USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=25 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 Single : A 12 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 175:sc= -0.856 (180deg=-0.924) USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= -3.27! (180deg=-7.67!) USER MOD Single : A 27 HIS : no HD1:sc= -3.05! C(o=-3.1!,f=-3.1!) USER MOD Single : A 28 GLN : amide:sc= -0.265 X(o=-0.27,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 50:sc= -0.254 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0785 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.762 USER MOD Single : A 45 LYS NZ :NH3+ 135:sc= -1.68 (180deg=-3.8!) USER MOD Single : A 47 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.19) 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 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 67 HIS : no HD1:sc= -0.583 X(o=-0.58,f=-0.62) USER MOD Single : A 72 CYS SG : rot 110:sc= -6.37! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -154:sc= 0.0271 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.447 F(o=-1.8!,f=-0.45) USER MOD Single : A 78 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.415) USER MOD Single : A 80 HIS : no HD1:sc= -0.622 X(o=-0.62,f=-0.85) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (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 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 95 TYR OH : rot 129:sc= 1.26 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 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -161:sc= 0.0334 (180deg=0.00307) USER MOD Single : A 107 SER OG : rot 180:sc= -0.21 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0104 F(o=-0.53,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 7.249 -10.334 -6.824 1.00 0.00 N ATOM 138 CA ASN A 12 7.160 -9.377 -7.921 1.00 0.00 C ATOM 139 C ASN A 12 7.594 -7.986 -7.466 1.00 0.00 C ATOM 140 O ASN A 12 7.114 -6.976 -7.978 1.00 0.00 O ATOM 141 CB ASN A 12 5.731 -9.324 -8.464 1.00 0.00 C ATOM 142 CG ASN A 12 5.625 -8.506 -9.736 1.00 0.00 C ATOM 143 OD1 ASN A 12 6.589 -7.865 -10.157 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.451 -8.523 -10.355 1.00 0.00 N ATOM 0 HA ASN A 12 7.831 -9.707 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.381 -10.338 -8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.073 -8.899 -7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.320 -7.991 -11.215 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.680 -9.068 -9.970 1.00 0.00 H new ATOM 151 N GLY A 13 8.507 -7.944 -6.500 1.00 0.00 N ATOM 152 CA GLY A 13 8.992 -6.673 -5.993 1.00 0.00 C ATOM 153 C GLY A 13 8.642 -6.461 -4.533 1.00 0.00 C ATOM 154 O GLY A 13 9.415 -5.865 -3.782 1.00 0.00 O ATOM 0 H GLY A 13 8.919 -8.767 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.074 -6.626 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.569 -5.863 -6.587 1.00 0.00 H new ATOM 158 N PHE A 14 7.473 -6.947 -4.130 1.00 0.00 N ATOM 159 CA PHE A 14 7.021 -6.805 -2.751 1.00 0.00 C ATOM 160 C PHE A 14 7.892 -7.626 -1.805 1.00 0.00 C ATOM 161 O PHE A 14 8.303 -8.741 -2.130 1.00 0.00 O ATOM 162 CB PHE A 14 5.560 -7.240 -2.623 1.00 0.00 C ATOM 163 CG PHE A 14 4.579 -6.167 -3.001 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.465 -5.015 -2.240 1.00 0.00 C ATOM 165 CD2 PHE A 14 3.773 -6.309 -4.119 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.563 -4.026 -2.585 1.00 0.00 C ATOM 167 CE2 PHE A 14 2.869 -5.324 -4.470 1.00 0.00 C ATOM 168 CZ PHE A 14 2.765 -4.180 -3.702 1.00 0.00 C ATOM 0 H PHE A 14 6.821 -7.443 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 14 7.106 -5.754 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.393 -8.113 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.370 -7.549 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.088 -4.888 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.852 -7.200 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.482 -3.134 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.245 -5.448 -5.343 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.061 -3.408 -3.975 1.00 0.00 H new ATOM 178 N LYS A 15 8.172 -7.068 -0.632 1.00 0.00 N ATOM 179 CA LYS A 15 8.993 -7.747 0.363 1.00 0.00 C ATOM 180 C LYS A 15 8.393 -7.600 1.757 1.00 0.00 C ATOM 181 O LYS A 15 7.806 -6.568 2.085 1.00 0.00 O ATOM 182 CB LYS A 15 10.417 -7.185 0.347 1.00 0.00 C ATOM 183 CG LYS A 15 11.075 -7.232 -1.021 1.00 0.00 C ATOM 184 CD LYS A 15 11.801 -8.548 -1.246 1.00 0.00 C ATOM 185 CE LYS A 15 13.075 -8.630 -0.419 1.00 0.00 C ATOM 186 NZ LYS A 15 13.415 -10.035 -0.061 1.00 0.00 N ATOM 0 H LYS A 15 7.842 -6.146 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 15 9.023 -8.807 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.395 -6.152 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.028 -7.746 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.319 -7.096 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.780 -6.406 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.143 -9.377 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.045 -8.654 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.900 -8.188 -0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.956 -8.042 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.289 -10.048 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.639 -10.449 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.554 -10.590 -0.929 1.00 0.00 H new ATOM 200 N VAL A 16 8.543 -8.637 2.574 1.00 0.00 N ATOM 201 CA VAL A 16 8.018 -8.622 3.934 1.00 0.00 C ATOM 202 C VAL A 16 8.596 -7.459 4.734 1.00 0.00 C ATOM 203 O VAL A 16 9.806 -7.241 4.745 1.00 0.00 O ATOM 204 CB VAL A 16 8.326 -9.940 4.670 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.811 -9.886 6.100 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.724 -11.120 3.921 1.00 0.00 C ATOM 0 H VAL A 16 9.024 -9.499 2.318 1.00 0.00 H new ATOM 0 HA VAL A 16 6.937 -8.503 3.854 1.00 0.00 H new ATOM 0 HB VAL A 16 9.407 -10.074 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.038 -10.826 6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.293 -9.064 6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.732 -9.729 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.951 -12.043 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.643 -10.996 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.146 -11.168 2.917 1.00 0.00 H new ATOM 216 N GLY A 17 7.720 -6.715 5.403 1.00 0.00 N ATOM 217 CA GLY A 17 8.162 -5.584 6.197 1.00 0.00 C ATOM 218 C GLY A 17 7.733 -4.256 5.603 1.00 0.00 C ATOM 219 O GLY A 17 7.312 -3.353 6.326 1.00 0.00 O ATOM 0 H GLY A 17 6.713 -6.876 5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.761 -5.674 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.248 -5.606 6.283 1.00 0.00 H new ATOM 223 N MET A 18 7.842 -4.137 4.284 1.00 0.00 N ATOM 224 CA MET A 18 7.462 -2.909 3.595 1.00 0.00 C ATOM 225 C MET A 18 5.983 -2.602 3.806 1.00 0.00 C ATOM 226 O MET A 18 5.113 -3.329 3.328 1.00 0.00 O ATOM 227 CB MET A 18 7.762 -3.025 2.099 1.00 0.00 C ATOM 228 CG MET A 18 9.245 -3.138 1.783 1.00 0.00 C ATOM 229 SD MET A 18 9.661 -2.481 0.157 1.00 0.00 S ATOM 230 CE MET A 18 9.196 -3.856 -0.893 1.00 0.00 C ATOM 0 H MET A 18 8.190 -4.875 3.671 1.00 0.00 H new ATOM 0 HA MET A 18 8.048 -2.091 4.014 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.246 -3.899 1.700 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.355 -2.153 1.587 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.816 -2.605 2.543 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.545 -4.185 1.835 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.311 -3.570 -1.939 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.837 -4.711 -0.678 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.157 -4.124 -0.702 1.00 0.00 H new ATOM 240 N LYS A 19 5.705 -1.521 4.527 1.00 0.00 N ATOM 241 CA LYS A 19 4.332 -1.116 4.801 1.00 0.00 C ATOM 242 C LYS A 19 3.689 -0.498 3.564 1.00 0.00 C ATOM 243 O LYS A 19 4.367 0.120 2.742 1.00 0.00 O ATOM 244 CB LYS A 19 4.295 -0.118 5.961 1.00 0.00 C ATOM 245 CG LYS A 19 4.346 -0.774 7.330 1.00 0.00 C ATOM 246 CD LYS A 19 4.702 0.229 8.415 1.00 0.00 C ATOM 247 CE LYS A 19 6.206 0.312 8.626 1.00 0.00 C ATOM 248 NZ LYS A 19 6.695 -0.744 9.556 1.00 0.00 N ATOM 0 H LYS A 19 6.413 -0.909 4.932 1.00 0.00 H new ATOM 0 HA LYS A 19 3.766 -2.006 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.136 0.569 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.386 0.479 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.380 -1.226 7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.081 -1.579 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.317 1.212 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.218 -0.056 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.713 0.214 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.463 1.294 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.383 -0.332 10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.893 -1.135 10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.151 -1.503 9.011 1.00 0.00 H new ATOM 262 N LEU A 20 2.377 -0.667 3.438 1.00 0.00 N ATOM 263 CA LEU A 20 1.642 -0.124 2.301 1.00 0.00 C ATOM 264 C LEU A 20 0.152 -0.027 2.612 1.00 0.00 C ATOM 265 O LEU A 20 -0.331 -0.627 3.571 1.00 0.00 O ATOM 266 CB LEU A 20 1.861 -0.996 1.063 1.00 0.00 C ATOM 267 CG LEU A 20 1.084 -2.312 1.023 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.782 -2.710 -0.413 