USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 769 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 91 ASN : amide:sc= -0.273 K(o=-1.1,f=-3.2!) USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= -0.845 USER MOD Single : A 12 ASN : amide:sc= -0.672! C(o=-0.67!,f=-1.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -113:sc= -0.332 (180deg=-2.29) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= -4.45! (180deg=-5.2!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=-0.33) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -51:sc= 0.00204 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= -3.49! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.1 USER MOD Single : A 42 TYR OH : rot 65:sc= 0.0543 USER MOD Single : A 45 LYS NZ :NH3+ 147:sc= 0 (180deg=-1.11) USER MOD Single : A 47 HIS : no HD1:sc= -0.0571 X(o=-0.057,f=-0.056) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -25:sc= 0.0713 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.042) USER MOD Single : A 67 HIS : no HD1:sc= -3.45 K(o=-3.4,f=-4) USER MOD Single : A 72 CYS SG : rot -49:sc= -2.1 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.714 F(o=-1.6,f=-0.71) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.425 X(o=-0.43,f=-0.023) USER MOD Single : A 83 LYS NZ :NH3+ 136:sc= 0.123 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 95 TYR OH : rot 106:sc= 0.0875 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc=-0.00458 K(o=-0.0046,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 6.488 -10.451 -7.728 1.00 0.00 N ATOM 138 CA ASN A 12 6.223 -9.150 -8.332 1.00 0.00 C ATOM 139 C ASN A 12 7.312 -8.147 -7.965 1.00 0.00 C ATOM 140 O ASN A 12 7.742 -7.349 -8.796 1.00 0.00 O ATOM 141 CB ASN A 12 4.858 -8.625 -7.884 1.00 0.00 C ATOM 142 CG ASN A 12 4.434 -7.387 -8.651 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.322 -7.410 -9.877 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.196 -6.297 -7.930 1.00 0.00 N ATOM 0 HA ASN A 12 6.219 -9.274 -9.415 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.110 -9.406 -8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.892 -8.395 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.908 -5.434 -8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.301 -6.323 -6.916 1.00 0.00 H new ATOM 151 N GLY A 13 7.756 -8.196 -6.712 1.00 0.00 N ATOM 152 CA GLY A 13 8.791 -7.288 -6.256 1.00 0.00 C ATOM 153 C GLY A 13 8.613 -6.887 -4.805 1.00 0.00 C ATOM 154 O GLY A 13 9.501 -6.277 -4.208 1.00 0.00 O ATOM 0 H GLY A 13 7.417 -8.849 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.765 -7.760 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.786 -6.394 -6.880 1.00 0.00 H new ATOM 158 N PHE A 14 7.462 -7.229 -4.235 1.00 0.00 N ATOM 159 CA PHE A 14 7.170 -6.899 -2.845 1.00 0.00 C ATOM 160 C PHE A 14 8.060 -7.697 -1.897 1.00 0.00 C ATOM 161 O PHE A 14 8.656 -8.702 -2.285 1.00 0.00 O ATOM 162 CB PHE A 14 5.697 -7.174 -2.533 1.00 0.00 C ATOM 163 CG PHE A 14 4.760 -6.154 -3.114 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.462 -4.993 -2.419 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.179 -6.355 -4.355 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.600 -4.053 -2.951 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.316 -5.419 -4.893 1.00 0.00 C ATOM 168 CZ PHE A 14 3.027 -4.265 -4.190 1.00 0.00 C ATOM 0 H PHE A 14 6.717 -7.734 -4.714 1.00 0.00 H new ATOM 0 HA PHE A 14 7.374 -5.838 -2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.431 -8.159 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.563 -7.205 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.908 -4.821 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.403 -7.254 -4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.374 -3.153 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.868 -5.589 -5.861 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.355 -3.530 -4.608 1.00 0.00 H new ATOM 178 N LYS A 15 8.145 -7.243 -0.652 1.00 0.00 N ATOM 179 CA LYS A 15 8.961 -7.913 0.354 1.00 0.00 C ATOM 180 C LYS A 15 8.287 -7.866 1.721 1.00 0.00 C ATOM 181 O LYS A 15 7.386 -7.059 1.953 1.00 0.00 O ATOM 182 CB LYS A 15 10.344 -7.263 0.433 1.00 0.00 C ATOM 183 CG LYS A 15 11.079 -7.231 -0.896 1.00 0.00 C ATOM 184 CD LYS A 15 11.598 -8.606 -1.279 1.00 0.00 C ATOM 185 CE LYS A 15 11.871 -8.703 -2.772 1.00 0.00 C ATOM 186 NZ LYS A 15 12.027 -10.115 -3.217 1.00 0.00 N ATOM 0 H LYS A 15 7.658 -6.413 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 15 9.072 -8.957 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.236 -6.244 0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.949 -7.804 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.410 -6.864 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.912 -6.531 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.513 -8.817 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.870 -9.364 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.053 -8.237 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.775 -8.144 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.212 -10.138 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.824 -10.552 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.155 -10.642 -3.011 1.00 0.00 H new ATOM 200 N VAL A 16 8.729 -8.735 2.624 1.00 0.00 N ATOM 201 CA VAL A 16 8.170 -8.791 3.970 1.00 0.00 C ATOM 202 C VAL A 16 8.809 -7.743 4.874 1.00 0.00 C ATOM 203 O VAL A 16 9.995 -7.820 5.189 1.00 0.00 O ATOM 204 CB VAL A 16 8.362 -10.183 4.600 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.046 -10.144 6.087 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.496 -11.213 3.889 1.00 0.00 C ATOM 0 H VAL A 16 9.473 -9.410 2.448 1.00 0.00 H new ATOM 0 HA VAL A 16 7.103 -8.586 3.879 1.00 0.00 H new ATOM 0 HB VAL A 16 9.405 -10.476 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.187 -11.136 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.712 -9.437 6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.012 -9.830 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.644 -12.191 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.447 -10.928 3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.776 -11.259 2.836 1.00 0.00 H new ATOM 216 N GLY A 17 8.012 -6.763 5.290 1.00 0.00 N ATOM 217 CA GLY A 17 8.517 -5.713 6.156 1.00 0.00 C ATOM 218 C GLY A 17 8.063 -4.334 5.720 1.00 0.00 C ATOM 219 O GLY A 17 7.952 -3.423 6.539 1.00 0.00 O ATOM 0 H GLY A 17 7.026 -6.678 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.183 -5.896 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.606 -5.747 6.166 1.00 0.00 H new ATOM 223 N MET A 18 7.802 -4.180 4.426 1.00 0.00 N ATOM 224 CA MET A 18 7.358 -2.902 3.883 1.00 0.00 C ATOM 225 C MET A 18 5.872 -2.685 4.148 1.00 0.00 C ATOM 226 O MET A 18 5.069 -3.611 4.033 1.00 0.00 O ATOM 227 CB MET A 18 7.635 -2.838 2.380 1.00 0.00 C ATOM 228 CG MET A 18 6.893 -3.896 1.580 1.00 0.00 C ATOM 229 SD MET A 18 7.036 -3.649 -0.201 1.00 0.00 S ATOM 230 CE MET A 18 8.775 -4.000 -0.452 1.00 0.00 C ATOM 0 H MET A 18 7.890 -4.924 3.734 1.00 0.00 H new ATOM 0 HA MET A 18 7.917 -2.110 4.382 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.356 -1.852 2.009 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.706 -2.951 2.211 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.282 -4.881 1.839 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.840 -3.886 1.861 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.291 -3.088 -0.753 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.209 -4.373 0.476 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.885 -4.753 -1.232 1.00 0.00 H new ATOM 240 N LYS A 19 5.512 -1.457 4.503 1.00 0.00 N ATOM 241 CA LYS A 19 4.122 -1.117 4.783 1.00 0.00 C ATOM 242 C LYS A 19 3.473 -0.442 3.579 1.00 0.00 C ATOM 243 O LYS A 19 4.069 0.431 2.948 1.00 0.00 O ATOM 244 CB LYS A 19 4.036 -0.198 6.004 1.00 0.00 C ATOM 245 CG LYS A 19 4.446 -0.872 7.302 1.00 0.00 C ATOM 246 CD LYS A 19 4.782 0.148 8.377 1.00 0.00 C ATOM 247 CE LYS A 19 6.256 0.524 8.347 1.00 0.00 C ATOM 248 NZ LYS A 19 6.704 0.902 6.979 1.00 0.00 N ATOM 0 H LYS A 19 6.164 -0.679 4.604 1.00 0.00 H new ATOM 0 HA LYS A 19 3.584 -2.041 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.672 0.672 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.014 0.168 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.638 -1.516 7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.310 -1.512 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.174 1.042 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.529 -0.257 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.433 1.355 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.852 -0.315 8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.666 1.295 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.703 0.060 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.057 1.615 6.586 1.00 0.00 H new ATOM 262 N LEU A 20 2.248 -0.851 3.267 1.00 0.00 N ATOM 263 CA LEU A 20 1.516 -0.284 2.139 1.00 0.00 C ATOM 264 C LEU A 20 0.025 -0.195 2.446 1.00 0.00 C ATOM 265 O LEU A 20 -0.480 -0.895 3.323 1.00 0.00 O ATOM 266 CB LEU A 20 1.741 -1.129 0.884 1.00 0.00 C ATOM 267 CG LEU A 20 0.979 -2.453 0.821 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.689 -2.835 -0.622 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.764 -3.554 1.519 1.00 0.00 C ATOM 0 H LEU A 20 1.741 -1.573 3.779 1.00 0.00 H new ATOM 0 HA LEU A 20 1.892 0.724 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.465 -0.532 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.807 -1.342 0.800 1.00 0.00 H new ATOM 0 HG LEU A 20 0.028 -2.327 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.146 -3.780 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.085 -2.058 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.628 -2.942 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.207 -4.489 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.730 -3.678 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.919 -3.284 2.564 1.00 0.00 H new ATOM 281 N GLU A 21 -0.674 0.668 1.715 1.00 0.00 N ATOM 282 CA GLU A 21 -2.108 0.846 1.910 1.00 0.00 C ATOM 283 C GLU A 21 -2.899 0.098 0.841 1.00 0.00 C ATOM 284 O GLU A 21 -2.358 -0.278 -0.198 1.00 0.00 O ATOM 285 CB GLU A 21 -2.468 2.333 1.879 1.00 0.00 C ATOM 286 CG GLU A 21 -1.608 3.187 2.795 1.00 0.00 C ATOM 287 CD GLU A 21 -0.287 3.575 2.161 1.00 0.00 C ATOM 288 OE1 GLU A 21 0.673 2.783 2.256 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.214 4.673 1.568 1.00 0.00 O ATOM 0 H GLU A 21 -0.271 1.254 0.984 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.370 0.436 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.371 2.700 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.514 2.451 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.156 4.090 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.417 2.642 3.720 1.00 0.00 H new ATOM 296 N GLY A 22 -4.185 -0.115 1.105 1.00 0.00 N ATOM 297 CA GLY A 22 -5.030 -0.818 0.158 1.00 0.00 C ATOM 298 C GLY A 22 -6.469 -0.916 0.625 1.00 0.00 C ATOM 299 O GLY A 22 -6.792 -0.528 1.748 1.00 0.00 O ATOM 0 H GLY A 22 -4.656 0.187 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.998 -0.305 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.634 -1.821 -0.002 1.00 0.00 H new ATOM 303 N VAL A 23 -7.336 -1.434 -0.238 1.00 0.00 N ATOM 304 CA VAL A 23 -8.749 -1.581 0.092 1.00 0.00 C ATOM 305 C VAL A 23 -9.014 -2.907 0.794 1.00 0.00 C ATOM 306 O VAL A 23 -8.306 -3.890 0.574 1.00 0.00 O ATOM 307 CB VAL A 23 -9.632 -1.493 -1.167 1.00 0.00 C ATOM 308 CG1 VAL A 23 -11.026 -2.029 -0.880 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.696 -0.060 -1.674 1.00 0.00 C ATOM 0 H VAL A 23 -7.085 -1.759 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.004 -0.761 0.763 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.185 -2.110 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.635 -1.959 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.958 -3.071 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.485 -1.442 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.324 -0.017 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.118 0.581 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.692 