USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 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 39 SER OG : rot 131:sc= 0.149 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.346 K(o=-0.2,f=-1.5!) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.244 X(o=0.41,f=-0.045) USER MOD Set 2.2: A 31 THR OG1 : rot 133:sc= 0.162 USER MOD Set 3.1: A 25 TYR OH : rot 134:sc= 0.715 USER MOD Set 3.2: A 48 HIS : no HE2:sc= -4.66! C(o=-3.9!,f=-5.4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00202) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -153:sc= 0.567 USER MOD Single : A 19 GLN : amide:sc= 1.18 K(o=1.2,f=-0.59) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 21 GLN : amide:sc= -0.0978 X(o=-0.098,f=-0.098) USER MOD Single : A 22 THR OG1 : rot 69:sc= 0.511 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -70:sc= 0.231 USER MOD Single : A 44 CYS SG : rot 161:sc= -1.6 USER MOD Single : A 56 ASN : amide:sc=-0.00775 X(o=-0.0077,f=-0.49) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -5.24! C(o=-5.2!,f=-17!) USER MOD Single : A 69 ASN : amide:sc= -4.56! C(o=-4.6!,f=-8.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 160:sc= -0.0271 (180deg=-0.131) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.029) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 167:sc= -2.22! (180deg=-3.13!) USER MOD Single : A 104 MET CE :methyl -126:sc= -0.729 (180deg=-2.07!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -8.253 -7.735 2.574 1.00 0.00 N ATOM 136 CA SER A 12 -8.379 -7.552 4.015 1.00 0.00 C ATOM 137 C SER A 12 -7.249 -6.680 4.553 1.00 0.00 C ATOM 138 O SER A 12 -7.489 -5.652 5.186 1.00 0.00 O ATOM 139 CB SER A 12 -8.375 -8.908 4.724 1.00 0.00 C ATOM 140 OG SER A 12 -9.620 -9.567 4.573 1.00 0.00 O ATOM 0 HA SER A 12 -9.326 -7.050 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.579 -9.532 4.318 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.161 -8.767 5.783 1.00 0.00 H new ATOM 0 HG SER A 12 -9.591 -10.431 5.034 1.00 0.00 H new ATOM 146 N LYS A 13 -6.014 -7.099 4.295 1.00 0.00 N ATOM 147 CA LYS A 13 -4.844 -6.357 4.751 1.00 0.00 C ATOM 148 C LYS A 13 -5.029 -4.859 4.529 1.00 0.00 C ATOM 149 O LYS A 13 -5.009 -4.074 5.478 1.00 0.00 O ATOM 150 CB LYS A 13 -3.591 -6.841 4.018 1.00 0.00 C ATOM 151 CG LYS A 13 -2.297 -6.307 4.608 1.00 0.00 C ATOM 152 CD LYS A 13 -1.108 -7.167 4.214 1.00 0.00 C ATOM 153 CE LYS A 13 0.056 -6.984 5.176 1.00 0.00 C ATOM 154 NZ LYS A 13 -0.148 -7.739 6.443 1.00 0.00 N ATOM 0 H LYS A 13 -5.798 -7.948 3.773 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.725 -6.536 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.567 -7.931 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.654 -6.542 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.136 -5.284 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.378 -6.273 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.406 -8.215 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.790 -6.909 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.977 -7.318 4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.179 -5.924 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.370 -7.270 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.162 -7.765 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.206 -8.710 6.329 1.00 0.00 H new ATOM 168 N LEU A 14 -5.209 -4.470 3.272 1.00 0.00 N ATOM 169 CA LEU A 14 -5.399 -3.065 2.926 1.00 0.00 C ATOM 170 C LEU A 14 -6.389 -2.400 3.877 1.00 0.00 C ATOM 171 O LEU A 14 -6.121 -1.326 4.417 1.00 0.00 O ATOM 172 CB LEU A 14 -5.894 -2.938 1.485 1.00 0.00 C ATOM 173 CG LEU A 14 -6.371 -1.548 1.059 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.184 -0.645 0.762 1.00 0.00 C ATOM 175 CD2 LEU A 14 -7.285 -1.646 -0.153 1.00 0.00 C ATOM 0 H LEU A 14 -5.227 -5.107 2.475 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.438 -2.559 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.089 -3.244 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.714 -3.642 1.340 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.937 -1.111 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.542 0.339 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.567 -0.549 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.590 -1.077 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.615 -0.648 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.743 -2.103 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.153 -2.257 0.094 1.00 0.00 H new ATOM 187 N LEU A 15 -7.533 -3.045 4.078 1.00 0.00 N ATOM 188 CA LEU A 15 -8.563 -2.516 4.966 1.00 0.00 C ATOM 189 C LEU A 15 -7.978 -2.163 6.329 1.00 0.00 C ATOM 190 O LEU A 15 -8.133 -1.040 6.812 1.00 0.00 O ATOM 191 CB LEU A 15 -9.693 -3.535 5.131 1.00 0.00 C ATOM 192 CG LEU A 15 -10.875 -3.091 5.993 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.744 -2.098 5.236 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.696 -4.294 6.432 1.00 0.00 C ATOM 0 H LEU A 15 -7.771 -3.934 3.639 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.964 -1.607 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.068 -3.795 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.275 -4.444 5.563 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.486 -2.597 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.580 -1.793 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.151 -1.223 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.125 -2.566 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.533 -3.959 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.075 -4.816 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.069 -4.970 7.013 1.00 0.00 H new ATOM 206 N THR A 16 -7.302 -3.127 6.946 1.00 0.00 N ATOM 207 CA THR A 16 -6.693 -2.918 8.253 1.00 0.00 C ATOM 208 C THR A 16 -6.010 -1.557 8.330 1.00 0.00 C ATOM 209 O THR A 16 -6.310 -0.751 9.210 1.00 0.00 O ATOM 210 CB THR A 16 -5.661 -4.016 8.574 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.280 -5.306 8.501 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.066 -3.811 9.959 1.00 0.00 C ATOM 0 H THR A 16 -7.163 -4.061 6.561 1.00 0.00 H new ATOM 0 HA THR A 16 -7.498 -2.960 8.987 1.00 0.00 H new ATOM 0 HB THR A 16 -4.858 -3.956 7.839 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.617 -5.999 8.705 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.340 -4.598 10.163 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.571 -2.841 10.002 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.860 -3.847 10.705 1.00 0.00 H new ATOM 220 N TRP A 17 -5.092 -1.308 7.403 1.00 0.00 N ATOM 221 CA TRP A 17 -4.367 -0.043 7.366 1.00 0.00 C ATOM 222 C TRP A 17 -5.332 1.137 7.360 1.00 0.00 C ATOM 223 O TRP A 17 -5.261 2.013 8.224 1.00 0.00 O ATOM 224 CB TRP A 17 -3.465 0.015 6.132 1.00 0.00 C ATOM 225 CG TRP A 17 -2.691 1.294 6.022 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.529 1.607 6.667 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.027 2.432 5.220 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.122 2.871 6.314 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.023 3.398 5.427 1.00 0.00 C ATOM 230 CE3 TRP A 17 -4.076 2.727 4.346 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.040 4.637 4.792 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -4.092 3.957 3.716 1.00 0.00 C ATOM 233 CH2 TRP A 17 -3.079 4.900 3.941 1.00 0.00 C ATOM 0 H TRP A 17 -4.832 -1.965 6.667 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.750 0.020 8.262 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.768 -0.822 6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.076 -0.110 5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.007 0.957 7.353 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.284 3.341 6.657 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.860 2.007 4.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.261 5.365 4.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.899 4.196 3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -3.119 5.852 3.433 1.00 0.00 H new ATOM 244 N CYS A 18 -6.233 1.155 6.385 1.00 0.00 N ATOM 245 CA CYS A 18 -7.213 2.229 6.268 1.00 0.00 C ATOM 246 C CYS A 18 -7.946 2.443 7.588 1.00 0.00 C ATOM 247 O CYS A 18 -8.121 3.577 8.035 1.00 0.00 O ATOM 248 CB CYS A 18 -8.217 1.914 5.158 1.00 0.00 C ATOM 249 SG CYS A 18 -7.475 1.736 3.519 1.00 0.00 S ATOM 0 H CYS A 18 -6.306 0.438 5.663 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.681 3.146 6.016 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.742 0.993 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.964 2.707 5.123 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.353 2.041 2.610 1.00 0.00 H new ATOM 255 N GLN A 19 -8.372 1.347 8.206 1.00 0.00 N ATOM 256 CA GLN A 19 -9.089 1.415 9.475 1.00 0.00 C ATOM 257 C GLN A 19 -8.283 2.188 10.514 1.00 0.00 C ATOM 258 O GLN A 19 -8.783 3.136 11.120 1.00 0.00 O ATOM 259 CB GLN A 19 -9.391 0.007 9.990 1.00 0.00 C ATOM 260 CG GLN A 19 -10.591 -0.642 9.320 1.00 0.00 C ATOM 261 CD GLN A 19 -10.965 -1.969 9.950 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.144 -2.610 10.607 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.209 -2.388 9.754 1.00 0.00 N ATOM 0 H GLN A 19 -8.234 0.401 7.850 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.028 1.941 9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.515 -0.623 9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.566 0.052 11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.443 0.035 9.376 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.373 -0.795 8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.856 -1.824 9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.518 -3.274 10.155 1.00 0.00 H new ATOM 272 N GLN A 20 -7.035 1.777 10.713 1.00 0.00 N ATOM 273 CA GLN A 20 -6.161 2.431 11.680 1.00 0.00 C ATOM 274 C GLN A 20 -6.089 3.932 11.420 1.00 0.00 C ATOM 275 O GLN A 20 -6.373 4.739 12.305 1.00 0.00 O ATOM 276 CB GLN A 20 -4.759 1.824 11.625 1.00 0.00 C ATOM 277 CG GLN A 20 -4.694 0.394 12.137 1.00 0.00 C ATOM 278 CD GLN A 20 -3.297 -0.190 12.063 1.00 0.00 C ATOM 279 OE1 GLN A 20 -2.483 0.222 11.236 1.00 0.00 O ATOM 280 NE2 GLN A 20 -3.012 -1.155 12.929 1.00 0.00 N ATOM 0 H GLN A 20 -6.606 0.995 10.218 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.578 2.272 12.674 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.402 1.849 10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.081 2.443 12.213 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.041 0.366 13.170 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.375 -0.227 11.555 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.717 -1.465 13.597 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.088 -1.586 12.926 1.00 0.00 H new ATOM 289 N GLN A 21 -5.707 4.299 10.201 1.00 0.00 N ATOM 290 CA GLN A 21 -5.596 5.704 9.826 1.00 0.00 C ATOM 291 C GLN A 21 -6.878 6.459 10.160 1.00 0.00 C ATOM 292 O GLN A 21 -6.845 7.502 10.814 1.00 0.00 O ATOM 293 CB GLN A 21 -5.289 5.832 8.333 1.00 0.00 C ATOM 294 CG GLN A 21 -4.042 5.078 7.902 1.00 0.00 C ATOM 295 CD GLN A 21 -2.836 5.402 8.762 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.363 6.539 8.784 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.333 4.403 9.477 1.00 0.00 N ATOM 0 H GLN A 21 -5.469 3.643 9.457 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.778 6.143 10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.142 5.464 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.170 6.887 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.237 4.006 7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.818 5.319 6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.757 3.477 9.428 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.522 4.562 10.075 1.00 0.00 H new ATOM 306 N THR A 22 -8.009 5.926 9.707 1.00 0.00 N ATOM 307 CA THR A 22 -9.302 6.550 9.956 1.00 0.00 C ATOM 308 C THR A 22 -10.072 5.805 11.040 1.00 0.00 C ATOM 309 O THR A 22 -11.266 5.544 10.897 1.00 0.00 O ATOM 310 CB THR A 22 -10.158 6.600 8.676 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.598 5.282 8.330 1.00 0.00 O ATOM 312 CG2 THR A 22 -9.369 7.197 7.521 1.00 0.00 C ATOM 0 H THR A 22 -8.055 5.063 9.165 1.00 0.00 H new ATOM 0 HA THR A 22 -9.102 7.568 10.290 1.00 0.00 H new ATOM 0 HB THR A 22 -11.024 7.233 8.868 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.247 4.969 8.994 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.994 7.222 6.628 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.060 8.211 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.486 6.587 7.329 1.00 0.00 H new ATOM 320 N GLU A 23 -9.381 5.467 12.124 1.00 0.00 N ATOM 321 CA GLU A 23 -10.002 4.752 13.233 1.00 0.00 C ATOM 322 C GLU A 23 -10.529 5.726 14.283 1.00 0.00 C ATOM 323 O GLU A 23 -11.368 5.371 15.109 1.00 0.00 O ATOM 324 CB GLU A 23 -9.000 3.788 13.873 1.00 0.00 C ATOM 325 CG GLU A 23 -9.236 3.561 15.357 1.00 