USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 598 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 79 HIS : no HD1:sc= -3.17! C(o=-2.9!,f=-3.2!) USER MOD Set 1.2: A 83 SER OG : rot -58:sc= 0.292 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -3.26 K(o=-3.3,f=-5.8!) USER MOD Set 3.1: A 34 SER OG : rot 35:sc= 0.737 USER MOD Set 3.2: A 36 HIS : no HD1:sc= -0.0358 X(o=0.7,f=0.7) USER MOD Set 4.1: A 33 MET CE :methyl 180:sc= -2.78 (180deg=-2.29) USER MOD Set 4.2: A 57 HIS : no HE2:sc= -1.75 K(o=-4.5,f=-6.6) USER MOD Set 5.1: A 22 ASN : amide:sc= -0.687 K(o=-1.4,f=-0.65) USER MOD Set 5.2: A 52 MET CE :methyl 150:sc= -0.192 (180deg=0) USER MOD Set 5.3: A 58 CYS SG : rot -160:sc= -0.49 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -148:sc= -0.165 (180deg=-1.16) USER MOD Single : A 29 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.6!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0323 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.15 K(o=-3.2,f=-0.77) USER MOD Single : A 56 SER OG : rot 43:sc= 0.375 USER MOD Single : A 64 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.36) USER MOD Single : A 66 MET CE :methyl -157:sc= -1.93! (180deg=-2.53!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 144:sc= -3.45! (180deg=-4.64!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -5.05! C(o=-5!,f=-11!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc=-0.00285 X(o=-0.0028,f=-0.35) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0697 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.801 -5.830 -4.793 1.00 0.00 N ATOM 142 CA ALA A 13 -2.405 -6.146 -4.517 1.00 0.00 C ATOM 143 C ALA A 13 -2.123 -7.628 -4.740 1.00 0.00 C ATOM 144 O ALA A 13 -2.979 -8.478 -4.494 1.00 0.00 O ATOM 145 CB ALA A 13 -2.045 -5.747 -3.093 1.00 0.00 C ATOM 0 HA ALA A 13 -1.786 -5.577 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.000 -5.989 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.199 -4.676 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.678 -6.291 -2.392 1.00 0.00 H new ATOM 151 N THR A 14 -0.917 -7.932 -5.209 1.00 0.00 N ATOM 152 CA THR A 14 -0.523 -9.311 -5.468 1.00 0.00 C ATOM 153 C THR A 14 0.426 -9.823 -4.390 1.00 0.00 C ATOM 154 O THR A 14 1.131 -9.044 -3.748 1.00 0.00 O ATOM 155 CB THR A 14 0.156 -9.453 -6.843 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.697 -8.930 -7.867 1.00 0.00 O ATOM 157 CG2 THR A 14 0.479 -10.909 -7.140 1.00 0.00 C ATOM 0 H THR A 14 -0.196 -7.241 -5.417 1.00 0.00 H new ATOM 0 HA THR A 14 -1.435 -9.907 -5.459 1.00 0.00 H new ATOM 0 HB THR A 14 1.088 -8.888 -6.823 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.257 -9.022 -8.738 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.958 -10.984 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.152 -11.296 -6.375 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.441 -11.493 -7.142 1.00 0.00 H new ATOM 165 N VAL A 15 0.441 -11.138 -4.197 1.00 0.00 N ATOM 166 CA VAL A 15 1.305 -11.755 -3.198 1.00 0.00 C ATOM 167 C VAL A 15 2.743 -11.846 -3.696 1.00 0.00 C ATOM 168 O VAL A 15 2.990 -12.182 -4.853 1.00 0.00 O ATOM 169 CB VAL A 15 0.813 -13.165 -2.823 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.685 -14.034 -4.065 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.749 -13.804 -1.809 1.00 0.00 C ATOM 0 H VAL A 15 -0.136 -11.797 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 15 1.269 -11.119 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.173 -13.077 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.336 -15.027 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.029 -13.582 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.656 -14.117 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.386 -14.800 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.749 -13.880 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.784 -13.191 -0.909 1.00 0.00 H new ATOM 181 N GLY A 16 3.690 -11.544 -2.813 1.00 0.00 N ATOM 182 CA GLY A 16 5.093 -11.599 -3.182 1.00 0.00 C ATOM 183 C GLY A 16 5.530 -10.386 -3.979 1.00 0.00 C ATOM 184 O GLY A 16 6.599 -9.827 -3.736 1.00 0.00 O ATOM 0 H GLY A 16 3.511 -11.262 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.700 -11.675 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.277 -12.500 -3.767 1.00 0.00 H new ATOM 188 N SER A 17 4.702 -9.980 -4.936 1.00 0.00 N ATOM 189 CA SER A 17 5.012 -8.829 -5.777 1.00 0.00 C ATOM 190 C SER A 17 4.980 -7.538 -4.964 1.00 0.00 C ATOM 191 O SER A 17 4.102 -7.343 -4.124 1.00 0.00 O ATOM 192 CB SER A 17 4.020 -8.737 -6.938 1.00 0.00 C ATOM 193 OG SER A 17 3.997 -9.942 -7.685 1.00 0.00 O ATOM 0 H SER A 17 3.812 -10.430 -5.149 1.00 0.00 H new ATOM 0 HA SER A 17 6.017 -8.963 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.023 -8.525 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.293 -7.907 -7.589 1.00 0.00 H new ATOM 0 HG SER A 17 3.354 -9.859 -8.420 1.00 0.00 H new ATOM 199 N ILE A 18 5.945 -6.661 -5.220 1.00 0.00 N ATOM 200 CA ILE A 18 6.028 -5.389 -4.514 1.00 0.00 C ATOM 201 C ILE A 18 4.810 -4.518 -4.805 1.00 0.00 C ATOM 202 O ILE A 18 4.462 -4.288 -5.963 1.00 0.00 O ATOM 203 CB ILE A 18 7.302 -4.614 -4.897 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.543 -5.470 -4.636 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.381 -3.308 -4.122 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.720 -5.851 -3.182 1.00 0.00 C ATOM 0 H ILE A 18 6.680 -6.808 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 18 6.060 -5.621 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 18 7.261 -4.380 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.481 -6.378 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.426 -4.926 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.287 -2.772 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.510 -2.695 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.403 -3.520 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.619 -6.457 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.814 -4.948 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.854 -6.422 -2.848 1.00 0.00 H new ATOM 218 N CYS A 19 4.169 -4.035 -3.747 1.00 0.00 N ATOM 219 CA CYS A 19 2.990 -3.188 -3.888 1.00 0.00 C ATOM 220 C CYS A 19 3.376 -1.713 -3.870 1.00 0.00 C ATOM 221 O CYS A 19 4.022 -1.241 -2.935 1.00 0.00 O ATOM 222 CB CYS A 19 1.989 -3.480 -2.769 1.00 0.00 C ATOM 223 SG CYS A 19 0.383 -2.678 -2.987 1.00 0.00 S ATOM 0 H CYS A 19 4.446 -4.215 -2.782 1.00 0.00 H new ATOM 0 HA CYS A 19 2.525 -3.412 -4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.839 -4.558 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.418 -3.159 -1.820 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.395 -2.986 -1.992 1.00 0.00 H new ATOM 229 N ASP A 20 2.976 -0.989 -4.911 1.00 0.00 N ATOM 230 CA ASP A 20 3.280 0.433 -5.015 1.00 0.00 C ATOM 231 C ASP A 20 2.034 1.275 -4.761 1.00 0.00 C ATOM 232 O ASP A 20 1.006 1.095 -5.414 1.00 0.00 O ATOM 233 CB ASP A 20 3.855 0.753 -6.396 1.00 0.00 C ATOM 234 CG ASP A 20 4.769 -0.341 -6.911 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.509 -0.929 -6.095 1.00 0.00 O ATOM 236 OD2 ASP A 20 4.744 -0.609 -8.130 1.00 0.00 O ATOM 0 H ASP A 20 2.441 -1.364 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 20 4.022 0.678 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.037 0.901 -7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.408 1.691 -6.348 1.00 0.00 H new ATOM 241 N LEU A 21 2.133 2.195 -3.807 1.00 0.00 N ATOM 242 CA LEU A 21 1.013 3.065 -3.465 1.00 0.00 C ATOM 243 C LEU A 21 1.284 4.500 -3.906 1.00 0.00 C ATOM 244 O LEU A 21 2.064 5.216 -3.278 1.00 0.00 O ATOM 245 CB LEU A 21 0.751 3.023 -1.959 1.00 0.00 C ATOM 246 CG LEU A 21 -0.697 3.249 -1.523 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.566 2.066 -1.924 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.772 3.483 -0.021 1.00 0.00 C ATOM 0 H LEU A 21 2.977 2.357 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 21 0.130 2.703 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.076 2.054 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.375 3.778 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.074 4.138 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.593 2.245 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.538 1.944 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.191 1.161 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.810 3.642 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.377 2.613 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.183 4.362 0.240 1.00 0.00 H new ATOM 260 N ASN A 22 0.634 4.914 -4.988 1.00 0.00 N ATOM 261 CA ASN A 22 0.804 6.265 -5.512 1.00 0.00 C ATOM 262 C ASN A 22 -0.149 7.239 -4.825 1.00 0.00 C ATOM 263 O ASN A 22 -1.364 7.035 -4.817 1.00 0.00 O ATOM 264 CB ASN A 22 0.566 6.282 -7.023 1.00 0.00 C ATOM 265 CG ASN A 22 1.213 5.102 -7.724 1.00 0.00 C ATOM 266 OD1 ASN A 22 2.317 5.213 -8.257 1.00 0.00 O ATOM 267 ND2 ASN A 22 0.526 3.966 -7.725 1.00 0.00 N ATOM 0 H ASN A 22 -0.015 4.334 -5.519 1.00 0.00 H new ATOM 0 HA ASN A 22 1.827 6.581 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.506 6.274 -7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.960 7.209 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.910 3.138 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.386 3.921 -7.270 1.00 0.00 H new ATOM 274 N LEU A 23 0.410 8.297 -4.250 1.00 0.00 N ATOM 275 CA LEU A 23 -0.389 9.304 -3.560 1.00 0.00 C ATOM 276 C LEU A 23 0.024 10.711 -3.983 1.00 0.00 C ATOM 277 O LEU A 23 1.169 11.119 -3.787 1.00 0.00 O ATOM 278 CB LEU A 23 -0.242 9.151 -2.046 1.00 0.00 C ATOM 279 CG LEU A 23 -1.080 8.048 -1.398 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.388 7.512 -0.155 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.470 8.565 -1.056 1.00 0.00 C ATOM 0 H LEU A 23 1.413 8.480 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.433 9.154 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.808 8.962 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.503 10.100 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.184 7.231 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.999 6.728 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.585 7.102 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.252 8.321 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.052 7.767 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.387 9.400 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.968 8.899 -1.966 1.00 0.00 H new ATOM 293 N LYS A 24 -0.917 11.449 -4.562 1.00 0.00 N ATOM 294 CA LYS A 24 -0.654 12.811 -5.010 1.00 0.00 C ATOM 295 C LYS A 24 -1.153 13.826 -3.987 1.00 0.00 C ATOM 296 O LYS A 24 -2.333 14.178 -3.973 1.00 0.00 O ATOM 297 CB LYS A 24 -1.322 13.064 -6.363 1.00 0.00 C ATOM 298 CG LYS A 24 -1.709 14.515 -6.589 1.00 0.00 C ATOM 299 CD LYS A 24 -1.664 14.881 -8.063 1.00 0.00 C ATOM 300 CE LYS A 24 -2.887 14.364 -8.804 1.00 0.00 C ATOM 301 NZ LYS A 24 -2.766 12.916 -9.133 1.00 0.00 N ATOM 0 H LYS A 24 -1.869 11.126 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 24 0.424 12.929 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.645 12.749 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.214 12.443 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.712 14.690 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.034 15.164 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.605 15.964 -8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.762 14.467 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.776 14.525 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.023 14.935 -9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.262 12.720 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.762 12.666 -9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.190 12.350 -8.370 1.00 0.00 H new ATOM 315 N ILE A 25 -0.248 14.295 -3.135 1.00 0.00 N ATOM 316 CA ILE A 25 -0.597 15.271 -2.110 1.00 0.00 C ATOM 317 C ILE A 25 0.550 16.246 -1.867 1.00 0.00 C ATOM 318 O ILE A 25 1.555 15.916 -1.236 1.00 0.00 O ATOM 319 CB ILE A 25 -0.965 14.586 -0.781 1.00 0.00 C ATOM 320 CG1 ILE A 25 -2.075 13.556 -1.003 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.394 15.622 0.248 1.00 0.00 C ATOM 322 CD1 ILE A 25 -2.241 12.590 0.149 1.00 0.00 C ATOM 0 H ILE A 25 0.733 14.015 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.465 15.819 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.085 14.067 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.017 14.079 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.861 12.993 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.651 15.122 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.576 16.321 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.263 16.166 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.045 11.889 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.312 12.040 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.486 13.143 1.055 1.00 0.00 H new ATOM 334 N PRO A 26 0.398 17.478 -2.376 1.00 0.00 N ATOM 335 CA PRO A 26 1.411 18.527 -2.224 1.00 0.00 C ATOM 336 C PRO A 26 1.516 19.028 -0.787 1.00 0.00 C ATOM 337 O PRO A 26 2.600 19.371 -0.319 1.00 0.00 O ATOM 338 CB PRO A 26 0.906 19.642 -3.143 1.00 0.00 C ATOM 339 CG PRO A 26 -0.566 19.427 -3.226 1.00 0.00 C ATOM 340 CD PRO A 26 -0.773 17.941 -3.138 1.00 0.00 C ATOM 0 HA PRO A 26 2.410 18.169 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.140 20.626 -2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.371 19.585 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.082 19.942 -2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.966 19.822 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.706 17.695 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.817 17.482 -4.126 1.00 0.00 H new ATOM 348 N GLU A 27 0.382 19.065 -0.094 1.00 0.00 N ATOM 349 CA GLU A 27 0.349 19.524 1.290 1.00 0.00 C ATOM 350 C GLU A 27 1.240 18.656 2.173 1.00 0.00 C ATOM 351 O GLU A 27 2.041 19.166 2.956 1.00 0.00 O ATOM 352 CB GLU A 27 -1.086 19.508 1.821 1.00 0.00 C ATOM 353 CG GLU A 27 -1.316 20.462 2.981 1.00 0.00 C ATOM 354 CD GLU A 27 -2.662 20.255 3.649 1.00 0.00 C ATOM 355 OE1 GLU A 27 -3.677 20.729 3.099 1.00 0.00 O ATOM 356 OE2 GLU A 27 -2.698 19.617 4.722 1.00 0.00 O ATOM 0 H GLU A 27 -0.524 18.783 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 27 0.727 20.546 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.768 19.765 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.336 18.496 2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.524 20.329 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.247 21.489 2.621 1.00 0.00 H new ATOM 363 N ILE A 28 1.093 17.342 2.040 1.00 0.00 N ATOM 364 CA ILE A 28 1.885 16.402 2.825 1.00 0.00 C ATOM 365 C ILE A 28 3.168 16.021 2.096 1.00 0.00 C ATOM 366 O ILE A 28 3.217 16.014 0.867 1.00 0.00 O ATOM 367 CB ILE A 28 1.088 15.123 3.143 1.00 0.00 C ATOM 368 CG1 ILE A 28 -0.191 15.469 3.908 1.00 0.00 C ATOM 369 CG2 ILE A 28 1.943 14.151 3.942 1.00 0.00 C ATOM 370 CD1 ILE A 28 -1.241 14.381 3.853 1.00 0.00 C ATOM 0 H ILE A 28 0.434 16.904 1.397 1.00 0.00 H new ATOM 0 HA ILE A 28 2.137 16.904 3.759 1.00 0.00 H new ATOM 0 HB ILE A 28 0.809 14.644 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.061 15.667 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.611 16.389 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.366 13.252 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.827 13.884 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.250 14.620 4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.120 14.695 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.521 14.198 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.839 13.465 4.287 1.00 0.00 H new ATOM 382 N ASN A 29 4.206 15.703 2.863 1.00 0.00 N ATOM 383 CA ASN A 29 5.491 15.318 2.290 1.00 0.00 C ATOM 384 C ASN A 29 5.906 13.930 2.767 1.00 0.00 C ATOM 385 O ASN A 29 5.732 13.587 3.937 1.00 0.00 O ATOM 386 CB ASN A 29 6.566 16.341 2.663 1.00 0.00 C ATOM 387 CG ASN A 29 6.671 17.464 1.649 1.00 0.00 C ATOM 388 OD1 ASN A 29 5.889 17.536 0.701 1.00 0.00 O ATOM 389 ND2 ASN A 29 7.642 18.349 1.845 1.00 0.00 N ATOM 0 H ASN A 29 4.182 15.704 3.883 1.00 0.00 H new ATOM 0 HA ASN A 29 5.384 15.292 1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.340 16.760 3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.530 15.838 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.762 19.127 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.268 18.251 2.644 1.00 0.00 H new ATOM 396 N SER A 30 6.458 13.137 1.855 1.00 0.00 N ATOM 397 CA SER A 30 6.895 11.785 2.182 1.00 0.00 C ATOM 398 C SER A 30 7.781 11.786 3.424 1.00 0.00 C ATOM 399 O SER A 30 7.600 10.972 4.329 1.00 0.00 O ATOM 400 CB SER A 30 7.653 11.172 1.002 1.00 0.00 C ATOM 401 OG SER A 30 8.804 11.934 0.684 1.00 0.00 O ATOM 0 H SER A 30 6.613 13.407 0.884 1.00 0.00 H new ATOM 0 HA SER A 30 6.010 11.184 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.945 10.150 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.997 11.118 0.133 1.00 0.00 H new ATOM 0 HG SER A 30 9.271 11.521 -0.072 1.00 0.00 H new ATOM 407 N SER A 31 8.740 12.706 3.458 1.00 0.00 N ATOM 408 CA SER A 31 9.657 12.812 4.587 1.00 0.00 C ATOM 409 C SER A 31 8.892 12.997 5.894 1.00 0.00 C ATOM 410 O SER A 31 9.240 12.410 6.918 1.00 0.00 O ATOM 411 CB SER A 31 10.623 13.981 4.378 1.00 0.00 C ATOM 412 OG SER A 31 11.262 13.895 3.117 1.00 0.00 O ATOM 0 H SER A 31 8.902 13.388 2.717 1.00 0.00 H new ATOM 0 HA SER A 31 10.227 11.885 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.080 14.923 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.372 13.984 5.170 1.00 0.00 H new ATOM 0 HG SER A 31 11.872 14.654 3.007 1.00 0.00 H new ATOM 418 N ASP A 32 7.848 13.818 5.849 1.00 0.00 N ATOM 419 CA ASP A 32 7.031 14.081 7.029 1.00 0.00 C ATOM 420 C ASP A 32 5.875 13.091 7.120 1.00 0.00 C ATOM 421 O ASP A 32 4.842 13.382 7.723 1.00 0.00 O ATOM 422 CB ASP A 32 6.493 15.512 6.994 1.00 0.00 C ATOM 423 CG ASP A 32 7.442 16.504 7.635 1.00 0.00 C ATOM 424 OD1 ASP A 32 7.724 16.360 8.844 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.905 17.424 6.929 1.00 0.00 O ATOM 0 H ASP A 32 7.548 14.313 5.009 1.00 0.00 H new ATOM 0 HA ASP A 32 7.660 13.960 