0.284 -1.922 1.00 0.00 H new ATOM 319 N ASP A 24 -10.038 -2.928 1.640 1.00 0.00 N ATOM 320 CA ASP A 24 -10.399 -4.135 2.374 1.00 0.00 C ATOM 321 C ASP A 24 -11.456 -4.935 1.620 1.00 0.00 C ATOM 322 O ASP A 24 -12.391 -4.382 1.039 1.00 0.00 O ATOM 323 CB ASP A 24 -10.913 -3.775 3.769 1.00 0.00 C ATOM 324 CG ASP A 24 -11.012 -4.983 4.680 1.00 0.00 C ATOM 325 OD1 ASP A 24 -11.976 -5.762 4.529 1.00 0.00 O ATOM 326 OD2 ASP A 24 -10.125 -5.149 5.544 1.00 0.00 O ATOM 0 H ASP A 24 -10.633 -2.123 1.834 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.505 -4.751 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.248 -3.038 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.894 -3.308 3.682 1.00 0.00 H new ATOM 331 N PRO A 25 -11.308 -6.268 1.627 1.00 0.00 N ATOM 332 CA PRO A 25 -12.240 -7.172 0.947 1.00 0.00 C ATOM 333 C PRO A 25 -13.602 -7.222 1.632 1.00 0.00 C ATOM 334 O PRO A 25 -14.510 -7.915 1.175 1.00 0.00 O ATOM 335 CB PRO A 25 -11.545 -8.533 1.039 1.00 0.00 C ATOM 336 CG PRO A 25 -10.666 -8.429 2.237 1.00 0.00 C ATOM 337 CD PRO A 25 -10.218 -6.995 2.299 1.00 0.00 C ATOM 0 HA PRO A 25 -12.447 -6.852 -0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.269 -9.341 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.966 -8.743 0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.205 -8.709 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.812 -9.101 2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.085 -6.659 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.265 -6.849 1.791 1.00 0.00 H new ATOM 345 N GLU A 26 -13.735 -6.484 2.729 1.00 0.00 N ATOM 346 CA GLU A 26 -14.987 -6.445 3.476 1.00 0.00 C ATOM 347 C GLU A 26 -15.825 -5.236 3.071 1.00 0.00 C ATOM 348 O GLU A 26 -17.056 -5.287 3.086 1.00 0.00 O ATOM 349 CB GLU A 26 -14.708 -6.406 4.980 1.00 0.00 C ATOM 350 CG GLU A 26 -13.889 -7.585 5.478 1.00 0.00 C ATOM 351 CD GLU A 26 -14.746 -8.789 5.818 1.00 0.00 C ATOM 352 OE1 GLU A 26 -15.594 -9.168 4.982 1.00 0.00 O ATOM 353 OE2 GLU A 26 -14.569 -9.352 6.918 1.00 0.00 O ATOM 0 H GLU A 26 -12.992 -5.905 3.120 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.549 -7.349 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.182 -5.482 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.657 -6.381 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.162 -7.865 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.325 -7.284 6.361 1.00 0.00 H new ATOM 360 N HIS A 27 -15.150 -4.149 2.711 1.00 0.00 N ATOM 361 CA HIS A 27 -15.832 -2.927 2.302 1.00 0.00 C ATOM 362 C HIS A 27 -14.998 -2.154 1.284 1.00 0.00 C ATOM 363 O HIS A 27 -13.860 -1.776 1.561 1.00 0.00 O ATOM 364 CB HIS A 27 -16.118 -2.046 3.518 1.00 0.00 C ATOM 365 CG HIS A 27 -17.279 -2.518 4.339 1.00 0.00 C ATOM 366 ND1 HIS A 27 -17.142 -3.365 5.419 1.00 0.00 N ATOM 367 CD2 HIS A 27 -18.602 -2.255 4.234 1.00 0.00 C ATOM 368 CE1 HIS A 27 -18.332 -3.604 5.941 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.235 -2.941 5.241 1.00 0.00 N ATOM 0 H HIS A 27 -14.132 -4.090 2.694 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.776 -3.206 1.835 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.229 -2.010 4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.312 -1.028 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -19.073 -1.623 3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -18.532 -4.234 6.795 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.239 -2.939 5.420 1.00 0.00 H new ATOM 378 N GLN A 28 -15.572 -1.923 0.108 1.00 0.00 N ATOM 379 CA GLN A 28 -14.881 -1.196 -0.950 1.00 0.00 C ATOM 380 C GLN A 28 -14.819 0.295 -0.636 1.00 0.00 C ATOM 381 O GLN A 28 -15.642 0.815 0.117 1.00 0.00 O ATOM 382 CB GLN A 28 -15.581 -1.418 -2.292 1.00 0.00 C ATOM 383 CG GLN A 28 -15.782 -2.885 -2.638 1.00 0.00 C ATOM 384 CD GLN A 28 -16.502 -3.079 -3.958 1.00 0.00 C ATOM 385 OE1 GLN A 28 -17.651 -3.521 -3.992 1.00 0.00 O ATOM 386 NE2 GLN A 28 -15.828 -2.750 -5.054 1.00 0.00 N ATOM 0 H GLN A 28 -16.514 -2.229 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.862 -1.578 -1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.551 -0.922 -2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.996 -0.944 -3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.812 -3.381 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.351 -3.367 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.878 -2.387 -4.979 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.261 -2.860 -5.971 1.00 0.00 H new ATOM 395 N SER A 29 -13.837 0.977 -1.217 1.00 0.00 N ATOM 396 CA SER A 29 -13.665 2.408 -0.995 1.00 0.00 C ATOM 397 C SER A 29 -13.145 2.681 0.413 1.00 0.00 C ATOM 398 O SER A 29 -13.369 3.754 0.973 1.00 0.00 O ATOM 399 CB SER A 29 -14.989 3.142 -1.213 1.00 0.00 C ATOM 400 OG SER A 29 -14.769 4.491 -1.587 1.00 0.00 O ATOM 0 H SER A 29 -13.149 0.562 -1.845 1.00 0.00 H new ATOM 0 HA SER A 29 -12.931 2.776 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.566 2.636 -1.987 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.583 3.107 -0.299 1.00 0.00 H new ATOM 0 HG SER A 29 -14.155 4.911 -0.949 1.00 0.00 H new ATOM 406 N VAL A 30 -12.448 1.701 0.980 1.00 0.00 N ATOM 407 CA VAL A 30 -11.894 1.835 2.322 1.00 0.00 C ATOM 408 C VAL A 30 -10.395 1.559 2.328 1.00 0.00 C ATOM 409 O VAL A 30 -9.964 0.413 2.459 1.00 0.00 O ATOM 410 CB VAL A 30 -12.584 0.878 3.312 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.832 0.842 4.633 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.034 1.287 3.525 1.00 0.00 C ATOM 0 H VAL A 30 -12.254 0.806 0.531 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.073 2.863 2.637 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.572 -0.126 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.335 0.161 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.812 0.498 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.809 1.842 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.506 0.600 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.071 2.299 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.565 1.255 2.573 1.00 0.00 H new ATOM 422 N TYR A 31 -9.604 2.617 2.185 1.00 0.00 N ATOM 423 CA TYR A 31 -8.152 2.489 2.172 1.00 0.00 C ATOM 424 C TYR A 31 -7.601 2.382 3.591 1.00 0.00 C ATOM 425 O TYR A 31 -7.724 3.313 4.388 1.00 0.00 O ATOM 426 CB TYR A 31 -7.520 3.685 1.457 1.00 0.00 C ATOM 427 CG TYR A 31 -8.023 3.881 0.045 1.00 0.00 C ATOM 428 CD1 TYR A 31 -8.052 2.824 -0.856 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.471 5.123 -0.388 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.510 2.999 -2.148 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.932 5.307 -1.677 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.949 4.242 -2.553 1.00 0.00 C ATOM 433 OH TYR A 31 -9.407 4.420 -3.839 1.00 0.00 O ATOM 0 H TYR A 31 -9.944 3.572 2.077 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.898 1.576 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.719 4.589 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.438 3.553 1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.711 1.849 -0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.459 5.959 0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.524 2.167 -2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.277 6.279 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.680 5.353 -3.963 1.00 0.00 H new ATOM 443 N CYS A 32 -6.994 1.241 3.898 1.00 0.00 N ATOM 444 CA CYS A 32 -6.424 1.010 5.221 1.00 0.00 C ATOM 445 C CYS A 32 -4.949 0.635 5.119 1.00 0.00 C ATOM 446 O CYS A 32 -4.488 0.164 4.079 1.00 0.00 O ATOM 447 CB CYS A 32 -7.195 -0.094 5.945 1.00 0.00 C ATOM 448 SG CYS A 32 -8.961 0.243 6.137 1.00 0.00 S ATOM 0 H CYS A 32 -6.884 0.462 3.249 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.506 1.935 5.792 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.072 -1.028 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.755 -0.243 6.931 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.527 -0.749 6.759 1.00 0.00 H new ATOM 454 N VAL A 33 -4.213 0.849 6.205 1.00 0.00 N ATOM 455 CA VAL A 33 -2.790 0.534 6.239 1.00 0.00 C ATOM 456 C VAL A 33 -2.563 -0.965 6.396 1.00 0.00 C ATOM 457 O VAL A 33 -3.223 -1.624 7.201 1.00 0.00 O ATOM 458 CB VAL A 33 -2.079 1.273 7.387 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.860 1.123 8.684 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.656 0.760 7.550 1.00 0.00 C ATOM 0 H VAL A 33 -4.579 1.239 7.073 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.370 0.865 5.289 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.033 2.333 7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.342 1.652 9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.858 1.543 8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.940 0.067 8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.168 1.293 8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.677 -0.306 7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.102 0.925 6.626 1.00 0.00 H new ATOM 470 N LEU A 34 -1.624 -1.500 5.622 1.00 0.00 N ATOM 471 CA LEU A 34 -1.308 -2.923 5.675 1.00 0.00 C ATOM 472 C LEU A 34 0.200 -3.148 5.627 1.00 0.00 C ATOM 473 O LEU A 34 0.963 -2.246 5.278 1.00 0.00 O ATOM 474 CB LEU A 34 -1.982 -3.659 4.516 1.00 0.00 C ATOM 475 CG LEU A 34 -3.459 -3.338 4.286 1.00 0.00 C ATOM 476 CD1 LEU A 34 -3.815 -3.485 2.815 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.340 -4.238 5.141 1.00 0.00 C ATOM 0 H LEU A 34 -1.069 -0.970 4.951 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.686 -3.319 6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.435 -3.433 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.886 -4.731 4.688 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.636 -2.303 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.870 -3.252 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.208 -2.799 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.622 -4.509 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.388 -3.995 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.159 -5.280 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.104 -4.084 6.194 1.00 0.00 H new ATOM 489 N THR A 35 0.624 -4.358 5.978 1.00 0.00 N ATOM 490 CA THR A 35 2.040 -4.702 5.974 1.00 0.00 C ATOM 491 C THR A 35 2.277 -6.050 5.301 1.00 0.00 C ATOM 492 O THR A 35 1.542 -7.009 5.536 1.00 0.00 O ATOM 493 CB THR A 35 2.612 -4.748 7.404 1.00 0.00 C ATOM 494 OG1 THR A 35 2.257 -3.555 8.112 1.00 0.00 O ATOM 495 CG2 THR A 35 4.125 -4.897 7.378 1.00 0.00 C ATOM 0 H THR A 35 0.007 -5.116 6.269 1.00 0.00 H new ATOM 0 HA THR A 35 2.552 -3.922 5.411 1.00 0.00 H new ATOM 0 HB THR A 35 2.187 -5.613 7.914 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.623 -3.593 9.020 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.505 -4.927 8.399 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.391 -5.821 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.565 -4.050 6.852 1.00 0.00 H new ATOM 503 N VAL A 36 3.307 -6.115 4.464 1.00 0.00 N ATOM 504 CA VAL A 36 3.642 -7.347 3.759 1.00 0.00 C ATOM 505 C VAL A 36 3.993 -8.462 4.736 1.00 0.00 C ATOM 506 O VAL A 36 5.036 -8.424 5.388 1.00 0.00 O ATOM 507 CB VAL A 36 4.821 -7.136 2.791 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.053 -8.384 1.952 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.572 -5.926 1.903 1.00 0.00 C ATOM 0 H VAL A 36 3.924 -5.329 4.257 1.00 0.00 H new ATOM 0 HA VAL A 36 2.759 -7.635 3.188 1.00 0.00 H new ATOM 0 HB VAL A 36 5.720 -6.949 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.890 -8.216 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.279 -9.226 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.156 -8.605 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.415 -5.792 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.662 -6.081 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.460 -5.037 2.523 1.00 0.00 H new ATOM 519 N ALA A 37 3.116 -9.456 4.832 1.00 0.00 N ATOM 520 CA ALA A 37 3.335 -10.584 5.729 1.00 0.00 C ATOM 521 C ALA A 37 4.040 -11.728 5.009 1.00 0.00 C ATOM 522 O ALA A 37 4.832 -12.455 5.607 1.00 0.00 O ATOM 523 CB ALA A 37 2.012 -11.060 6.311 1.00 0.00 C ATOM 0 H ALA A 37 2.247 -9.503 4.300 