -0.699 5.122 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.763 -3.516 4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.498 -1.136 2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.115 -2.804 2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.847 -0.416 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.862 -4.408 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.157 -0.773 2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.172 -4.769 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.823 -2.950 1.426 1.00 0.00 H new ATOM 1029 N THR A 74 0.632 -3.181 5.263 1.00 0.00 N ATOM 1030 CA THR A 74 2.024 -3.014 5.659 1.00 0.00 C ATOM 1031 C THR A 74 2.966 -3.316 4.499 1.00 0.00 C ATOM 1032 O THR A 74 2.789 -4.303 3.783 1.00 0.00 O ATOM 1033 CB THR A 74 2.384 -3.925 6.848 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.854 -3.378 8.061 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.891 -4.083 6.972 1.00 0.00 C ATOM 0 H THR A 74 0.315 -4.150 5.236 1.00 0.00 H new ATOM 0 HA THR A 74 2.144 -1.973 5.959 1.00 0.00 H new ATOM 0 HB THR A 74 1.946 -4.907 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.216 -3.870 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.121 -4.730 7.818 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.287 -4.526 6.058 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.348 -3.106 7.128 1.00 0.00 H new ATOM 1043 N LEU A 75 3.968 -2.462 4.318 1.00 0.00 N ATOM 1044 CA LEU A 75 4.939 -2.639 3.245 1.00 0.00 C ATOM 1045 C LEU A 75 6.297 -3.053 3.802 1.00 0.00 C ATOM 1046 O LEU A 75 7.022 -2.237 4.372 1.00 0.00 O ATOM 1047 CB LEU A 75 5.079 -1.346 2.439 1.00 0.00 C ATOM 1048 CG LEU A 75 6.280 -1.269 1.496 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.166 -2.316 0.399 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.398 0.124 0.895 1.00 0.00 C ATOM 0 H LEU A 75 4.129 -1.640 4.901 1.00 0.00 H new ATOM 0 HA LEU A 75 4.579 -3.432 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.172 -1.208 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.137 -0.511 3.137 1.00 0.00 H new ATOM 0 HG LEU A 75 7.183 -1.473 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.030 -2.246 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.131 -3.309 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.255 -2.144 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.258 0.160 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.493 0.356 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.528 0.855 1.693 1.00 0.00 H new ATOM 1062 N THR A 76 6.638 -4.326 3.631 1.00 0.00 N ATOM 1063 CA THR A 76 7.909 -4.849 4.116 1.00 0.00 C ATOM 1064 C THR A 76 8.925 -4.962 2.985 1.00 0.00 C ATOM 1065 O THR A 76 8.757 -5.761 2.063 1.00 0.00 O ATOM 1066 CB THR A 76 7.735 -6.231 4.773 1.00 0.00 C ATOM 1067 OG1 THR A 76 7.010 -6.102 6.002 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.086 -6.878 5.041 1.00 0.00 C ATOM 0 H THR A 76 6.051 -5.014 3.160 1.00 0.00 H new ATOM 0 HA THR A 76 8.276 -4.144 4.862 1.00 0.00 H new ATOM 0 HB THR A 76 7.176 -6.867 4.086 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.902 -6.985 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.937 -7.853 5.505 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.623 -7.002 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.667 -6.243 5.709 1.00 0.00 H new ATOM 1076 N VAL A 77 9.979 -4.156 3.060 1.00 0.00 N ATOM 1077 CA VAL A 77 11.024 -4.167 2.042 1.00 0.00 C ATOM 1078 C VAL A 77 12.392 -4.424 2.662 1.00 0.00 C ATOM 1079 O VAL A 77 12.528 -4.508 3.883 1.00 0.00 O ATOM 1080 CB VAL A 77 11.065 -2.837 1.267 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.657 -2.366 0.937 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.816 -1.780 2.063 1.00 0.00 C ATOM 0 H VAL A 77 10.132 -3.487 3.815 1.00 0.00 H new ATOM 0 HA VAL A 77 10.785 -4.975 1.351 1.00 0.00 H new ATOM 0 HB VAL A 77 11.596 -3.000 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.707 -1.425 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.157 -3.116 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.097 -2.219 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.835 -0.847 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.314 -1.618 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.837 -2.117 2.242 1.00 0.00 H new ATOM 1092 N LYS A 78 13.407 -4.549 1.813 1.00 0.00 N ATOM 1093 