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.861 -3.412 1.732 1.00 0.00 C ATOM 0 H LEU A 20 1.801 -1.175 4.109 1.00 0.00 H new ATOM 0 HA LEU A 20 2.019 0.879 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.595 -0.413 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.924 -1.223 0.986 1.00 0.00 H new ATOM 0 HG LEU A 20 0.138 -2.169 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.229 -3.649 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.184 -1.932 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.716 -2.835 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.293 -4.341 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.823 -3.554 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.025 -3.129 2.772 1.00 0.00 H new ATOM 281 N GLU A 21 -0.571 0.730 1.792 1.00 0.00 N ATOM 282 CA GLU A 21 -2.006 0.903 1.980 1.00 0.00 C ATOM 283 C GLU A 21 -2.791 0.105 0.942 1.00 0.00 C ATOM 284 O GLU A 21 -2.228 -0.382 -0.038 1.00 0.00 O ATOM 285 CB GLU A 21 -2.380 2.384 1.890 1.00 0.00 C ATOM 286 CG GLU A 21 -1.638 3.260 2.884 1.00 0.00 C ATOM 287 CD GLU A 21 -1.742 4.736 2.552 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.894 5.233 1.782 1.00 0.00 O ATOM 289 OE2 GLU A 21 -2.673 5.395 3.062 1.00 0.00 O ATOM 0 H GLU A 21 -0.186 1.233 0.992 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.264 0.530 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.176 2.741 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.452 2.490 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.037 3.087 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.588 2.969 2.905 1.00 0.00 H new ATOM 296 N GLY A 22 -4.095 -0.025 1.166 1.00 0.00 N ATOM 297 CA GLY A 22 -4.936 -0.765 0.243 1.00 0.00 C ATOM 298 C GLY A 22 -6.379 -0.835 0.703 1.00 0.00 C ATOM 299 O GLY A 22 -6.720 -0.346 1.780 1.00 0.00 O ATOM 0 H GLY A 22 -4.584 0.369 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.893 -0.295 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.544 -1.776 0.130 1.00 0.00 H new ATOM 303 N VAL A 23 -7.231 -1.443 -0.117 1.00 0.00 N ATOM 304 CA VAL A 23 -8.645 -1.575 0.210 1.00 0.00 C ATOM 305 C VAL A 23 -8.946 -2.944 0.809 1.00 0.00 C ATOM 306 O VAL A 23 -8.408 -3.959 0.364 1.00 0.00 O ATOM 307 CB VAL A 23 -9.531 -1.364 -1.032 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.929 -1.911 -0.790 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.584 0.110 -1.404 1.00 0.00 C ATOM 0 H VAL A 23 -6.966 -1.852 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.873 -0.803 0.945 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.092 -1.911 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.540 -1.753 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.870 -2.978 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.380 -1.395 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.214 0.241 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.998 0.680 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.577 0.466 -1.623 1.00 0.00 H new ATOM 319 N ASP A 24 -9.808 -2.966 1.819 1.00 0.00 N ATOM 320 CA ASP A 24 -10.182 -4.212 2.478 1.00 0.00 C ATOM 321 C ASP A 24 -11.250 -4.951 1.678 1.00 0.00 C ATOM 322 O ASP A 24 -12.200 -4.357 1.168 1.00 0.00 O ATOM 323 CB ASP A 24 -10.690 -3.932 3.893 1.00 0.00 C ATOM 324 CG ASP A 24 -12.150 -3.523 3.915 1.00 0.00 C ATOM 325 OD1 ASP A 24 -12.437 -2.339 3.644 1.00 0.00 O ATOM 326 OD2 ASP A 24 -13.004 -4.388 4.203 1.00 0.00 O ATOM 0 H ASP A 24 -10.261 -2.135 2.200 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.296 -4.844 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.556 -4.823 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.088 -3.142 4.342 1.00 0.00 H new ATOM 331 N PRO A 25 -11.092 -6.278 1.563 1.00 0.00 N ATOM 332 CA PRO A 25 -12.033 -7.126 0.826 1.00 0.00 C ATOM 333 C PRO A 25 -13.379 -7.249 1.531 1.00 0.00 C ATOM 334 O PRO A 25 -14.271 -7.956 1.065 1.00 0.00 O ATOM 335 CB PRO A 25 -11.326 -8.483 0.781 1.00 0.00 C ATOM 336 CG PRO A 25 -10.422 -8.479 1.965 1.00 0.00 C ATOM 337 CD PRO A 25 -9.983 -7.052 2.145 1.00 0.00 C ATOM 0 HA PRO A 25 -12.265 -6.718 -0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.041 -9.304 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.765 -8.606 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.940 -8.843 2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.565 -9.134 1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.831 -6.808 3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.042 -6.853 1.632 1.00 0.00 H new ATOM 345 N GLU A 26 -13.517 -6.556 2.657 1.00 0.00 N ATOM 346 CA GLU A 26 -14.755 -6.589 3.427 1.00 0.00 C ATOM 347 C GLU A 26 -15.514 -5.272 3.292 1.00 0.00 C ATOM 348 O GLU A 26 -16.647 -5.145 3.759 1.00 0.00 O ATOM 349 CB GLU A 26 -14.458 -6.871 4.901 1.00 0.00 C ATOM 350 CG GLU A 26 -13.937 -8.274 5.159 1.00 0.00 C ATOM 351 CD GLU A 26 -14.098 -8.700 6.606 1.00 0.00 C ATOM 352 OE1 GLU A 26 -15.250 -8.932 7.030 1.00 0.00 O ATOM 353 OE2 GLU A 26 -13.074 -8.799 7.313 1.00 0.00 O ATOM 0 H GLU A 26 -12.787 -5.965 3.056 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.379 -7.390 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.725 -6.149 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.367 -6.718 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.466 -8.978 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.883 -8.322 4.885 1.00 0.00 H new ATOM 360 N HIS A 27 -14.882 -4.294 2.652 1.00 0.00 N ATOM 361 CA HIS A 27 -15.497 -2.986 2.455 1.00 0.00 C ATOM 362 C HIS A 27 -14.735 -2.179 1.409 1.00 0.00 C ATOM 363 O HIS A 27 -13.635 -1.691 1.668 1.00 0.00 O ATOM 364 CB HIS A 27 -15.543 -2.217 3.776 1.00 0.00 C ATOM 365 CG HIS A 27 -16.562 -2.742 4.740 1.00 0.00 C ATOM 366 ND1 HIS A 27 -16.228 -3.344 5.934 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.914 -2.750 4.681 1.00 0.00 C ATOM 368 CE1 HIS A 27 -17.330 -3.702 6.568 1.00 0.00 C ATOM 369 NE2 HIS A 27 -18.368 -3.353 5.829 1.00 0.00 N ATOM 0 H HIS A 27 -13.944 -4.382 2.261 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.515 -3.141 2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.559 -2.255 4.244 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.757 -1.168 3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.523 -2.356 3.881 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -17.375 -4.196 7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.347 -3.506 6.071 1.00 0.00 H new ATOM 378 N GLN A 28 -15.327 -2.043 0.227 1.00 0.00 N ATOM 379 CA GLN A 28 -14.702 -1.296 -0.859 1.00 0.00 C ATOM 380 C GLN A 28 -14.612 0.188 -0.517 1.00 0.00 C ATOM 381 O GLN A 28 -15.434 0.713 0.234 1.00 0.00 O ATOM 382 CB GLN A 28 -15.490 -1.486 -2.156 1.00 0.00 C ATOM 383 CG GLN A 28 -15.359 -2.879 -2.749 1.00 0.00 C ATOM 384 CD GLN A 28 -14.188 -3.000 -3.704 1.00 0.00 C ATOM 385 OE1 GLN A 28 -14.349 -2.884 -4.919 1.00 0.00 O ATOM 386 NE2 GLN A 28 -13.001 -3.234 -3.158 1.00 0.00 N ATOM 0 H GLN A 28 -16.238 -2.440 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.691 -1.680 -0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.543 -1.279 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.149 -0.755 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.242 -3.603 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.279 -3.134 -3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.914 -3.323 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.176 -3.325 -3.751 1.00 0.00 H new ATOM 395 N SER A 29 -13.608 0.858 -1.073 1.00 0.00 N ATOM 396 CA SER A 29 -13.407 2.281 -0.824 1.00 0.00 C ATOM 397 C SER A 29 -12.939 2.521 0.608 1.00 0.00 C ATOM 398 O SER A 29 -13.309 3.513 1.237 1.00 0.00 O ATOM 399 CB SER A 29 -14.702 3.053 -1.085 1.00 0.00 C ATOM 400 OG SER A 29 -14.429 4.370 -1.531 1.00 0.00 O ATOM 0 H SER A 29 -12.921 0.438 -1.699 1.00 0.00 H new ATOM 0 HA SER A 29 -12.635 2.639 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.297 2.529 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.297 3.091 -0.172 1.00 0.00 H new ATOM 0 HG SER A 29 -15.272 4.842 -1.692 1.00 0.00 H new ATOM 406 N VAL A 30 -12.122 1.604 1.118 1.00 0.00 N ATOM 407 CA VAL A 30 -11.601 1.715 2.476 1.00 0.00 C ATOM 408 C VAL A 30 -10.085 1.550 2.498 1.00 0.00 C ATOM 409 O VAL A 30 -9.574 0.435 2.602 1.00 0.00 O ATOM 410 CB VAL A 30 -12.235 0.666 3.408 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.442 0.551 4.701 1.00 0.00 C ATOM 412 CG2 VAL A 30 -13.688 1.014 3.693 1.00 0.00 C ATOM 0 H VAL A 30 -11.807 0.777 0.612 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.860 2.711 2.834 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.209 -0.302 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.905 -0.195 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.419 0.250 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.433 1.515 5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.120 0.262 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.741 1.991 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.246 1.039 2.757 1.00 0.00 H new ATOM 422 N TYR A 31 -9.373 2.667 2.400 1.00 0.00 N ATOM 423 CA TYR A 31 -7.915 2.646 2.407 1.00 0.00 C ATOM 424 C TYR A 31 -7.378 2.520 3.829 1.00 0.00 C ATOM 425 O TYR A 31 -7.372 3.489 4.590 1.00 0.00 O ATOM 426 CB TYR A 31 -7.363 3.913 1.752 1.00 0.00 C ATOM 427 CG TYR A 31 -7.898 4.157 0.359 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.884 3.150 -0.599 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.418 5.395 0.000 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.372 