0.00 C ATOM 326 CD GLU A 23 -8.607 2.276 15.857 1.00 0.00 C ATOM 327 OE1 GLU A 23 -7.538 1.895 15.336 1.00 0.00 O ATOM 328 OE2 GLU A 23 -9.184 1.651 16.772 1.00 0.00 O ATOM 0 H GLU A 23 -8.392 5.677 12.258 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.843 4.182 12.838 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.049 2.830 13.355 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.992 4.177 13.729 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.830 4.402 15.919 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.308 3.536 15.551 1.00 0.00 H new ATOM 335 N GLY A 24 -10.028 6.957 14.243 1.00 0.00 N ATOM 336 CA GLY A 24 -10.458 7.964 15.196 1.00 0.00 C ATOM 337 C GLY A 24 -11.274 9.065 14.547 1.00 0.00 C ATOM 338 O GLY A 24 -11.313 10.192 15.041 1.00 0.00 O ATOM 0 H GLY A 24 -9.332 7.275 13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.050 7.490 15.979 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.583 8.400 15.678 1.00 0.00 H new ATOM 342 N TYR A 25 -11.926 8.739 13.436 1.00 0.00 N ATOM 343 CA TYR A 25 -12.741 9.710 12.716 1.00 0.00 C ATOM 344 C TYR A 25 -14.215 9.562 13.083 1.00 0.00 C ATOM 345 O TYR A 25 -14.720 8.449 13.227 1.00 0.00 O ATOM 346 CB TYR A 25 -12.560 9.541 11.207 1.00 0.00 C ATOM 347 CG TYR A 25 -11.319 10.215 10.667 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.052 9.748 10.994 1.00 0.00 C ATOM 349 CD2 TYR A 25 -11.414 11.319 9.828 1.00 0.00 C ATOM 350 CE1 TYR A 25 -8.916 10.362 10.503 1.00 0.00 C ATOM 351 CE2 TYR A 25 -10.283 11.938 9.331 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.037 11.456 9.672 1.00 0.00 C ATOM 353 OH TYR A 25 -7.908 12.070 9.180 1.00 0.00 O ATOM 0 H TYR A 25 -11.906 7.810 13.015 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.411 10.708 13.004 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.517 8.478 10.971 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.434 9.946 10.697 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.954 8.890 11.643 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.389 11.700 9.560 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.938 9.987 10.768 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.374 12.794 8.679 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.015 12.230 8.219 1.00 0.00 H new ATOM 363 N GLN A 26 -14.898 10.692 13.230 1.00 0.00 N ATOM 364 CA GLN A 26 -16.313 10.689 13.580 1.00 0.00 C ATOM 365 C GLN A 26 -17.172 10.338 12.369 1.00 0.00 C ATOM 366 O GLN A 26 -16.923 10.812 11.260 1.00 0.00 O ATOM 367 CB GLN A 26 -16.727 12.054 14.134 1.00 0.00 C ATOM 368 CG GLN A 26 -16.125 12.364 15.496 1.00 0.00 C ATOM 369 CD GLN A 26 -16.356 13.801 15.921 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.476 14.190 16.255 1.00 0.00 O ATOM 371 NE2 GLN A 26 -15.295 14.599 15.913 1.00 0.00 N ATOM 0 H GLN A 26 -14.494 11.621 13.112 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.470 9.931 14.347 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.428 12.829 13.429 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -17.814 12.093 14.209 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.556 11.695 16.241 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.054 12.164 15.470 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.385 14.235 15.629 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.389 15.576 16.191 1.00 0.00 H new ATOM 380 N HIS A 27 -18.184 9.504 12.589 1.00 0.00 N ATOM 381 CA HIS A 27 -19.080 9.090 11.516 1.00 0.00 C ATOM 382 C HIS A 27 -18.310 8.367 10.414 1.00 0.00 C ATOM 383 O HIS A 27 -18.688 8.417 9.243 1.00 0.00 O ATOM 384 CB HIS A 27 -19.808 10.302 10.934 1.00 0.00 C ATOM 385 CG HIS A 27 -20.937 10.790 11.790 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.244 10.388 11.613 1.00 0.00 N ATOM 387 CD2 HIS A 27 -20.947 11.650 12.835 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.010 10.982 12.511 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.247 11.752 13.265 1.00 0.00 N ATOM 0 H HIS A 27 -18.403 9.102 13.500 1.00 0.00 H new ATOM 0 HA HIS A 27 -19.814 8.401 11.935 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.093 11.112 10.794 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.195 10.044 9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.092 12.161 13.253 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.078 10.859 12.611 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.571 12.329 14.041 1.00 0.00 H new ATOM 398 N VAL A 28 -17.228 7.696 10.797 1.00 0.00 N ATOM 399 CA VAL A 28 -16.406 6.964 9.842 1.00 0.00 C ATOM 400 C VAL A 28 -16.173 5.529 10.304 1.00 0.00 C ATOM 401 O VAL A 28 -15.271 5.260 11.096 1.00 0.00 O ATOM 402 CB VAL A 28 -15.043 7.650 9.632 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.172 6.832 8.691 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.235 9.063 9.100 1.00 0.00 C ATOM 0 H VAL A 28 -16.901 7.645 11.762 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.950 6.956 8.898 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.536 7.713 10.595 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.213 7.333 8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.007 5.842 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.670 6.734 7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.262 9.533 8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -15.763 9.024 8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.818 9.645 9.814 1.00 0.00 H new ATOM 414 N ASN A 29 -16.994 4.612 9.802 1.00 0.00 N ATOM 415 CA ASN A 29 -16.878 3.204 10.164 1.00 0.00 C ATOM 416 C ASN A 29 -16.468 2.365 8.957 1.00 0.00 C ATOM 417 O ASN A 29 -17.317 1.855 8.225 1.00 0.00 O ATOM 418 CB ASN A 29 -18.204 2.690 10.729 1.00 0.00 C ATOM 419 CG ASN A 29 -18.026 1.448 11.581 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.853 1.534 12.796 1.00 0.00 O ATOM 421 ND2 ASN A 29 -18.069 0.283 10.943 1.00 0.00 N ATOM 0 H ASN A 29 -17.746 4.818 9.144 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.106 3.113 10.928 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.669 3.474 11.327 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -18.885 2.469 9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.956 -0.587 11.463 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.215 0.259 9.934 1.00 0.00 H new ATOM 428 N VAL A 30 -15.162 2.225 8.757 1.00 0.00 N ATOM 429 CA VAL A 30 -14.639 1.446 7.640 1.00 0.00 C ATOM 430 C VAL A 30 -14.831 -0.048 7.874 1.00 0.00 C ATOM 431 O VAL A 30 -14.080 -0.673 8.623 1.00 0.00 O ATOM 432 CB VAL A 30 -13.142 1.730 7.411 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.583 0.810 6.336 1.00 0.00 C ATOM 434 CG2 VAL A 30 -12.928 3.190 7.040 1.00 0.00 C ATOM 0 H VAL A 30 -14.446 2.640 9.353 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.199 1.747 6.754 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.606 1.533 8.339 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.525 1.025 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.703 -0.228 6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.121 0.973 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.865 3.373 6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.475 3.417 6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.290 3.827 7.847 1.00 0.00 H new ATOM 444 N THR A 31 -15.845 -0.616 7.228 1.00 0.00 N ATOM 445 CA THR A 31 -16.138 -2.037 7.366 1.00 0.00 C ATOM 446 C THR A 31 -15.812 -2.793 6.083 1.00 0.00 C ATOM 447 O THR A 31 -15.311 -3.917 6.123 1.00 0.00 O ATOM 448 CB THR A 31 -17.617 -2.274 7.726 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.014 -1.385 8.776 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.845 -3.714 8.160 1.00 0.00 C ATOM 0 H THR A 31 -16.477 -0.114 6.604 1.00 0.00 H new ATOM 0 HA THR A 31 -15.510 -2.411 8.175 1.00 0.00 H new ATOM 0 HB THR A 31 -18.219 -2.080 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.870 -0.967 8.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.897 -3.857 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.570 -4.387 7.348 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.232 -3.932 9.035 1.00 0.00 H new ATOM 458 N ASP A 32 -16.098 -2.169 4.945 1.00 0.00 N ATOM 459 CA ASP A 32 -15.833 -2.782 3.649 1.00 0.00 C ATOM 460 C ASP A 32 -15.146 -1.794 2.711 1.00 0.00 C ATOM 461 O ASP A 32 -14.991 -0.617 3.037 1.00 0.00 O ATOM 462 CB ASP A 32 -17.136 -3.279 3.021 1.00 0.00 C ATOM 463 CG ASP A 32 -18.087 -3.864 4.047 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.674 -4.785 4.782 1.00 0.00 O ATOM 465 OD2 ASP A 32 -19.244 -3.400 4.114 1.00 0.00 O ATOM 0 H ASP A 32 -16.513 -1.239 4.894 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.167 -3.630 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.626 -2.453 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.908 -4.034 2.269 1.00 0.00 H new ATOM 470 N LEU A 33 -14.736 -2.281 1.545 1.00 0.00 N ATOM 471 CA LEU A 33 -14.064 -1.442 0.559 1.00 0.00 C ATOM 472 C LEU A 33 -14.978 -1.159 -0.629 1.00 0.00 C ATOM 473 O LEU A 33 -14.518 -1.020 -1.762 1.00 0.00 O ATOM 474 CB LEU A 33 -12.778 -2.116 0.078 1.00 0.00 C ATOM 475 CG LEU A 33 -11.776 -2.503 1.166 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.882 -3.638 0.689 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.939 -1.299 1.573 1.00 0.00 C ATOM 0 H LEU A 33 -14.857 -3.253 1.259 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.814 -0.494 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.048 -3.015 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.281 -1.446 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.331 -2.847 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.175 -3.900 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.495 -4.507 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.335 -3.322 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.231 -1.593 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.393 -0.925 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.592 -0.515 1.956 1.00 0.00 H new ATOM 489 N THR A 34 -16.278 -1.073 -0.361 1.00 0.00 N ATOM 490 CA THR A 34 -17.257 -0.805 -1.407 1.00 0.00 C ATOM 491 C THR A 34 -18.226 0.294 -0.985 1.00 0.00 C ATOM 492 O THR A 34 -18.360 1.313 -1.663 1.00 0.00 O ATOM 493 CB THR A 34 -18.059 -2.071 -1.763 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.652 -2.624 -0.583 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.164 -3.110 -2.422 1.00 0.00 C ATOM 0 H THR A 34 -16.676 -1.185 0.571 1.00 0.00 H new ATOM 0 HA THR A 34 -16.700 -0.477 -2.285 1.00 0.00 H new ATOM 0 HB THR A 34 -18.844 -1.792 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.161 -3.427 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.752 -3.995 -2.665 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.738 -2.696 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.360 -3.384 -1.738 1.00 0.00 H new ATOM 503 N THR A 35 -18.901 0.081 0.141 1.00 0.00 N ATOM 504 CA THR A 35 -19.858 1.054 0.653 1.00 0.00 C ATOM 505 C THR A 35 -19.158 2.140 1.462 1.00 0.00 C ATOM 506 O THR A 35 -19.526 3.312 1.393 1.00 0.00 O ATOM 507 CB THR A 35 -20.926 0.379 1.535 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.298 -0.329 2.610 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.776 -0.580 0.717 1.00 0.00 C ATOM 0 H THR A 35 -18.802 -0.756 0.715 1.00 0.00 H new ATOM 0 HA THR A 35 -20.344 1.506 -0.212 1.00 0.00 H new ATOM 0 HB THR A 35 -21.573 1.156 1.942 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.984 -0.754 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.523 -1.044 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.276 -0.032 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 35 -21.140 -1.352 0.284 1.00 0.00 H new ATOM 517 N SER A 36 -18.148 1.742 2.229 1.00 0.00 N ATOM 518 CA SER A 36 -17.399 2.682 3.054 1.00 0.00 C ATOM 519 C SER A 36 -16.749 3.762 2.194 1.00 0.00 C ATOM 520 O SER A 36 -16.510 4.878 2.655 1.00 0.00 O ATOM 521 CB SER A 36 -16.329 1.944 3.862 1.00 0.00 C ATOM 522 OG SER A 36 -16.894 0.874 4.599 1.00 0.00 O ATOM 0 H SER A 36 -17.830 0.775 2.296 1.00 0.00 H new ATOM 0 HA SER A 36 -18.097 3.161 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.561 1.561 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.839 2.640 4.543 1.00 0.00 H new ATOM 0 HG SER A 36 -17.446 1.232 5.325 1.00 0.00 H new ATOM 528 N TRP A 37 -16.465 3.420 0.943 1.00 0.00 N ATOM 529 CA TRP A 37 -15.842 4.360 0.017 1.00 0.00 C ATOM 530 C TRP A 37 -16.819 4.773 -1.079 1.00 0.00 C ATOM 531 O TRP A 37 -16.411 5.123 -2.186 1.00 0.00 O ATOM 532 CB TRP A 37 -14.590 3.740 -0.606 1.00 0.00 C ATOM 533 CG TRP A 37 -13.732 3.012 0.384 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.043 1.859 1.047 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.423 3.389 0.824 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.006 1.497 1.873 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.000 2.419 1.754 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.566 4.451 0.521 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.759 2.482 2.382 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.335 4.512 1.146 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.940 3.532 2.067 1.00 0.00 C ATOM 0 H TRP A 37 -16.656 2.500 0.546 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.557 5.250 0.578 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.889 3.049 -1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.001 4.526 -1.078 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.968 1.312 0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.988 0.675 2.477 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.861 5.210 -0.