1.00 0.00 H new ATOM 0 HA ALA A 37 3.978 -10.250 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.191 -11.903 6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.546 -10.247 6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.350 -11.371 5.503 1.00 0.00 H new ATOM 529 N GLU A 38 3.747 -11.882 3.721 1.00 0.00 N ATOM 530 CA GLU A 38 4.353 -12.939 2.921 1.00 0.00 C ATOM 531 C GLU A 38 4.184 -12.659 1.430 1.00 0.00 C ATOM 532 O GLU A 38 3.204 -12.043 1.010 1.00 0.00 O ATOM 533 CB GLU A 38 3.731 -14.293 3.270 1.00 0.00 C ATOM 534 CG GLU A 38 4.624 -15.477 2.937 1.00 0.00 C ATOM 535 CD GLU A 38 3.853 -16.779 2.840 1.00 0.00 C ATOM 536 OE1 GLU A 38 3.171 -17.139 3.822 1.00 0.00 O ATOM 537 OE2 GLU A 38 3.933 -17.439 1.783 1.00 0.00 O ATOM 0 H GLU A 38 3.094 -11.288 3.210 1.00 0.00 H new ATOM 0 HA GLU A 38 5.418 -12.966 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.498 -14.313 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.787 -14.399 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.133 -15.289 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.396 -15.572 3.701 1.00 0.00 H new ATOM 544 N VAL A 39 5.147 -13.114 0.636 1.00 0.00 N ATOM 545 CA VAL A 39 5.106 -12.913 -0.808 1.00 0.00 C ATOM 546 C VAL A 39 5.311 -14.228 -1.552 1.00 0.00 C ATOM 547 O VAL A 39 6.217 -14.999 -1.234 1.00 0.00 O ATOM 548 CB VAL A 39 6.177 -11.905 -1.265 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.140 -11.736 -2.776 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.983 -10.568 -0.565 1.00 0.00 C ATOM 0 H VAL A 39 5.965 -13.624 0.968 1.00 0.00 H new ATOM 0 HA VAL A 39 4.119 -12.515 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 39 7.158 -12.293 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.903 -11.020 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.331 -12.697 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.159 -11.370 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.748 -9.868 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.997 -10.171 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.064 -10.707 0.513 1.00 0.00 H new ATOM 560 N CYS A 40 4.463 -14.478 -2.544 1.00 0.00 N ATOM 561 CA CYS A 40 4.551 -15.701 -3.334 1.00 0.00 C ATOM 562 C CYS A 40 3.658 -15.616 -4.568 1.00 0.00 C ATOM 563 O CYS A 40 2.755 -14.784 -4.637 1.00 0.00 O ATOM 564 CB CYS A 40 4.155 -16.911 -2.486 1.00 0.00 C ATOM 565 SG CYS A 40 4.762 -18.490 -3.124 1.00 0.00 S ATOM 0 H CYS A 40 3.708 -13.851 -2.820 1.00 0.00 H new ATOM 0 HA CYS A 40 5.584 -15.819 -3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.533 -16.771 -1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.068 -16.953 -2.417 1.00 0.00 H new ATOM 0 HG CYS A 40 4.378 -19.452 -2.338 1.00 0.00 H new ATOM 571 N GLY A 41 3.919 -16.483 -5.542 1.00 0.00 N ATOM 572 CA GLY A 41 3.132 -16.489 -6.761 1.00 0.00 C ATOM 573 C GLY A 41 2.782 -15.091 -7.231 1.00 0.00 C ATOM 574 O GLY A 41 3.477 -14.127 -6.908 1.00 0.00 O ATOM 0 H GLY A 41 4.662 -17.181 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.686 -17.005 -7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.215 -17.054 -6.595 1.00 0.00 H new ATOM 578 N TYR A 42 1.702 -14.979 -7.997 1.00 0.00 N ATOM 579 CA TYR A 42 1.264 -13.689 -8.516 1.00 0.00 C ATOM 580 C TYR A 42 0.349 -12.983 -7.520 1.00 0.00 C ATOM 581 O TYR A 42 -0.611 -12.316 -7.906 1.00 0.00 O ATOM 582 CB TYR A 42 0.539 -13.872 -9.850 1.00 0.00 C ATOM 583 CG TYR A 42 0.691 -12.696 -10.789 1.00 0.00 C ATOM 584 CD1 TYR A 42 -0.159 -11.601 -10.706 1.00 0.00 C ATOM 585 CD2 TYR A 42 1.687 -12.681 -11.758 1.00 0.00 C ATOM 586 CE1 TYR A 42 -0.024 -10.525 -11.562 1.00 0.00 C ATOM 587 CE2 TYR A 42 1.830 -11.609 -12.617 1.00 0.00 C ATOM 588 CZ TYR A 42 0.972 -10.533 -12.516 1.00 0.00 C ATOM 589 OH TYR A 42 1.111 -9.463 -13.369 1.00 0.00 O ATOM 0 H TYR A 42 1.114 -15.766 -8.272 1.00 0.00 H new ATOM 0 HA TYR A 42 2.148 -13.070 -8.672 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.918 -14.769 -10.340 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.521 -14.038 -9.658 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.939 -11.590 -9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.360 -13.521 -11.841 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.695 -9.682 -11.485 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.610 -11.613 -13.364 1.00 0.00 H new ATOM 0 HH TYR A 42 1.367 -8.668 -12.857 1.00 0.00 H new ATOM 599 N ARG A 43 0.655 -13.135 -6.235 1.00 0.00 N ATOM 600 CA ARG A 43 -0.139 -12.513 -5.182 1.00 0.00 C ATOM 601 C ARG A 43 0.730 -12.172 -3.975 1.00 0.00 C ATOM 602 O ARG A 43 1.835 -12.695 -3.826 1.00 0.00 O ATOM 603 CB ARG A 43 -1.279 -13.442 -4.758 1.00 0.00 C ATOM 604 CG ARG A 43 -2.498 -13.363 -5.662 1.00 0.00 C ATOM 605 CD ARG A 43 -3.566 -14.362 -5.245 1.00 0.00 C ATOM 606 NE ARG A 43 -3.389 -15.656 -5.898 1.00 0.00 N ATOM 607 CZ ARG A 43 -3.665 -15.878 -7.178 1.00 0.00 C ATOM 608 NH1 ARG A 43 -4.129 -14.896 -7.939 1.00 0.00 N ATOM 609 NH2 ARG A 43 -3.477 -17.084 -7.699 1.00 0.00 N ATOM 0 H ARG A 43 1.447 -13.683 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.560 -11.588 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.913 -14.469 -4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.577 -13.196 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.910 -12.354 -5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.201 -13.555 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.536 -14.495 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.551 -13.964 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.034 -16.432 -5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.275 -13.968 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.340 -15.069 -8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.120 -17.841 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.689 -17.254 -8.682 1.00 0.00 H new ATOM 623 N ILE A 44 0.224 -11.292 -3.118 1.00 0.00 N ATOM 624 CA ILE A 44 0.954 -10.882 -1.925 1.00 0.00 C ATOM 625 C ILE A 44 0.045 -10.877 -0.700 1.00 0.00 C ATOM 626 O ILE A 44 -1.129 -10.519 -0.785 1.00 0.00 O ATOM 627 CB ILE A 44 1.573 -9.483 -2.097 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.506 -8.481 -2.545 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.718 -9.529 -3.097 1.00 0.00 C ATOM 630 CD1 ILE A 44 0.924 -7.037 -2.375 1.00 0.00 C ATOM 0 H ILE A 44 -0.688 -10.849 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 44 1.754 -11.608 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 44 1.970 -9.157 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.268 -8.661 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.407 -8.656 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.145 -8.532 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.486 -10.215 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.345 -9.873 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.120 -6.383 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.134 -6.840 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.819 -6.845 -2.966 1.00 0.00 H new ATOM 642 N LYS A 45 0.598 -11.276 0.441 1.00 0.00 N ATOM 643 CA LYS A 45 -0.159 -11.315 1.686 1.00 0.00 C ATOM 644 C LYS A 45 -0.256 -9.925 2.308 1.00 0.00 C ATOM 645 O LYS A 45 0.745 -9.218 2.432 1.00 0.00 O ATOM 646 CB LYS A 45 0.494 -12.283 2.675 1.00 0.00 C ATOM 647 CG LYS A 45 -0.474 -12.854 3.697 1.00 0.00 C ATOM 648 CD LYS A 45 0.095 -14.090 4.373 1.00 0.00 C ATOM 649 CE LYS A 45 -1.006 -14.961 4.958 1.00 0.00 C ATOM 650 NZ LYS A 45 -1.321 -14.587 6.365 1.00 0.00 N ATOM 0 H LYS A 45 1.569 -11.577 0.529 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.166 -11.663 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.949 -13.103 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.299 -11.767 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.699 -12.098 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.415 -13.106 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.673 -14.668 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.782 -13.790 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.905 -14.869 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.701 -16.007 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.333 -14.744 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.757 -15.172 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.093 -13.584 6.517 1.00 0.00 H new ATOM 664 N LEU A 46 -1.466 -9.540 2.699 1.00 0.00 N ATOM 665 CA LEU A 46 -1.693 -8.235 3.310 1.00 0.00 C ATOM 666 C LEU A 46 -2.137 -8.383 4.762 1.00 0.00 C ATOM 667 O LEU A 46 -3.142 -9.033 5.052 1.00 0.00 O ATOM 668 CB LEU A 46 -2.746 -7.456 2.520 1.00 0.00 C ATOM 669 CG LEU A 46 -2.350 -7.041 1.103 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.261 -5.981 1.142 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.892 -8.250 0.301 1.00 0.00 C ATOM 0 H LEU A 46 -2.305 -10.113 2.604 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.753 -7.684 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.649 -8.063 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.002 -6.558 3.082 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.225 -6.615 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.992 -5.698 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.625 -5.105 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.384 -6.379 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.614 -7.935 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.031 -8.706 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.703 -8.976 0.243 1.00 0.00 H new ATOM 683 N HIS A 47 -1.381 -7.776 5.672 1.00 0.00 N ATOM 684 CA HIS A 47 -1.698 -7.838 7.094 1.00 0.00 C ATOM 685 C HIS A 47 -2.233 -6.498 7.590 1.00 0.00 C ATOM 686 O HIS A 47 -1.774 -5.438 7.163 1.00 0.00 O ATOM 687 CB HIS A 47 -0.459 -8.235 7.897 1.00 0.00 C ATOM 688 CG HIS A 47 -0.510 -7.802 9.330 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.180 -8.510 10.306 1.00 0.00 N ATOM 690 CD2 HIS A 47 0.032 -6.728 9.950 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.049 -7.888 11.465 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.318 -6.804 11.276 1.00 0.00 N ATOM 0 H HIS A 47 -0.545 -7.236 5.450 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.471 -8.593 7.237 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.342 -9.318 7.857 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.423 -7.801 7.426 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.629 -5.955 9.488 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.468 -8.211 12.406 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.056 -6.132 11.998 1.00 0.00 H new ATOM 701 N PHE A 48 -3.205 -6.553 8.494 1.00 0.00 N ATOM 702 CA PHE A 48 -3.803 -5.343 9.048 1.00 0.00 C ATOM 703 C PHE A 48 -3.169 -4.988 10.389 1.00 0.00 C ATOM 704 O PHE A 48 -3.280 -5.737 11.359 1.00 0.00 O ATOM 705 CB PHE A 48 -5.313 -5.527 9.217 1.00 0.00 C ATOM 706 CG PHE A 48 -6.068 -5.518 7.919 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.533 -4.328 7.382 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.311 -6.698 7.235 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.228 -4.316 6.188 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.006 -6.692 6.040 1.00 0.00 C ATOM 711 CZ PHE A 48 -7.464 -5.500 5.515 1.00 0.00 C ATOM 0 H PHE A 48 -3.596 -7.422 8.859 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.619 -4.525 8.352 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.501 -6.470 9.730 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.698 -4.733 9.857 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.350 -3.400 7.903 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.953 -7.633 7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.587 -3.382 5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.191 -7.619 5.517 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.005 -5.493 4.581 1.00 0.00 H new ATOM 721 N ASP A 49 -2.503 -3.839 10.436 1.00 0.00 N ATOM 722 CA ASP A 49 -1.851 -3.382 11.657 1.00 0.00 C ATOM 723 C ASP A 49 -2.820 -3.414 12.835 1.00 0.00 C ATOM 724 O ASP A 49 -3.946 -2.928 12.739 1.00 0.00 O ATOM 725 CB ASP A 49 -1.303 -1.967 11.470 1.00 0.00 C ATOM 726 CG ASP A 49 -0.459 -1.512 12.644 