3.369 -1.872 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.909 5.622 -1.271 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.883 4.607 -2.204 1.00 0.00 C ATOM 433 OH TYR A 31 -9.371 4.828 -3.471 1.00 0.00 O ATOM 0 H TYR A 31 -9.781 3.598 2.315 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.587 1.777 1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.604 4.771 2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.276 3.845 1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.485 2.180 -0.343 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.439 6.193 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.354 2.575 -2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.311 6.590 -1.533 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.695 5.750 -3.541 1.00 0.00 H new ATOM 443 N CYS A 32 -6.929 1.321 4.181 1.00 0.00 N ATOM 444 CA CYS A 32 -6.390 1.066 5.512 1.00 0.00 C ATOM 445 C CYS A 32 -4.906 0.719 5.441 1.00 0.00 C ATOM 446 O CYS A 32 -4.437 0.152 4.455 1.00 0.00 O ATOM 447 CB CYS A 32 -7.160 -0.069 6.189 1.00 0.00 C ATOM 448 SG CYS A 32 -6.586 -0.458 7.859 1.00 0.00 S ATOM 0 H CYS A 32 -6.927 0.509 3.563 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.504 1.975 6.103 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.216 0.198 6.232 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.083 -0.964 5.572 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.510 0.636 8.557 1.00 0.00 H new ATOM 454 N VAL A 33 -4.172 1.066 6.494 1.00 0.00 N ATOM 455 CA VAL A 33 -2.741 0.792 6.551 1.00 0.00 C ATOM 456 C VAL A 33 -2.472 -0.703 6.678 1.00 0.00 C ATOM 457 O VAL A 33 -2.797 -1.319 7.694 1.00 0.00 O ATOM 458 CB VAL A 33 -2.076 1.525 7.731 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.887 1.334 9.004 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.647 1.039 7.922 1.00 0.00 C ATOM 0 H VAL A 33 -4.545 1.537 7.318 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.311 1.157 5.618 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.046 2.591 7.504 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.402 1.859 9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.890 1.734 8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.951 0.272 9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.192 1.567 8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.651 -0.032 8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.073 1.233 7.016 1.00 0.00 H new ATOM 470 N LEU A 34 -1.877 -1.282 5.642 1.00 0.00 N ATOM 471 CA LEU A 34 -1.563 -2.707 5.637 1.00 0.00 C ATOM 472 C LEU A 34 -0.055 -2.932 5.611 1.00 0.00 C ATOM 473 O LEU A 34 0.718 -2.010 5.350 1.00 0.00 O ATOM 474 CB LEU A 34 -2.213 -3.389 4.432 1.00 0.00 C ATOM 475 CG LEU A 34 -3.710 -3.137 4.245 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.083 -3.204 2.772 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.524 -4.140 5.049 1.00 0.00 C ATOM 0 H LEU A 34 -1.602 -0.787 4.794 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.961 -3.145 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.694 -3.061 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.054 -4.464 4.519 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.939 -2.136 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.152 -3.022 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.526 -2.447 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.839 -4.191 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.587 -3.946 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.291 -5.150 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.278 -4.043 6.107 1.00 0.00 H new ATOM 489 N THR A 35 0.359 -4.167 5.881 1.00 0.00 N ATOM 490 CA THR A 35 1.774 -4.514 5.887 1.00 0.00 C ATOM 491 C THR A 35 2.008 -5.881 5.253 1.00 0.00 C ATOM 492 O THR A 35 1.279 -6.835 5.524 1.00 0.00 O ATOM 493 CB THR A 35 2.344 -4.521 7.318 1.00 0.00 C ATOM 494 OG1 THR A 35 2.053 -3.279 7.968 1.00 0.00 O ATOM 495 CG2 THR A 35 3.848 -4.749 7.300 1.00 0.00 C ATOM 0 H THR A 35 -0.266 -4.943 6.098 1.00 0.00 H new ATOM 0 HA THR A 35 2.289 -3.752 5.302 1.00 0.00 H new ATOM 0 HB THR A 35 1.875 -5.337 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.418 -3.293 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.228 -4.750 8.322 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.065 -5.709 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.330 -3.952 6.734 1.00 0.00 H new ATOM 503 N VAL A 36 3.029 -5.968 4.407 1.00 0.00 N ATOM 504 CA VAL A 36 3.360 -7.219 3.735 1.00 0.00 C ATOM 505 C VAL A 36 3.855 -8.263 4.730 1.00 0.00 C ATOM 506 O VAL A 36 4.919 -8.110 5.328 1.00 0.00 O ATOM 507 CB VAL A 36 4.435 -7.008 2.652 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.723 -8.311 1.923 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.001 -5.925 1.676 1.00 0.00 C ATOM 0 H VAL A 36 3.641 -5.187 4.171 1.00 0.00 H new ATOM 0 HA VAL A 36 2.445 -7.576 3.263 1.00 0.00 H new ATOM 0 HB VAL A 36 5.355 -6.681 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.485 -8.141 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.081 -9.055 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.810 -8.672 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.772 -5.789 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.068 -6.220 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.852 -4.989 2.214 1.00 0.00 H new ATOM 519 N ALA A 37 3.075 -9.326 4.901 1.00 0.00 N ATOM 520 CA ALA A 37 3.434 -10.397 5.822 1.00 0.00 C ATOM 521 C ALA A 37 4.177 -11.515 5.099 1.00 0.00 C ATOM 522 O ALA A 37 5.111 -12.104 5.642 1.00 0.00 O ATOM 523 CB ALA A 37 2.191 -10.943 6.507 1.00 0.00 C ATOM 0 H ALA A 37 2.190 -9.468 4.413 1.00 0.00 H new ATOM 0 HA ALA A 37 4.100 -9.984 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.474 -11.742 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.702 -10.144 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.504 -11.335 5.757 1.00 0.00 H new ATOM 529 N GLU A 38 3.754 -11.804 3.872 1.00 0.00 N ATOM 530 CA GLU A 38 4.380 -12.853 3.076 1.00 0.00 C ATOM 531 C GLU A 38 4.208 -12.581 1.584 1.00 0.00 C ATOM 532 O GLU A 38 3.268 -11.902 1.170 1.00 0.00 O ATOM 533 CB GLU A 38 3.781 -14.217 3.429 1.00 0.00 C ATOM 534 CG GLU A 38 4.584 -15.391 2.895 1.00 0.00 C ATOM 535 CD GLU A 38 3.809 -16.693 2.933 1.00 0.00 C ATOM 536 OE1 GLU A 38 3.198 -16.989 3.981 1.00 0.00 O ATOM 537 OE2 GLU A 38 3.813 -17.417 1.915 1.00 0.00 O ATOM 0 H GLU A 38 2.981 -11.327 3.408 1.00 0.00 H new ATOM 0 HA GLU A 38 5.446 -12.861 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.706 -14.302 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.766 -14.272 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.887 -15.183 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.497 -15.499 3.481 1.00 0.00 H new ATOM 544 N VAL A 39 5.124 -13.115 0.782 1.00 0.00 N ATOM 545 CA VAL A 39 5.074 -12.930 -0.664 1.00 0.00 C ATOM 546 C VAL A 39 5.283 -14.252 -1.394 1.00 0.00 C ATOM 547 O VAL A 39 6.297 -14.924 -1.204 1.00 0.00 O ATOM 548 CB VAL A 39 6.137 -11.921 -1.137 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.049 -11.719 -2.642 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.980 -10.598 -0.403 1.00 0.00 C ATOM 0 H VAL A 39 5.909 -13.679 1.109 1.00 0.00 H new ATOM 0 HA VAL A 39 4.084 -12.541 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 39 7.123 -12.323 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.808 -11.003 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.215 -12.670 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.061 -11.339 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.739 -9.897 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.990 -10.187 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.098 -10.760 0.668 1.00 0.00 H new ATOM 560 N CYS A 40 4.317 -14.619 -2.229 1.00 0.00 N ATOM 561 CA CYS A 40 4.394 -15.862 -2.988 1.00 0.00 C ATOM 562 C CYS A 40 3.627 -15.745 -4.301 1.00 0.00 C ATOM 563 O CYS A 40 2.656 -14.996 -4.400 1.00 0.00 O ATOM 564 CB CYS A 40 3.842 -17.024 -2.162 1.00 0.00 C ATOM 565 SG CYS A 40 4.459 -18.647 -2.666 1.00 0.00 S ATOM 0 H CYS A 40 3.472 -14.074 -2.397 1.00 0.00 H new ATOM 0 HA CYS A 40 5.442 -16.055 -3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.092 -16.862 -1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.754 -17.022 -2.234 1.00 0.00 H new ATOM 0 HG CYS A 40 3.937 -19.564 -1.907 1.00 0.00 H new ATOM 571 N GLY A 41 4.071 -16.491 -5.309 1.00 0.00 N ATOM 572 CA GLY A 41 3.415 -16.456 -6.603 1.00 0.00 C ATOM 573 C GLY A 41 3.173 -15.041 -7.091 1.00 0.00 C ATOM 574 O GLY A 41 3.954 -14.135 -6.801 1.00 0.00 O ATOM 0 H GLY A 41 4.873 -17.119 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.026 -16.989 -7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.463 -16.983 -6.539 1.00 0.00 H new ATOM 578 N TYR A 42 2.090 -14.852 -7.837 1.00 0.00 N ATOM 579 CA TYR A 42 1.750 -13.539 -8.371 1.00 0.00 C ATOM 580 C TYR A 42 0.817 -12.791 -7.424 1.00 0.00 C ATOM 581 O TYR A 42 -0.037 -12.017 -7.858 1.00 0.00 O ATOM 582 CB TYR A 42 1.095 -13.678 -9.746 1.00 0.00 C ATOM 583 CG TYR A 42 0.793 -12.353 -10.410 1.00 0.00 C ATOM 584 CD1 TYR A 42 1.816 -11.479 -10.756 1.00 0.00 C ATOM 585 CD2 TYR A 42 -0.514 -11.976 -10.691 1.00 0.00 C ATOM 586 CE1 TYR A 42 1.546 -10.267 -11.362 1.00 0.00 C ATOM 587 CE2 TYR A 42 -0.793 -10.767 -11.299 1.00 0.00 C ATOM 588 CZ TYR A 42 0.240 -9.916 -11.632 1.00 0.00 C ATOM 589 OH TYR A 42 -0.035 -8.711 -12.236 1.00 0.00 