7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.312 15.804 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.533 15.548 7.508 1.00 0.00 H new ATOM 430 N MET A 33 6.056 11.920 6.518 1.00 0.00 N ATOM 431 CA MET A 33 5.027 10.887 6.532 1.00 0.00 C ATOM 432 C MET A 33 5.552 9.604 7.169 1.00 0.00 C ATOM 433 O MET A 33 6.746 9.482 7.447 1.00 0.00 O ATOM 434 CB MET A 33 4.541 10.601 5.110 1.00 0.00 C ATOM 435 CG MET A 33 3.424 11.526 4.652 1.00 0.00 C ATOM 436 SD MET A 33 2.317 10.743 3.464 1.00 0.00 S ATOM 437 CE MET A 33 3.497 10.036 2.317 1.00 0.00 C ATOM 0 H MET A 33 6.905 11.663 6.015 1.00 0.00 H new ATOM 0 HA MET A 33 4.191 11.252 7.128 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.382 10.692 4.422 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.193 9.569 5.054 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.849 11.852 5.519 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.858 12.420 4.204 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.964 9.516 1.521 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.107 10.830 1.887 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.139 9.331 2.844 1.00 0.00 H new ATOM 447 N SER A 34 4.655 8.651 7.399 1.00 0.00 N ATOM 448 CA SER A 34 5.028 7.380 8.007 1.00 0.00 C ATOM 449 C SER A 34 4.021 6.290 7.651 1.00 0.00 C ATOM 450 O SER A 34 2.870 6.328 8.084 1.00 0.00 O ATOM 451 CB SER A 34 5.122 7.525 9.527 1.00 0.00 C ATOM 452 OG SER A 34 3.878 7.918 10.080 1.00 0.00 O ATOM 0 H SER A 34 3.664 8.735 7.173 1.00 0.00 H new ATOM 0 HA SER A 34 6.003 7.092 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.436 6.579 9.967 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.884 8.262 9.779 1.00 0.00 H new ATOM 0 HG SER A 34 3.149 7.502 9.574 1.00 0.00 H new ATOM 458 N ALA A 35 4.464 5.320 6.858 1.00 0.00 N ATOM 459 CA ALA A 35 3.603 4.219 6.444 1.00 0.00 C ATOM 460 C ALA A 35 3.899 2.959 7.249 1.00 0.00 C ATOM 461 O ALA A 35 5.058 2.640 7.519 1.00 0.00 O ATOM 462 CB ALA A 35 3.772 3.948 4.956 1.00 0.00 C ATOM 0 H ALA A 35 5.414 5.274 6.489 1.00 0.00 H new ATOM 0 HA ALA A 35 2.569 4.507 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.123 3.123 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.504 4.841 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.810 3.685 4.750 1.00 0.00 H new ATOM 468 N HIS A 36 2.845 2.245 7.632 1.00 0.00 N ATOM 469 CA HIS A 36 2.992 1.019 8.408 1.00 0.00 C ATOM 470 C HIS A 36 2.130 -0.098 7.827 1.00 0.00 C ATOM 471 O HIS A 36 0.905 0.015 7.770 1.00 0.00 O ATOM 472 CB HIS A 36 2.612 1.266 9.868 1.00 0.00 C ATOM 473 CG HIS A 36 3.327 2.429 10.485 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.725 3.650 10.706 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.599 2.551 10.929 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.598 4.474 11.258 1.00 0.00 C ATOM 477 NE2 HIS A 36 4.743 3.831 11.405 1.00 0.00 N ATOM 0 H HIS A 36 1.880 2.495 7.417 1.00 0.00 H new ATOM 0 HA HIS A 36 4.036 0.710 8.360 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.537 1.436 9.931 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.828 0.368 10.448 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.360 1.784 10.912 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.408 5.499 11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.595 4.222 11.807 1.00 0.00 H new ATOM 486 N VAL A 37 2.777 -1.176 7.397 1.00 0.00 N ATOM 487 CA VAL A 37 2.070 -2.313 6.821 1.00 0.00 C ATOM 488 C VAL A 37 1.585 -3.267 7.907 1.00 0.00 C ATOM 489 O VAL A 37 2.332 -4.129 8.372 1.00 0.00 O ATOM 490 CB VAL A 37 2.963 -3.089 5.834 1.00 0.00 C ATOM 491 CG1 VAL A 37 2.256 -4.344 5.347 1.00 0.00 C ATOM 492 CG2 VAL A 37 3.359 -2.201 4.664 1.00 0.00 C ATOM 0 H VAL A 37 3.790 -1.286 7.437 1.00 0.00 H new ATOM 0 HA VAL A 37 1.211 -1.911 6.284 1.00 0.00 H new ATOM 0 HB VAL A 37 3.872 -3.393 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.902 -4.879 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.028 -4.987 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.330 -4.068 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.990 -2.765 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.463 -1.866 4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.909 -1.336 5.034 1.00 0.00 H new ATOM 502 N THR A 38 0.328 -3.107 8.309 1.00 0.00 N ATOM 503 CA THR A 38 -0.257 -3.953 9.342 1.00 0.00 C ATOM 504 C THR A 38 -0.800 -5.248 8.749 1.00 0.00 C ATOM 505 O THR A 38 -1.365 -5.253 7.656 1.00 0.00 O ATOM 506 CB THR A 38 -1.394 -3.226 10.085 1.00 0.00 C ATOM 507 OG1 THR A 38 -0.936 -1.954 10.557 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.892 -4.058 11.258 1.00 0.00 C ATOM 0 H THR A 38 -0.304 -2.399 7.935 1.00 0.00 H new ATOM 0 HA THR A 38 0.539 -4.186 10.049 1.00 0.00 H new ATOM 0 HB THR A 38 -2.219 -3.079 9.387 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.665 -1.497 11.027 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.695 -3.525 11.768 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.267 -5.014 10.893 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.072 -4.232 11.955 1.00 0.00 H new ATOM 516 N SER A 39 -0.625 -6.346 9.479 1.00 0.00 N ATOM 517 CA SER A 39 -1.095 -7.649 9.023 1.00 0.00 C ATOM 518 C SER A 39 -2.389 -8.038 9.731 1.00 0.00 C ATOM 519 O SER A 39 -2.680 -7.587 10.839 1.00 0.00 O ATOM 520 CB SER A 39 -0.025 -8.715 9.270 1.00 0.00 C ATOM 521 OG SER A 39 0.878 -8.793 8.181 1.00 0.00 O ATOM 0 H SER A 39 -0.162 -6.359 10.388 1.00 0.00 H new ATOM 0 HA SER A 39 -1.292 -7.583 7.953 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.522 -8.481 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.501 -9.684 9.422 1.00 0.00 H new ATOM 0 HG SER A 39 1.553 -9.480 8.364 1.00 0.00 H new ATOM 527 N PRO A 40 -3.186 -8.895 9.076 1.00 0.00 N ATOM 528 CA PRO A 40 -4.462 -9.365 9.623 1.00 0.00 C ATOM 529 C PRO A 40 -4.274 -10.297 10.816 1.00 0.00 C ATOM 530 O PRO A 40 -5.246 -10.768 11.406 1.00 0.00 O ATOM 531 CB PRO A 40 -5.095 -10.118 8.450 1.00 0.00 C ATOM 532 CG PRO A 40 -3.942 -10.550 7.611 1.00 0.00 C ATOM 533 CD PRO A 40 -2.902 -9.473 7.752 1.00 0.00 C ATOM 0 HA PRO A 40 -5.072 -8.543 9.999 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.676 -10.973 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.775 -9.477 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.555 -11.513 7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.240 -10.671 6.570 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.892 -9.880 7.700 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.986 -8.727 6.962 1.00 0.00 H new ATOM 541 N SER A 41 -3.019 -10.558 11.164 1.00 0.00 N ATOM 542 CA SER A 41 -2.704 -11.437 12.285 1.00 0.00 C ATOM 543 C SER A 41 -2.221 -10.632 13.487 1.00 0.00 C ATOM 544 O SER A 41 -2.246 -11.111 14.620 1.00 0.00 O ATOM 545 CB SER A 41 -1.637 -12.456 11.877 1.00 0.00 C ATOM 546 OG SER A 41 -0.414 -11.815 11.561 1.00 0.00 O ATOM 0 H SER A 41 -2.203 -10.174 10.687 1.00 0.00 H new ATOM 0 HA SER A 41 -3.614 -11.967 12.566 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.480 -13.167 12.688 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.985 -13.027 11.016 1.00 0.00 H new ATOM 0 HG SER A 41 0.251 -12.488 11.305 1.00 0.00 H new ATOM 552 N GLY A 42 -1.781 -9.404 13.231 1.00 0.00 N ATOM 553 CA GLY A 42 -1.298 -8.551 14.301 1.00 0.00 C ATOM 554 C GLY A 42 0.164 -8.184 14.136 1.00 0.00 C ATOM 555 O GLY A 42 0.854 -7.898 15.114 1.00 0.00 O ATOM 0 H GLY A 42 -1.750 -8.985 12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.896 -7.641 14.334 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.437 -9.058 15.256 1.00 0.00 H new ATOM 559 N ARG A 43 0.637 -8.193 12.894 1.00 0.00 N ATOM 560 CA ARG A 43 2.027 -7.862 12.604 1.00 0.00 C ATOM 561 C ARG A 43 2.118 -6.617 11.725 1.00 0.00 C ATOM 562 O ARG A 43 1.687 -6.626 10.572 1.00 0.00 O ATOM 563 CB ARG A 43 2.721 -9.038 11.914 1.00 0.00 C ATOM 564 CG ARG A 43 4.198 -8.800 11.644 1.00 0.00 C ATOM 565 CD ARG A 43 4.685 -9.615 10.455 1.00 0.00 C ATOM 566 NE ARG A 43 4.965 -11.001 10.819 1.00 0.00 N ATOM 567 CZ ARG A 43 5.237 -11.953 9.933 1.00 0.00 C ATOM 568 NH1 ARG A 43 5.266 -11.669 8.638 1.00 0.00 N ATOM 569 NH2 ARG A 43 5.481 -13.191 10.342 1.00 0.00 N ATOM 0 H ARG A 43 0.078 -8.426 12.073 1.00 0.00 H new ATOM 0 HA ARG A 43 2.530 -7.656 13.549 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.612 -9.928 12.534 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.216 -9.244 10.970 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.368 -7.740 11.454 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.778 -9.063 12.529 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.932 -9.592 9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.587 -9.158 10.047 1.00 0.00 H new ATOM 0 HE ARG A 43 4.951 -11.252 11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.079 -10.718 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.475 -12.402 7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.460 -13.413 11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.690 -13.921 9.661 1.00 0.00 H new ATOM 583 N VAL A 44 2.681 -5.548 12.279 1.00 0.00 N ATOM 584 CA VAL A 44 2.828 -4.296 11.546 