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.453 1.729 3.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.666 5.329 0.921 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.971 3.607 2.537 1.00 0.00 H new ATOM 552 N ARG A 38 -18.109 4.730 -0.762 1.00 0.00 N ATOM 553 CA ARG A 38 -19.143 5.099 -1.721 1.00 0.00 C ATOM 554 C ARG A 38 -19.361 6.609 -1.731 1.00 0.00 C ATOM 555 O ARG A 38 -19.589 7.206 -2.783 1.00 0.00 O ATOM 556 CB ARG A 38 -20.455 4.386 -1.388 1.00 0.00 C ATOM 557 CG ARG A 38 -21.174 4.966 -0.181 1.00 0.00 C ATOM 558 CD ARG A 38 -22.202 3.994 0.375 1.00 0.00 C ATOM 559 NE ARG A 38 -22.877 4.527 1.556 1.00 0.00 N ATOM 560 CZ ARG A 38 -23.731 5.544 1.518 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.012 6.135 0.365 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.305 5.972 2.635 1.00 0.00 N ATOM 0 H ARG A 38 -18.463 4.444 0.151 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.811 4.790 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.116 4.437 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.249 3.331 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.447 5.211 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.667 5.897 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.941 3.769 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -21.712 3.055 0.631 1.00 0.00 H new ATOM 0 HE ARG A 38 -22.682 4.095 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -23.572 5.809 -0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -24.668 6.916 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -24.091 5.520 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -24.960 6.753 2.605 1.00 0.00 H new ATOM 576 N SER A 39 -19.289 7.220 -0.553 1.00 0.00 N ATOM 577 CA SER A 39 -19.483 8.660 -0.426 1.00 0.00 C ATOM 578 C SER A 39 -18.162 9.403 -0.600 1.00 0.00 C ATOM 579 O SER A 39 -18.088 10.401 -1.315 1.00 0.00 O ATOM 580 CB SER A 39 -20.094 8.995 0.936 1.00 0.00 C ATOM 581 OG SER A 39 -20.383 10.379 1.039 1.00 0.00 O ATOM 0 H SER A 39 -19.098 6.741 0.327 1.00 0.00 H new ATOM 0 HA SER A 39 -20.167 8.981 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.007 8.418 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.405 8.704 1.729 1.00 0.00 H new ATOM 0 HG SER A 39 -21.300 10.498 1.362 1.00 0.00 H new ATOM 587 N GLY A 40 -17.120 8.907 0.060 1.00 0.00 N ATOM 588 CA GLY A 40 -15.815 9.536 -0.034 1.00 0.00 C ATOM 589 C GLY A 40 -15.204 9.809 1.326 1.00 0.00 C ATOM 590 O GLY A 40 -13.983 9.763 1.487 1.00 0.00 O ATOM 0 H GLY A 40 -17.156 8.081 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.146 8.894 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.905 10.473 -0.583 1.00 0.00 H new ATOM 594 N LEU A 41 -16.052 10.097 2.307 1.00 0.00 N ATOM 595 CA LEU A 41 -15.588 10.381 3.661 1.00 0.00 C ATOM 596 C LEU A 41 -14.429 9.466 4.042 1.00 0.00 C ATOM 597 O LEU A 41 -13.463 9.900 4.670 1.00 0.00 O ATOM 598 CB LEU A 41 -16.735 10.213 4.659 1.00 0.00 C ATOM 599 CG LEU A 41 -17.971 11.080 4.414 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.122 10.631 5.300 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.650 12.547 4.656 1.00 0.00 C ATOM 0 H LEU A 41 -17.064 10.140 2.191 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.237 11.412 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.043 9.167 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.356 10.430 5.658 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.273 10.962 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.993 11.259 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.369 9.593 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.831 10.718 6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.541 13.149 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.322 12.682 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.857 12.863 3.978 1.00 0.00 H new ATOM 613 N ALA A 42 -14.531 8.198 3.657 1.00 0.00 N ATOM 614 CA ALA A 42 -13.489 7.223 3.955 1.00 0.00 C ATOM 615 C ALA A 42 -12.123 7.722 3.497 1.00 0.00 C ATOM 616 O ALA A 42 -11.232 7.962 4.313 1.00 0.00 O ATOM 617 CB ALA A 42 -13.812 5.889 3.301 1.00 0.00 C ATOM 0 H ALA A 42 -15.325 7.822 3.138 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.453 7.086 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.025 5.171 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.764 5.519 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.878 6.020 2.221 1.00 0.00 H new ATOM 623 N LEU A 43 -11.963 7.876 2.187 1.00 0.00 N ATOM 624 CA LEU A 43 -10.704 8.347 1.620 1.00 0.00 C ATOM 625 C LEU A 43 -10.365 9.743 2.130 1.00 0.00 C ATOM 626 O LEU A 43 -9.283 9.970 2.673 1.00 0.00 O ATOM 627 CB LEU A 43 -10.783 8.355 0.092 1.00 0.00 C ATOM 628 CG LEU A 43 -9.537 8.853 -0.641 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.335 7.984 -0.304 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.776 8.877 -2.144 1.00 0.00 C ATOM 0 H LEU A 43 -12.689 7.682 1.498 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.914 7.665 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.998 7.341 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.628 8.976 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.327 9.870 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.458 8.354 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.150 8.019 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.534 6.955 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.879 9.234 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.012 7.871 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.609 9.543 -2.369 1.00 0.00 H new ATOM 642 N CYS A 44 -11.296 10.674 1.954 1.00 0.00 N ATOM 643 CA CYS A 44 -11.096 12.049 2.399 1.00 0.00 C ATOM 644 C CYS A 44 -10.425 12.086 3.768 1.00 0.00 C ATOM 645 O CYS A 44 -9.542 12.907 4.016 1.00 0.00 O ATOM 646 CB CYS A 44 -12.433 12.789 2.453 1.00 0.00 C ATOM 647 SG CYS A 44 -13.121 13.192 0.830 1.00 0.00 S ATOM 0 H CYS A 44 -12.196 10.502 1.507 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.443 12.545 1.681 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.152 12.178 2.999 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.303 13.711 3.020 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.393 13.436 0.946 1.00 0.00 H new ATOM 653 N ALA A 45 -10.850 11.191 4.654 1.00 0.00 N ATOM 654 CA ALA A 45 -10.290 11.120 5.998 1.00 0.00 C ATOM 655 C ALA A 45 -8.784 10.884 5.953 1.00 0.00 C ATOM 656 O ALA A 45 -8.013 11.610 6.581 1.00 0.00 O ATOM 657 CB ALA A 45 -10.975 10.023 6.798 1.00 0.00 C ATOM 0 H ALA A 45 -11.581 10.505 4.465 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.467 12.077 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.547 9.981 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.042 10.236 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.828 9.064 6.301 1.00 0.00 H new ATOM 663 N ILE A 46 -8.372 9.863 5.208 1.00 0.00 N ATOM 664 CA ILE A 46 -6.958 9.532 5.082 1.00 0.00 C ATOM 665 C ILE A 46 -6.146 10.747 4.647 1.00 0.00 C ATOM 666 O ILE A 46 -5.166 11.116 5.297 1.00 0.00 O ATOM 667 CB ILE A 46 -6.735 8.391 4.072 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.494 7.137 4.511 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.250 8.095 3.927 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.776 6.174 3.379 1.00 0.00 C ATOM 0 H ILE A 46 -8.997 9.251 4.683 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.621 9.206 6.066 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.119 8.704 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.916 6.623 5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.438 7.435 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.108 7.286 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.734 8.988 3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.842 7.798 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.316 5.309 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.380 6.671 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.835 5.847 2.937 1.00 0.00 H new ATOM 682 N ILE A 47 -6.559 11.365 3.547 1.00 0.00 N ATOM 683 CA ILE A 47 -5.871 12.541 3.027 1.00 0.00 C ATOM 684 C ILE A 47 -5.781 13.637 4.083 1.00 0.00 C ATOM 685 O ILE A 47 -4.689 14.080 4.442 1.00 0.00 O ATOM 686 CB ILE A 47 -6.580 13.102 1.780 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.730 12.012 0.717 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.809 14.290 1.223 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.737 12.351 -0.359 1.00 0.00 C ATOM 0 H ILE A 47 -7.367 11.072 2.998 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.866 12.222 2.751 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.575 13.441 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.760 11.833 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.027 11.082 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.322 14.676 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.749 15.072 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.803 13.974 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.791 11.533 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.717 12.501 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.430 13.264 -0.870 1.00 0.00 H new ATOM 701 N HIS A 48 -6.935 14.069 4.580 1.00 0.00 N ATOM 702 CA HIS A 48 -6.987 15.112 5.598 1.00 0.00 C ATOM 703 C HIS A 48 -5.986 14.831 6.715 1.00 0.00 C ATOM 704 O HIS A 48 -5.263 15.725 7.153 1.00 0.00 O ATOM 705 CB HIS A 48 -8.398 15.220 6.177 1.00 0.00 C ATOM 706 CG HIS A 48 -8.447 15.893 7.514 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.297 15.213 8.705 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.629 17.192 7.845 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.386 16.066 9.710 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.587 17.274 9.215 1.00 0.00 N ATOM 0 H HIS A 48 -7.847 13.713 4.294 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.723 16.059 5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.027 15.772 5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.822 14.220 6.267 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -8.142 14.209 8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.779 18.012 7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.308 15.818 10.758 1.00 0.00 H new ATOM 719 N ARG A 49 -5.952 13.583 7.172 1.00 0.00 N ATOM 720 CA ARG A 49 -5.041 13.185 8.239 1.00 0.00 C ATOM 721 C ARG A 49 -3.658 13.795 8.029 1.00 0.00 C ATOM 722 O ARG A 49 -3.198 14.607 8.832 1.00 0.00 O ATOM 723 CB ARG A 49 -4.934 11.661 8.305 1.00 0.00 C ATOM 724 CG ARG A 49 -4.126 11.158 9.490 1.00 0.00 C ATOM 725 CD ARG A 49 -4.932 11.215 10.778 1.00 0.00 C ATOM 726 NE ARG A 49 -4.787 12.499 11.458 1.00 0.00 N ATOM 727 CZ ARG A 49 -5.051 12.682 12.747 1.00 0.00 C ATOM 728 NH1 ARG A 49 -5.472 11.669 13.491 1.00 0.00 N ATOM 729 NH2 ARG A 49 -4.894 13.881 13.294 1.00 0.00 N ATOM 0 H ARG A 49 -6.544 12.831 6.820 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.442 13.555 9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.937 11.237 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.478 11.297 7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.806 10.133 9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.223 11.759 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.984 11.040 10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.609 10.414 11.443 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.465 13.299 10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.594 10.746 13.074 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.674 11.812 14.480 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.570 14.663 12.725 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.097 14.021 14.284 1.00 0.00 H new ATOM 743 N PHE A 50 -3.001 13.397 6.945 1.00 0.00 N ATOM 744 CA PHE A 50 -1.669 13.902 6.630 1.00 0.00 C ATOM 745 C PHE A 50 -1.707 15.404 6.364 1.00 0.00 C ATOM 746 O PHE A 50 -0.920 16.165 6.927 1.00 0.00 O ATOM 747 CB PHE A 50 -1.098 13.171 5.414 1.00 0.00 C ATOM 748 CG PHE A 50 -1.009 11.683 5.596 1.00 0.00 C ATOM 749 CD1 PHE A 50 -2.086 10.868 5.289 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.153 