O ATOM 0 H TYR A 42 1.433 -15.592 -8.085 1.00 0.00 H new ATOM 0 HA TYR A 42 2.672 -12.966 -8.472 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.751 -14.259 -10.395 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.168 -14.242 -9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.840 -11.752 -10.548 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.326 -12.639 -10.430 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.353 -9.598 -11.623 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.815 -10.490 -11.512 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.003 -8.619 -12.356 1.00 0.00 H new ATOM 599 N ARG A 43 0.987 -13.027 -6.127 1.00 0.00 N ATOM 600 CA ARG A 43 0.161 -12.377 -5.117 1.00 0.00 C ATOM 601 C ARG A 43 0.969 -12.093 -3.854 1.00 0.00 C ATOM 602 O ARG A 43 2.077 -12.602 -3.687 1.00 0.00 O ATOM 603 CB ARG A 43 -1.048 -13.251 -4.776 1.00 0.00 C ATOM 604 CG ARG A 43 -1.868 -13.656 -5.990 1.00 0.00 C ATOM 605 CD ARG A 43 -1.371 -14.964 -6.586 1.00 0.00 C ATOM 606 NE ARG A 43 -2.431 -15.683 -7.288 1.00 0.00 N ATOM 607 CZ ARG A 43 -2.393 -16.987 -7.540 1.00 0.00 C ATOM 608 NH1 ARG A 43 -1.353 -17.711 -7.149 1.00 0.00 N ATOM 609 NH2 ARG A 43 -3.396 -17.569 -8.184 1.00 0.00 N ATOM 0 H ARG A 43 1.690 -13.664 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.188 -11.429 -5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.703 -14.150 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.689 -12.713 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.915 -13.759 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.818 -12.870 -6.743 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.553 -14.760 -7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.969 -15.594 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.245 -15.155 -7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.580 -17.267 -6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.326 -18.712 -7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.198 -17.015 -8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.366 -18.570 -8.377 1.00 0.00 H new ATOM 623 N ILE A 44 0.406 -11.277 -2.969 1.00 0.00 N ATOM 624 CA ILE A 44 1.074 -10.926 -1.722 1.00 0.00 C ATOM 625 C ILE A 44 0.096 -10.944 -0.551 1.00 0.00 C ATOM 626 O ILE A 44 -1.097 -10.691 -0.720 1.00 0.00 O ATOM 627 CB ILE A 44 1.730 -9.536 -1.807 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.699 -8.485 -2.224 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.896 -9.560 -2.785 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.179 -7.062 -2.042 1.00 0.00 C ATOM 0 H ILE A 44 -0.511 -10.847 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 44 1.849 -11.675 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 44 2.113 -9.270 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.437 -8.640 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.211 -8.630 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.350 -8.570 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.639 -10.283 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.536 -9.844 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.397 -6.371 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.414 -6.889 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.072 -6.899 -2.645 1.00 0.00 H new ATOM 642 N LYS A 45 0.610 -11.242 0.637 1.00 0.00 N ATOM 643 CA LYS A 45 -0.215 -11.290 1.838 1.00 0.00 C ATOM 644 C LYS A 45 -0.461 -9.887 2.385 1.00 0.00 C ATOM 645 O LYS A 45 0.479 -9.121 2.604 1.00 0.00 O ATOM 646 CB LYS A 45 0.455 -12.155 2.908 1.00 0.00 C ATOM 647 CG LYS A 45 -0.530 -12.850 3.832 1.00 0.00 C ATOM 648 CD LYS A 45 0.134 -13.972 4.613 1.00 0.00 C ATOM 649 CE LYS A 45 -0.895 -14.892 5.252 1.00 0.00 C ATOM 650 NZ LYS A 45 -1.747 -14.171 6.238 1.00 0.00 N ATOM 0 H LYS A 45 1.595 -11.454 0.794 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.175 -11.731 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.075 -12.907 2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.121 -11.531 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.954 -12.124 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.357 -13.253 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.776 -14.549 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.775 -13.549 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.526 -15.326 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.385 -15.718 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.743 -14.434 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.456 -14.429 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.638 -13.145 6.107 1.00 0.00 H new ATOM 664 N LEU A 46 -1.729 -9.557 2.605 1.00 0.00 N ATOM 665 CA LEU A 46 -2.099 -8.246 3.128 1.00 0.00 C ATOM 666 C LEU A 46 -2.577 -8.352 4.573 1.00 0.00 C ATOM 667 O LEU A 46 -3.622 -8.941 4.851 1.00 0.00 O ATOM 668 CB LEU A 46 -3.192 -7.619 2.262 1.00 0.00 C ATOM 669 CG LEU A 46 -2.722 -6.939 0.976 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.878 -5.715 1.297 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.939 -7.916 0.111 1.00 0.00 C ATOM 0 H LEU A 46 -2.518 -10.179 2.429 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.215 -7.609 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.908 -8.397 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.727 -6.884 2.863 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.600 -6.614 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.552 -5.244 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.470 -5.006 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.005 -6.017 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.613 -7.414 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.068 -8.272 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.575 -8.762 -0.149 1.00 0.00 H new ATOM 683 N HIS A 47 -1.806 -7.775 5.490 1.00 0.00 N ATOM 684 CA HIS A 47 -2.152 -7.802 6.906 1.00 0.00 C ATOM 685 C HIS A 47 -2.707 -6.454 7.355 1.00 0.00 C ATOM 686 O HIS A 47 -2.261 -5.403 6.895 1.00 0.00 O ATOM 687 CB HIS A 47 -0.927 -8.167 7.746 1.00 0.00 C ATOM 688 CG HIS A 47 -1.127 -7.965 9.216 1.00 0.00 C ATOM 689 ND1 HIS A 47 -2.041 -8.684 9.957 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.523 -7.120 10.083 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.991 -8.288 11.217 1.00 0.00 C ATOM 692 NE2 HIS A 47 -1.078 -7.340 11.320 1.00 0.00 N ATOM 0 H HIS A 47 -0.938 -7.283 5.277 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.922 -8.560 7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.669 -9.210 7.563 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.079 -7.566 7.417 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.251 -6.405 9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.595 -8.674 12.025 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.826 -6.851 12.179 1.00 0.00 H new ATOM 701 N PHE A 48 -3.684 -6.492 8.256 1.00 0.00 N ATOM 702 CA PHE A 48 -4.302 -5.274 8.766 1.00 0.00 C ATOM 703 C PHE A 48 -3.653 -4.843 10.078 1.00 0.00 C ATOM 704 O PHE A 48 -3.883 -5.450 11.125 1.00 0.00 O ATOM 705 CB PHE A 48 -5.803 -5.485 8.971 1.00 0.00 C ATOM 706 CG PHE A 48 -6.581 -5.548 7.688 1.00 0.00 C ATOM 707 CD1 PHE A 48 -7.014 -4.388 7.067 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.877 -6.768 7.101 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.731 -4.443 5.886 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.593 -6.830 5.920 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.019 -5.666 5.312 1.00 0.00 C ATOM 0 H PHE A 48 -4.064 -7.354 8.648 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.151 -4.484 8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.959 -6.410 9.527 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.195 -4.674 9.585 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.789 -3.429 7.510 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.544 -7.681 7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.065 -3.531 5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.819 -7.787 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.577 -5.712 4.388 1.00 0.00 H new ATOM 721 N ASP A 49 -2.842 -3.793 10.014 1.00 0.00 N ATOM 722 CA ASP A 49 -2.160 -3.280 11.196 1.00 0.00 C ATOM 723 C ASP A 49 -3.105 -3.235 12.392 1.00 0.00 C ATOM 724 O ASP A 49 -4.198 -2.675 12.311 1.00 0.00 O ATOM 725 CB ASP A 49 -1.597 -1.885 10.921 1.00 0.00 C ATOM 726 CG ASP A 49 -0.437 -1.538 11.834 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.691 -1.042 12.952 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.723 -1.762 11.431 1.00 0.00 O ATOM 0 H ASP A 49 -2.641 -3.280 9.156 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.337 -3.955 11.432 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.269 -1.827 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.388 -1.146 11.047 1.00 0.00 H new ATOM 733 N GLY A 50 -2.677 -3.829 13.502 1.00 0.00 N ATOM 734 CA GLY A 50 -3.498 -3.846 14.698 1.00 0.00 C ATOM 735 C GLY A 50 -4.489 -4.993 14.706 1.00 0.00 C ATOM 736 O GLY A 50 -4.614 -5.708 15.700 1.00 0.00 O ATOM 0 H GLY A 50 -1.776 -4.299 13.594 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.855 -3.920 15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.038 -2.903 14.777 1.00 0.00 H new ATOM 740 N TYR A 51 -5.197 -5.168 13.595 1.00 0.00 N ATOM 741 CA TYR A 51 -6.185 -6.234 13.479 1.00 0.00 C ATOM 742 C TYR A 51 -5.508 -7.600 13.415 1.00 0.00 C ATOM 743 O TYR A 51 -4.379 -7.724 12.940 1.00 0.00 O ATOM 744 CB TYR