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.805 -1.860 13.792 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.547 -0.808 12.416 1.00 0.00 O ATOM 0 H ASP A 49 -2.401 -3.207 9.642 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.023 -4.058 11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.704 -1.930 10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.133 -1.274 11.333 1.00 0.00 H new ATOM 733 N GLY A 50 -2.373 -3.990 13.947 1.00 0.00 N ATOM 734 CA GLY A 50 -3.214 -4.076 15.127 1.00 0.00 C ATOM 735 C GLY A 50 -4.217 -5.209 15.044 1.00 0.00 C ATOM 736 O GLY A 50 -4.310 -6.034 15.954 1.00 0.00 O ATOM 0 H GLY A 50 -1.444 -4.398 14.052 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.586 -4.215 16.007 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.745 -3.134 15.260 1.00 0.00 H new ATOM 740 N TYR A 51 -4.971 -5.251 13.951 1.00 0.00 N ATOM 741 CA TYR A 51 -5.975 -6.289 13.754 1.00 0.00 C ATOM 742 C TYR A 51 -5.332 -7.672 13.737 1.00 0.00 C ATOM 743 O TYR A 51 -4.138 -7.811 13.473 1.00 0.00 O ATOM 744 CB TYR A 51 -6.736 -6.052 12.448 1.00 0.00 C ATOM 745 CG TYR A 51 -7.737 -4.922 12.528 1.00 0.00 C ATOM 746 CD1 TYR A 51 -8.966 -5.100 13.152 1.00 0.00 C ATOM 747 CD2 TYR A 51 -7.456 -3.677 11.978 1.00 0.00 C ATOM 748 CE1 TYR A 51 -9.885 -4.071 13.227 1.00 0.00 C ATOM 749 CE2 TYR A 51 -8.369 -2.643 12.049 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.582 -2.844 12.674 1.00 0.00 C ATOM 751 OH TYR A 51 -10.494 -1.816 12.746 1.00 0.00 O ATOM 0 H TYR A 51 -4.906 -4.578 13.188 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.676 -6.244 14.588 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.021 -5.837 11.654 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.256 -6.968 12.169 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.207 -6.059 13.586 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.508 -3.515 11.487 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.835 -4.226 13.716 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.134 -1.681 11.617 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.125 -1.020 12.309 1.00 0.00 H new ATOM 761 N SER A 52 -6.134 -8.694 14.021 1.00 0.00 N ATOM 762 CA SER A 52 -5.645 -10.067 14.042 1.00 0.00 C ATOM 763 C SER A 52 -5.172 -10.497 12.656 1.00 0.00 C ATOM 764 O SER A 52 -5.717 -10.064 11.641 1.00 0.00 O ATOM 765 CB SER A 52 -6.740 -11.014 14.536 1.00 0.00 C ATOM 766 OG SER A 52 -6.183 -12.138 15.195 1.00 0.00 O ATOM 0 H SER A 52 -7.125 -8.596 14.240 1.00 0.00 H new ATOM 0 HA SER A 52 -4.798 -10.114 14.727 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.405 -10.482 15.216 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.346 -11.346 13.693 1.00 0.00 H new ATOM 0 HG SER A 52 -6.903 -12.727 15.503 1.00 0.00 H new ATOM 772 N ASP A 53 -4.156 -11.351 12.623 1.00 0.00 N ATOM 773 CA ASP A 53 -3.609 -11.841 11.363 1.00 0.00 C ATOM 774 C ASP A 53 -4.375 -13.069 10.880 1.00 0.00 C ATOM 775 O ASP A 53 -3.818 -13.931 10.199 1.00 0.00 O ATOM 776 CB ASP A 53 -2.126 -12.179 11.523 1.00 0.00 C ATOM 777 CG ASP A 53 -1.856 -13.032 12.746 1.00 0.00 C ATOM 778 OD1 ASP A 53 -1.811 -12.473 13.862 1.00 0.00 O ATOM 779 OD2 ASP A 53 -1.689 -14.260 12.588 1.00 0.00 O ATOM 0 H ASP A 53 -3.694 -11.719 13.455 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.715 -11.053 10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.778 -12.704 10.633 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.551 -11.255 11.594 1.00 0.00 H new ATOM 784 N CYS A 54 -5.652 -13.141 11.236 1.00 0.00 N ATOM 785 CA CYS A 54 -6.494 -14.265 10.841 1.00 0.00 C ATOM 786 C CYS A 54 -7.326 -13.914 9.612 1.00 0.00 C ATOM 787 O CYS A 54 -7.724 -14.793 8.847 1.00 0.00 O ATOM 788 CB CYS A 54 -7.412 -14.672 11.994 1.00 0.00 C ATOM 789 SG CYS A 54 -8.468 -16.094 11.630 1.00 0.00 S ATOM 0 H CYS A 54 -6.128 -12.435 11.797 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.844 -15.104 10.591 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.801 -14.901 12.867 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.042 -13.823 12.259 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.651 -16.181 10.346 1.00 0.00 H new ATOM 795 N TYR A 55 -7.588 -12.624 9.429 1.00 0.00 N ATOM 796 CA TYR A 55 -8.377 -12.157 8.295 1.00 0.00 C ATOM 797 C TYR A 55 -7.474 -11.669 7.167 1.00 0.00 C ATOM 798 O TYR A 55 -7.820 -10.739 6.438 1.00 0.00 O ATOM 799 CB TYR A 55 -9.320 -11.035 8.731 1.00 0.00 C ATOM 800 CG TYR A 55 -9.980 -11.283 10.069 1.00 0.00 C ATOM 801 CD1 TYR A 55 -11.110 -12.085 10.171 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.472 -10.716 11.232 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.715 -12.314 11.391 1.00 0.00 C ATOM 804 CE2 TYR A 55 -10.071 -10.941 12.456 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.192 -11.740 12.531 1.00 0.00 C ATOM 806 OH TYR A 55 -11.792 -11.966 13.748 1.00 0.00 O ATOM 0 H TYR A 55 -7.265 -11.883 10.052 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.967 -12.996 7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.761 -10.100 8.779 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.092 -10.906 7.973 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.522 -12.537 9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.594 -10.089 11.178 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.593 -12.939 11.452 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.663 -10.493 13.350 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.299 -11.490 14.449 1.00 0.00 H new ATOM 816 N ASP A 56 -6.315 -12.303 7.030 1.00 0.00 N ATOM 817 CA ASP A 56 -5.361 -11.936 5.990 1.00 0.00 C ATOM 818 C ASP A 56 -5.915 -12.256 4.606 1.00 0.00 C ATOM 819 O ASP A 56 -6.460 -13.337 4.378 1.00 0.00 O ATOM 820 CB ASP A 56 -4.034 -12.667 6.203 1.00 0.00 C ATOM 821 CG ASP A 56 -3.149 -11.975 7.221 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.774 -10.808 6.985 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.830 -12.601 8.254 1.00 0.00 O ATOM 0 H ASP A 56 -6.013 -13.074 7.626 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.189 -10.861 6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.233 -13.687 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.504 -12.737 5.253 1.00 0.00 H new ATOM 828 N PHE A 57 -5.775 -11.309 3.684 1.00 0.00 N ATOM 829 CA PHE A 57 -6.264 -11.490 2.322 1.00 0.00 C ATOM 830 C PHE A 57 -5.173 -11.164 1.305 1.00 0.00 C ATOM 831 O PHE A 57 -4.465 -10.166 1.437 1.00 0.00 O ATOM 832 CB PHE A 57 -7.487 -10.605 2.075 1.00 0.00 C ATOM 833 CG PHE A 57 -7.158 -9.143 1.965 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.719 -8.434 3.071 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.287 -8.480 0.756 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.416 -7.089 2.973 1.00 0.00 C ATOM 837 CE2 PHE A 57 -6.985 -7.135 0.651 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.548 -6.439 1.761 1.00 0.00 C ATOM 0 H PHE A 57 -5.327 -10.409 3.855 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.550 -12.535 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.980 -10.928 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.199 -10.749 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.612 -8.938 4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.628 -9.020 -0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.076 -6.547 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -7.091 -6.629 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.310 -5.389 1.682 1.00 0.00 H new ATOM 848 N TRP A 58 -5.045 -12.014 0.293 1.00 0.00 N ATOM 849 CA TRP A 58 -4.041 -11.818 -0.747 1.00 0.00 C ATOM 850 C TRP A 58 -4.618 -11.034 -1.920 1.00 0.00 C ATOM 851 O TRP A 58 -5.629 -11.425 -2.504 1.00 0.00 O ATOM 852 CB TRP A 58 -3.509 -13.167 -1.232 1.00 0.00 C ATOM 853 CG TRP A 58 -2.797 -13.943 -0.165 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.339 -14.446 0.983 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.411 -14.303 -0.147 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.374 -15.096 1.713 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.183 -15.023 1.041 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.341 -14.088 -1.020 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.071 -15.528 1.377 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.902 -14.589 -0.686 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.100 -15.302 0.504 1.00 0.00 C ATOM 0 H TRP A 58 -5.623 -12.845 0.170 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.219 -11.244 -0.320 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.340 -13.762 -1.611 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.828 -13.002 -2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.374 -14.347 1.274 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.521 -15.558 2.610 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.484 -13.540 -1.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.225 -16.078 2.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.736 -14.428 -1.353 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.084 -15.681 0.737 1.00 0.00 H new ATOM 872 N VAL A 59 -3.969 -9.924 -2.261 1.00 0.00 N ATOM 873 CA VAL A 59 -4.418 -9.086 -3.366 1.00 0.00 C ATOM 874 C VAL A 59 -3.543 -9.286 -4.599 1.00 0.00 C ATOM 875 O VAL A 59 -2.510 -9.953 -4.537 1.00 0.00 O ATOM 876 CB VAL A 59 -4.408 -7.595 -2.980 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.262 -7.358 -1.744 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.983 -7.113 -2.754 1.00 0.00 C ATOM 0 H VAL A 59 -3.131 -9.585 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.440 -9.387 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.835 -7.021 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.243 -6.299 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.288 -7.664 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.867 -7.941 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.995 -6.058 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.527 -7.690 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.405 -7.246 -3.668 1.00 0.00 H new ATOM 888 N ASN A 60 -3.962 -8.703 -5.717 1.00 0.00 N ATOM 889 CA ASN A 60 -3.216 -8.818 -6.965 1.00 0.00 C ATOM 890 C ASN A 60 -1.914 -8.026 -6.895 1.00 0.00 C ATOM 891 O ASN A 60 -1.926 -6.809 -6.711 1.00 0.00 O ATOM 892 CB ASN A 60 -4.065 -8.323 -8.138 1.00 0.00 C ATOM 893 CG ASN A 60 -5.467 -8.902 -8.122 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.671 -10.072 -8.446 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.441 -8.082 -7.744 1.00 0.00 N ATOM 0 H ASN A 60 -4.814 -8.146 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.973 -9.869 -7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.124 -7.235 -8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.576 -8.589 -9.075 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.405 -8.415 -7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.225 -7.120 -7.484 1.00 0.00 H new ATOM 902 N ALA A 61 -0.794 -8.725 -7.043 1.00 0.00 N ATOM 903 CA ALA A 61 0.516 -8.087 -6.999 1.00 0.00 C ATOM 904 C ALA A 61 0.489 -6.730 -7.695 1.00 0.00 C ATOM 905 O ALA A 61 1.127 -5.778 -7.244 1.00 0.00 O ATOM 906 CB ALA A 61 1.563 -8.988 -7.637 1.00 0.00 C ATOM 0 H ALA A 61 -0.767 -9.733 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 61 0.779 -7.925 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.536 -8.499 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.609 -9.933 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.295 -9.178 -8.676 1.00 0.00 H new ATOM 912 N ASP A 62 -0.252 -6.649 -8.794 1.00 0.00 N ATOM 913 CA ASP A 62 -0.362 -5.407 -9.552 1.00 0.00 C ATOM 914 C ASP A 62 -1.771 -4.832 -9.450 1.00 0.00 C ATOM 915 O ASP A 62 -2.349 -4.400 -10.447 1.00 0.00 O ATOM 916 CB ASP A 62 0.001 -5.646 -11.019 1.00 0.00 C ATOM 917 CG ASP A 62 1.497 -5.766 -11.234 1.00 0.00 C ATOM 918 OD1 ASP A 62 2.251 -5.016 -10.580 1.00 0.00 O ATOM 919 OD2 ASP A 62 1.913 -6.608 -12.056 1.00 0.00 O ATOM 0 H ASP A 62 -0.785 -7.428 -9.180 1.00 0.00 H new ATOM 0 HA ASP A 62 0.336 -4.687 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.487 -6.556 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.385 -4.826 -11.624 1.00 0.00 H new ATOM 924 N ALA A 63 -2.318 -4.830 -8.239 1.00 0.00 N ATOM 925 CA ALA A 63 -3.658 -4.306 -8.007 1.00 0.00 C ATOM 926 C ALA A 63 -3.674 -2.784 -8.084 1.00 0.00 C ATOM 927 O ALA A 63 -2.623 -2.142 -8.102 1.00 0.00 O ATOM 928 CB ALA A 63 -4.181 -4.774 -6.657 1.00 0.00 C ATOM 0 H ALA A 63 -1.854 -5.185 -7.403 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.312 -4.689 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.183 -4.375 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.217 -5.863 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.519 -4.419 -5.867 1.00 0.00 H new ATOM 934 N LEU A 64 -4.872 -2.211 -8.130 1.00 0.00 N ATOM 935 CA LEU A 64 -5.024 -0.762 -8.206 1.00 0.00 C ATOM 936 C LEU A 64 -5.411 -0.183 -6.849 1.00 0.00 C ATOM 937 O LEU A 64 -4.964 0.901 -6.474 1.00 0.00 O ATOM 938 CB LEU A 64 -6.081 -0.395 -9.250 1.00 0.00 C ATOM 939 CG LEU A 64 -5.920 -1.045 -10.624 1.00 0.00 C ATOM 940 CD1 LEU A 64 -7.142 -0.773 -11.489 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.658 -0.543 -11.309 1.00 0.00 C ATOM 0 H LEU A 64 -5.752 -2.727 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.066 -0.336 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.061 -0.664 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.075 0.687 -9.379 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.829 -2.122 -10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.010 -1.243 -12.463 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.029 -1.183 -11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.264 0.302 -11.619 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.561 -1.017 -12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.718 0.538 -11.435 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.790 -0.790 -10.698 1.00 0.00 H new ATOM 953 N ASP A 65 -6.244 -0.914 -6.116 1.00 0.00 N ATOM 954 CA ASP A 65 -6.689 -0.475 -4.798 1.00 0.00 C ATOM 955 C ASP A 65 -5.497 -0.165 -3.898 1.00 0.00 C ATOM 956 O ASP A 65 -5.515 0.807 -3.142 1.00 0.00 O ATOM 957 CB ASP A 65 -7.568 -1.546 -4.150 1.00 0.00 C ATOM 958 CG ASP A 65 -7.027 -2.946 -4.364 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.392 -3.576 -5.379 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.238 -3.412 -3.516 1.00 0.00 O ATOM 0 H ASP A 65 -6.625 -1.813 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.274 0.436 -4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.646 -1.349 -3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.576 -1.482 -4.561 1.00 0.00 H new ATOM 965 N ILE A 66 -4.465 -0.997 -3.983 1.00 0.00 N ATOM 966 CA ILE A 66 -3.266 -0.811 -3.176 1.00 0.00 C ATOM 967 C ILE A 66 -2.526 0.461 -3.576 1.00 0.00 C ATOM 968 O ILE A 66 -2.520 0.848 -4.745 1.00 0.00 O ATOM 969 CB ILE A 66 -2.308 -2.010 -3.306 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.878 -2.192 -4.763 1.00 0.00 C ATOM 971 CG2 ILE A 66 -2.970 -3.276 -2.782 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.847 -3.282 -4.957 1.00 0.00 C ATOM 0 H ILE A 66 -4.435 -1.807 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.593 -0.728 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.419 -1.813 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.756 -2.422 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.474 -1.250 -5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.281 -4.115 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.231 -3.142 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.873 -3.479 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.589 -3.355 -6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.047 -3.044 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.255 -4.234 -4.617 1.00 0.00 H new ATOM 984 N HIS A 67 -1.901 1.108 -2.597 1.00 0.00 N ATOM 985 CA HIS A 67 -1.155 2.336 -2.847 1.00 0.00 C ATOM 986 C HIS A 67 0.058 2.432 -1.927 1.00 0.00 C ATOM 987 O HIS A 67 0.066 1.908 -0.813 1.00 0.00 O ATOM 988 CB HIS A 67 -2.057 3.555 -2.650 1.00 0.00 C ATOM 989 CG HIS A 67 -3.156 3.656 -3.662 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.941 3.554 -5.020 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.487 3.851 -3.507 1.00 0.00 C ATOM 992 CE1 HIS A 67 -4.092 3.682 -5.656 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.046 3.863 -4.761 1.00 0.00 N ATOM 0 H HIS A 67 -1.896 0.802 -1.624 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.805 2.315 -3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.495 3.515 -1.653 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.448 4.458 -2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.011 3.974 -2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.229 3.645 -6.727 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.037 3.991 -4.968 1.00 0.00 H new ATOM 1002 N PRO A 68 1.110 3.116 -2.402 1.00 0.00 N ATOM 1003 CA PRO A 68 2.348 3.296 -1.638 1.00 0.00 C ATOM 1004 C PRO A 68 2.161 4.223 -0.441 1.00 0.00 C ATOM 1005 O PRO A 68 1.259 5.061 -0.428 1.00 0.00 O ATOM 1006 CB PRO A 68 3.304 3.923 -2.655 1.00 0.00 C ATOM 1007 CG PRO A 68 2.418 4.604 -3.640 1.00 0.00 C ATOM 1008 CD PRO A 68 1.171 3.767 -3.721 1.00 0.00 C ATOM 0 HA PRO A 68 2.707 2.357 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.982 4.630 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.922 3.165 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.186 5.620 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.902 4.679 -4.614 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.288 4.378 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.230 3.036 -4.527 1.00 0.00 H new ATOM 1016 N VAL A 69 3.019 4.067 0.562 1.00 0.00 N ATOM 1017 CA VAL A 69 2.949 4.891 1.763 1.00 0.00 C ATOM 1018 C VAL A 69 2.841 6.370 1.409 1.00 0.00 C ATOM 1019 O VAL A 69 3.475 6.841 0.465 1.00 0.00 O ATOM 1020 CB VAL A 69 4.181 4.679 2.662 1.00 0.00 C ATOM 1021 CG1 VAL A 69 4.022 5.433 3.973 1.00 0.00 C ATOM 1022 CG2 VAL A 69 4.407 3.196 2.914 1.00 0.00 C ATOM 0 H VAL A 69 3.771 3.378 0.567 1.00 0.00 H new ATOM 0 HA VAL A 69 2.055 4.584 2.306 1.00 0.00 H new ATOM 0 HB VAL A 69 5.057 5.075 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.902 5.271 4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.913 6.498 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.137 5.071 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.282 3.064 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.532 2.773 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.570 2.686 1.964 1.00 0.00 H new ATOM 1032 N GLY A 70 2.033 7.099 2.173 1.00 0.00 N ATOM 1033 CA GLY A 70 1.856 8.517 1.924 1.00 0.00 C ATOM 1034 C GLY A 70 1.099 8.791 0.640 1.00 0.00 C ATOM 1035 O GLY A 70 1.421 9.728 -0.091 1.00 0.00 O ATOM 0 H GLY A 70 1.498 6.732 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.320 8.965 2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.833 8.999 1.876 1.00 0.00 H new ATOM 1039 N TRP A 71 0.091 7.972 0.364 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.714 8.130 -0.843 1.00 0.00 C ATOM 1041 C TRP A 71 -1.994 8.904 -0.546 1.00 0.00 C ATOM 1042 O TRP A 71 -2.416 9.748 -1.337 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.056 6.762 -1.435 1.00 0.00 C ATOM 1044 CG TRP A 71 -1.957 6.840 -2.630 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.579 6.966 -3.936 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.389 6.800 -2.627 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.688 7.007 -4.745 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.811 6.906 -3.967 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.354 6.683 -1.624 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.156 6.899 -4.326 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.689 6.677 -1.982 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.080 6.784 -3.323 1.00 0.00 C ATOM 0 H TRP A 71 -0.189 7.192 0.959 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.130 8.696 -1.568 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.133 6.255 -1.717 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.533 6.151 -0.668 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.558 7.025 -4.282 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.677 7.098 -5.761 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.062 6.599 -0.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.459 6.981 -5.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.444 6.588 -1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.131 6.776 -3.570 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.606 8.610 0.595 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.839 9.279 0.995 1.00 0.00 C ATOM 1065 C CYS A 72 -3.663 10.794 0.989 1.00 0.00 C ATOM 1066 O CYS A 72 -4.335 11.503 0.241 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.271 8.809 2.385 1.00 0.00 C ATOM 1068 SG CYS A 72 -5.960 9.275 2.830 1.00 0.00 S ATOM 0 H CYS A 72 -2.269 7.913 1.259 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.614 9.019 0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.180 7.724 2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.585 9.220 3.125 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.141 10.538 2.583 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.755 11.282 1.829 1.00 0.00 N ATOM 1075 CA GLU A 73 -2.493 12.714 1.921 1.00 0.00 C ATOM 1076 C GLU A 73 -2.092 13.282 0.563 1.00 0.00 C ATOM 1077 O GLU A 73 -2.420 14.422 0.232 1.00 0.00 O ATOM 1078 CB GLU A 73 -1.391 12.988 2.947 1.00 0.00 C ATOM 1079 CG GLU A 73 -1.883 12.980 4.385 1.00 0.00 C ATOM 1080 CD GLU A 73 -0.756 12.815 5.386 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -0.019 11.811 5.288 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -0.610 13.689 6.266 1.00 0.00 O ATOM 0 H GLU A 73 -2.189 10.708 2.454 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.411 13.206 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.608 12.238 2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.938 13.956 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.412 13.911 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.601 12.170 4.515 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.379 12.480 -0.220 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.932 12.900 -1.543 1.00 0.00 C ATOM 1091 C LYS A 74 -2.112 13.348 -2.399 1.00 0.00 C ATOM 1092 O LYS A 74 -2.158 14.487 -2.865 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.187 11.758 -2.239 1.00 0.00 C ATOM 1094 CG LYS A 74 0.800 12.229 -3.292 1.00 0.00 C ATOM 1095 CD LYS A 74 0.141 12.364 -4.654 1.00 0.00 C ATOM 1096 CE LYS A 74 1.173 12.518 -5.760 1.00 0.00 C ATOM 1097 NZ LYS A 74 0.544 12.515 -7.110 1.00 0.00 N ATOM 0 H LYS A 74 -1.098 11.534 0.039 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.255 13.745 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.346 11.173 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.913 11.093 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.221 13.189 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.629 11.524 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.475 11.486 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.525 13.227 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.722 13.449 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.898 11.707 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.281 12.622 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.041 11.617 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.129 13.304 -7.181 1.00 0.00 H new ATOM 1111 N THR A 75 -3.067 12.445 -2.602 1.00 0.00 N ATOM 1112 CA THR A 75 -4.247 12.748 -3.401 1.00 0.00 C ATOM 1113 C THR A 75 -5.239 13.599 -2.617 1.00 0.00 C ATOM 1114 O THR A 75 -5.489 14.754 -2.962 1.00 0.00 O ATOM 1115 CB THR A 75 -4.952 11.461 -3.871 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.465 10.743 -2.744 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.994 10.573 -4.651 1.00 0.00 C ATOM 0 H THR A 75 -3.046 11.498 -2.224 1.00 0.00 H new ATOM 0 HA THR A 75 -3.904 13.306 -4.272 1.00 0.00 H new ATOM 0 HB THR A 75 -5.776 11.744 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.913 9.927 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.514 9.671 -4.972 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.628 11.112 -5.525 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.152 