11.099 6.075 1.00 0.00 C ATOM 751 CE1 PHE A 50 -2.008 9.498 5.455 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.238 9.729 6.243 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.844 8.928 5.934 1.00 0.00 C ATOM 0 H PHE A 50 -3.369 12.727 6.270 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.025 13.719 7.490 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.721 13.386 4.546 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.104 13.563 5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.998 11.309 4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.002 11.721 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.855 8.874 5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.150 9.286 6.616 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.780 7.858 6.067 1.00 0.00 H new ATOM 763 N ARG A 51 -2.626 15.823 5.500 1.00 0.00 N ATOM 764 CA ARG A 51 -2.766 17.233 5.157 1.00 0.00 C ATOM 765 C ARG A 51 -4.226 17.668 5.230 1.00 0.00 C ATOM 766 O ARG A 51 -4.973 17.589 4.254 1.00 0.00 O ATOM 767 CB ARG A 51 -2.214 17.495 3.755 1.00 0.00 C ATOM 768 CG ARG A 51 -0.704 17.665 3.716 1.00 0.00 C ATOM 769 CD ARG A 51 -0.290 19.068 4.133 1.00 0.00 C ATOM 770 NE ARG A 51 1.154 19.264 4.037 1.00 0.00 N ATOM 771 CZ ARG A 51 2.026 18.723 4.881 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.603 17.957 5.877 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.325 18.948 4.728 1.00 0.00 N ATOM 0 H ARG A 51 -3.285 15.206 5.025 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.195 17.816 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.495 16.668 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.683 18.393 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.237 16.935 4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.340 17.461 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.798 19.798 3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.613 19.252 5.158 1.00 0.00 H new ATOM 0 HE ARG A 51 1.512 19.848 3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.605 17.781 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.275 17.543 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.654 19.536 3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.994 18.533 5.376 1.00 0.00 H new ATOM 787 N PRO A 52 -4.645 18.139 6.414 1.00 0.00 N ATOM 788 CA PRO A 52 -6.019 18.596 6.644 1.00 0.00 C ATOM 789 C PRO A 52 -6.328 19.895 5.907 1.00 0.00 C ATOM 790 O PRO A 52 -7.474 20.341 5.871 1.00 0.00 O ATOM 791 CB PRO A 52 -6.072 18.814 8.158 1.00 0.00 C ATOM 792 CG PRO A 52 -4.661 19.079 8.552 1.00 0.00 C ATOM 793 CD PRO A 52 -3.809 18.262 7.621 1.00 0.00 C ATOM 0 HA PRO A 52 -6.754 17.879 6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.719 19.653 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.468 17.937 8.671 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.425 20.140 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.486 18.796 9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.862 18.756 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.570 17.287 8.046 1.00 0.00 H new ATOM 801 N GLU A 53 -5.298 20.498 5.321 1.00 0.00 N ATOM 802 CA GLU A 53 -5.461 21.746 4.586 1.00 0.00 C ATOM 803 C GLU A 53 -6.113 21.498 3.229 1.00 0.00 C ATOM 804 O GLU A 53 -6.890 22.319 2.741 1.00 0.00 O ATOM 805 CB GLU A 53 -4.107 22.433 4.396 1.00 0.00 C ATOM 806 CG GLU A 53 -3.079 21.567 3.687 1.00 0.00 C ATOM 807 CD GLU A 53 -1.735 22.254 3.545 1.00 0.00 C ATOM 808 OE1 GLU A 53 -0.915 22.154 4.481 1.00 0.00 O ATOM 809 OE2 GLU A 53 -1.504 22.893 2.497 1.00 0.00 O ATOM 0 H GLU A 53 -4.342 20.142 5.341 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.112 22.398 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.252 23.351 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.716 22.722 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.950 20.636 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.453 21.301 2.698 1.00 0.00 H new ATOM 816 N LEU A 54 -5.790 20.360 2.624 1.00 0.00 N ATOM 817 CA LEU A 54 -6.342 20.001 1.323 1.00 0.00 C ATOM 818 C LEU A 54 -7.822 19.651 1.437 1.00 0.00 C ATOM 819 O LEU A 54 -8.647 20.139 0.664 1.00 0.00 O ATOM 820 CB LEU A 54 -5.572 18.822 0.727 1.00 0.00 C ATOM 821 CG LEU A 54 -4.056 18.992 0.626 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.394 17.677 0.245 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.707 20.078 -0.381 1.00 0.00 C ATOM 0 H LEU A 54 -5.148 19.670 3.014 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.241 20.863 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.779 17.937 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.963 18.626 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.679 19.295 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.315 17.819 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.615 16.925 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.777 17.343 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.624 20.185 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.098 19.805 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.148 21.023 -0.065 1.00 0.00 H new ATOM 835 N ILE A 55 -8.151 18.805 2.407 1.00 0.00 N ATOM 836 CA ILE A 55 -9.532 18.392 2.625 1.00 0.00 C ATOM 837 C ILE A 55 -9.976 18.687 4.054 1.00 0.00 C ATOM 838 O ILE A 55 -9.215 18.496 5.002 1.00 0.00 O ATOM 839 CB ILE A 55 -9.723 16.891 2.340 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.336 16.571 0.894 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.162 16.478 2.612 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.535 15.118 0.523 1.00 0.00 C ATOM 0 H ILE A 55 -7.480 18.392 3.055 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.145 18.966 1.931 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.071 16.325 3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.927 17.193 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.291 16.837 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.280 15.414 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.406 16.675 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.832 17.049 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.241 14.964 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.923 14.490 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.585 14.852 0.646 1.00 0.00 H new ATOM 854 N ASN A 56 -11.212 19.152 4.200 1.00 0.00 N ATOM 855 CA ASN A 56 -11.758 19.472 5.514 1.00 0.00 C ATOM 856 C ASN A 56 -12.980 18.611 5.820 1.00 0.00 C ATOM 857 O ASN A 56 -14.100 18.943 5.431 1.00 0.00 O ATOM 858 CB ASN A 56 -12.133 20.954 5.586 1.00 0.00 C ATOM 859 CG ASN A 56 -12.351 21.426 7.011 1.00 0.00 C ATOM 860 OD1 ASN A 56 -11.587 21.085 7.913 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.399 22.215 7.218 1.00 0.00 N ATOM 0 H ASN A 56 -11.855 19.316 3.425 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.992 19.261 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.344 21.549 5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.040 21.125 5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.597 22.564 8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.006 22.472 6.439 1.00 0.00 H new ATOM 868 N PHE A 57 -12.756 17.504 6.520 1.00 0.00 N ATOM 869 CA PHE A 57 -13.838 16.594 6.878 1.00 0.00 C ATOM 870 C PHE A 57 -15.018 17.359 7.470 1.00 0.00 C ATOM 871 O PHE A 57 -16.173 17.100 7.132 1.00 0.00 O ATOM 872 CB PHE A 57 -13.342 15.546 7.877 1.00 0.00 C ATOM 873 CG PHE A 57 -14.254 14.360 8.003 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.300 14.366 8.912 1.00 0.00 C ATOM 875 CD2 PHE A 57 -14.066 13.238 7.212 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.140 13.275 9.030 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.903 12.144 7.325 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.942 12.163 8.235 1.00 0.00 C ATOM 0 H PHE A 57 -11.835 17.215 6.851 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.172 16.091 5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.353 15.203 7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.229 16.013 8.855 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.461 15.233 9.535 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.256 13.218 6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.951 13.292 9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.745 11.276 6.703 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.598 11.310 8.325 1.00 0.00 H new ATOM 888 N ASP A 58 -14.719 18.303 8.356 1.00 0.00 N ATOM 889 CA ASP A 58 -15.754 19.107 8.996 1.00 0.00 C ATOM 890 C ASP A 58 -16.721 19.671 7.960 1.00 0.00 C ATOM 891 O ASP A 58 -17.924 19.765 8.206 1.00 0.00 O ATOM 892 CB ASP A 58 -15.122 20.247 9.797 1.00 0.00 C ATOM 893 CG ASP A 58 -14.691 19.811 11.183 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.750 18.996 11.283 1.00 0.00 O ATOM 895 OD2 ASP A 58 -15.295 20.284 12.169 1.00 0.00 O ATOM 0 H ASP A 58 -13.768 18.530 8.647 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.312 18.463 9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.258 20.632 9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.836 21.066 9.883 1.00 0.00 H new ATOM 900 N SER A 59 -16.187 20.047 6.802 1.00 0.00 N ATOM 901 CA SER A 59 -17.003 20.608 5.731 1.00 0.00 C ATOM 902 C SER A 59 -17.674 19.501 4.924 1.00 0.00 C ATOM 903 O SER A 59 -18.839 19.614 4.540 1.00 0.00 O ATOM 904 CB SER A 59 -16.145 21.477 4.810 1.00 0.00 C ATOM 905 OG SER A 59 -16.807 21.729 3.583 1.00 0.00 O ATOM 0 H SER A 59 -15.194 19.973 6.582 1.00 0.00 H new ATOM 0 HA SER A 59 -17.779 21.226 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.917 22.421 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.194 20.980 4.618 1.00 0.00 H new ATOM 0 HG SER A 59 -16.238 22.288 3.013 1.00 0.00 H new ATOM 911 N LEU A 60 -16.930 18.430 4.668 1.00 0.00 N ATOM 912 CA LEU A 60 -17.452 17.300 3.906 1.00 0.00 C ATOM 913 C LEU A 60 -18.769 16.807 4.497 1.00 0.00 C ATOM 914 O LEU A 60 -18.821 16.377 5.648 1.00 0.00 O ATOM 915 CB LEU A 60 -16.431 16.161 3.882 1.00 0.00 C ATOM 916 CG LEU A 60 -15.035 16.521 3.374 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.119 15.308 3.424 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.110 17.076 1.959 1.00 0.00 C ATOM 0 H LEU A 60 -15.964 18.320 4.977 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.637 17.635 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.337 15.763 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.827 15.359 3.259 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.620 17.291 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.130 15.584 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.040 14.954 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.529 14.516 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.107 17.327 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.545 16.327 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.731 17.972 1.952 1.00 0.00 H new ATOM 930 N ASN A 61 -19.830 16.869 3.699 1.00 0.00 N ATOM 931 CA ASN A 61 -21.147 16.427 4.142 1.00 0.00 C ATOM 932 C ASN A 61 -21.477 15.049 3.575 1.00 0.00 C ATOM 933 O ASN A 61 -21.555 14.870 2.361 1.00 0.00 O ATOM 934 CB ASN A 61 -22.216 17.435 3.717 1.00 0.00 C ATOM 935 CG ASN A 61 -23.561 16.781 3.465 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.903 15.779 4.094 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.330 17.345 2.542 1.00 0.00 N ATOM 0 H ASN A 61 -19.803 17.221 2.742 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.133 16.359 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.324 18.194 4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.889 17.947 2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.245 16.949 2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.006 18.175 2.045 1.00 0.00 H new ATOM 944 N GLU A 62 -21.671 14.081 4.465 1.00 0.00 N ATOM 945 CA GLU A 62 -21.992 12.719 4.053 1.00 0.00 C ATOM 946 C GLU A 62 -22.975 12.722 2.885 1.00 0.00 C ATOM 947 O GLU A 62 -22.764 12.041 1.882 1.00 0.00 O ATOM 948 CB GLU A 62 -22.580 11.933 5.227 1.00 0.00 C ATOM 949 CG GLU A 62 -22.810 10.463 4.920 1.00 0.00 C ATOM 950 CD GLU A 62 -23.355 9.697 6.110 1.00 0.00 C ATOM 951 OE1 GLU A 62 -24.313 10.188 6.744 1.00 0.00 O ATOM 952 OE2 GLU A 62 -22.824 8.607 6.407 1.00 0.00 O ATOM 0 H GLU A 62 -21.612 14.214 5.475 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.070 12.237 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.909 12.016 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.527 12.387 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.506 10.374 4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.871 10.011 4.601 1.00 0.00 H new ATOM 959 N ASP A 63 -24.048 13.492 3.025 1.00 0.00 N ATOM 960 CA ASP A 63 -25.063 13.585 1.982 1.00 0.00 C ATOM 961 C ASP A 63 -24.459 14.101 0.680 1.00 0.00 C ATOM 962 O ASP A 63 -24.873 13.703 -0.409 1.00 0.00 O ATOM 963 CB