CA LYS A 78 14.767 -4.795 2.275 1.00 0.00 C ATOM 1094 C LYS A 78 15.786 -4.168 1.329 1.00 0.00 C ATOM 1095 O LYS A 78 15.506 -3.963 0.148 1.00 0.00 O ATOM 1096 CB LYS A 78 15.023 -6.299 2.394 1.00 0.00 C ATOM 1097 CG LYS A 78 14.679 -6.869 3.759 1.00 0.00 C ATOM 1098 CD LYS A 78 14.479 -8.374 3.700 1.00 0.00 C ATOM 1099 CE LYS A 78 13.647 -8.872 4.872 1.00 0.00 C ATOM 1100 NZ LYS A 78 13.842 -10.329 5.111 1.00 0.00 N ATOM 0 H LYS A 78 13.312 -4.484 0.800 1.00 0.00 H new ATOM 0 HA LYS A 78 14.879 -4.335 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.439 -6.819 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.073 -6.498 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.477 -6.634 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.772 -6.395 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.987 -8.640 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.449 -8.871 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.917 -8.317 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.593 -8.673 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.258 -10.630 5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.561 -10.861 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.844 -10.516 5.320 1.00 0.00 H new ATOM 1114 N ASP A 79 16.968 -3.866 1.855 1.00 0.00 N ATOM 1115 CA ASP A 79 18.029 -3.265 1.055 1.00 0.00 C ATOM 1116 C ASP A 79 19.214 -4.216 0.922 1.00 0.00 C ATOM 1117 O ASP A 79 19.249 -5.272 1.554 1.00 0.00 O ATOM 1118 CB ASP A 79 18.485 -1.947 1.683 1.00 0.00 C ATOM 1119 CG ASP A 79 17.441 -0.855 1.559 1.00 0.00 C ATOM 1120 OD1 ASP A 79 16.236 -1.177 1.624 1.00 0.00 O ATOM 1121 OD2 ASP A 79 17.828 0.321 1.397 1.00 0.00 O ATOM 0 H ASP A 79 17.216 -4.027 2.831 1.00 0.00 H new ATOM 0 HA ASP A 79 17.632 -3.066 0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.713 -2.110 2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.408 -1.620 1.204 1.00 0.00 H new ATOM 1126 N GLU A 80 20.183 -3.835 0.095 1.00 0.00 N ATOM 1127 CA GLU A 80 21.368 -4.656 -0.122 1.00 0.00 C ATOM 1128 C GLU A 80 21.966 -5.111 1.207 1.00 0.00 C ATOM 1129 O GLU A 80 22.545 -6.193 1.301 1.00 0.00 O ATOM 1130 CB GLU A 80 22.414 -3.878 -0.924 1.00 0.00 C ATOM 1131 CG GLU A 80 23.678 -4.673 -1.207 1.00 0.00 C ATOM 1132 CD GLU A 80 24.509 -4.911 0.038 1.00 0.00 C ATOM 1133 OE1 GLU A 80 24.561 -4.009 0.899 1.00 0.00 O ATOM 1134 OE2 GLU A 80 25.107 -6.002 0.152 1.00 0.00 O ATOM 0 H GLU A 80 20.170 -2.964 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 80 21.069 -5.539 -0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.974 -3.563 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.679 -2.973 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 80 23.408 -5.633 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 80 24.279 -4.141 -1.944 1.00 0.00 H new ATOM 1141 N ARG A 81 21.820 -4.277 2.231 1.00 0.00 N ATOM 1142 CA ARG A 81 22.346 -4.592 3.554 1.00 0.00 C ATOM 1143 C ARG A 81 21.364 -5.457 4.338 1.00 0.00 C ATOM 1144 O ARG A 81 21.368 -5.458 5.568 1.00 0.00 O ATOM 1145 CB ARG A 81 22.641 -3.306 4.328 1.00 0.00 C ATOM 1146 CG ARG A 81 23.917 -2.608 3.888 1.00 0.00 C ATOM 1147 CD ARG A 81 24.341 -1.541 4.885 1.00 0.00 C ATOM 1148 NE ARG A 81 25.155 -2.093 5.965 1.00 0.00 N ATOM 1149 CZ ARG A 81 26.453 -2.349 5.850 1.00 0.00 C ATOM 1150 NH1 ARG A 81 27.082 -2.104 4.709 1.00 0.00 N ATOM 1151 NH2 ARG A 81 27.125 -2.851 6.878 1.00 0.00 N ATOM 0 H ARG A 81 21.342 -3.378 2.170 1.00 0.00 H new ATOM 0 HA ARG A 81 23.273 -5.151 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.802 -2.620 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.713 -3.540 5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.715 -3.342 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 81 23.765 -2.153 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.904 -0.765 4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 81 23.455 -1.065 5.306 1.00 0.00 H new ATOM 0 HE ARG A 81 24.701 -2.293 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 81 26.569 -1.718 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 81 28.079 -2.302 4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 81 26.645 -3.041 7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 81 28.122 -3.047 6.789 1.00 0.00 H new ATOM 1165 N ASN A 82 20.523 -6.190 3.616 1.00 0.00 N ATOM 1166 CA ASN A 82 19.533 -7.059 4.244 1.00 0.00 C ATOM 1167 C