10.299 -4.015 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.801 13.022 -1.560 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.759 13.744 -0.743 1.00 0.00 C ATOM 1127 C GLY A 76 -7.948 12.888 -0.351 1.00 0.00 C ATOM 1128 O GLY A 76 -9.084 13.183 -0.722 1.00 0.00 O ATOM 0 H GLY A 76 -5.610 12.068 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.264 14.107 0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.110 14.620 -1.288 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.686 11.824 0.401 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.743 10.921 0.843 1.00 0.00 C ATOM 1134 C HIS A 77 -8.743 10.787 2.363 1.00 0.00 C ATOM 1135 O HIS A 77 -7.983 11.462 3.056 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.572 9.546 0.198 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.863 8.812 0.000 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.345 7.694 0.590 1.00 0.00 N flip ATOM 1139 CD2 HIS A 77 -10.827 9.215 -0.900 1.00 0.00 C flip ATOM 1140 CE1 HIS A 77 -11.580 7.445 0.043 1.00 0.00 C flip ATOM 1141 NE2 HIS A 77 -11.847 8.377 -0.853 1.00 0.00 N flip ATOM 0 H HIS A 77 -6.751 11.566 0.717 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.699 11.342 0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.080 9.665 -0.767 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.912 8.942 0.820 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.759 10.080 -1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.227 6.621 0.304 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.697 8.439 -1.414 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.601 9.911 2.875 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.700 9.686 4.312 1.00 0.00 C ATOM 1152 C LYS A 78 -9.190 8.297 4.682 1.00 0.00 C ATOM 1153 O LYS A 78 -9.939 7.320 4.646 1.00 0.00 O ATOM 1154 CB LYS A 78 -11.150 9.849 4.775 1.00 0.00 C ATOM 1155 CG LYS A 78 -11.505 11.272 5.171 1.00 0.00 C ATOM 1156 CD LYS A 78 -11.231 11.526 6.644 1.00 0.00 C ATOM 1157 CE LYS A 78 -11.387 12.998 6.994 1.00 0.00 C ATOM 1158 NZ LYS A 78 -12.818 13.381 7.154 1.00 0.00 N ATOM 0 H LYS A 78 -10.238 9.345 2.315 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.079 10.427 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.817 9.526 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.328 9.189 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.929 11.973 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.558 11.458 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.915 10.932 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.221 11.198 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.849 13.211 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.933 13.607 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.882 14.391 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.327 13.202 6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.245 12.818 7.917 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.913 8.217 5.039 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.303 6.947 5.418 1.00 0.00 C ATOM 1174 C LEU A 79 -7.891 6.429 6.726 1.00 0.00 C ATOM 1175 O LEU A 79 -8.181 7.204 7.639 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.788 7.107 5.555 1.00 0.00 C ATOM 1177 CG LEU A 79 -5.060 5.991 6.303 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.028 4.720 5.468 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.648 6.426 6.669 1.00 0.00 C ATOM 0 H LEU A 79 -7.280 9.016 5.074 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.516 6.222 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.360 7.187 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.587 8.049 6.064 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.605 5.783 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.506 3.937 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.048 4.397 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.508 4.914 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.145 5.619 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.093 6.663 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.693 7.308 7.307 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.063 5.114 6.812 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.615 4.492 8.011 1.00 0.00 C ATOM 1193 C HIS A 80 -7.515 3.823 8.830 1.00 0.00 C ATOM 1194 O HIS A 80 -6.863 2.878 8.386 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.682 3.464 7.633 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.732 4.003 6.711 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.037 4.220 7.102 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.664 4.370 5.410 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.726 4.696 6.080 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -11.917 4.797 5.042 1.00 0.00 N ATOM 0 H HIS A 80 -7.828 4.459 6.067 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.073 5.273 8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.199 2.608 7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.161 3.098 8.541 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.788 4.334 4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.774 4.958 6.092 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.179 5.137 4.117 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.302 4.324 10.056 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.282 3.790 10.963 1.00 0.00 C ATOM 1211 C PRO A 81 -6.639 2.403 11.486 1.00 0.00 C ATOM 1212 O PRO A 81 -7.779 1.948 11.381 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.261 4.804 12.110 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.617 5.422 12.094 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.042 5.450 10.651 1.00 0.00 C ATOM 0 HA PRO A 81 -5.320 3.667 10.466 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.059 4.318 13.064 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.483 5.553 11.962 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.317 4.843 12.696 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.593 6.428 12.513 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.120 5.323 10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.785 6.396 10.175 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.644 1.712 12.062 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.830 0.367 12.613 1.00 0.00 C ATOM 1225 C PRO A 82 -6.689 0.370 13.872 1.00 0.00 C ATOM 1226 O PRO A 82 -7.381 1.346 14.162 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.403 -0.083 12.939 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.646 1.182 13.149 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.261 2.192 12.220 1.00 0.00 C ATOM 0 HA PRO A 82 -6.350 -0.291 11.917 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.380 -0.711 13.830 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.977 -0.669 12.125 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.717 1.512 14.186 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.587 1.044 12.930 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.230 3.197 12.641 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.737 2.231 11.265 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.640 -0.728 14.619 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.412 -0.853 15.850 1.00 0.00 C ATOM 1239 C LYS A 83 -6.920 0.135 16.902 1.00 0.00 C ATOM 1240 O LYS A 83 -5.742 0.146 17.256 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.319 -2.281 16.392 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.018 -2.571 17.121 1.00 0.00 C ATOM 1243 CD LYS A 83 -5.735 -4.062 17.184 1.00 0.00 C ATOM 1244 CE LYS A 83 -6.332 -4.690 18.434 1.00 0.00 C ATOM 1245 NZ LYS A 83 -6.349 -6.177 18.354 1.00 0.00 N ATOM 0 H LYS A 83 -6.073 -1.545 14.393 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.453 -0.625 15.622 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.153 -2.458 17.071 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.426 -2.983 15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.196 -2.065 16.615 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.068 -2.166 18.132 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.145 -4.549 16.299 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.658 -4.230 17.170 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.757 -4.380 19.306 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.348 -4.322 18.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.030 -6.577 19.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.316 -6.503 18.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.713 -6.491 17.593 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.832 0.965 17.401 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.472 1.944 18.409 1.00 0.00 C ATOM 1261 C GLY A 84 -6.438 2.935 17.912 1.00 0.00 C ATOM 1262 O GLY A 84 -5.448 3.203 18.592 1.00 0.00 O ATOM 0 H GLY A 84 -8.814 0.976 17.124 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.366 2.483 18.723 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.085 1.430 19.288 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.668 3.479 16.722 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.746 4.443 16.132 1.00 0.00 C ATOM 1268 C TYR A 85 -6.501 5.497 15.328 1.00 0.00 C ATOM 1269 O TYR A 85 -7.523 5.207 14.706 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.734 3.729 15.234 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.479 3.299 15.960 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.435 4.191 16.171 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.337 2.001 16.433 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.286 3.803 16.832 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.192 1.604 17.097 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.170 2.508 17.294 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.027 2.116 17.953 1.00 0.00 O ATOM 0 H TYR A 85 -7.484 3.269 16.147 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.214 4.942 16.942 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.207 2.852 14.793 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.460 4.390 14.412 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.523 5.206 15.812 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.135 1.290 16.279 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.483 4.509 16.986 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.098 0.591 17.460 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.106 1.175 18.214 1.00 0.00 H new ATOM 1287 N LYS A 86 -5.991 6.724 15.346 1.00 0.00 N ATOM 1288 CA LYS A 86 -6.613 7.823 14.618 1.00 0.00 C ATOM 1289 C LYS A 86 -5.714 8.302 13.483 1.00 0.00 C ATOM 1290 O LYS A 86 -4.524 7.993 13.450 1.00 0.00 O ATOM 1291 CB LYS A 86 -6.916 8.984 15.568 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.267 8.872 16.254 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.406 9.181 15.297 1.00 0.00 C ATOM 1294 CE LYS A 86 -10.760 8.944 15.948 1.00 0.00 C ATOM 1295 NZ LYS A 86 -11.113 10.028 16.906 1.00 0.00 N ATOM 0 H LYS A 86 -5.147 6.982 15.858 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.547 7.459 14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.135 9.034 16.327 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.878 9.919 15.009 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.390 7.866 16.655 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.305 9.559 17.100 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.335 10.218 14.968 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.315 8.558 14.407 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.527 8.877 15.176 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.749 7.987 16.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.042 9.829 17.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.395 10.075 17.