1.00 0.00 C ATOM 585 C VAL A 44 4.293 -3.884 11.452 1.00 0.00 C ATOM 586 O VAL A 44 5.037 -3.965 12.430 1.00 0.00 O ATOM 587 CB VAL A 44 2.028 -3.160 12.210 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.414 -3.019 13.675 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.245 -1.851 11.466 1.00 0.00 C ATOM 0 H VAL A 44 3.043 -5.524 13.232 1.00 0.00 H new ATOM 0 HA VAL A 44 2.437 -4.468 10.543 1.00 0.00 H new ATOM 0 HB VAL A 44 0.968 -3.409 12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.838 -2.211 14.127 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.203 -3.952 14.198 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.478 -2.793 13.751 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.672 -1.059 11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.304 -1.595 11.482 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.914 -1.960 10.433 1.00 0.00 H new ATOM 599 N THR A 45 4.702 -3.440 10.267 1.00 0.00 N ATOM 600 CA THR A 45 6.078 -3.016 10.044 1.00 0.00 C ATOM 601 C THR A 45 6.130 -1.625 9.422 1.00 0.00 C ATOM 602 O THR A 45 5.113 -1.097 8.975 1.00 0.00 O ATOM 603 CB THR A 45 6.829 -4.002 9.130 1.00 0.00 C ATOM 604 OG1 THR A 45 6.043 -4.289 7.968 1.00 0.00 O ATOM 605 CG2 THR A 45 7.140 -5.295 9.869 1.00 0.00 C ATOM 0 H THR A 45 4.099 -3.365 9.447 1.00 0.00 H new ATOM 0 HA THR A 45 6.564 -2.994 11.019 1.00 0.00 H new ATOM 0 HB THR A 45 7.768 -3.539 8.828 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.528 -4.915 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.671 -5.976 9.203 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.763 -5.077 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.210 -5.759 10.197 1.00 0.00 H new ATOM 613 N GLU A 46 7.322 -1.037 9.397 1.00 0.00 N ATOM 614 CA GLU A 46 7.505 0.294 8.829 1.00 0.00 C ATOM 615 C GLU A 46 7.804 0.212 7.335 1.00 0.00 C ATOM 616 O GLU A 46 8.707 -0.508 6.910 1.00 0.00 O ATOM 617 CB GLU A 46 8.640 1.027 9.548 1.00 0.00 C ATOM 618 CG GLU A 46 8.628 2.530 9.329 1.00 0.00 C ATOM 619 CD GLU A 46 9.704 3.244 10.123 1.00 0.00 C ATOM 620 OE1 GLU A 46 9.430 3.631 11.279 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.820 3.417 9.590 1.00 0.00 O ATOM 0 H GLU A 46 8.175 -1.461 9.763 1.00 0.00 H new ATOM 0 HA GLU A 46 6.578 0.850 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.573 0.823 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.594 0.626 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.765 2.740 8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.652 2.926 9.609 1.00 0.00 H new ATOM 628 N ALA A 47 7.037 0.953 6.543 1.00 0.00 N ATOM 629 CA ALA A 47 7.219 0.966 5.097 1.00 0.00 C ATOM 630 C ALA A 47 8.042 2.172 4.658 1.00 0.00 C ATOM 631 O ALA A 47 8.200 3.134 5.410 1.00 0.00 O ATOM 632 CB ALA A 47 5.869 0.963 4.395 1.00 0.00 C ATOM 0 H ALA A 47 6.283 1.553 6.878 1.00 0.00 H new ATOM 0 HA ALA A 47 7.764 0.065 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.020 0.973 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.315 0.067 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.303 1.847 4.690 1.00 0.00 H new ATOM 638 N GLU A 48 8.565 2.113 3.437 1.00 0.00 N ATOM 639 CA GLU A 48 9.374 3.201 2.900 1.00 0.00 C ATOM 640 C GLU A 48 8.594 3.996 1.858 1.00 0.00 C ATOM 641 O GLU A 48 7.810 3.434 1.092 1.00 0.00 O ATOM 642 CB GLU A 48 10.661 2.652 2.281 1.00 0.00 C ATOM 643 CG GLU A 48 11.457 3.691 1.510 1.00 0.00 C ATOM 644 CD GLU A 48 12.760 3.140 0.962 1.00 0.00 C ATOM 645 OE1 GLU A 48 13.752 3.098 1.719 1.00 0.00 O ATOM 646 OE2 GLU A 48 12.786 2.751 -0.224 1.00 0.00 O ATOM 0 H GLU A 48 8.443 1.324 2.802 1.00 0.00 H new ATOM 0 HA GLU A 48 9.631 3.868 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.288 2.240 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.410 1.829 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.852 4.069 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.671 4.537 2.163 1.00 0.00 H new ATOM 653 N ILE A 49 8.813 5.307 1.835 1.00 0.00 N ATOM 654 CA ILE A 49 8.131 6.179 0.887 1.00 0.00 C ATOM 655 C ILE A 49 9.097 6.704 -0.169 1.00 0.00 C ATOM 656 O ILE A 49 9.685 7.774 -0.011 1.00 0.00 O ATOM 657 CB ILE A 49 7.467 7.372 1.598 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.583 6.882 2.747 1.00 0.00 C ATOM 659 CG2 ILE A 49 6.652 8.192 0.608 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.425 7.893 3.861 1.00 0.00 C ATOM 0 H ILE A 49 9.458 5.788 2.462 1.00 0.00 H new ATOM 0 HA ILE A 49 7.360 5.579 0.404 1.00 0.00 H new ATOM 0 HB ILE A 49 8.248 8.010 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.598 6.629 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.008 5.966 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.189 9.032 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.306 8.567 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.877 7.565 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.786 7.478 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.403 8.128 4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.971 8.802 3.466 1.00 0.00 H new ATOM 672 N VAL A 50 9.255 5.945 -1.249 1.00 0.00 N ATOM 673 CA VAL A 50 10.148 6.335 -2.334 1.00 0.00 C ATOM 674 C VAL A 50 9.727 7.670 -2.939 1.00 0.00 C ATOM 675 O VAL A 50 8.564 7.885 -3.280 1.00 0.00 O ATOM 676 CB VAL A 50 10.181 5.268 -3.444 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.055 5.728 -4.601 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.671 3.939 -2.891 1.00 0.00 C ATOM 0 H VAL A 50 8.776 5.056 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 50 11.145 6.433 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 50 9.167 5.128 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.066 4.961 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.655 6.654 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.071 5.898 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.688 3.197 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.676 4.061 -2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.001 3.605 -2.099 1.00 0.00 H new ATOM 688 N PRO A 51 10.694 8.588 -3.076 1.00 0.00 N ATOM 689 CA PRO A 51 10.448 9.918 -3.642 1.00 0.00 C ATOM 690 C PRO A 51 10.150 9.867 -5.136 1.00 0.00 C ATOM 691 O PRO A 51 11.056 9.963 -5.963 1.00 0.00 O ATOM 692 CB PRO A 51 11.762 10.661 -3.384 1.00 0.00 C ATOM 693 CG PRO A 51 12.793 9.590 -3.298 1.00 0.00 C ATOM 694 CD PRO A 51 12.103 8.399 -2.691 1.00 0.00 C ATOM 0 HA PRO A 51 9.576 10.396 -3.195 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.985 11.361 -4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.715 11.240 -2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.190 9.350 -4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.636 9.908 -2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.503 7.462 -3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.224 8.373 -1.608 1.00 0.00 H new ATOM 702 N MET A 52 8.874 9.714 -5.475 1.00 0.00 N ATOM 703 CA MET A 52 8.457 9.652 -6.871 1.00 0.00 C ATOM 704 C MET A 52 8.779 10.956 -7.594 1.00 0.00 C ATOM 705 O MET A 52 9.574 10.976 -8.532 1.00 0.00 O ATOM 706 CB MET A 52 6.958 9.360 -6.965 1.00 0.00 C ATOM 707 CG MET A 52 6.629 7.877 -7.021 1.00 0.00 C ATOM 708 SD MET A 52 6.743 7.203 -8.690 1.00 0.00 S ATOM 709 CE MET A 52 5.892 5.641 -8.484 1.00 0.00 C ATOM 0 H MET A 52 8.111 9.631 -4.803 1.00 0.00 H new ATOM 0 HA MET A 52 9.008 8.845 -7.353 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.456 9.803 -6.105 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.557 9.846 -7.854 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.310 7.333 -6.366 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.621 7.717 -6.637 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.413 5.361 -9.422 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.609 4.871 -8.199 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.135 5.739 -7.706 1.00 0.00 H new ATOM 719 N GLY A 53 8.155 12.043 -7.150 1.00 0.00 N ATOM 720 CA GLY A 53 8.389 13.336 -7.767 1.00 0.00 C ATOM 721 C GLY A 53 7.575 14.441 -7.123 1.00 0.00 C ATOM 722 O GLY A 53 7.665 14.666 -5.916 1.00 0.00 O ATOM 0 H GLY A 53 7.492 12.051 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.449 13.582 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.144 13.279 -8.827 1.00 0.00 H new ATOM 726 N LYS A 54 6.779 15.134 -7.931 1.00 0.00 N ATOM 727 CA LYS A 54 5.945 16.222 -7.434 1.00 0.00 C ATOM 728 C LYS A 54 5.202 15.805 -6.169 1.00 0.00 C ATOM 729 O LYS A 54 4.112 15.240 -6.237 1.00 0.00 O ATOM 730 CB LYS A 54 4.944 16.655 -8.507 1.00 0.00 C ATOM 731 CG LYS A 54 4.563 18.123 -8.427 1.00 0.00 C ATOM 732 CD LYS A 54 5.553 18.998 -9.177 1.00 0.00 C ATOM 733 CE LYS A 54 6.829 19.209 -8.377 1.00 0.00 C ATOM 734 NZ LYS A 54 7.472 20.514 -8.693 1.00 0.00 N ATOM 0 H LYS A 54 6.694 14.961 -8.933 1.00 0.00 H new ATOM 0 HA LYS A 54 6.595 17.063 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.368 16.451 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.043 16.049 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.565 18.264 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.521 18.432 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.795 