A 51 -7.050 -6.023 12.236 1.00 0.00 C ATOM 745 CG TYR A 51 -8.006 -4.857 12.354 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.605 -3.568 12.025 1.00 0.00 C ATOM 747 CD2 TYR A 51 -9.310 -5.045 12.794 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.474 -2.501 12.133 1.00 0.00 C ATOM 749 CE2 TYR A 51 -10.187 -3.984 12.903 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.765 -2.713 12.572 1.00 0.00 C ATOM 751 OH TYR A 51 -10.634 -1.652 12.679 1.00 0.00 O ATOM 0 H TYR A 51 -5.105 -4.586 12.763 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.820 -6.204 14.365 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.401 -5.864 11.375 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.620 -6.931 12.042 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.596 -3.398 11.679 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.644 -6.038 13.055 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.145 -1.505 11.875 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.198 -4.148 13.246 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.503 -1.972 13.001 1.00 0.00 H new ATOM 761 N SER A 52 -6.206 -8.623 13.897 1.00 0.00 N ATOM 762 CA SER A 52 -5.673 -9.980 13.898 1.00 0.00 C ATOM 763 C SER A 52 -5.231 -10.391 12.497 1.00 0.00 C ATOM 764 O SER A 52 -5.831 -9.987 11.501 1.00 0.00 O ATOM 765 CB SER A 52 -6.722 -10.963 14.423 1.00 0.00 C ATOM 766 OG SER A 52 -6.109 -12.074 15.054 1.00 0.00 O ATOM 0 H SER A 52 -7.143 -8.538 14.292 1.00 0.00 H new ATOM 0 HA SER A 52 -4.804 -10.002 14.556 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.379 -10.456 15.130 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.347 -11.308 13.599 1.00 0.00 H new ATOM 0 HG SER A 52 -6.800 -12.686 15.382 1.00 0.00 H new ATOM 772 N ASP A 53 -4.177 -11.198 12.429 1.00 0.00 N ATOM 773 CA ASP A 53 -3.654 -11.665 11.151 1.00 0.00 C ATOM 774 C ASP A 53 -4.399 -12.911 10.682 1.00 0.00 C ATOM 775 O ASP A 53 -3.815 -13.796 10.055 1.00 0.00 O ATOM 776 CB ASP A 53 -2.158 -11.964 11.266 1.00 0.00 C ATOM 777 CG ASP A 53 -1.860 -13.039 12.292 1.00 0.00 C ATOM 778 OD1 ASP A 53 -2.515 -14.101 12.246 1.00 0.00 O ATOM 779 OD2 ASP A 53 -0.972 -12.818 13.143 1.00 0.00 O ATOM 0 H ASP A 53 -3.669 -11.542 13.244 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.803 -10.875 10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.777 -12.278 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.628 -11.051 11.536 1.00 0.00 H new ATOM 784 N CYS A 54 -5.689 -12.974 10.990 1.00 0.00 N ATOM 785 CA CYS A 54 -6.514 -14.112 10.602 1.00 0.00 C ATOM 786 C CYS A 54 -7.309 -13.802 9.338 1.00 0.00 C ATOM 787 O CYS A 54 -7.486 -14.663 8.476 1.00 0.00 O ATOM 788 CB CYS A 54 -7.466 -14.490 11.738 1.00 0.00 C ATOM 789 SG CYS A 54 -8.018 -16.211 11.697 1.00 0.00 S ATOM 0 H CYS A 54 -6.187 -12.250 11.508 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.853 -14.954 10.396 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.971 -14.301 12.691 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.339 -13.839 11.698 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.817 -16.434 12.698 1.00 0.00 H new ATOM 795 N TYR A 55 -7.788 -12.567 9.235 1.00 0.00 N ATOM 796 CA TYR A 55 -8.568 -12.144 8.078 1.00 0.00 C ATOM 797 C TYR A 55 -7.659 -11.616 6.972 1.00 0.00 C ATOM 798 O TYR A 55 -8.005 -10.665 6.270 1.00 0.00 O ATOM 799 CB TYR A 55 -9.576 -11.067 8.482 1.00 0.00 C ATOM 800 CG TYR A 55 -10.280 -11.357 9.789 1.00 0.00 C ATOM 801 CD1 TYR A 55 -9.735 -10.947 11.000 1.00 0.00 C ATOM 802 CD2 TYR A 55 -11.488 -12.042 9.813 1.00 0.00 C ATOM 803 CE1 TYR A 55 -10.374 -11.210 12.196 1.00 0.00 C ATOM 804 CE2 TYR A 55 -12.135 -12.308 11.004 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.574 -11.890 12.193 1.00 0.00 C ATOM 806 OH TYR A 55 -12.214 -12.155 13.382 1.00 0.00 O ATOM 0 H TYR A 55 -7.650 -11.842 9.939 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.107 -13.012 7.698 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.060 -10.110 8.561 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.321 -10.964 7.693 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.796 -10.414 11.006 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.929 -12.372 8.884 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.936 -10.885 13.128 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.075 -12.840 11.004 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.047 -12.640 13.204 1.00 0.00 H new ATOM 816 N ASP A 56 -6.496 -12.240 6.822 1.00 0.00 N ATOM 817 CA ASP A 56 -5.537 -11.835 5.801 1.00 0.00 C ATOM 818 C ASP A 56 -6.025 -12.230 4.410 1.00 0.00 C ATOM 819 O ASP A 56 -6.568 -13.318 4.217 1.00 0.00 O ATOM 820 CB ASP A 56 -4.172 -12.468 6.074 1.00 0.00 C ATOM 821 CG ASP A 56 -3.355 -11.672 7.073 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.908 -11.296 8.128 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.161 -11.425 6.800 1.00 0.00 O ATOM 0 H ASP A 56 -6.194 -13.028 7.395 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.440 -10.750 5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.313 -13.481 6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.618 -12.549 5.139 1.00 0.00 H new ATOM 828 N PHE A 57 -5.828 -11.338 3.445 1.00 0.00 N ATOM 829 CA PHE A 57 -6.250 -11.593 2.072 1.00 0.00 C ATOM 830 C PHE A 57 -5.096 -11.372 1.099 1.00 0.00 C ATOM 831 O PHE A 57 -4.340 -10.409 1.224 1.00 0.00 O ATOM 832 CB PHE A 57 -7.425 -10.686 1.701 1.00 0.00 C ATOM 833 CG PHE A 57 -7.075 -9.225 1.687 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.790 -8.556 2.866 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.030 -8.522 0.494 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.467 -7.213 2.856 1.00 0.00 C ATOM 837 CE2 PHE A 57 -6.708 -7.178 0.478 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.425 -6.523 1.660 1.00 0.00 C ATOM 0 H PHE A 57 -5.379 -10.433 3.588 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.567 -12.634 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.797 -10.971 0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.237 -10.850 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.821 -9.091 3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.249 -9.030 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.248 -6.703 3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.678 -6.641 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.171 -5.473 1.650 1.00 0.00 H new ATOM 848 N TRP A 58 -4.968 -12.271 0.130 1.00 0.00 N ATOM 849 CA TRP A 58 -3.905 -12.175 -0.865 1.00 0.00 C ATOM 850 C TRP A 58 -4.376 -11.402 -2.092 1.00 0.00 C ATOM 851 O TRP A 58 -5.307 -11.819 -2.781 1.00 0.00 O ATOM 852 CB TRP A 58 -3.437 -13.572 -1.277 1.00 0.00 C ATOM 853 CG TRP A 58 -2.635 -14.266 -0.217 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.089 -14.719 0.989 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.240 -14.583 -0.268 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.060 -15.299 1.691 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.916 -15.229 0.941 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.234 -14.387 -1.217 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.372 -15.677 1.223 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.044 -14.831 -0.936 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.337 -15.471 0.276 1.00 0.00 C ATOM 0 H TRP A 58 -5.586 -13.074 0.012 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.070 -11.636 -0.417 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.307 -14.181 -1.522 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.837 -13.494 -2.184 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.107 -14.634 1.339 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.136 -15.714 2.620 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.451 -13.897 -2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.601 -16.170 2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.830 -14.682 -1.662 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.345 -15.808 0.466 1.00 0.00 H new ATOM 872 N VAL A 59 -3.727 -10.273 -2.360 1.00 0.00 N ATOM 873 CA VAL A 59 -4.080 -9.442 -3.505 1.00 0.00 C ATOM 874 C VAL A 59 -3.088 -9.631 -4.647 1.00 0.00 C ATOM 875 O VAL A 59 -2.075 -10.313 -4.496 1.00 0.00 O ATOM 876 CB VAL A 59 -4.127 -7.951 -3.122 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.023 -7.738 -1.912 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.725 -7.424 -2.857 1.00 0.00 C ATOM 0 H VAL A 59 -2.954 -9.913 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.071 -9.757 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.548 -7.393 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.044 -6.679 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.033 -8.075 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.635 -8.307 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.778 -6.369 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.274 -7.985 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.117 -7.540 -3.754 1.00 0.00 H new ATOM 888 N ASN A 60 -3.387 -9.022 -5.790 1.00 0.00 N ATOM 889 CA ASN A 60 -2.521 -9.124 -6.959 1.00 0.00 C ATOM 890 C ASN A 60 -1.307 -8.210 -6.818 1.00 0.00 C ATOM 891 O ASN A 60 -1.423 -7.074 -6.358 1.00 0.00 O ATOM 892 CB ASN A 60 -3.298 -8.766 -8.227 1.00 0.00 C ATOM 893 CG ASN A 60 -4.477 -9.690 -8.463 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.509 -9.578 -7.801 1.00 0.00 O ATOM 895 ND2 ASN A 60 -4.329 -10.609 -9.409 1.00 0.00 N ATOM 0 H ASN A 