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.149 10.938 16.403 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.292 9.060 12.556 1.00 0.00 N ATOM 1310 CA GLU A 87 -5.541 9.582 11.420 1.00 0.00 C ATOM 1311 C GLU A 87 -4.571 10.673 11.865 1.00 0.00 C ATOM 1312 O GLU A 87 -3.384 10.630 11.542 1.00 0.00 O ATOM 1313 CB GLU A 87 -6.496 10.135 10.360 1.00 0.00 C ATOM 1314 CG GLU A 87 -5.792 10.865 9.229 1.00 0.00 C ATOM 1315 CD GLU A 87 -6.688 11.074 8.023 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -7.801 11.613 8.196 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -6.275 10.698 6.906 1.00 0.00 O ATOM 0 H GLU A 87 -7.277 9.326 12.569 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.966 8.762 10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.079 9.313 9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.201 10.816 10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.441 11.832 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.911 10.298 8.929 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.086 11.648 12.607 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.265 12.751 13.094 1.00 0.00 C ATOM 1326 C GLU A 88 -3.162 12.241 14.018 1.00 0.00 C ATOM 1327 O GLU A 88 -2.023 12.701 13.953 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.131 13.773 13.832 1.00 0.00 C ATOM 1329 CG GLU A 88 -5.883 13.192 15.017 1.00 0.00 C ATOM 1330 CD GLU A 88 -6.661 14.242 15.786 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -6.043 15.231 16.233 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.889 14.074 15.942 1.00 0.00 O ATOM 0 H GLU A 88 -6.066 11.697 12.884 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.801 13.233 12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.498 14.589 14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.848 14.201 13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.569 12.422 14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.175 12.705 15.688 1.00 0.00 H new ATOM 1339 N GLU A 89 -3.511 11.289 14.877 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.552 10.718 15.815 1.00 0.00 C ATOM 1341 C GLU A 89 -1.554 9.818 15.092 1.00 0.00 C ATOM 1342 O GLU A 89 -0.349 10.073 15.104 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.278 9.923 16.902 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.298 10.741 17.676 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.694 11.980 18.307 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.715 11.841 19.070 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -4.200 13.089 18.037 1.00 0.00 O ATOM 0 H GLU A 89 -4.450 10.897 14.943 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.005 11.538 16.280 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.780 9.071 16.443 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.542 9.521 17.599 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.106 11.036 17.006 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.741 10.120 18.455 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.063 8.764 14.464 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.218 7.825 13.737 1.00 0.00 C ATOM 1356 C PHE A 90 -0.523 8.512 12.565 1.00 0.00 C ATOM 1357 O PHE A 90 -1.110 8.688 11.498 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.049 6.644 13.230 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.232 5.587 12.543 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.377 4.773 13.268 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.320 5.408 11.172 1.00 0.00 C ATOM 1362 CE1 PHE A 90 0.375 3.799 12.639 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.570 4.436 10.537 1.00 0.00 C ATOM 1364 CZ PHE A 90 0.279 3.631 11.271 1.00 0.00 C ATOM 0 H PHE A 90 -3.058 8.539 14.444 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.456 7.456 14.423 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.577 6.194 14.071 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.806 7.013 12.538 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.297 4.901 14.337 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.982 6.035 10.593 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.037 3.170 13.216 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.648 4.306 9.468 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.867 2.872 10.777 1.00 0.00 H new ATOM 1374 N ASN A 91 0.731 8.901 12.773 1.00 0.00 N ATOM 1375 CA ASN A 91 1.506 9.571 11.735 1.00 0.00 C ATOM 1376 C ASN A 91 2.510 8.612 11.103 1.00 0.00 C ATOM 1377 O ASN A 91 3.428 8.132 11.768 1.00 0.00 O ATOM 1378 CB ASN A 91 2.236 10.782 12.317 1.00 0.00 C ATOM 1379 CG ASN A 91 2.375 11.911 11.313 1.00 0.00 C ATOM 1380 OD1 ASN A 91 1.661 11.956 10.311 1.00 0.00 O ATOM 1381 ND2 ASN A 91 3.297 12.829 11.579 1.00 0.00 N ATOM 0 H ASN A 91 1.232 8.764 13.651 1.00 0.00 H new ATOM 0 HA ASN A 91 0.817 9.909 10.961 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.696 11.142 13.192 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.226 10.477 12.657 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.436 13.612 10.940 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.866 12.751 12.422 1.00 0.00 H new ATOM 1388 N TRP A 92 2.330 8.341 9.815 1.00 0.00 N ATOM 1389 CA TRP A 92 3.222 7.440 9.093 1.00 0.00 C ATOM 1390 C TRP A 92 4.661 7.600 9.569 1.00 0.00 C ATOM 1391 O TRP A 92 5.218 6.702 10.199 1.00 0.00 O ATOM 1392 CB TRP A 92 3.137 7.705 7.588 1.00 0.00 C ATOM 1393 CG TRP A 92 2.095 6.879 6.898 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.923 7.323 6.357 1.00 0.00 C ATOM 1395 CD2 TRP A 92 2.131 5.465 6.676 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.227 6.271 5.812 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.947 5.120 5.994 1.00 0.00 C ATOM 1398 CE3 TRP A 92 3.048 4.457 6.985 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.659 3.811 5.618 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.760 3.157 6.612 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.575 2.844 5.934 1.00 0.00 C ATOM 0 H TRP A 92 1.576 8.731 9.250 1.00 0.00 H new ATOM 0 HA TRP A 92 2.905 6.417 9.294 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.921 8.761 7.424 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.108 7.504 7.135 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.591 8.351 6.357 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.679 6.337 5.347 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.965 4.689 7.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.254 3.567 5.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.461 2.370 6.847 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.380 1.819 5.655 1.00 0.00 H new ATOM 1412 N GLN A 93 5.256 8.749 9.265 1.00 0.00 N ATOM 1413 CA GLN A 93 6.632 9.025 9.664 1.00 0.00 C ATOM 1414 C GLN A 93 6.861 8.650 11.124 1.00 0.00 C ATOM 1415 O GLN A 93 7.868 8.029 11.466 1.00 0.00 O ATOM 1416 CB GLN A 93 6.961 10.503 9.446 1.00 0.00 C ATOM 1417 CG GLN A 93 5.908 11.449 10.001 1.00 0.00 C ATOM 1418 CD GLN A 93 6.010 12.844 9.416 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.276 13.811 10.129 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.799 12.955 8.109 1.00 0.00 N ATOM 0 H GLN A 93 4.808 9.503 8.744 1.00 0.00 H new ATOM 0 HA GLN A 93 7.293 8.418 9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.920 10.726 9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.076 10.687 8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.917 11.044 9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.011 11.505 11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.581 12.126 7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.855 13.869 7.659 1.00 0.00 H new ATOM 1429 N THR A 94 5.921 9.032 11.983 1.00 0.00 N ATOM 1430 CA THR A 94 6.021 8.737 13.407 1.00 0.00 C ATOM 1431 C THR A 94 6.012 7.234 13.659 1.00 0.00 C ATOM 1432 O THR A 94 6.688 6.743 14.563 1.00 0.00 O ATOM 1433 CB THR A 94 4.869 9.386 14.197 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.922 10.810 14.061 1.00 0.00 O ATOM 1435 CG2 THR A 94 4.943 9.009 15.669 1.00 0.00 C ATOM 0 H THR A 94 5.081 9.547 11.717 1.00 0.00 H new ATOM 0 HA THR A 94 6.968 9.154 13.751 1.00 0.00 H new ATOM 0 HB THR A 94 3.927 9.018 13.791 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.185 11.214 14.565 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.120 9.479 16.207 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.872 7.926 15.771 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.890 9.352 16.085 1.00 0.00 H new ATOM 1443 N TYR A 95 5.243 6.508 12.855 1.00 0.00 N ATOM 1444 CA TYR A 95 5.146 5.060 12.992 1.00 0.00 C ATOM 1445 C TYR A 95 6.328 4.368 12.321 1.00 0.00 C ATOM 1446 O TYR A 95 6.681 3.240 12.668 1.00 0.00 O ATOM 1447 CB TYR A 95 3.834 4.556 12.387 1.00 0.00 C ATOM 1448 CG TYR A 95 3.770 3.052 12.247 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.229 2.220 13.260 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.250 2.463 11.101 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.173 0.846 13.136 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.188 1.090 10.969 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.652 0.285 11.989 1.00 0.00 C ATOM 1454 OH TYR A 95 3.593 -1.084 11.862 1.00 0.00 O ATOM 0 H TYR A 95 4.678 6.899 12.101 1.00 0.00 H new ATOM 0 HA TYR A 95 5.164 4.819 14.055 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.004 4.890 13.010 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.698 5.010 11.405 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.637 2.655 14.160 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.888 3.090 10.300 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.535 0.214 13.933 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.779 0.649 10.072 1.00 0.00 H new ATOM 0 HH TYR A 95 2.667 -1.384 11.977 1.00 0.00 H new ATOM 1464 N LEU A 96 6.936 5.052 11.358 1.00 0.00 N ATOM 1465 CA LEU A 96 8.080 4.504 10.637 1.00 0.00 C ATOM 1466 C LEU A 96 9.384 4.825 11.360 1.00 0.00 C ATOM 1467 O LEU A 96 10.432 4.257 11.055 1.00 0.00 O ATOM 1468 CB LEU A 96 8.123 5.061 9.212 1.00 0.00 C ATOM 1469 CG LEU A 96 6.837 4.919 8.397 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.710 6.060 7.399 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.804 3.576 7.682 1.00 0.00 C ATOM 0 H LEU A 96 6.656 5.986 11.058 1.00 0.00 H new ATOM 0 HA LEU A 96 7.967 3.421 10.595 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.381 6.119 9.264 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.928 4.562 8.673 1.00 0.00 H new ATOM 0 HG LEU A 96 5.989 4.965 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.789 5.943 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.687 7.010 7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.563 6.046 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.882 3.492 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.659 3.501 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.848 2.772 8.416 1.00 0.00 H new ATOM 1483 N LYS A 97 9.311 5.739 12.322 1.00 0.00 N ATOM 1484 CA LYS A 97 10.484 6.134 13.092 1.00 0.00 C ATOM 1485 C LYS A 97 10.608 5.298 14.362 1.00 0.00 C ATOM 1486 O LYS A 97 11.713 4.983 14.805 1.00 0.00 O ATOM 1487 CB LYS A 97 10.407 7.620 13.453 1.00 0.00 C ATOM 1488 CG LYS A 97 9.702 7.890 14.771 1.00 0.00 C ATOM 1489 CD LYS A 97 10.676 7.873 15.937 1.00 0.00 C ATOM 1490 CE LYS A 97 9.976 8.183 17.252 1.00 0.00 C ATOM 1491 NZ LYS A 97 9.805 9.648 17.458 1.00 0.00 N ATOM 0 H LYS A 97 8.451 6.220 12.587 1.00 0.00 H new ATOM 0 HA LYS A 97 11.366 5.961 12.476 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.417 8.026 13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.887 8.152 12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.203 8.858 14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.928 7.140 14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.154 6.895 15.999 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.466 8.603 15.763 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.000 7.698 17.267 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.552 7.765 18.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.324 9.817 18.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.738 10.108 17.