ASN A 82 18.833 -6.343 5.394 1.00 0.00 C ATOM 1168 O ASN A 82 18.461 -6.962 6.392 1.00 0.00 O ATOM 1169 CB ASN A 82 20.199 -8.338 4.755 1.00 0.00 C ATOM 1170 CG ASN A 82 20.829 -9.148 3.638 1.00 0.00 C ATOM 1171 OD1 ASN A 82 20.133 -9.798 2.858 1.00 0.00 O ATOM 1172 ND2 ASN A 82 22.154 -9.111 3.556 1.00 0.00 N ATOM 0 H ASN A 82 20.507 -6.200 2.596 1.00 0.00 H new ATOM 0 HA ASN A 82 18.787 -7.320 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.963 -8.079 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.458 -8.949 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 82 22.635 -9.635 2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 82 22.691 -8.558 4.224 1.00 0.00 H new ATOM 1179 N LEU A 83 18.655 -5.034 5.248 1.00 0.00 N ATOM 1180 CA LEU A 83 17.998 -4.232 6.275 1.00 0.00 C ATOM 1181 C LEU A 83 16.485 -4.419 6.226 1.00 0.00 C ATOM 1182 O LEU A 83 15.848 -4.135 5.212 1.00 0.00 O ATOM 1183 CB LEU A 83 18.347 -2.754 6.096 1.00 0.00 C ATOM 1184 CG LEU A 83 19.635 -2.281 6.772 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.122 -0.985 6.145 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.417 -2.104 8.268 1.00 0.00 C ATOM 0 H LEU A 83 18.956 -4.506 4.429 1.00 0.00 H new ATOM 0 HA LEU A 83 18.356 -4.568 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.423 -2.546 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.519 -2.157 6.479 1.00 0.00 H new ATOM 0 HG LEU A 83 20.402 -3.042 6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.039 -0.664 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.318 -1.145 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.359 -0.215 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.343 -1.767 8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.636 -1.363 8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.116 -3.055 8.707 1.00 0.00 H new ATOM 1198 N GLN A 84 15.917 -4.895 7.329 1.00 0.00 N ATOM 1199 CA GLN A 84 14.478 -5.117 7.412 1.00 0.00 C ATOM 1200 C GLN A 84 13.754 -3.845 7.842 1.00 0.00 C ATOM 1201 O GLN A 84 14.177 -3.165 8.777 1.00 0.00 O ATOM 1202 CB GLN A 84 14.171 -6.250 8.393 1.00 0.00 C ATOM 1203 CG GLN A 84 12.880 -6.990 8.083 1.00 0.00 C ATOM 1204 CD GLN A 84 11.672 -6.358 8.747 1.00 0.00 C ATOM 1205 OE1 GLN A 84 10.725 -5.947 8.076 1.00 0.00 O ATOM 1206 NE2 GLN A 84 11.698 -6.279 10.072 1.00 0.00 N ATOM 0 H GLN A 84 16.431 -5.134 8.177 1.00 0.00 H new ATOM 0 HA GLN A 84 14.122 -5.398 6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.998 -6.960 8.385 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.112 -5.840 9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.728 -7.011 7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.971 -8.025 8.412 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.504 -6.632 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.912 -5.865 10.574 1.00 0.00 H new ATOM 1215 N SER A 85 12.662 -3.530 7.154 1.00 0.00 N ATOM 1216 CA SER A 85 11.882 -2.338 7.462 1.00 0.00 C ATOM 1217 C SER A 85 10.388 -2.650 7.458 1.00 0.00 C ATOM 1218 O SER A 85 9.983 -3.791 7.244 1.00 0.00 O ATOM 1219 CB SER A 85 12.185 -1.229 6.453 1.00 0.00 C ATOM 1220 OG SER A 85 13.402 -0.574 6.765 1.00 0.00 O ATOM 0 H SER A 85 12.297 -4.084 6.379 1.00 0.00 H new ATOM 0 HA SER A 85 12.162 -1.999 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.243 -1.652 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.370 -0.505 6.448 1.00 0.00 H new ATOM 0 HG SER A 85 13.574 0.129 6.104 1.00 0.00 H new ATOM 1226 N GLN A 86 9.576 -1.625 7.698 1.00 0.00 N ATOM 1227 CA GLN A 86 8.127 -1.790 7.724 1.00 0.00 C ATOM 1228 C GLN A 86 7.424 -0.437 7.670 1.00 0.00 C ATOM 1229 O GLN A 86 7.888 0.538 8.261 1.00 0.00 O ATOM 1230 CB GLN A 86 7.701 -2.550 8.981 1.00 0.00 C ATOM 1231 CG GLN A 86 6.438 -3.376 8.793 1.00 0.00 C ATOM 1232 CD GLN A 86 6.082 -4.185 10.025 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.301 -3.743 10.868 1.00 0.00 O ATOM 1234 NE2 GLN A 86 6.655 -5.378 10.136 1.00 0.00 N ATOM 0 H GLN A 86 9.896 -0.673 7.877 1.00 0.00 H new ATOM 0 HA GLN A 86 7.836 -2.365 6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.513 -3.208 9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.542 -1.837 9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.608 -2.714 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.571 -4.050 7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.296 -5.705 