18.537 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.095 19.963 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.601 19.165 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.528 18.399 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.338 20.620 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.712 20.547 -9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.815 21.288 -8.468 1.00 0.00 H new ATOM 748 N ASN A 55 5.800 16.089 -5.016 1.00 0.00 N ATOM 749 CA ASN A 55 5.194 15.744 -3.736 1.00 0.00 C ATOM 750 C ASN A 55 4.469 14.404 -3.820 1.00 0.00 C ATOM 751 O ASN A 55 3.486 14.172 -3.117 1.00 0.00 O ATOM 752 CB ASN A 55 4.217 16.838 -3.299 1.00 0.00 C ATOM 753 CG ASN A 55 4.713 18.228 -3.647 1.00 0.00 C ATOM 754 OD1 ASN A 55 5.166 18.973 -2.778 1.00 0.00 O ATOM 755 ND2 ASN A 55 4.628 18.584 -4.923 1.00 0.00 N ATOM 0 H ASN A 55 6.703 16.557 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 55 5.991 15.660 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.251 16.670 -3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.058 16.771 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.945 19.508 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.245 17.934 -5.609 1.00 0.00 H new ATOM 762 N SER A 56 4.963 13.524 -4.686 1.00 0.00 N ATOM 763 CA SER A 56 4.361 12.208 -4.866 1.00 0.00 C ATOM 764 C SER A 56 4.925 11.211 -3.858 1.00 0.00 C ATOM 765 O SER A 56 6.084 11.307 -3.454 1.00 0.00 O ATOM 766 CB SER A 56 4.603 11.703 -6.289 1.00 0.00 C ATOM 767 OG SER A 56 3.789 12.395 -7.221 1.00 0.00 O ATOM 0 H SER A 56 5.778 13.699 -5.274 1.00 0.00 H new ATOM 0 HA SER A 56 3.288 12.301 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.653 11.834 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.392 10.635 -6.340 1.00 0.00 H new ATOM 0 HG SER A 56 3.786 13.351 -7.006 1.00 0.00 H new ATOM 773 N HIS A 57 4.096 10.253 -3.456 1.00 0.00 N ATOM 774 CA HIS A 57 4.511 9.236 -2.495 1.00 0.00 C ATOM 775 C HIS A 57 4.314 7.836 -3.067 1.00 0.00 C ATOM 776 O HIS A 57 3.276 7.536 -3.658 1.00 0.00 O ATOM 777 CB HIS A 57 3.723 9.383 -1.193 1.00 0.00 C ATOM 778 CG HIS A 57 3.357 10.799 -0.870 1.00 0.00 C ATOM 779 ND1 HIS A 57 4.287 11.754 -0.516 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.155 11.421 -0.852 1.00 0.00 C ATOM 781 CE1 HIS A 57 3.672 12.902 -0.292 1.00 0.00 C ATOM 782 NE2 HIS A 57 2.378 12.727 -0.489 1.00 0.00 N ATOM 0 H HIS A 57 3.133 10.159 -3.780 1.00 0.00 H new ATOM 0 HA HIS A 57 5.571 9.379 -2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.813 8.787 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.313 8.973 -0.373 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.292 11.599 -0.439 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.199 10.974 -1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.147 13.826 0.002 1.00 0.00 H new ATOM 791 N CYS A 58 5.317 6.983 -2.889 1.00 0.00 N ATOM 792 CA CYS A 58 5.255 5.614 -3.389 1.00 0.00 C ATOM 793 C CYS A 58 5.665 4.621 -2.307 1.00 0.00 C ATOM 794 O CYS A 58 6.839 4.527 -1.948 1.00 0.00 O ATOM 795 CB CYS A 58 6.158 5.455 -4.613 1.00 0.00 C ATOM 796 SG CYS A 58 5.878 3.931 -5.544 1.00 0.00 S ATOM 0 H CYS A 58 6.183 7.215 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 58 4.225 5.405 -3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.006 6.306 -5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.199 5.485 -4.290 1.00 0.00 H new ATOM 0 HG CYS A 58 6.920 3.673 -6.278 1.00 0.00 H new ATOM 802 N VAL A 59 4.689 3.881 -1.789 1.00 0.00 N ATOM 803 CA VAL A 59 4.948 2.895 -0.747 1.00 0.00 C ATOM 804 C VAL A 59 5.260 1.529 -1.349 1.00 0.00 C ATOM 805 O VAL A 59 4.475 0.988 -2.127 1.00 0.00 O ATOM 806 CB VAL A 59 3.748 2.761 0.209 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.972 1.621 1.190 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.504 4.069 0.945 1.00 0.00 C ATOM 0 H VAL A 59 3.712 3.946 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 59 5.813 3.247 -0.185 1.00 0.00 H new ATOM 0 HB VAL A 59 2.860 2.532 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.114 1.541 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.093 0.687 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.870 1.816 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.652 3.956 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.390 4.331 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.295 4.859 0.224 1.00 0.00 H new ATOM 818 N ARG A 60 6.412 0.977 -0.982 1.00 0.00 N ATOM 819 CA ARG A 60 6.829 -0.326 -1.486 1.00 0.00 C ATOM 820 C ARG A 60 6.976 -1.329 -0.345 1.00 0.00 C ATOM 821 O ARG A 60 7.714 -1.093 0.612 1.00 0.00 O ATOM 822 CB ARG A 60 8.152 -0.204 -2.244 1.00 0.00 C ATOM 823 CG ARG A 60 7.979 0.079 -3.728 1.00 0.00 C ATOM 824 CD ARG A 60 9.299 0.459 -4.380 1.00 0.00 C ATOM 825 NE ARG A 60 10.144 -0.706 -4.625 1.00 0.00 N ATOM 826 CZ ARG A 60 11.326 -0.643 -5.229 1.00 0.00 C ATOM 827 NH1 ARG A 60 11.799 0.523 -5.647 1.00 0.00 N ATOM 828 NH2 ARG A 60 12.037 -1.748 -5.415 1.00 0.00 N ATOM 0 H ARG A 60 7.073 1.412 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 60 6.059 -0.687 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.745 0.594 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.718 -1.128 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.568 -0.801 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.259 0.886 -3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.104 0.970 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.830 1.164 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 60 9.809 -1.618 -4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.255 1.374 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.707 0.569 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.676 -2.647 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.944 -1.699 -5.879 1.00 0.00 H new ATOM 842 N PHE A 61 6.267 -2.448 -0.452 1.00 0.00 N ATOM 843 CA PHE A 61 6.317 -3.486 0.571 1.00 0.00 C ATOM 844 C PHE A 61 5.904 -4.837 -0.005 1.00 0.00 C ATOM 845 O PHE A 61 5.262 -4.908 -1.053 1.00 0.00 O ATOM 846 CB PHE A 61 5.406 -3.119 1.744 1.00 0.00 C ATOM 847 CG PHE A 61 3.984 -2.855 1.340 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.209 -3.862 0.787 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.422 -1.600 1.511 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.899 -3.623 0.414 1.00 0.00 C ATOM 851 CE2 PHE A 61 2.113 -1.356 1.140 1.00 0.00 C ATOM 852 CZ PHE A 61 1.351 -2.368 0.590 1.00 0.00 C ATOM 0 H PHE A 61 5.651 -2.659 -1.237 1.00 0.00 H new ATOM 0 HA PHE A 61 7.344 -3.561 0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.423 -3.928 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.805 -2.234 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.633 -4.845 0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.013 -0.804 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.305 -4.417 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.686 -0.374 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.329 -2.178 0.298 1.00 0.00 H new ATOM 862 N VAL A 62 6.277 -5.908 0.688 1.00 0.00 N ATOM 863 CA VAL A 62 5.947 -7.258 0.247 1.00 0.00 C ATOM 864 C VAL A 62 4.827 -7.853 1.094 1.00 0.00 C ATOM 865 O VAL A 62 5.042 -8.314 2.216 1.00 0.00 O ATOM 866 CB VAL A 62 7.174 -8.186 0.312 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.838 -9.556 -0.257 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.350 -7.566 -0.428 1.00 0.00 C ATOM 0 H VAL A 62 6.808 -5.867 1.558 1.00 0.00 H new ATOM 0 HA VAL A 62 5.615 -7.181 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 62 7.457 -8.313 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.717 -10.198 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.027 -10.001 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.528 -9.452 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.209 -8.235 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.080 -7.408 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.605 -6.610 0.029 1.00 0.00 H new ATOM 878 N PRO A 63 3.603 -7.846 0.546 1.00 0.00 N ATOM 879 CA PRO A 63 2.425 -8.384 1.234 1.00 0.00 C ATOM 880 C PRO A 63 2.468 -9.903 1.357 1.00 0.00 C ATOM 881 O PRO A 63 3.416 -10.544 0.903 1.00 0.00 O ATOM 882 CB PRO A 63 1.263 -7.953 0.335 1.00 0.00 C ATOM 883 CG PRO A 63 1.868 -7.793 -1.017 1.00 0.00 C ATOM 884 CD PRO A 63 3.275 -7.314 -0.787 1.00 0.00 C ATOM 0 HA PRO A 63 2.349 -8.019 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.470 -8.701 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.819 -7.020 0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.861 -8.737 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.304 -7.076 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.957 -7.691 -1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.338 -6.226 -0.812 1.00 0.00 H new ATOM 892 N GLN A 64 1.437 -10.472 1.972 1.00 0.00 N ATOM 893 CA GLN A 64 1.358 -11.916 2.154 1.00 0.00 C ATOM 894 C GLN A 64 0.312 -12.526 1.227 1.00 0.00 C ATOM 895 O GLN A 64 -0.426 -11.808 0.553 1.00 0.00 O ATOM 896 CB GLN A 64 1.025 -12.251 3.609 1.00 0.00 C ATOM 897 CG GLN A 64 2.179 -12.012 4.569 1.00 0.00 C ATOM 