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.233 10.043 16.684 1.00 0.00 H new ATOM 1505 N THR A 98 9.467 4.940 14.943 1.00 0.00 N ATOM 1506 CA THR A 98 9.448 4.140 16.162 1.00 0.00 C ATOM 1507 C THR A 98 9.791 2.684 15.869 1.00 0.00 C ATOM 1508 O THR A 98 10.371 1.993 16.707 1.00 0.00 O ATOM 1509 CB THR A 98 8.073 4.203 16.853 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.185 3.751 18.207 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.055 3.351 16.111 1.00 0.00 C ATOM 0 H THR A 98 8.544 5.191 14.589 1.00 0.00 H new ATOM 0 HA THR A 98 10.201 4.561 16.829 1.00 0.00 H new ATOM 0 HB THR A 98 7.732 5.238 16.843 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.307 3.795 18.640 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.092 3.411 16.618 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.951 3.716 15.089 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.392 2.314 16.094 1.00 0.00 H new ATOM 1519 N CYS A 99 9.431 2.225 14.676 1.00 0.00 N ATOM 1520 CA CYS A 99 9.701 0.850 14.272 1.00 0.00 C ATOM 1521 C CYS A 99 10.953 0.773 13.404 1.00 0.00 C ATOM 1522 O CYS A 99 11.491 -0.308 13.164 1.00 0.00 O ATOM 1523 CB CYS A 99 8.504 0.274 13.514 1.00 0.00 C ATOM 1524 SG CYS A 99 8.321 -1.518 13.674 1.00 0.00 S ATOM 0 H CYS A 99 8.951 2.785 13.971 1.00 0.00 H new ATOM 0 HA CYS A 99 9.869 0.260 15.173 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.594 0.755 13.874 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.601 0.526 12.458 1.00 0.00 H new ATOM 0 HG CYS A 99 7.281 -1.910 13.000 1.00 0.00 H new ATOM 1530 N LYS A 100 11.411 1.928 12.933 1.00 0.00 N ATOM 1531 CA LYS A 100 12.599 1.994 12.091 1.00 0.00 C ATOM 1532 C LYS A 100 12.393 1.211 10.798 1.00 0.00 C ATOM 1533 O LYS A 100 13.335 0.634 10.254 1.00 0.00 O ATOM 1534 CB LYS A 100 13.814 1.447 12.843 1.00 0.00 C ATOM 1535 CG LYS A 100 13.983 2.033 14.234 1.00 0.00 C ATOM 1536 CD LYS A 100 13.174 1.265 15.265 1.00 0.00 C ATOM 1537 CE LYS A 100 13.780 1.389 16.655 1.00 0.00 C ATOM 1538 NZ LYS A 100 14.835 0.365 16.893 1.00 0.00 N ATOM 0 H LYS A 100 10.977 2.832 13.121 1.00 0.00 H new ATOM 0 HA LYS A 100 12.777 3.039 11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.724 0.364 12.923 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.713 1.650 12.261 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.037 2.016 14.511 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.671 3.077 14.230 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.151 1.640 15.278 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.125 0.214 14.981 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.206 2.385 16.778 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.995 1.283 17.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.223 0.483 17.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.423 -0.586 16.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.596 0.482 16.194 1.00 0.00 H new ATOM 1552 N ALA A 101 11.157 1.197 10.310 1.00 0.00 N ATOM 1553 CA ALA A 101 10.829 0.488 9.080 1.00 0.00 C ATOM 1554 C ALA A 101 10.819 1.437 7.886 1.00 0.00 C ATOM 1555 O ALA A 101 10.693 2.650 8.048 1.00 0.00 O ATOM 1556 CB ALA A 101 9.484 -0.209 9.214 1.00 0.00 C ATOM 0 H ALA A 101 10.366 1.669 10.748 1.00 0.00 H new ATOM 0 HA ALA A 101 11.599 -0.264 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.253 -0.734 8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.525 -0.924 10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.709 0.531 9.415 1.00 0.00 H new ATOM 1562 N GLN A 102 10.952 0.875 6.689 1.00 0.00 N ATOM 1563 CA GLN A 102 10.959 1.673 5.468 1.00 0.00 C ATOM 1564 C GLN A 102 9.660 1.490 4.691 1.00 0.00 C ATOM 1565 O GLN A 102 9.157 0.375 4.557 1.00 0.00 O ATOM 1566 CB GLN A 102 12.151 1.289 4.589 1.00 0.00 C ATOM 1567 CG GLN A 102 13.498 1.557 5.241 1.00 0.00 C ATOM 1568 CD GLN A 102 14.659 1.031 4.419 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.475 0.218 3.513 1.00 0.00 O ATOM 1570 NE2 GLN A 102 15.864 1.495 4.731 1.00 0.00 N ATOM 0 H GLN A 102 11.056 -0.128 6.538 1.00 0.00 H new ATOM 0 HA GLN A 102 11.048 2.722 5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.082 0.230 4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.094 1.842 3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.619 2.630 5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.518 1.095 6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.971 2.168 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.683 1.178 4.212 1.00 0.00 H new ATOM 1579 N ALA A 103 9.122 2.593 4.180 1.00 0.00 N ATOM 1580 CA ALA A 103 7.882 2.554 3.415 1.00 0.00 C ATOM 1581 C ALA A 103 8.098 1.906 2.051 1.00 0.00 C ATOM 1582 O ALA A 103 9.167 2.034 1.456 1.00 0.00 O ATOM 1583 CB ALA A 103 7.318 3.958 3.251 1.00 0.00 C ATOM 0 H ALA A 103 9.526 3.524 4.282 1.00 0.00 H new ATOM 0 HA ALA A 103 7.163 1.948 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.392 3.913 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.117 4.386 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.041 4.581 2.725 1.00 0.00 H new ATOM 1589 N ALA A 104 7.077 1.210 1.564 1.00 0.00 N ATOM 1590 CA ALA A 104 7.156 0.543 0.270 1.00 0.00 C ATOM 1591 C ALA A 104 7.435 1.543 -0.847 1.00 0.00 C ATOM 1592 O ALA A 104 6.954 2.676 -0.833 1.00 0.00 O ATOM 1593 CB ALA A 104 5.868 -0.219 -0.011 1.00 0.00 C ATOM 0 H ALA A 104 6.185 1.093 2.045 1.00 0.00 H new ATOM 0 HA ALA A 104 7.984 -0.165 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.941 -0.712 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.711 -0.967 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.029 0.476 -0.020 1.00 0.00 H new ATOM 1599 N PRO A 105 8.231 1.117 -1.839 1.00 0.00 N ATOM 1600 CA PRO A 105 8.592 1.960 -2.982 1.00 0.00 C ATOM 1601 C PRO A 105 7.410 2.216 -3.910 1.00 0.00 C ATOM 1602 O PRO A 105 6.459 1.435 -3.952 1.00 0.00 O ATOM 1603 CB PRO A 105 9.668 1.142 -3.700 1.00 0.00 C ATOM 1604 CG PRO A 105 9.387 -0.271 -3.320 1.00 0.00 C ATOM 1605 CD PRO A 105 8.840 -0.222 -1.921 1.00 0.00 C ATOM 0 HA PRO A 105 8.927 2.949 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.615 1.279 -4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.668 1.444 -3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.669 -0.724 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.294 -0.875 -3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.105 -1.009 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.626 -0.352 -1.177 1.00 0.00 H new ATOM 1613 N LYS A 106 7.474 3.316 -4.654 1.00 0.00 N ATOM 1614 CA LYS A 106 6.410 3.675 -5.583 1.00 0.00 C ATOM 1615 C LYS A 106 6.486 2.829 -6.850 1.00 0.00 C ATOM 1616 O LYS A 106 5.466 2.538 -7.475 1.00 0.00 O ATOM 1617 CB LYS A 106 6.498 5.160 -5.942 1.00 0.00 C ATOM 1618 CG LYS A 106 7.789 5.540 -6.646 1.00 0.00 C ATOM 1619 CD LYS A 106 7.764 6.984 -7.117 1.00 0.00 C ATOM 1620 CE LYS A 106 8.631 7.184 -8.350 1.00 0.00 C ATOM 1621 NZ LYS A 106 8.528 8.571 -8.882 1.00 0.00 N ATOM 0 H LYS A 106 8.253 3.974 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 106 5.455 3.482 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.655 5.421 -6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.403 5.752 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.631 5.392 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.946 4.881 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 106 6.738 7.277 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.114 7.635 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.670 6.966 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.332 6.476 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.134 8.666 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.541 8.771 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.837 9.246 -8.154 1.00 0.00 H new ATOM 1635 N SER A 107 7.700 2.437 -7.223 1.00 0.00 N ATOM 1636 CA SER A 107 7.908 1.627 -8.417 1.00 0.00 C ATOM 1637 C SER A 107 6.937 0.451 -8.452 1.00 0.00 C ATOM 1638 O SER A 107 6.393 0.110 -9.503 1.00 0.00 O ATOM 1639 CB SER A 107 9.349 1.115 -8.467 1.00 0.00 C ATOM 1640 OG SER A 107 9.611 0.447 -9.689 1.00 0.00 O ATOM 0 H SER A 107 8.554 2.667 -6.715 1.00 0.00 H new ATOM 0 HA SER A 107 7.722 2.255 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.039 1.950 -8.350 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.526 0.436 -7.633 1.00 0.00 H new ATOM 0 HG SER A 107 10.539 0.131 -9.697 1.00 0.00 H new ATOM 1646 N LEU A 108 6.725 -0.167 -7.295 1.00 0.00 N ATOM 1647 CA LEU A 108 5.819 -1.306 -7.191 1.00 0.00 C ATOM 1648 C LEU A 108 4.467 -0.986 -7.821 1.00 0.00 C ATOM 1649 O LEU A 108 3.812 -1.861 -8.388 1.00 0.00 O ATOM 1650 CB LEU A 108 5.630 -1.700 -5.725 1.00 0.00 C ATOM 1651 CG LEU A 108 6.755 -2.528 -5.102 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.617 -2.563 -3.588 1.00 0.00 C ATOM 1653 CD2 LEU A 108 6.757 -3.939 -5.672 1.00 0.00 C ATOM 0 H LEU A 108 7.168 0.101 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 108 6.263 -2.142 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.508 -0.790 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.701 -2.263 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 108 7.706 -2.057 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.426 -3.157 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.666 -1.548 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.660 -3.010 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.564 -4.514 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.803 -4.420 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.906 -3.895 -6.751 1.00 0.00 H new ATOM 1665 N PHE A 109 4.056 0.273 -7.721 1.00 0.00 N ATOM 1666 CA PHE A 109 2.783 0.709 -8.282 1.00 0.00 C ATOM 1667 C PHE A 109 2.993 1.430 -9.611 1.00 0.00 C ATOM 1668 O PHE A 109 2.516 2.547 -9.804 1.00 0.00 O ATOM 1669 CB PHE A 109 2.056 1.630 -7.299 1.00 0.00 C ATOM 1670 CG PHE A 109 2.127 1.160 -5.874 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.255 1.403 -5.106 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.067 0.476 -5.303 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.322 0.971 -3.795 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.129 0.042 -3.992 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.258 0.291 -3.237 1.00 0.00 C ATOM 0 H PHE A 109 4.586 1.010 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 109 2.171 -0.175 -8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.485 2.630 -7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.010 1.711 -7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.090 1.935 -5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.181 0.279 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.207 1.165 -3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.296 -0.491 -3.559 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.309 -0.046 -2.212 1.00 0.00 H new ATOM 1685 N GLU A 110 3.711 0.781 -10.522 1.00 0.00 N ATOM 1686 CA GLU A 110 3.985 1.360 -11.832 1.00 0.00 C ATOM 1687 C GLU A 110 2.969 0.878 -12.864 1.00 0.00 C ATOM 1688 O GLU A 110 3.319 0.587 -14.006 1.00 0.00 O ATOM 1689 CB GLU A 110 5.400 1.000 -12.287 1.00 0.00 C ATOM 1690 CG GLU A 110 6.456 1.997 -11.840 1.00 0.00 C ATOM 1691 CD GLU A 110 6.660 3.119 -12.839 1.00 0.00 C ATOM 1692 OE1 GLU A 110 7.160 2.841 -13.949 1.00 0.00 O ATOM 1693 OE2 GLU A 110 6.319 4.275 -12.512 1.00 0.00 O ATOM 0 H GLU A 110 4.113 -0.145 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 110 3.903 2.444 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.657 0.014 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.416 0.930 -13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.166 2.420 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.401 1.476 -11.687 1.00 0.00 H new ATOM 1700 N ASN A 111 1.708 0.797 -12.451 1.00 0.00 N ATOM 1701 CA ASN A 111 0.641 0.350 -13.338 1.00 0.00 C ATOM 1702 C ASN A 111 -0.415 1.437 -13.510 1.00 0.00 C ATOM 1703 O ASN A 111 -0.894 1.680 -14.618 1.00 0.00 O ATOM 1704 CB ASN A 111 -0.007 -0.923 -12.789 1.00 0.00 C ATOM 1705 CG ASN A 111 -0.522 -1.831 -13.889 1.00 0.00 C ATOM 1706 OD1 ASN A 111 -1.710 -2.149 -13.942 1.00 0.00 O ATOM 1707 ND2 ASN A 111 0.373 -2.253 -14.775 1.00 0.00 N ATOM 0 H ASN A 111 1.401 1.035 -11.508 1.00 0.00 H new ATOM 0 HA ASN A 111 1.079 0.136 -14.313 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.720 -1.466 -12.184 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.832 -0.652 -12.129 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.086 -2.866 -15.538 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.348 -1.964 -14.692 1.00 0.00 H new