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.454 -5.967 10.944 1.00 0.00 H new ATOM 1243 N SER A 87 6.303 -0.386 6.958 1.00 0.00 N ATOM 1244 CA SER A 87 5.539 0.849 6.824 1.00 0.00 C ATOM 1245 C SER A 87 4.077 0.550 6.505 1.00 0.00 C ATOM 1246 O SER A 87 3.758 0.020 5.441 1.00 0.00 O ATOM 1247 CB SER A 87 6.142 1.730 5.728 1.00 0.00 C ATOM 1248 OG SER A 87 5.552 3.019 5.729 1.00 0.00 O ATOM 0 H SER A 87 5.904 -1.185 6.465 1.00 0.00 H new ATOM 0 HA SER A 87 5.585 1.381 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.218 1.819 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.994 1.259 4.756 1.00 0.00 H new ATOM 0 HG SER A 87 5.413 3.316 4.805 1.00 0.00 H new ATOM 1254 N SER A 88 3.193 0.895 7.436 1.00 0.00 N ATOM 1255 CA SER A 88 1.765 0.661 7.257 1.00 0.00 C ATOM 1256 C SER A 88 1.054 1.941 6.827 1.00 0.00 C ATOM 1257 O SER A 88 1.496 3.046 7.143 1.00 0.00 O ATOM 1258 CB SER A 88 1.147 0.133 8.553 1.00 0.00 C ATOM 1259 OG SER A 88 1.444 0.986 9.645 1.00 0.00 O ATOM 0 H SER A 88 3.441 1.337 8.321 1.00 0.00 H new ATOM 0 HA SER A 88 1.640 -0.085 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.066 0.049 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.524 -0.869 8.757 1.00 0.00 H new ATOM 0 HG SER A 88 1.036 0.627 10.461 1.00 0.00 H new ATOM 1265 N VAL A 89 -0.050 1.783 6.104 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.823 2.925 5.630 1.00 0.00 C ATOM 1267 C VAL A 89 -2.302 2.763 5.963 1.00 0.00 C ATOM 1268 O VAL A 89 -2.860 1.673 5.840 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.668 3.116 4.110 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -1.065 1.849 3.369 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.495 4.302 3.635 1.00 0.00 C ATOM 0 H VAL A 89 -0.429 0.876 5.834 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.433 3.805 6.140 1.00 0.00 H new ATOM 0 HB VAL A 89 0.380 3.322 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.949 2.003 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.426 1.025 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.105 1.609 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.374 4.422 2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.546 4.128 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.158 5.207 4.141 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.932 3.855 6.384 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.347 3.834 6.734 1.00 0.00 C ATOM 1283 C ASN A 90 -5.211 4.204 5.532 1.00 0.00 C ATOM 1284 O ASN A 90 -5.237 5.358 5.105 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.622 4.798 7.890 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.461 4.136 9.245 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -4.577 2.917 9.371 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -4.192 4.940 10.268 1.00 0.00 N ATOM 0 H ASN A 90 -2.485 4.765 6.491 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.604 2.821 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.943 5.648 7.821 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.634 5.191 7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.073 4.552 11.204 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.104 5.945 10.117 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.917 3.217 4.991 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.784 3.438 3.840 1.00 0.00 C ATOM 1297 C VAL A 91 -8.242 3.564 4.266 1.00 0.00 C ATOM 1298 O VAL A 91 -8.889 2.571 4.601 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.656 2.297 2.814 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.457 2.614 1.560 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -5.194 2.047 2.474 1.00 0.00 C ATOM 0 H VAL A 91 -5.906 2.256 5.332 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.463 4.371 3.376 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.063 1.387 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.355 1.796 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.508 2.738 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.083 3.535 1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.123 1.237 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.759 2.953 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.652 1.772 3.379 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.754 4.789 4.249 1.00 0.00 N ATOM 1312 CA ILE A 92 -10.138 5.044 4.632 1.00 0.00 C ATOM 1313 C ILE A 92 -11.031 5.185 