60 -4.222 -8.453 -5.932 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.172 -10.154 -7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.654 -7.738 -8.154 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.628 -8.810 -9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.089 -11.259 -9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.456 -10.665 -9.933 1.00 0.00 H new ATOM 902 N ALA A 61 -0.144 -8.714 -7.218 1.00 0.00 N ATOM 903 CA ALA A 61 1.090 -7.942 -7.139 1.00 0.00 C ATOM 904 C ALA A 61 0.959 -6.618 -7.883 1.00 0.00 C ATOM 905 O ALA A 61 1.622 -5.637 -7.546 1.00 0.00 O ATOM 906 CB ALA A 61 2.253 -8.750 -7.696 1.00 0.00 C ATOM 0 H ALA A 61 -0.031 -9.653 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 61 1.284 -7.720 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.169 -8.162 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.369 -9.667 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.056 -9.001 -8.738 1.00 0.00 H new ATOM 912 N ASP A 62 0.100 -6.597 -8.896 1.00 0.00 N ATOM 913 CA ASP A 62 -0.119 -5.392 -9.688 1.00 0.00 C ATOM 914 C ASP A 62 -1.567 -4.925 -9.579 1.00 0.00 C ATOM 915 O ASP A 62 -2.198 -4.589 -10.580 1.00 0.00 O ATOM 916 CB ASP A 62 0.238 -5.647 -11.153 1.00 0.00 C ATOM 917 CG ASP A 62 1.735 -5.740 -11.377 1.00 0.00 C ATOM 918 OD1 ASP A 62 2.398 -6.508 -10.648 1.00 0.00 O ATOM 919 OD2 ASP A 62 2.244 -5.045 -12.281 1.00 0.00 O ATOM 0 H ASP A 62 -0.456 -7.401 -9.188 1.00 0.00 H new ATOM 0 HA ASP A 62 0.528 -4.607 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.234 -6.572 -11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.169 -4.845 -11.768 1.00 0.00 H new ATOM 924 N ALA A 63 -2.087 -4.909 -8.356 1.00 0.00 N ATOM 925 CA ALA A 63 -3.460 -4.483 -8.116 1.00 0.00 C ATOM 926 C ALA A 63 -3.566 -2.962 -8.085 1.00 0.00 C ATOM 927 O ALA A 63 -2.560 -2.262 -7.961 1.00 0.00 O ATOM 928 CB ALA A 63 -3.977 -5.076 -6.813 1.00 0.00 C ATOM 0 H ALA A 63 -1.578 -5.186 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.076 -4.848 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.004 -4.749 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.947 -6.164 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.351 -4.740 -5.987 1.00 0.00 H new ATOM 934 N LEU A 64 -4.789 -2.456 -8.200 1.00 0.00 N ATOM 935 CA LEU A 64 -5.026 -1.017 -8.186 1.00 0.00 C ATOM 936 C LEU A 64 -5.402 -0.540 -6.787 1.00 0.00 C ATOM 937 O LEU A 64 -4.872 0.457 -6.296 1.00 0.00 O ATOM 938 CB LEU A 64 -6.133 -0.653 -9.176 1.00 0.00 C ATOM 939 CG LEU A 64 -5.936 -1.140 -10.612 1.00 0.00 C ATOM 940 CD1 LEU A 64 -7.223 -0.987 -11.409 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.799 -0.382 -11.282 1.00 0.00 C ATOM 0 H LEU A 64 -5.632 -3.021 -8.304 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.103 -0.519 -8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.074 -1.057 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.236 0.432 -9.192 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.674 -2.198 -10.583 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.064 -1.339 -12.428 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.013 -1.575 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.516 0.063 -11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.674 -0.742 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.032 0.683 -11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.876 -0.543 -10.725 1.00 0.00 H new ATOM 953 N ASP A 65 -6.318 -1.261 -6.149 1.00 0.00 N ATOM 954 CA ASP A 65 -6.763 -0.914 -4.804 1.00 0.00 C ATOM 955 C ASP A 65 -5.577 -0.553 -3.915 1.00 0.00 C ATOM 956 O ASP A 65 -5.582 0.480 -3.245 1.00 0.00 O ATOM 957 CB ASP A 65 -7.544 -2.075 -4.187 1.00 0.00 C ATOM 958 CG ASP A 65 -6.960 -3.425 -4.553 1.00 0.00 C ATOM 959 OD1 ASP A 65 -5.915 -3.794 -3.978 1.00 0.00 O ATOM 960 OD2 ASP A 65 -7.547 -4.112 -5.415 1.00 0.00 O ATOM 0 H ASP A 65 -6.767 -2.089 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.417 -0.045 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.552 -1.968 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.581 -2.029 -4.519 1.00 0.00 H new ATOM 965 N ILE A 66 -4.562 -1.411 -3.914 1.00 0.00 N ATOM 966 CA ILE A 66 -3.370 -1.183 -3.108 1.00 0.00 C ATOM 967 C ILE A 66 -2.691 0.129 -3.489 1.00 0.00 C ATOM 968 O ILE A 66 -2.843 0.616 -4.610 1.00 0.00 O ATOM 969 CB ILE A 66 -2.358 -2.334 -3.260 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.890 -2.443 -4.712 1.00 0.00 C ATOM 971 CG2 ILE A 66 -2.975 -3.645 -2.797 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.684 -3.338 -4.893 1.00 0.00 C ATOM 0 H ILE A 66 -4.542 -2.271 -4.463 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.697 -1.132 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.491 -2.121 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.709 -2.824 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.652 -1.447 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.248 -4.449 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.263 -3.561 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.856 -3.865 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.408 -3.368 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.150 -2.947 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.924 -4.345 -4.552 1.00 0.00 H new ATOM 984 N HIS A 67 -1.940 0.695 -2.550 1.00 0.00 N ATOM 985 CA HIS A 67 -1.235 1.950 -2.788 1.00 0.00 C ATOM 986 C HIS A 67 -0.043 2.090 -1.846 1.00 0.00 C ATOM 987 O HIS A 67 -0.006 1.510 -0.761 1.00 0.00 O ATOM 988 CB HIS A 67 -2.185 3.135 -2.608 1.00 0.00 C ATOM 989 CG HIS A 67 -3.060 3.386 -3.797 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.580 3.865 -4.998 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.393 3.222 -3.966 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.579 3.985 -5.853 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.691 3.601 -5.252 1.00 0.00 N ATOM 0 H HIS A 67 -1.804 0.305 -1.617 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.866 1.943 -3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.814 2.957 -1.736 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.600 4.031 -2.402 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.092 2.860 -3.227 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.500 4.337 -6.871 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.619 3.588 -5.674 1.00 0.00 H new ATOM 1002 N PRO A 68 0.956 2.879 -2.269 1.00 0.00 N ATOM 1003 CA PRO A 68 2.168 3.114 -1.479 1.00 0.00 C ATOM 1004 C PRO A 68 1.896 3.958 -0.238 1.00 0.00 C ATOM 1005 O PRO A 68 0.833 4.564 -0.108 1.00 0.00 O ATOM 1006 CB PRO A 68 3.083 3.867 -2.447 1.00 0.00 C ATOM 1007 CG PRO A 68 2.156 4.528 -3.408 1.00 0.00 C ATOM 1008 CD PRO A 68 0.979 3.603 -3.551 1.00 0.00 C ATOM 0 HA PRO A 68 2.596 2.185 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.697 4.599 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.764 3.187 -2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.842 5.504 -3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.643 4.692 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.053 4.154 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.102 2.923 -4.394 1.00 0.00 H new ATOM 1016 N VAL A 69 2.864 3.992 0.672 1.00 0.00 N ATOM 1017 CA VAL A 69 2.730 4.763 1.903 1.00 0.00 C ATOM 1018 C VAL A 69 2.625 6.255 1.607 1.00 0.00 C ATOM 1019 O VAL A 69 3.241 6.758 0.669 1.00 0.00 O ATOM 1020 CB VAL A 69 3.920 4.521 2.850 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.737 5.295 4.146 1.00 0.00 C ATOM 1022 CG2 VAL A 69 4.087 3.034 3.125 1.00 0.00 C ATOM 0 H VAL A 69 3.750 3.495 0.580 1.00 0.00 H new ATOM 0 HA VAL A 69 1.815 4.426 2.390 1.00 0.00 H new ATOM 0 HB VAL A 69 4.827 4.882 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.588 5.112 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.671 6.361 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.821 4.968 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.932 2.881 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.180 2.646 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.268 2.509 2.187 1.00 0.00 H new ATOM 1032 N GLY A 70 1.839 6.960 2.417 1.00 0.00 N ATOM 1033 CA GLY A 70 1.668 8.388 2.226 1.00 0.00 C ATOM 1034 C GLY A 70 0.961 8.719 0.927 1.00 0.00 C ATOM 1035 O GLY A 70 1.271 9.720 0.281 1.00 0.00 O ATOM 0 H GLY A 70 1.318 6.567 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.099 8.797 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.644 8.872 2.238 1.00 0.00 H new ATOM 1039 N TRP A 71 0.010 7.876 0.542 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.742 8.083 -0.691 1.00 0.00 C ATOM 1041 C TRP A 71 -2.036 8.842 -0.418 1.00 0.00 C ATOM 1042 O TRP A 71 -2.420 9.729 -1.182 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.054 6.741 -1.355 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.097 6.836 -2.427 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.883 6.953 -3.770 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.517 6.826 -2.244 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -3.085 7.015 -4.434 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.102 6.938 -3.520 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.351 6.730 -1.127 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.482 6.958 -3.707 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.720 6.750 -1.314 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.274 6.863 -2.596 1.00 0.00 C ATOM 0 H TRP A 71 -0.259 7.043 1.065 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.128 8.679 -1.366 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.138 6.335 -1.784 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.389 6.036 -0.594 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.912 6.991 -4.242 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.201 7.104 -5.444 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.933 6.642 -0.