898 CD GLN A 64 3.422 -12.796 4.193 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.628 -13.916 4.661 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.258 -12.209 3.344 1.00 0.00 N ATOM 0 H GLN A 64 0.645 -9.955 2.353 1.00 0.00 H new ATOM 0 HA GLN A 64 2.330 -12.341 1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.171 -11.652 3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.722 -13.296 3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.417 -10.948 4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.871 -12.288 5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.047 -11.279 2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.111 -12.688 3.055 1.00 0.00 H new ATOM 909 N GLU A 65 0.256 -13.854 1.198 1.00 0.00 N ATOM 910 CA GLU A 65 -0.700 -14.559 0.352 1.00 0.00 C ATOM 911 C GLU A 65 -2.067 -14.641 1.026 1.00 0.00 C ATOM 912 O GLU A 65 -2.166 -14.933 2.218 1.00 0.00 O ATOM 913 CB GLU A 65 -0.191 -15.966 0.033 1.00 0.00 C ATOM 914 CG GLU A 65 0.067 -16.814 1.268 1.00 0.00 C ATOM 915 CD GLU A 65 0.770 -18.118 0.943 1.00 0.00 C ATOM 916 OE1 GLU A 65 1.962 -18.072 0.572 1.00 0.00 O ATOM 917 OE2 GLU A 65 0.130 -19.183 1.060 1.00 0.00 O ATOM 0 H GLU A 65 0.861 -14.463 1.750 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.806 -13.999 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.920 -16.472 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.731 -15.888 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.672 -16.246 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.881 -17.029 1.761 1.00 0.00 H new ATOM 924 N MET A 66 -3.117 -14.379 0.255 1.00 0.00 N ATOM 925 CA MET A 66 -4.478 -14.424 0.777 1.00 0.00 C ATOM 926 C MET A 66 -4.552 -13.777 2.157 1.00 0.00 C ATOM 927 O MET A 66 -5.186 -14.308 3.068 1.00 0.00 O ATOM 928 CB MET A 66 -4.971 -15.870 0.851 1.00 0.00 C ATOM 929 CG MET A 66 -4.928 -16.596 -0.483 1.00 0.00 C ATOM 930 SD MET A 66 -3.356 -17.430 -0.770 1.00 0.00 S ATOM 931 CE MET A 66 -2.752 -16.533 -2.198 1.00 0.00 C ATOM 0 H MET A 66 -3.052 -14.133 -0.733 1.00 0.00 H new ATOM 0 HA MET A 66 -5.120 -13.864 0.098 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.363 -16.416 1.572 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.994 -15.878 1.227 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.735 -17.328 -0.520 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.108 -15.882 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.034 -17.150 -2.738 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.587 -16.289 -2.854 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.266 -15.613 -1.871 1.00 0.00 H new ATOM 941 N GLY A 67 -3.901 -12.628 2.303 1.00 0.00 N ATOM 942 CA GLY A 67 -3.906 -11.929 3.574 1.00 0.00 C ATOM 943 C GLY A 67 -4.327 -10.479 3.437 1.00 0.00 C ATOM 944 O GLY A 67 -3.782 -9.741 2.617 1.00 0.00 O ATOM 0 H GLY A 67 -3.370 -12.168 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.582 -12.437 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.910 -11.975 4.014 1.00 0.00 H new ATOM 948 N VAL A 68 -5.303 -10.069 4.242 1.00 0.00 N ATOM 949 CA VAL A 68 -5.798 -8.699 4.206 1.00 0.00 C ATOM 950 C VAL A 68 -4.981 -7.795 5.123 1.00 0.00 C ATOM 951 O VAL A 68 -5.029 -7.928 6.347 1.00 0.00 O ATOM 952 CB VAL A 68 -7.280 -8.626 4.620 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.768 -7.186 4.612 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.132 -9.492 3.703 1.00 0.00 C ATOM 0 H VAL A 68 -5.766 -10.667 4.927 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.698 -8.354 3.177 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.374 -9.009 5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.817 -7.156 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.176 -6.597 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.661 -6.771 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.176 -9.429 4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.034 -9.141 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.797 -10.527 3.766 1.00 0.00 H new ATOM 964 N HIS A 69 -4.232 -6.875 4.524 1.00 0.00 N ATOM 965 CA HIS A 69 -3.404 -5.948 5.287 1.00 0.00 C ATOM 966 C HIS A 69 -4.038 -4.560 5.326 1.00 0.00 C ATOM 967 O HIS A 69 -5.086 -4.327 4.723 1.00 0.00 O ATOM 968 CB HIS A 69 -2.003 -5.865 4.681 1.00 0.00 C ATOM 969 CG HIS A 69 -1.383 -7.203 4.420 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.941 -8.138 3.573 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.246 -7.761 4.898 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.174 -9.213 3.543 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.139 -9.010 4.338 1.00 0.00 N ATOM 0 H HIS A 69 -4.181 -6.751 3.513 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.328 -6.323 6.308 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.053 -5.308 3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.358 -5.300 5.354 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.810 -8.018 3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.448 -7.308 5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.361 -10.107 2.966 1.00 0.00 H new ATOM 982 N THR A 70 -3.395 -3.641 6.040 1.00 0.00 N ATOM 983 CA THR A 70 -3.895 -2.278 6.159 1.00 0.00 C ATOM 984 C THR A 70 -2.756 -1.266 6.100 1.00 0.00 C ATOM 985 O THR A 70 -1.800 -1.348 6.870 1.00 0.00 O ATOM 986 CB THR A 70 -4.676 -2.079 7.472 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.630 -3.133 7.639 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.390 -0.736 7.479 1.00 0.00 C ATOM 0 H THR A 70 -2.526 -3.817 6.545 1.00 0.00 H new ATOM 0 HA THR A 70 -4.567 -2.114 5.316 1.00 0.00 H new ATOM 0 HB THR A 70 -3.965 -2.099 8.298 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.121 -3.000 8.477 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.934 -0.618 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.658 0.066 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.090 -0.692 6.645 1.00 0.00 H new ATOM 996 N VAL A 71 -2.866 -0.312 5.181 1.00 0.00 N ATOM 997 CA VAL A 71 -1.845 0.717 5.023 1.00 0.00 C ATOM 998 C VAL A 71 -2.191 1.963 5.830 1.00 0.00 C ATOM 999 O VAL A 71 -3.061 2.744 5.444 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.669 1.110 3.544 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.572 2.154 3.395 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.365 -0.118 2.699 1.00 0.00 C ATOM 0 H VAL A 71 -3.651 -0.230 4.535 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.911 0.295 5.394 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.603 1.546 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.462 2.419 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.836 3.043 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.369 1.749 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.244 0.178 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.446 -0.585 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.187 -0.829 2.781 1.00 0.00 H new ATOM 1012 N SER A 72 -1.504 2.143 6.954 1.00 0.00 N ATOM 1013 CA SER A 72 -1.741 3.293 7.819 1.00 0.00 C ATOM 1014 C SER A 72 -0.854 4.467 7.416 1.00 0.00 C ATOM 1015 O SER A 72 0.368 4.412 7.549 1.00 0.00 O ATOM 1016 CB SER A 72 -1.481 2.921 9.280 1.00 0.00 C ATOM 1017 OG SER A 72 -2.294 1.832 9.681 1.00 0.00 O ATOM 0 H SER A 72 -0.779 1.507 7.287 1.00 0.00 H new ATOM 0 HA SER A 72 -2.783 3.592 7.708 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.430 2.662 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.680 3.782 9.919 1.00 0.00 H new ATOM 0 HG SER A 72 -2.108 1.612 10.618 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.480 5.531 6.921 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.750 6.720 6.499 1.00 0.00 C ATOM 1025 C VAL A 73 -1.197 7.947 7.285 1.00 0.00 C ATOM 1026 O VAL A 73 -2.211 8.568 6.965 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.940 6.990 4.994 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.194 8.250 4.580 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.478 5.794 4.176 1.00 0.00 C ATOM 0 H VAL A 73 -2.491 5.593 6.803 1.00 0.00 H new ATOM 0 HA VAL A 73 0.305 6.531 6.696 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.002 7.145 4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.339 8.425 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.577 9.101 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.869 8.127 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.619 6.002 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.578 5.606 4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.061 4.916 4.454 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.434 8.293 8.316 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.749 9.448 9.148 1.00 0.00 C ATOM 1041 C LYS A 74 0.117 10.645 8.768 1.00 0.00 C ATOM 1042 O LYS A 74 1.214 10.485 8.233 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.546 9.107 10.626 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.791 8.554 11.299 1.00 0.00 C ATOM 1045 CD LYS A 74 -1.792 8.839 12.791 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.206 8.987 13.330 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.697 10.389 13.222 1.00 0.00 N ATOM 0 H LYS A 74 0.408 7.789 8.596 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.794 9.711 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.259 8.378 10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.224 10.003 11.156 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.678 8.994 10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.848 7.478 11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.284 8.031 13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.229 9.751 12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.875 8.325 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.232 8.673 14.