3.404 1.00 0.00 C ATOM 1314 O ILE A 92 -10.659 5.830 2.423 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.259 6.317 5.490 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.431 6.177 6.769 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.717 6.594 5.824 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.910 7.495 7.299 1.00 0.00 C ATOM 0 H ILE A 92 -8.232 5.621 3.974 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.466 4.187 5.220 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.871 7.160 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.041 5.702 7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.588 5.514 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.786 7.497 6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.282 6.732 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.130 5.751 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.332 7.319 8.207 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.273 7.963 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.749 8.154 7.525 1.00 0.00 H new ATOM 1330 N VAL A 93 -12.212 4.579 3.465 1.00 0.00 N ATOM 1331 CA VAL A 93 -13.161 4.639 2.360 1.00 0.00 C ATOM 1332 C VAL A 93 -14.485 5.251 2.804 1.00 0.00 C ATOM 1333 O VAL A 93 -15.052 4.858 3.824 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.426 3.241 1.771 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.439 3.321 0.639 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -12.127 2.610 1.291 1.00 0.00 C ATOM 0 H VAL A 93 -12.535 4.040 4.269 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.713 5.270 1.592 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.843 2.609 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.613 2.324 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.376 3.728 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.054 3.969 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.333 1.623 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.679 3.239 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.437 2.516 2.129 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.973 6.215 2.032 1.00 0.00 N ATOM 1347 CA LYS A 94 -16.232 6.882 2.343 1.00 0.00 C ATOM 1348 C LYS A 94 -17.258 6.650 1.238 1.00 0.00 C ATOM 1349 O LYS A 94 -16.917 6.193 0.148 1.00 0.00 O ATOM 1350 CB LYS A 94 -16.004 8.383 2.536 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.224 8.723 3.794 1.00 0.00 C ATOM 1352 CD LYS A 94 -13.727 8.749 3.532 1.00 0.00 C ATOM 1353 CE LYS A 94 -12.983 9.494 4.629 1.00 0.00 C ATOM 1354 NZ LYS A 94 -13.174 10.967 4.528 1.00 0.00 N ATOM 0 H LYS A 94 -14.515 6.553 1.185 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.620 6.458 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.470 8.775 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.970 8.887 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.545 9.694 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.446 7.990 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.351 7.728 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.533 9.225 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.331 9.149 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.920 9.261 4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.488 11.449 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.028 11.269 3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.139 11.213 4.827 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.515 6.971 1.528 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.590 6.798 0.558 1.00 0.00 C ATOM 1370 C GLU A 95 -19.720 8.028 -0.336 1.00 0.00 C ATOM 1371 O GLU A 95 -19.271 9.117 0.022 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.916 6.532 1.274 1.00 0.00 C ATOM 1373 CG GLU A 95 -21.181 5.059 1.536 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.245 4.837 2.594 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.107 5.401 3.700 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -23.214 4.101 2.317 1.00 0.00 O ATOM 0 H GLU A 95 -18.814 7.352 2.426 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.345 5.940 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.921 7.068 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.731 6.938 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.491 4.579 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.255 4.577 1.850 1.00 0.00 H new