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.911 7.045 -4.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.374 6.677 -0.458 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.348 6.875 -2.709 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.705 8.489 0.674 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.957 9.137 1.047 1.00 0.00 C ATOM 1065 C CYS A 72 -3.806 10.655 1.043 1.00 0.00 C ATOM 1066 O CYS A 72 -4.650 11.370 0.504 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.411 8.661 2.428 1.00 0.00 C ATOM 1068 SG CYS A 72 -6.196 8.760 2.693 1.00 0.00 S ATOM 0 H CYS A 72 -2.401 7.757 1.317 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.712 8.863 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.090 7.629 2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.908 9.257 3.189 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.696 7.561 2.733 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.727 11.138 1.649 1.00 0.00 N ATOM 1075 CA GLU A 73 -2.467 12.572 1.717 1.00 0.00 C ATOM 1076 C GLU A 73 -1.963 13.098 0.377 1.00 0.00 C ATOM 1077 O GLU A 73 -2.121 14.277 0.060 1.00 0.00 O ATOM 1078 CB GLU A 73 -1.445 12.876 2.814 1.00 0.00 C ATOM 1079 CG GLU A 73 -2.037 12.884 4.213 1.00 0.00 C ATOM 1080 CD GLU A 73 -0.984 12.732 5.294 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -0.304 11.685 5.316 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -0.839 13.660 6.117 1.00 0.00 O ATOM 0 H GLU A 73 -2.019 10.559 2.100 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.405 13.074 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.647 12.135 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.990 13.846 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.580 13.817 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.762 12.075 4.301 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.354 12.214 -0.407 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.826 12.587 -1.714 1.00 0.00 C ATOM 1091 C LYS A 74 -1.954 12.961 -2.671 1.00 0.00 C ATOM 1092 O LYS A 74 -1.847 13.926 -3.427 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.005 11.437 -2.302 1.00 0.00 C ATOM 1094 CG LYS A 74 0.432 11.673 -3.738 1.00 0.00 C ATOM 1095 CD LYS A 74 1.010 10.413 -4.359 1.00 0.00 C ATOM 1096 CE LYS A 74 1.504 10.666 -5.775 1.00 0.00 C ATOM 1097 NZ LYS A 74 2.083 9.439 -6.389 1.00 0.00 N ATOM 0 H LYS A 74 -1.214 11.234 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.182 13.456 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.879 11.279 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.594 10.521 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.420 12.012 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.177 12.468 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.833 10.048 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.251 9.631 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.678 11.024 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.256 11.455 -5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.408 9.654 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.888 9.111 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.358 8.694 -6.426 1.00 0.00 H new ATOM 1111 N THR A 75 -3.038 12.190 -2.631 1.00 0.00 N ATOM 1112 CA THR A 75 -4.186 12.441 -3.493 1.00 0.00 C ATOM 1113 C THR A 75 -5.207 13.337 -2.802 1.00 0.00 C ATOM 1114 O THR A 75 -5.902 14.118 -3.450 1.00 0.00 O ATOM 1115 CB THR A 75 -4.872 11.127 -3.911 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.417 10.471 -2.760 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.887 10.201 -4.609 1.00 0.00 C ATOM 0 H THR A 75 -3.144 11.387 -2.011 1.00 0.00 H new ATOM 0 HA THR A 75 -3.809 12.945 -4.383 1.00 0.00 H new ATOM 0 HB THR A 75 -5.676 11.368 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.473 9.507 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.394 9.279 -4.895 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.495 10.691 -5.500 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.065 9.968 -3.932 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.293 13.219 -1.480 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.232 14.025 -0.723 1.00 0.00 C ATOM 1127 C GLY A 76 -7.484 13.258 -0.348 1.00 0.00 C ATOM 1128 O GLY A 76 -8.573 13.551 -0.843 1.00 0.00 O ATOM 0 H GLY A 76 -4.729 12.579 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.747 14.388 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.509 14.902 -1.309 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.331 12.270 0.529 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.459 11.456 0.969 1.00 0.00 C ATOM 1134 C HIS A 77 -8.397 11.211 2.474 1.00 0.00 C ATOM 1135 O HIS A 77 -7.526 11.741 3.165 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.474 10.122 0.223 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.847 9.551 0.046 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.477 8.541 0.692 1.00 0.00 N flip ATOM 1139 CD2 HIS A 77 -10.742 10.020 -0.893 1.00 0.00 C flip ATOM 1140 CE1 HIS A 77 -11.728 8.422 0.139 1.00 0.00 C flip ATOM 1141 NE2 HIS A 77 -11.863 9.326 -0.815 1.00 0.00 N flip ATOM 0 H HIS A 77 -6.437 12.014 0.949 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.377 11.999 0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.017 10.258 -0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.858 9.405 0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.555 10.829 -1.584 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.480 7.706 0.436 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.692 9.464 -1.393 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.327 10.406 2.975 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.379 10.089 4.398 1.00 0.00 C ATOM 1152 C LYS A 78 -8.924 8.655 4.653 1.00 0.00 C ATOM 1153 O LYS A 78 -9.680 7.706 4.440 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.798 10.288 4.934 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.975 9.832 6.372 1.00 0.00 C ATOM 1156 CD LYS A 78 -10.686 10.955 7.353 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.988 10.536 8.784 1.00 0.00 C ATOM 1158 NZ LYS A 78 -10.069 9.462 9.253 1.00 0.00 N ATOM 0 H LYS A 78 -10.056 9.961 2.417 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.702 10.765 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.060 11.344 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.497 9.742 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.994 9.473 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.310 8.992 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.640 11.250 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.284 11.829 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.901 11.401 9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.018 10.187 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.907 9.565 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.495 8.533 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.162 9.537 8.750 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.687 8.505 5.112 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.132 7.187 5.398 1.00 0.00 C ATOM 1174 C LEU A 79 -7.786 6.577 6.634 1.00 0.00 C ATOM 1175 O LEU A 79 -8.048 7.271 7.617 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.619 7.282 5.603 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.963 6.101 6.320 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.013 4.854 5.451 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.526 6.436 6.694 1.00 0.00 C ATOM 0 H LEU A 79 -7.049 9.280 5.294 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.337 6.541 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.147 7.397 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.405 8.189 6.169 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.519 5.902 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.542 4.024 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.051 4.603 5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.482 5.040 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.075 5.585 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.958 6.662 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.515 7.302 7.356 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.046 5.275 6.578 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.667 4.571 7.695 1.00 0.00 C ATOM 1193 C HIS A 80 -7.609 3.958 8.607 1.00 0.00 C ATOM 1194 O HIS A 80 -6.971 2.959 8.275 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.606 3.479 7.178 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.778 4.011 6.412 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.071 3.578 6.620 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.848 4.946 5.437 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.885 4.223 5.803 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.168 5.059 5.075 1.00 0.00 N ATOM 0 H HIS A 80 -7.837 4.686 5.772 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.244 5.294 8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.043 2.799 6.539 