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.713 10.385 12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.543 10.881 14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.179 10.881 12.466 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.383 11.843 9.049 1.00 0.00 N ATOM 1062 CA TYR A 75 0.345 13.067 8.736 1.00 0.00 C ATOM 1063 C TYR A 75 0.350 14.018 9.929 1.00 0.00 C ATOM 1064 O TYR A 75 -0.601 14.770 10.142 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.277 13.759 7.522 1.00 0.00 C ATOM 1066 CG TYR A 75 0.247 15.158 7.287 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.577 15.375 6.948 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.588 16.262 7.406 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.060 16.651 6.734 1.00 0.00 C ATOM 1070 CE2 TYR A 75 -0.114 17.542 7.191 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.211 17.731 6.856 1.00 0.00 C ATOM 1072 OH TYR A 75 1.687 19.005 6.643 1.00 0.00 O ATOM 0 H TYR A 75 -1.289 11.993 9.493 1.00 0.00 H new ATOM 0 HA TYR A 75 1.375 12.797 8.504 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.088 13.156 6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.358 13.802 7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.244 14.531 6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.625 16.117 7.671 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.097 16.802 6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.777 18.390 7.285 1.00 0.00 H new ATOM 0 HH TYR A 75 0.960 19.651 6.768 1.00 0.00 H new ATOM 1082 N ARG A 76 1.429 13.979 10.704 1.00 0.00 N ATOM 1083 CA ARG A 76 1.560 14.836 11.876 1.00 0.00 C ATOM 1084 C ARG A 76 0.473 14.525 12.901 1.00 0.00 C ATOM 1085 O ARG A 76 0.011 15.410 13.620 1.00 0.00 O ATOM 1086 CB ARG A 76 1.485 16.309 11.469 1.00 0.00 C ATOM 1087 CG ARG A 76 2.804 16.868 10.961 1.00 0.00 C ATOM 1088 CD ARG A 76 2.924 18.357 11.246 1.00 0.00 C ATOM 1089 NE ARG A 76 2.816 18.652 12.672 1.00 0.00 N ATOM 1090 CZ ARG A 76 3.069 19.846 13.197 1.00 0.00 C ATOM 1091 NH1 ARG A 76 3.441 20.852 12.416 1.00 0.00 N ATOM 1092 NH2 ARG A 76 2.949 20.037 14.504 1.00 0.00 N ATOM 0 H ARG A 76 2.225 13.363 10.541 1.00 0.00 H new ATOM 0 HA ARG A 76 2.531 14.641 12.331 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.728 16.425 10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.156 16.898 12.325 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.631 16.338 11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.885 16.694 9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.881 18.722 10.872 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.145 18.894 10.705 1.00 0.00 H new ATOM 0 HE ARG A 76 2.531 17.900 13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.533 20.710 11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.635 21.768 12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.662 19.267 15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.144 20.954 14.905 1.00 0.00 H new ATOM 1106 N GLY A 77 0.069 13.260 12.962 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.961 12.854 13.901 1.00 0.00 C ATOM 1108 C GLY A 77 -2.358 13.028 13.340 1.00 0.00 C ATOM 1109 O GLY A 77 -3.289 13.368 14.070 1.00 0.00 O ATOM 0 H GLY A 77 0.436 12.509 12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.809 11.809 14.173 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.865 13.438 14.816 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.505 12.796 12.039 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.799 12.932 11.381 1.00 0.00 C ATOM 1115 C GLN A 78 -3.928 11.946 10.225 1.00 0.00 C ATOM 1116 O GLN A 78 -3.073 11.896 9.339 1.00 0.00 O ATOM 1117 CB GLN A 78 -3.988 14.362 10.871 1.00 0.00 C ATOM 1118 CG GLN A 78 -3.457 14.581 9.463 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.422 14.104 8.395 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.101 13.216 7.604 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -5.612 14.692 8.367 1.00 0.00 N ATOM 0 H GLN A 78 -1.745 12.513 11.421 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.576 12.709 12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.049 14.609 10.893 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.486 15.051 11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.254 15.642 9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.508 14.056 9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.835 15.424 9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.303 14.412 7.671 1.00 0.00 H new ATOM 1130 N HIS A 79 -5.001 11.162 10.239 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.242 10.176 9.191 1.00 0.00 C ATOM 1132 C HIS A 79 -5.737 10.850 7.915 1.00 0.00 C ATOM 1133 O HIS A 79 -6.810 11.454 7.895 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.261 9.138 9.661 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.654 8.016 10.446 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.708 7.159 9.924 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.861 7.613 11.721 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.361 6.276 10.844 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.046 6.531 11.944 1.00 0.00 N ATOM 0 H HIS A 79 -5.718 11.190 10.964 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.298 9.675 8.975 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.015 9.632 10.273 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.775 8.726 8.792 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.541 8.060 12.431 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.640 5.482 10.718 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.980 6.009 12.818 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.948 10.744 6.850 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.307 11.342 5.570 1.00 0.00 C ATOM 1150 C VAL A 80 -6.631 10.789 5.056 1.00 0.00 C ATOM 1151 O VAL A 80 -7.121 9.769 5.541 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.215 11.098 4.511 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.894 11.705 4.955 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -4.063 9.609 4.238 1.00 0.00 C ATOM 0 H VAL A 80 -4.056 10.249 6.849 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.406 12.414 5.739 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.516 11.586 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.135 11.522 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.016 12.779 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.582 11.250 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.288 9.454 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.784 9.097 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.008 9.208 3.872 1.00 0.00 H new ATOM 1164 N THR A 81 -7.208 11.470 4.070 1.00 0.00 N ATOM 1165 CA THR A 81 -8.476 11.047 3.490 1.00 0.00 C ATOM 1166 C THR A 81 -8.380 9.634 2.927 1.00 0.00 C ATOM 1167 O THR A 81 -7.534 9.348 2.082 1.00 0.00 O ATOM 1168 CB THR A 81 -8.928 12.004 2.370 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.925 13.353 2.848 1.00 0.00 O ATOM 1170 CG2 THR A 81 -10.319 11.638 1.875 1.00 0.00 C ATOM 0 H THR A 81 -6.817 12.317 3.657 1.00 0.00 H new ATOM 0 HA THR A 81 -9.212 11.065 4.293 1.00 0.00 H new ATOM 0 HB THR A 81 -8.229 11.913 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.212 13.955 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.617 12.327 1.085 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.310 10.620 1.485 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.028 11.704 2.700 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.255 8.752 3.402 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.252 7.378 2.934 1.00 0.00 C ATOM 1180 C GLY A 82 -8.543 6.441 3.892 1.00 0.00 C ATOM 1181 O GLY A 82 -9.068 5.383 4.237 1.00 0.00 O ATOM 0 H GLY A 82 -9.966 8.965 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.280 7.042 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.767 7.331 1.959 1.00 0.00 H new ATOM 1185 N SER A 83 -7.347 6.830 4.321 1.00 0.00 N ATOM 1186 CA SER A 83 -6.563 6.014 5.241 1.00 0.00 C ATOM 1187 C SER A 83 -7.277 5.866 6.581 1.00 0.00 C ATOM 1188 O SER A 83 -8.028 6.741 7.013 1.00 0.00 O ATOM 1189 CB SER A 83 -5.180 6.633 5.453 1.00 0.00 C ATOM 1190 OG SER A 83 -5.230 7.677 6.410 1.00 0.00 O ATOM 0 H SER A 83 -6.900 7.705 4.047 1.00 0.00 H new ATOM 0 HA SER A 83 -6.447 5.024 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.481 5.865 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.803 7.021 4.507 1.00 0.00 H new ATOM 0 HG SER A 83 -5.859 8.366 6.110 