ASP A 63 -26.202 14.502 2.430 1.00 0.00 C ATOM 964 CG ASP A 63 -27.302 13.750 3.152 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.457 12.537 2.897 1.00 0.00 O ATOM 966 OD2 ASP A 63 -28.008 14.373 3.973 1.00 0.00 O ATOM 0 H ASP A 63 -24.238 14.061 3.850 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.460 12.585 1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -25.804 15.276 3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -26.622 15.007 1.560 1.00 0.00 H new ATOM 971 N ASP A 64 -23.480 14.991 0.800 1.00 0.00 N ATOM 972 CA ASP A 64 -22.819 15.562 -0.368 1.00 0.00 C ATOM 973 C ASP A 64 -21.736 14.624 -0.893 1.00 0.00 C ATOM 974 O ASP A 64 -20.600 15.038 -1.122 1.00 0.00 O ATOM 975 CB ASP A 64 -22.209 16.921 -0.021 1.00 0.00 C ATOM 976 CG ASP A 64 -23.225 18.044 -0.082 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.152 17.962 -0.916 1.00 0.00 O ATOM 978 OD2 ASP A 64 -23.095 19.005 0.705 1.00 0.00 O ATOM 0 H ASP A 64 -23.127 15.333 1.694 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.568 15.696 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.779 16.878 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.392 17.136 -0.710 1.00 0.00 H new ATOM 983 N ALA A 65 -22.097 13.358 -1.079 1.00 0.00 N ATOM 984 CA ALA A 65 -21.157 12.362 -1.578 1.00 0.00 C ATOM 985 C ALA A 65 -20.560 12.790 -2.914 1.00 0.00 C ATOM 986 O ALA A 65 -19.350 12.981 -3.032 1.00 0.00 O ATOM 987 CB ALA A 65 -21.843 11.010 -1.712 1.00 0.00 C ATOM 0 H ALA A 65 -23.033 12.999 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.343 12.274 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.130 10.275 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.214 10.692 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.677 11.093 -2.409 1.00 0.00 H new ATOM 993 N VAL A 66 -21.418 12.939 -3.919 1.00 0.00 N ATOM 994 CA VAL A 66 -20.975 13.345 -5.248 1.00 0.00 C ATOM 995 C VAL A 66 -19.820 14.336 -5.163 1.00 0.00 C ATOM 996 O VAL A 66 -18.810 14.187 -5.851 1.00 0.00 O ATOM 997 CB VAL A 66 -22.124 13.980 -6.053 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.615 14.509 -7.385 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.246 12.975 -6.263 1.00 0.00 C ATOM 0 H VAL A 66 -22.423 12.785 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.639 12.443 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.521 14.820 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.441 14.954 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.849 15.264 -7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.190 13.689 -7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -24.050 13.441 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.865 12.113 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.629 12.650 -5.296 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.976 15.347 -4.314 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.945 16.363 -4.140 1.00 0.00 C ATOM 1011 C GLU A 67 -17.762 15.809 -3.351 1.00 0.00 C ATOM 1012 O GLU A 67 -16.607 16.011 -3.721 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.520 17.588 -3.426 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.229 18.558 -4.356 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.313 19.960 -3.783 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -19.471 20.303 -2.928 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -21.222 20.713 -4.191 1.00 0.00 O ATOM 0 H GLU A 67 -20.806 15.484 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.593 16.659 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.220 17.256 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.713 18.112 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.703 18.590 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.235 18.191 -4.559 1.00 0.00 H new ATOM 1024 N ASN A 68 -18.062 15.111 -2.260 1.00 0.00 N ATOM 1025 CA ASN A 68 -17.024 14.528 -1.417 1.00 0.00 C ATOM 1026 C ASN A 68 -16.018 13.746 -2.255 1.00 0.00 C ATOM 1027 O ASN A 68 -14.823 14.038 -2.241 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.649 13.612 -0.363 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.378 14.387 0.718 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -18.131 15.576 0.918 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.281 13.713 1.421 1.00 0.00 N ATOM 0 H ASN A 68 -19.014 14.936 -1.939 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.498 15.341 -0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.345 12.927 -0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.869 13.003 0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.803 14.181 2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.452 12.728 1.220 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.511 12.750 -2.985 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.655 11.925 -3.830 1.00 0.00 C ATOM 1040 C ASN A 69 -14.890 12.784 -4.833 1.00 0.00 C ATOM 1041 O ASN A 69 -13.674 12.941 -4.730 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.490 10.878 -4.569 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.103 9.858 -3.630 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.409 9.259 -2.808 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.410 9.656 -3.748 1.00 0.00 N ATOM 0 H ASN A 69 -17.498 12.495 -3.008 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.934 11.418 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.283 11.377 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.862 10.365 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.878 8.982 -3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -18.946 10.175 -4.444 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.613 13.338 -5.801 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.002 14.180 -6.822 1.00 0.00 C ATOM 1054 C GLN A 70 -13.875 15.022 -6.232 1.00 0.00 C ATOM 1055 O GLN A 70 -12.816 15.176 -6.842 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.054 15.090 -7.459 1.00 0.00 C ATOM 1057 CG GLN A 70 -16.736 14.476 -8.671 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.980 14.735 -9.959 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -16.218 15.731 -10.643 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -15.062 13.837 -10.297 1.00 0.00 N ATOM 0 H GLN A 70 -16.621 13.219 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.581 13.529 -7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.810 15.336 -6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.581 16.027 -7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.835 13.401 -8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.745 14.879 -8.759 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.898 13.026 -9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.521 13.958 -11.153 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.110 15.565 -5.043 1.00 0.00 N ATOM 1070 CA LEU A 71 -13.115 16.391 -4.369 1.00 0.00 C ATOM 1071 C LEU A 71 -11.836 15.601 -4.109 1.00 0.00 C ATOM 1072 O LEU A 71 -10.758 15.978 -4.567 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.675 16.925 -3.050 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.707 17.737 -2.189 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.323 19.030 -2.892 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -13.320 18.031 -0.828 1.00 0.00 C ATOM 0 H LEU A 71 -14.981 15.448 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.875 17.231 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.542 17.547 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.032 16.080 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.803 17.146 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.634 19.595 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.842 18.798 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.218 19.625 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.616 18.610 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.240 18.601 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.544 17.093 -0.319 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.966 14.502 -3.373 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.822 13.656 -3.056 1.00 0.00 C ATOM 1090 C ALA A 72 -10.072 13.251 -4.320 1.00 0.00 C ATOM 1091 O ALA A 72 -8.841 13.283 -4.362 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.274 12.422 -2.290 1.00 0.00 C ATOM 0 H ALA A 72 -12.852 14.177 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.140 14.230 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.409 11.799 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.759 12.727 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.978 11.854 -2.898 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.820 12.868 -5.350 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.225 12.454 -6.615 1.00 0.00 C ATOM 1100 C PHE A 73 -9.416 13.591 -7.233 1.00 0.00 C ATOM 1101 O PHE A 73 -8.254 13.413 -7.598 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.313 11.999 -7.590 1.00 0.00 C ATOM 1103 CG PHE A 73 -11.978 10.713 -7.188 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.222 9.617 -6.807 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.359 10.602 -7.192 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -11.831 8.432 -6.436 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -13.973 9.420 -6.822 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.208 8.334 -6.445 1.00 0.00 C ATOM 0 H PHE A 73 -11.839 12.836 -5.333 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.553 11.619 -6.416 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.069 12.780 -7.669 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.875 11.878 -8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.144 9.688 -6.800 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.962 11.448 -7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.230 7.585 -6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.050 9.346 -6.828 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.686 7.409 -6.158 1.00 0.00 H new ATOM 1118 N ASP A 74 -10.040 14.758 -7.348 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.379 15.925 -7.921 1.00 0.00 C ATOM 1120 C ASP A 74 -8.138 16.298 -7.115 1.00 0.00 C ATOM 1121 O ASP A 74 -7.086 16.598 -7.679 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.344 17.110 -7.973 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.881 18.193 -8.928 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.341 17.847 -10.000 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -10.060 19.385 -8.604 1.00 0.00 O ATOM 0 H ASP A 74 -11.002 14.921 -7.052 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.069 15.674 -8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.330 16.759 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.450 17.532 -6.974 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.270 16.277 -5.793 1.00 0.00 N ATOM 1131 CA VAL A 75 -7.160 16.612 -4.909 1.00 0.00 C ATOM 1132 C VAL A 75 -5.994 15.649 -5.100 1.00 0.00 C ATOM 1133 O VAL A 75 -4.831 16.040 -5.012 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.593 16.590 -3.431 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.395 16.812 -2.520 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.669 17.635 -3.176 1.00 0.00 C ATOM 0 H VAL A 75 -9.134 16.032 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.840 17.621 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.012 15.609 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.720 16.793 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.661 16.023 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.944 17.779 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.963 17.606 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.280 18.624 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.536 17.425 -3.802 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.315 14.386 -5.364 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.294 13.366 -5.570 1.00 0.00 C ATOM 1148 C ALA A 76 -4.728 13.435 -6.984 1.00 0.00 C ATOM 1149 O ALA A 76 -3.538 13.205 -7.198 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.866 11.983 -5.295 1.00 0.00 C ATOM 0 H ALA A 76 -7.273 14.045 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.480 13.555 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.093 11.231 -5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.216 11.932 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.700 11.793 -5.971 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.588 13.752 -7.947 1.00 0.00 N ATOM 1157 CA GLU A 77 -5.172 13.848 -9.341 1.00 0.00 C ATOM 1158 C GLU A 77 -4.450 15.167 -9.603 1.00 0.00 C ATOM 1159 O GLU A 77 -3.765 15.322 -10.614 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.384 13.725 -10.268 1.00 0.00 C ATOM 1161 CG GLU A 77 -6.016 13.458 -11.718 1.00 0.00 C ATOM 1162 CD GLU A 77 -7.073 13.949 -12.687 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -8.168 