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.040 4.731 7.255 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.149 3.682 6.750 1.00 0.00 C ATOM 1198 C PRO A 84 -6.733 2.957 5.543 1.00 0.00 C ATOM 1199 O PRO A 84 -7.907 2.585 5.537 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.021 2.724 7.938 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.265 2.934 8.730 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.623 4.385 8.562 1.00 0.00 C ATOM 0 HA PRO A 84 -5.197 4.087 6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.934 1.690 7.605 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.133 2.944 8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.068 2.290 8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.105 2.691 9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.702 4.536 8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.207 4.997 9.362 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.907 2.760 4.521 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.343 2.080 3.306 1.00 0.00 C ATOM 1212 C PHE A 85 -6.236 0.565 3.463 1.00 0.00 C ATOM 1213 O PHE A 85 -5.142 0.024 3.619 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.506 2.540 2.111 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.564 4.022 1.875 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.561 4.574 1.086 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.621 4.865 2.441 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.615 5.937 0.867 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.670 6.229 2.226 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.670 6.766 1.438 1.00 0.00 C ATOM 0 H PHE A 85 -4.933 3.061 4.509 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.388 2.337 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.469 2.245 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.851 2.024 1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.304 3.931 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.838 4.450 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.396 6.354 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.928 6.874 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.712 7.832 1.269 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.380 -0.110 3.420 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.415 -1.561 3.558 1.00 0.00 C ATOM 1232 C GLN A 86 -7.506 -2.236 2.194 1.00 0.00 C ATOM 1233 O GLN A 86 -8.320 -1.852 1.353 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.600 -1.983 4.429 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.376 -3.293 5.168 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.657 -3.864 5.742 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.678 -3.941 5.058 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -9.610 -4.270 7.006 1.00 0.00 N ATOM 0 H GLN A 86 -8.294 0.324 3.291 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.489 -1.877 4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.805 -1.196 5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.486 -2.076 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.932 -4.019 4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.660 -3.133 5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.743 -4.188 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.441 -4.664 7.446 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.666 -3.243 1.980 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.651 -3.971 0.716 1.00 0.00 C ATOM 1249 C PHE A 87 -6.473 -5.468 0.953 1.00 0.00 C ATOM 1250 O PHE A 87 -5.921 -5.887 1.971 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.529 -3.449 -0.184 1.00 0.00 C ATOM 1252 CG PHE A 87 -4.153 -3.782 0.319 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.685 -5.086 0.285 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.327 -2.791 0.825 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.420 -5.395 0.748 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -2.061 -3.094 1.288 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.607 -4.398 1.249 1.00 0.00 C ATOM 0 H PHE A 87 -5.987 -3.574 2.665 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.609 -3.810 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.652 -3.866 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.622 -2.367 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.316 -5.870 -0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.677 -1.770 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.068 -6.416 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.427 -2.312 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.618 -4.637 1.610 1.00 0.00 H new ATOM 1267 N THR A 88 -6.947 -6.271 0.005 1.00 0.00 N ATOM 1268 CA THR A 88 -6.843 -7.721 0.110 1.00 0.00 C ATOM 1269 C THR A 88 -5.931 -8.286 -0.972 1.00 0.00 C ATOM 1270 O THR A 88 -6.102 -7.997 -2.157 1.00 0.00 O ATOM 1271 CB THR A 88 -8.226 -8.392 0.002 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.140 -7.780 0.918 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.128 -9.882 0.295 1.00 0.00 C ATOM 0 H THR A 88 -7.407 -5.941 -0.844 1.00 0.00 H new ATOM 0 HA THR A 88 -6.417 -7.938 1.090 1.00 0.00 H new ATOM 0 HB THR A 88 -8.591 -8.261 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.017 -8.211 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.116 -10.335 0.213 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.454 -10.350 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.744 -10.030 1.304 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.960 -9.095 -0.558 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.021 -9.703 -1.493 1.00 0.00 C ATOM 1283 C VAL A 89 -4.524 -11.061 -1.972 1.00 0.00 C ATOM 1284 O VAL A 89 -5.121 -11.818 -1.209 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.630 -9.879 -0.857 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.681 -10.564 -1.828 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.073 -8.534 -0.414 1.00 0.00 C ATOM 0 H VAL A 89 -4.804 -9.344 0.419 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.940 -9.027 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.730 -10.513 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.703 -10.680 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.076 -11.545 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.583 -9.959 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.089 -8.677 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.987 -7.874 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.743 -8.086 0.320 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.277 -11.362 -3.244 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.711 -12.629 -3.803 1.00 0.00 C ATOM 1299 C GLY A 90 -3.550 -13.488 -4.262 1.00 0.00 C ATOM 1300 O GLY A 90 -2.419 -13.341 -3.797 1.00 0.00 O ATOM 0 H GLY A 90 -3.785 -10.752 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.289 -13.173 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.376 -12.442 -4.646 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.824 -14.412 -5.195 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.806 -15.318 -5.736 1.00 0.00 C ATOM 1306 C PRO A 91 -1.792 -14.592 -6.613 1.00 0.00 C ATOM 1307 O PRO A 91 -2.144 -13.682 -7.365 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.621 -16.310 -6.570 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.855 -15.565 -6.945 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.149 -14.643 -5.794 1.00 0.00 C ATOM 0 HA PRO A 91 -2.217 -15.786 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.069 -16.632 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.858 -17.207 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.706 -15.003 -7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.686 -16.249 -7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.605 -13.712 -6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.838 -15.096 -5.082 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.531 -14.999 -6.512 1.00 0.00 N ATOM 1319 CA LEU A 92 0.535 -14.387 -7.297 1.00 0.00 C ATOM 1320 C LEU A 92 0.163 -14.336 -8.775 1.00 0.00 C ATOM 1321 O LEU A 92 0.729 -13.559 -9.542 1.00 0.00 O ATOM 1322 CB LEU A 92 1.840 -15.165 -7.114 1.00 0.00 C ATOM 1323 CG LEU A 92 1.882 -16.561 -7.736 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.317 -16.979 -8.013 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.196 -17.570 -6.827 1.00 0.00 C ATOM 0 H LEU A 92 -0.222 -15.750 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 92 0.674 -13.366 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.653 -14.576 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.037 -15.259 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 92 1.345 -16.532 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.327 -17.975 -8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.775 -16.271 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.879 -16.991 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.235 -18.558 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.705 -17.596 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.156 -17.279 -6.680 1.00 0.00 H new