13.351 -12.726 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -6.805 14.933 -13.408 1.00 0.00 O ATOM 0 H GLU A 77 -6.576 13.947 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.483 13.029 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.024 12.919 -9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.968 14.644 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.067 13.945 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.867 12.388 -11.860 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.610 16.115 -8.685 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.975 17.421 -8.817 1.00 0.00 C ATOM 1173 C ARG A 78 -2.689 17.485 -7.998 1.00 0.00 C ATOM 1174 O ARG A 78 -1.706 18.094 -8.418 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.934 18.525 -8.368 1.00 0.00 C ATOM 1176 CG ARG A 78 -5.962 18.905 -9.422 1.00 0.00 C ATOM 1177 CD ARG A 78 -5.354 19.789 -10.499 1.00 0.00 C ATOM 1178 NE ARG A 78 -6.344 20.206 -11.488 1.00 0.00 N ATOM 1179 CZ ARG A 78 -6.171 21.232 -12.315 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -5.051 21.941 -12.271 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -7.119 21.550 -13.187 1.00 0.00 N ATOM 0 H ARG A 78 -5.174 16.003 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.724 17.572 -9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.453 18.199 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.356 19.410 -8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.369 18.002 -9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.794 19.426 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.910 20.671 -10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.548 19.251 -10.998 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.216 19.681 -11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.320 21.699 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.920 22.728 -12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.982 21.007 -13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.985 22.338 -13.821 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.706 16.854 -6.829 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.541 16.842 -5.951 1.00 0.00 C ATOM 1197 C GLU A 79 -0.682 15.606 -6.205 1.00 0.00 C ATOM 1198 O GLU A 79 0.513 15.714 -6.481 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.979 16.880 -4.486 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.787 18.114 -4.124 1.00 0.00 C ATOM 1201 CD GLU A 79 -1.998 19.398 -4.290 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.766 19.369 -4.086 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -2.613 20.433 -4.625 1.00 0.00 O ATOM 0 H GLU A 79 -3.512 16.345 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.945 17.729 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.572 15.991 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.095 16.836 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.678 18.156 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.126 18.031 -3.091 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.299 14.434 -6.109 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.592 13.177 -6.326 1.00 0.00 C ATOM 1212 C PHE A 80 -0.498 12.856 -7.815 1.00 0.00 C ATOM 1213 O PHE A 80 0.379 12.110 -8.246 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.297 12.036 -5.590 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.614 12.353 -4.156 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.639 12.865 -3.315 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.886 12.140 -3.650 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.928 13.156 -1.995 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -3.180 12.430 -2.331 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.200 12.940 -1.503 1.00 0.00 C ATOM 0 H PHE A 80 -2.288 14.328 -5.882 1.00 0.00 H new ATOM 0 HA PHE A 80 0.418 13.285 -5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.222 11.794 -6.113 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.668 11.147 -5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.357 13.038 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.657 11.743 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.159 13.552 -1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.175 12.258 -1.948 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.428 13.170 -0.473 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.412 13.425 -8.596 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.416 13.188 -10.027 1.00 0.00 C ATOM 1232 C GLY A 81 -1.853 11.780 -10.380 1.00 0.00 C ATOM 1233 O GLY A 81 -1.368 11.197 -11.350 1.00 0.00 O ATOM 0 H GLY A 81 -2.149 14.046 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.082 13.904 -10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.417 13.365 -10.424 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.769 11.231 -9.590 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.270 9.882 -9.824 1.00 0.00 C ATOM 1239 C ILE A 82 -4.679 9.912 -10.405 1.00 0.00 C ATOM 1240 O ILE A 82 -5.621 10.412 -9.789 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.280 9.052 -8.526 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.872 8.980 -7.931 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.819 7.655 -8.795 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.826 8.331 -6.565 1.00 0.00 C ATOM 0 H ILE A 82 -3.180 11.699 -8.782 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.594 9.414 -10.540 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.935 9.540 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.227 8.423 -8.611 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.465 9.988 -7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.820 7.081 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.837 7.725 -9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.187 7.157 -9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.797 8.314 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.444 8.900 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.203 7.311 -6.634 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.830 9.363 -11.620 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.122 9.313 -12.311 1.00 0.00 C ATOM 1258 C PRO A 83 -7.098 8.347 -11.645 1.00 0.00 C ATOM 1259 O PRO A 83 -6.818 7.159 -11.482 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.755 8.821 -13.713 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.487 8.061 -13.528 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.751 8.750 -12.412 1.00 0.00 C ATOM 0 HA PRO A 83 -6.627 10.279 -12.302 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.539 8.188 -14.128 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.620 9.654 -14.402 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.689 7.020 -13.278 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.895 8.060 -14.444 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.168 8.045 -11.819 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.056 9.499 -12.791 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.270 8.867 -11.253 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.311 8.067 -10.600 1.00 0.00 C ATOM 1272 C PRO A 84 -9.960 7.071 -11.554 1.00 0.00 C ATOM 1273 O PRO A 84 -10.268 7.402 -12.699 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.331 9.115 -10.146 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.135 10.262 -11.077 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.670 10.274 -11.416 1.00 0.00 C ATOM 0 HA PRO A 84 -8.910 7.462 -9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.348 8.728 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.160 9.411 -9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.742 10.144 -11.974 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.435 11.200 -10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.496 10.626 -12.433 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.109 10.931 -10.751 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.167 5.848 -11.075 1.00 0.00 N ATOM 1285 CA VAL A 85 -10.781 4.803 -11.886 1.00 0.00 C ATOM 1286 C VAL A 85 -12.253 5.105 -12.148 1.00 0.00 C ATOM 1287 O VAL A 85 -12.810 4.698 -13.168 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.664 3.425 -11.208 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.203 3.025 -11.061 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.361 3.436 -9.856 1.00 0.00 C ATOM 0 H VAL A 85 -9.918 5.557 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.243 4.780 -12.834 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.157 2.685 -11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.140 2.049 -10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.739 2.975 -12.046 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.683 3.764 -10.452 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.269 2.455 -9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.899 4.186 -9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.416 3.675 -9.992 1.00 0.00 H new ATOM 1300 N THR A 86 -12.878 5.822 -11.219 1.00 0.00 N ATOM 1301 CA THR A 86 -14.286 6.178 -11.349 1.00 0.00 C ATOM 1302 C THR A 86 -14.520 7.638 -10.978 1.00 0.00 C ATOM 1303 O THR A 86 -13.703 8.254 -10.292 1.00 0.00 O ATOM 1304 CB THR A 86 -15.175 5.286 -10.462 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.546 5.680 -10.589 1.00 0.00 O ATOM 1306 CG2 THR A 86 -14.749 5.375 -9.005 1.00 0.00 C ATOM 0 H THR A 86 -12.432 6.167 -10.369 1.00 0.00 H new ATOM 0 HA THR A 86 -14.556 6.023 -12.394 1.00 0.00 H new ATOM 0 HB THR A 86 -15.062 4.254 -10.794 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.105 5.107 -10.023 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.391 4.737 -8.398 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.714 5.046 -8.908 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.835 6.406 -8.663 1.00 0.00 H new ATOM 1314 N THR A 87 -15.641 8.187 -11.434 1.00 0.00 N ATOM 1315 CA THR A 87 -15.982 9.576 -11.150 1.00 0.00 C ATOM 1316 C THR A 87 -16.923 9.677 -9.955 1.00 0.00 C ATOM 1317 O THR A 87 -17.905 8.942 -9.861 1.00 0.00 O ATOM 1318 CB THR A 87 -16.641 10.252 -12.367 1.00 0.00 C ATOM 1319 OG1 THR A 87 -17.857 9.575 -12.705 1.00 0.00 O ATOM 1320 CG2 THR A 87 -15.702 10.247 -13.563 1.00 0.00 C ATOM 0 H THR A 87 -16.328 7.691 -12.002 1.00 0.00 H new ATOM 0 HA THR A 87 -15.049 10.090 -10.919 1.00 0.00 H new ATOM 0 HB THR A 87 -16.863 11.286 -12.104 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.271 10.012 -13.479 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.189 10.730 -14.410 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.790 10.789 -13.312 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.452 9.219 -13.825 1.00 0.00 H new ATOM 1328 N GLY A 88 -16.617 10.595 -9.043 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.446 10.776 -7.865 1.00 0.00 C ATOM 1330 C GLY A 88 -18.921 10.581 -8.159 1.00 0.00 C ATOM 1331 O GLY A 88 -19.618 9.872 -7.433 1.00 0.00 O ATOM 0 H GLY A 88 -15.810 11.216 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.136 10.070 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.288 11.777 -7.463 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.398 11.213 -9.226 1.00 0.00 N ATOM 1336 CA LYS A 89 -20.799 11.108 -9.615 1.00 0.00 C ATOM 1337 C LYS A 89 -21.252 9.651 -9.627 1.00 0.00 C ATOM 1338 O LYS A 89 -22.242 9.294 -8.990 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.015 11.731 -10.995 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.064 13.249 -10.976 1.00 0.00 C ATOM 1341 CD LYS A 89 -21.735 13.802 -12.222 1.00 0.00 C ATOM 1342 CE LYS A 89 -22.259 15.212 -11.995 1.00 0.00 C ATOM 1343 NZ LYS A 89 -22.439 15.950 -13.276 1.00 0.00 N ATOM 0 H LYS A 89 -18.834 11.804 -9.837 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.395 11.650 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.212 11.410 -11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -21.947 11.351 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.605 13.585 -10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.051 13.645 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -21.024 13.806 -13.048 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.558 13.149 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.211 15.165 -11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.566 15.758 -11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.797 16.906 -13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.526 16.017 -13.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -23.120 15.442 -13.876 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.520 8.814 -10.356 1.00 0.00 N ATOM 1358 CA GLU A 90 -20.847 7.396 -10.449 1.00 0.00 C ATOM 1359 C GLU A 90 -20.537 6.679 -9.139 1.00 0.00 C ATOM 1360 O GLU A 90 -21.349 5.901 -8.638 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.070 6.746 -11.596 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.246 5.238 -11.671 1.00 0.00 C ATOM 1363 CD GLU A 90 -20.039 4.696 -13.073 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -18.997 5.011 -13.683 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -20.921 3.957 -13.558 1.00 0.00 O ATOM 0 H GLU A 90 -19.697 9.093 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.915 7.307 -10.647 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.392 7.189 -12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.010 6.975 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.540 4.759 -10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.247 4.975 -11.328 1.00 0.00 H new ATOM 1372 N MET A 91 -19.357 6.946 -8.589 1.00 0.00 N ATOM 1373 CA MET A 91 -18.940 6.327 -7.337 1.00 0.00 C ATOM 1374 C MET A 91 -20.097 6.275 -6.344 1.00 0.00 C ATOM 1375 O MET A 91 -20.308 5.263 -5.675 1.00 0.00 O ATOM 1376 CB MET A 91 -17.765 7.096 -6.729 1.00 0.00 C ATOM 1377 CG MET A 91 -17.120 6.387 -5.549 1.00 0.00 C ATOM 1378 SD MET A 91 -16.184 4.927 -6.044 1.00 0.00 S ATOM 1379 CE MET A 91 -17.114 3.635 -5.223 1.00 0.00 C ATOM 0 H MET A 91 -18.673 7.587 -8.991 1.00 0.00 H new ATOM 0 HA MET A 91 -18.624 5.307 -7.553 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.012 7.261 -7.499 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.112 8.078 -6.407 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.457 7.080 -5.031 1.00 0.00 H new ATOM 0 HG3 MET A 91 -17.893 6.095 -4.839 1.00 0.00 H new ATOM 0 HE1 MET A 91 -16.900 2.676 -5.695 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.829 3.593 -4.172 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.180 3.848 -5.301 1.00 0.00 H new ATOM 1389 N ALA A 92 -20.843 7.371 -6.253 1.00 0.00 N ATOM 1390 CA ALA A 92 -21.979 7.449 -5.344 1.00 0.00 C ATOM 1391 C ALA A 92 -23.238 6.878 -5.988 1.00 0.00 C ATOM 1392 O ALA A 92 -24.040 6.219 -5.328 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.211 8.889 -4.911 1.00 0.00 C ATOM 0 H ALA A 92 -20.681 8.218 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.750 6.849 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.063 8.932 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.323 9.264 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.414 9.504 -5.788 1.00 0.00 H new ATOM 1399 N SER A 93 -23.405 7.138 -7.281 1.00 0.00 N ATOM 1400 CA SER A 93 -24.569 6.654 -8.013 1.00 0.00 C ATOM 1401 C SER A 93 -24.686 5.136 -7.907 1.00 0.00 C ATOM 1402 O SER A 93 -25.688 4.612 -7.423 1.00 0.00 O ATOM 1403 CB SER A 93 -24.482 7.069 -9.483 1.00 0.00 C ATOM 1404 OG SER A 93 -25.773 7.216 -10.049 1.00 0.00 O ATOM 0 H SER A 93 -22.749 7.681 -7.843 1.00 0.00 H new ATOM 0 HA SER A 93 -25.458 7.101 -7.569 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.936 8.008 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 93 -23.919 6.322 -10.042 1.00 0.00 H new ATOM 0 HG SER A 93 -25.690 7.483 -10.988 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.652 4.437 -8.365 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.637 2.980 -8.321 1.00 0.00 C ATOM 1412 C ALA A 94 -23.896 2.471 -6.907 1.00 0.00 C ATOM 1413 O ALA A 94 -23.075 2.661 -6.009 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.308 2.450 -8.839 1.00 0.00 C ATOM 0 H ALA A 94 -22.815 4.856 -8.770 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.437 2.614 -8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.311 1.361 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.163 2.776 -9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.497 2.833 -8.219 1.00 0.00 H new ATOM 1420 N GLN A 95 -25.042 1.825 -6.716 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.409 1.290 -5.410 1.00 0.00 C ATOM 1422 C GLN A 95 -24.281 0.441 -4.833 1.00 0.00 C ATOM 1423 O GLN A 95 -23.759 0.734 -3.758 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.687 0.457 -5.517 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.868 1.225 -6.089 1.00 0.00 C ATOM 1426 CD GLN A 95 -28.195 2.471 -5.291 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.072 3.591 -5.788 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -28.615 2.283 -4.045 1.00 0.00 N ATOM 0 H GLN A 95 -25.732 1.660 -7.449 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.587 2.130 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.492 -0.413 -6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.952 0.084 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -27.650 1.505 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -28.742 0.574 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -28.702 1.337 -3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.850 3.085 -3.460 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.910 -0.612 -5.555 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.845 -1.504 -5.113 1.00 0.00 C ATOM 1439 C GLU A 96 -21.725 -1.568 -6.148 1.00 0.00 C ATOM 1440 O GLU A 96 -21.786 -2.321 -7.120 1.00 0.00 O ATOM 1441 CB GLU A 96 -23.398 -2.907 -4.856 1.00 0.00 C ATOM 1442 CG GLU A 96 -22.627 -3.681 -3.800 1.00 0.00 C ATOM 1443 CD GLU A 96 -23.013 -5.147 -3.754 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -23.005 -5.796 -4.821 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -23.323 -5.645 -2.651 1.00 0.00 O ATOM 0 H GLU A 96 -24.331 -0.868 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.436 -1.107 -4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -24.440 -2.827 -4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.385 -3.470 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.559 -3.596 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.805 -3.231 -2.823 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.677 -0.759 -5.936 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.523 -0.705 -6.838 1.00 0.00 C ATOM 1454 C PRO A 97 -18.680 -1.974 -6.778 1.00 0.00 C ATOM 1455 O PRO A 97 -18.866 -2.813 -5.896 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.723 0.493 -6.320 1.00 0.00 C ATOM 1457 CG PRO A 97 -19.103 0.610 -4.884 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.537 0.166 -4.798 1.00 0.00 C ATOM 0 HA PRO A 97 -19.826 -0.614 -7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.651 0.332 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.969 1.401 -6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.463 -0.013 -4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.990 1.636 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.748 -0.329 -3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.224 1.008 -4.878 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.754 -2.109 -7.721 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.881 -3.276 -7.774 1.00 0.00 C ATOM 1468 C ASP A 98 -15.741 -3.148 -6.768 1.00 0.00 C ATOM 1469 O ASP A 98 -15.088 -2.108 -6.682 1.00 0.00 O ATOM 1470 CB ASP A 98 -16.316 -3.453 -9.184 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.052 -2.128 -9.872 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -15.889 -1.113 -9.164 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -16.007 -2.107 -11.120 1.00 0.00 O ATOM 0 H ASP A 98 -17.589 -1.425 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.473 -4.154 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.388 -4.023 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -17.016 -4.037 -9.782 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.508 -4.212 -6.007 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.447 -4.220 -5.007 1.00 0.00 C ATOM 1480 C LYS A 99 -13.074 -4.207 -5.670 1.00 0.00 C ATOM 1481 O LYS A 99 -12.188 -3.449 -5.272 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.578 -5.450 -4.105 1.00 0.00 C ATOM 1483 CG LYS A 99 -14.310 -6.762 -4.823 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.568 -7.955 -3.919 1.00 0.00 C ATOM 1485 CE LYS A 99 -13.453 -8.134 -2.900 1.00 0.00 C ATOM 1486 NZ LYS A 99 -12.285 -8.857 -3.476 1.00 0.00 N ATOM 0 H LYS A 99 -16.040 -5.080 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.546 -3.320 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.884 -5.354 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -15.583 -5.475 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.944 -6.830 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.277 -6.784 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.518 -7.822 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.659 -8.858 -4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.133 -7.157 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.833 -8.685 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.547 -8.959 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.585 -9.799 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.906 -8.319 -4.281 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.903 -5.049 -6.684 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.637 -5.132 -7.404 1.00 0.00 C ATOM 1502 C LEU A 100 -11.172 -3.750 -7.850 1.00 0.00 C ATOM 1503 O LEU A 100 -10.116 -3.274 -7.431 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.778 -6.052 -8.618 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.467 -7.530 -8.380 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -10.015 -7.710 -7.967 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.399 -8.108 -7.326 1.00 0.00 C ATOM 0 H LEU A 100 -13.625 -5.683 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.889 -5.545 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.798 -5.972 -8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.119 -5.685 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.627 -8.070 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.812 -8.768 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.363 -7.334 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.827 -7.157 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.163 -9.161 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.271 -7.565 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.432 -8.014 -7.662 1.00 0.00 H new ATOM 1519 N SER A 101 -11.968 -3.109 -8.700 1.00 0.00 N ATOM 1520 CA SER A 101 -11.637 -1.781 -9.204 1.00 0.00 C ATOM 1521 C SER A 101 -11.301 -0.833 -8.057 1.00 0.00 C ATOM 1522 O SER A 101 -10.452 0.048 -8.194 1.00 0.00 O ATOM 1523 CB SER A 101 -12.800 -1.219 -10.022 1.00 0.00 C ATOM 1524 OG SER A 101 -12.537 0.111 -10.437 1.00 0.00 O ATOM 0 H SER A 101 -12.846 -3.488 -9.054 1.00 0.00 H new ATOM 0 HA SER A 101 -10.761 -1.871 -9.846 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.972 -1.848 -10.895 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.713 -1.244 -9.427 1.00 0.00 H new ATOM 0 HG SER A 101 -13.295 0.447 -10.959 1.00 0.00 H new ATOM 1530 N MET A 102 -11.975 -1.020 -6.927 1.00 0.00 N ATOM 1531 CA MET A 102 -11.748 -0.182 -5.755 1.00 0.00 C ATOM 1532 C MET A 102 -10.370 -0.447 -5.155 1.00 0.00 C ATOM 1533 O MET A 102 -9.603 0.481 -4.903 1.00 0.00 O ATOM 1534 CB MET A 102 -12.831 -0.433 -4.704 1.00 0.00 C ATOM 1535 CG MET A 102 -14.078 0.413 -4.904 1.00 0.00 C ATOM 1536 SD MET A 102 -13.992 1.992 -4.038 1.00 0.00 S ATOM 1537 CE MET A 102 -12.641 2.782 -4.909 1.00 0.00 C ATOM 0 H MET A 102 -12.682 -1.744 -6.798 1.00 0.00 H new ATOM 0 HA MET A 102 -11.793 0.860 -6.071 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.109 -1.487 -4.725 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.420 -0.232 -3.715 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.222 0.595 -5.969 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.949 -0.142 -4.554 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.613 3.841 -4.653 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.700 2.314 -4.621 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.787 2.672 -5.984 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.064 -1.721 -4.929 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.779 -2.108 -4.360 1.00 0.00 C ATOM 1549 C VAL A 103 -7.625 -1.644 -5.241 1.00 0.00 C ATOM 1550 O VAL A 103 -6.803 -0.828 -4.825 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.685 -3.634 -4.172 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.321 -4.022 -3.622 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.797 -4.128 -3.259 1.00 0.00 C ATOM 0 H VAL A 103 -10.688 -2.502 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.706 -1.624 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.806 -4.110 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.274 -5.104 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.544 -3.703 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.166 -3.537 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.715 -5.208 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.710 -3.646 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.764 -3.885 -3.699 1.00 0.00 H new ATOM 1563 N MET A 104 -7.570 -2.169 -6.461 1.00 0.00 N ATOM 1564 CA MET A 104 -6.517 -1.806 -7.402 1.00 0.00 C ATOM 1565 C MET A 104 -6.169 -0.326 -7.284 1.00 0.00 C ATOM 1566 O MET A 104 -5.003 0.057 -7.383 1.00 0.00 O ATOM 1567 CB MET A 104 -6.951 -2.127 -8.834 1.00 0.00 C ATOM 1568 CG MET A 104 -8.223 -1.413 -9.258 1.00 0.00 C ATOM 1569 SD MET A 104 -8.459 -1.417 -11.046 1.00 0.00 S ATOM 1570 CE MET A 104 -9.040 -3.092 -11.306 1.00 0.00 C ATOM 0 H MET A 104 -8.242 -2.847 -6.821 1.00 0.00 H new ATOM 0 HA MET A 104 -5.629 -2.390 -7.159 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.147 -1.856 -9.518 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.100 -3.203 -8.927 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.079 -1.890 -8.781 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.193 -0.383 -8.902 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.417 -3.581 -12.055 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.984 -3.646 -10.369 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.073 -3.069 -11.653 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.186 0.502 -7.072 1.00 0.00 N ATOM 1581 CA TYR A 105 -6.987 1.941 -6.944 1.00 0.00 C ATOM 1582 C TYR A 105 -6.428 2.292 -5.569 1.00 0.00 C ATOM 1583 O TYR A 105 -5.333 2.844 -5.453 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.305 2.682 -7.176 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.157 4.186 -7.203 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -7.571 4.827 -8.288 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.602 4.967 -6.143 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.433 6.201 -8.317 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.470 6.342 -6.164 1.00 0.00 C ATOM 1590 CZ TYR A 105 -7.884 6.954 -7.253 1.00 0.00 C ATOM 1591 OH TYR A 105 -7.749 8.323 -7.277 1.00 0.00 O ATOM 0 H TYR A 105 -8.157 0.201 -6.985 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.266 2.252 -7.700 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.737 2.351 -8.120 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.009 2.409 -6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.217 4.241 -9.123 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.059 4.491 -5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -6.975 6.683 -9.168 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.823 6.934 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.118 8.703 -6.452 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.188 1.969 -4.528 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.770 2.249 -3.159 1.00 0.00 C ATOM 1603 C LEU A 106 -5.276 1.997 -2.983 1.00 0.00 C ATOM 1604 O LEU A 106 -4.562 2.815 -2.404 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.563 1.387 -2.176 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.053 1.709 -2.052 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.802 0.540 -1.431 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.260 2.973 -1.232 1.00 0.00 C ATOM 0 H LEU A 106 -8.097 1.513 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.969 3.301 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.461 0.344 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.108 1.483 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.452 1.880 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.860 0.787 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.682 -0.343 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.401 0.337 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.326 3.186 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.845 2.831 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.757 3.809 -1.719 1.00 0.00 H new ATOM 1620 N SER A 107 -4.810 0.859 -3.489 1.00 0.00 N ATOM 1621 CA SER A 107 -3.401 0.498 -3.387 1.00 0.00 C ATOM 1622 C SER A 107 -2.508 1.697 -3.693 1.00 0.00 C ATOM 1623 O SER A 107 -1.556 1.979 -2.965 1.00 0.00 O ATOM 1624 CB SER A 107 -3.076 -0.651 -4.344 1.00 0.00 C ATOM 1625 OG SER A 107 -1.888 -1.318 -3.956 1.00 0.00 O ATOM 0 H SER A 107 -5.388 0.172 -3.973 1.00 0.00 H new ATOM 0 HA SER A 107 -3.208 0.175 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.905 -1.359 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.965 -0.264 -5.357 1.00 0.00 H new ATOM 0 HG SER A 107 -1.704 -2.049 -4.582 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.824 2.400 -4.775 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.054 3.570 -5.180 1.00 0.00 C ATOM 1633 C LYS A 108 -1.619 4.382 -3.964 1.00 0.00 C ATOM 1634 O LYS A 108 -0.444 4.720 -3.818 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.878 4.448 -6.124 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.318 3.733 -7.390 1.00 0.00 C ATOM 1637 CD LYS A 108 -2.169 3.584 -8.373 1.00 0.00 C ATOM 1638 CE LYS A 108 -1.978 4.844 -9.203 1.00 0.00 C ATOM 1639 NZ LYS A 108 -1.095 4.605 -10.378 1.00 0.00 N ATOM 0 H LYS A 108 -3.609 2.180 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.162 3.224 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.760 4.808 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.290 5.325 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.710 2.748 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.130 4.288 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.250 3.362 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.361 2.738 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.948 5.204 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.549 5.628 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.990 5.487 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.161 4.286 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.517 3.875 -10.987 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.573 4.691 -3.092 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.288 5.462 -1.888 1.00 0.00 C ATOM 1655 C PHE A 109 -1.620 4.591 -0.829 1.00 0.00 C ATOM 1656 O PHE A 109 -0.574 4.946 -0.285 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.577 6.068 -1.328 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.227 7.056 -2.255 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -5.146 6.635 -3.203 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -3.920 8.405 -2.178 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -5.744 7.541 -4.057 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -4.516 9.316 -3.029 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.430 8.884 -3.969 1.00 0.00 C ATOM 0 H PHE A 109 -3.550 4.419 -3.197 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.603 6.266 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.283 5.266 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.356 6.561 -0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -5.397 5.587 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -3.206 8.749 -1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -6.457 7.200 -4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -4.267 10.365 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 109 -5.899 9.594 -4.634 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.233 3.448 -0.540 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.701 2.526 0.457 1.00 0.00 C ATOM 1675 C TYR A 110 -0.182 2.428 0.352 1.00 0.00 C ATOM 1676 O TYR A 110 0.525 2.491 1.357 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.325 1.140 0.285 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.689 0.078 1.152 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.858 0.087 2.532 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.918 -0.934 0.593 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -1.278 -0.882 3.328 1.00 0.00 C ATOM 1682 CE2 TYR A 110 -0.336 -1.907 1.382 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.518 -1.876 2.749 1.00 0.00 C ATOM 1684 OH TYR A 110 0.061 -2.843 3.538 1.00 0.00 O ATOM 0 H TYR A 110 -3.098 3.138 -0.982 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.955 2.912 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.388 1.198 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.243 0.841 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.452 0.864 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.771 -0.960 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.419 -0.861 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.258 -2.688 0.931 1.00 0.00 H new ATOM 0 HH TYR A 110 0.562 -3.469 2.974 1.00 0.00 H new ATOM 1694 N GLU A 111 0.312 2.275 -0.873 1.00 0.00 N ATOM 1695 CA GLU A 111 1.747 2.169 -1.109 1.00 0.00 C ATOM 1696 C GLU A 111 2.429 3.523 -0.936 1.00 0.00 C ATOM 1697 O GLU A 111 3.486 3.623 -0.312 1.00 0.00 O ATOM 1698 CB GLU A 111 2.016 1.626 -2.515 1.00 0.00 C ATOM 1699 CG GLU A 111 1.859 0.119 -2.625 1.00 0.00 C ATOM 1700 CD GLU A 111 2.646 -0.466 -3.782 1.00 0.00 C ATOM 1701 OE1 GLU A 111 3.832 -0.107 -3.935 1.00 0.00 O ATOM 1702 OE2 GLU A 111 2.075 -1.284 -4.534 1.00 0.00 O ATOM 0 H GLU A 111 -0.260 2.222 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 111 2.160 1.478 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.335 2.106 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.028 1.900 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.187 -0.346 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.804 -0.125 -2.748 1.00 0.00 H new ATOM 1709 N LEU A 112 1.817 4.562 -1.494 1.00 0.00 N ATOM 1710 CA LEU A 112 2.364 5.911 -1.402 1.00 0.00 C ATOM 1711 C LEU A 112 2.723 6.257 0.039 1.00 0.00 C ATOM 1712 O LEU A 112 3.869 6.588 0.343 1.00 0.00 O ATOM 1713 CB LEU A 112 1.361 6.928 -1.948 1.00 0.00 C ATOM 1714 CG LEU A 112 1.688 8.399 -1.692 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.858 8.844 -2.555 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.468 9.271 -1.952 1.00 0.00 C ATOM 0 H LEU A 112 0.942 4.496 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 112 3.273 5.949 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.272 6.779 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.384 6.713 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 112 1.972 8.511 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.076 9.894 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.735 8.241 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.603 8.717 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.720 10.315 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.152 9.155 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.343 8.969 -1.289 1.00 0.00 H new ATOM 1728 N PHE A 113 1.735 6.176 0.925 1.00 0.00 N ATOM 1729 CA PHE A 113 1.946 6.479 2.336 1.00 0.00 C ATOM 1730 C PHE A 113 2.833 5.425 2.992 1.00 0.00 C ATOM 1731 O PHE A 113 3.784 5.753 3.701 1.00 0.00 O ATOM 1732 CB PHE A 113 0.605 6.560 3.068 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.221 7.752 2.675 1.00 0.00 C ATOM 1734 CD1 PHE A 113 0.186 9.034 3.011 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.403 7.592 1.971 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.572 10.132 2.652 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.165 8.686 1.608 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.748 9.958 1.949 1.00 0.00 C ATOM 0 H PHE A 113 0.781 5.903 0.691 1.00 0.00 H new ATOM 0 HA PHE A 113 2.448 7.444 2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.036 5.652 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.788 6.593 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.106 9.176 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.733 6.599 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.245 11.126 2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.085 8.547 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.341 10.815 1.666 1.00 0.00 H new ATOM 1748 N ARG A 114 2.514 4.157 2.749 1.00 0.00 N ATOM 1749 CA ARG A 114 3.280 3.055 3.318 1.00 0.00 C ATOM 1750 C ARG A 114 4.735 3.113 2.863 1.00 0.00 C ATOM 1751 O ARG A 114 5.060 2.736 1.738 1.00 0.00 O ATOM 1752 CB ARG A 114 2.661 1.715 2.914 1.00 0.00 C ATOM 1753 CG ARG A 114 3.284 0.520 3.617 1.00 0.00 C ATOM 1754 CD ARG A 114 2.488 -0.751 3.366 1.00 0.00 C ATOM 1755 NE ARG A 114 2.647 -1.236 1.998 1.00 0.00 N ATOM 1756 CZ ARG A 114 3.656 -2.005 1.603 1.00 0.00 C ATOM 1757 NH1 ARG A 114 4.589 -2.376 2.469 1.00 0.00 N ATOM 1758 NH2 ARG A 114 3.731 -2.406 0.341 1.00 0.00 N ATOM 0 H ARG A 114 1.731 3.868 2.162 1.00 0.00 H new ATOM 0 HA ARG A 114 3.253 3.148 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.593 1.737 3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.765 1.587 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.308 0.384 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.335 0.713 4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.810 -1.524 4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.433 -0.563 3.563 1.00 0.00 H new ATOM 0 HE ARG A 114 1.945 -0.970 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.533 -2.071 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.363 -2.966 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.014 -2.124 -0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.506 -2.996 0.039 1.00 0.00 H new