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.970 2.894 8.023 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.020 5.500 5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.955 4.089 5.741 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.535 5.687 4.360 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.417 4.570 9.785 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.436 4.102 10.769 1.00 0.00 C ATOM 1211 C PRO A 81 -6.844 2.781 11.411 1.00 0.00 C ATOM 1212 O PRO A 81 -7.974 2.314 11.264 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.420 5.221 11.813 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.757 5.867 11.697 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.142 5.765 10.247 1.00 0.00 C ATOM 0 HA PRO A 81 -5.464 3.909 10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.257 4.825 12.815 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.618 5.933 11.618 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.489 5.366 12.331 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.717 6.908 12.018 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.219 5.654 10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.848 6.654 9.690 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.905 2.161 12.141 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.145 0.885 12.821 1.00 0.00 C ATOM 1225 C PRO A 82 -7.105 1.026 13.997 1.00 0.00 C ATOM 1226 O PRO A 82 -7.676 2.093 14.221 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.753 0.478 13.312 1.00 0.00 C ATOM 1228 CG PRO A 82 -4.007 1.761 13.442 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.536 2.659 12.359 1.00 0.00 C ATOM 0 HA PRO A 82 -6.610 0.153 12.161 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.807 -0.047 14.266 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.265 -0.194 12.606 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.161 2.204 14.426 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.935 1.602 13.328 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.533 3.705 12.667 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.935 2.592 11.452 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.277 -0.057 14.747 1.00 0.00 N ATOM 1238 CA LYS A 83 -8.167 -0.055 15.902 1.00 0.00 C ATOM 1239 C LYS A 83 -7.694 0.947 16.951 1.00 0.00 C ATOM 1240 O LYS A 83 -6.544 0.907 17.388 1.00 0.00 O ATOM 1241 CB LYS A 83 -8.244 -1.454 16.516 1.00 0.00 C ATOM 1242 CG LYS A 83 -7.030 -1.819 17.353 1.00 0.00 C ATOM 1243 CD LYS A 83 -7.213 -1.416 18.807 1.00 0.00 C ATOM 1244 CE LYS A 83 -7.853 -2.532 19.618 1.00 0.00 C ATOM 1245 NZ LYS A 83 -7.753 -2.281 21.082 1.00 0.00 N ATOM 0 H LYS A 83 -6.811 -0.948 14.576 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.160 0.241 15.563 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.137 -1.520 17.138 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.357 -2.187 15.717 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.854 -2.893 17.292 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.146 -1.328 16.947 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.246 -1.159 19.239 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.834 -0.522 18.863 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.902 -2.630 19.337 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.369 -3.479 19.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.201 -3.064 21.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.752 -2.213 21.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.237 -1.390 21.315 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.589 1.844 17.353 1.00 0.00 N ATOM 1260 CA GLY A 84 -8.244 2.842 18.349 1.00 0.00 C ATOM 1261 C GLY A 84 -7.181 3.806 17.859 1.00 0.00 C ATOM 1262 O GLY A 84 -6.231 4.112 18.580 1.00 0.00 O ATOM 0 H GLY A 84 -9.547 1.898 17.007 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.138 3.401 18.624 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.890 2.343 19.251 1.00 0.00 H new ATOM 1266 N TYR A 85 -7.340 4.284 16.630 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.384 5.216 16.043 1.00 0.00 C ATOM 1268 C TYR A 85 -7.091 6.233 15.152 1.00 0.00 C ATOM 1269 O TYR A 85 -8.197 5.990 14.669 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.331 4.457 15.234 1.00 0.00 C ATOM 1271 CG TYR A 85 -4.120 4.053 16.044 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -3.028 4.904 16.169 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -4.066 2.821 16.684 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.919 4.540 16.907 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.962 2.449 17.426 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.891 3.311 17.534 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.788 2.944 18.271 1.00 0.00 O ATOM 0 H TYR A 85 -8.121 4.042 16.021 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.892 5.752 16.855 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.787 3.563 14.808 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.008 5.079 14.399 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.047 5.867 15.680 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.902 2.142 16.600 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.079 5.213 16.993 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.938 1.488 17.919 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.929 2.050 18.647 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.444 7.373 14.939 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.007 8.428 14.104 1.00 0.00 C ATOM 1289 C LYS A 86 -6.021 8.848 13.019 1.00 0.00 C ATOM 1290 O LYS A 86 -4.860 8.442 13.033 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.384 9.638 14.962 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.722 9.492 15.667 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.882 9.690 14.706 1.00 0.00 C ATOM 1294 CE LYS A 86 -11.139 10.138 15.436 1.00 0.00 C ATOM 1295 NZ LYS A 86 -12.367 9.889 14.630 1.00 0.00 N ATOM 0 H LYS A 86 -5.529 7.591 15.333 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.904 8.037 13.623 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.606 9.800 15.708 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.411 10.526 14.331 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.789 8.503 16.121 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.790 10.220 16.476 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.612 10.433 13.955 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.080 8.758 14.176 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.215 9.610 16.386 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.066 11.201 15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.202 10.208 15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.306 10.413 13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.451 8.872 14.431 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.492 9.665 12.082 1.00 0.00 N ATOM 1310 CA GLU A 87 -5.650 10.140 10.990 1.00 0.00 C ATOM 1311 C GLU A 87 -4.678 11.210 11.479 1.00 0.00 C ATOM 1312 O GLU A 87 -3.560 11.322 10.977 1.00 0.00 O ATOM 1313 CB GLU A 87 -6.513 10.699 9.857 1.00 0.00 C ATOM 1314 CG GLU A 87 -7.374 11.880 10.274 1.00 0.00 C ATOM 1315 CD GLU A 87 -7.840 12.708 9.092 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -6.988 13.356 8.449 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -9.056 12.708 8.809 1.00 0.00 O ATOM 0 H GLU A 87 -7.451 10.011 12.057 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.074 9.294 10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.865 11.004 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.158 9.906 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.243 11.516 10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.808 12.514 10.957 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.113 11.993 12.461 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.281 13.055 13.016 1.00 0.00 C ATOM 1326 C GLU A 88 -3.225 12.482 13.957 1.00 0.00 C ATOM 1327 O GLU A 88 -2.081 12.935 13.970 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.146 14.073 13.762 1.00 0.00 C ATOM 1329 CG GLU A 88 -5.989 13.461 14.869 1.00 0.00 C ATOM 1330 CD GLU A 88 -6.783 14.499 15.638 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -7.010 15.598 15.090 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.178 14.212 16.787 1.00 0.00 O ATOM 0 H GLU A 88 -6.036 11.912 12.888 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.775 13.555 12.190 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.501 14.841 14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.803 14.570 13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.674 12.731 14.438 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.340 12.921 15.559 1.00 0.00 H new ATOM 1339 N GLU A 89 -3.619 11.485 14.743 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.706 10.852 15.688 1.00 0.00 C ATOM 1341 C GLU A 89 -1.754 9.900 14.970 1.00 0.00 C ATOM 1342 O GLU A 89 -0.555 9.874 15.251 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.492 10.093 16.759 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.280 10.998 17.691 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.412 11.636 18.758 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.216 11.871 18.486 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -3.928 11.902 19.863 1.00 0.00 O ATOM 0 H GLU A 89 -4.563 11.099 14.744 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.117 11.635 16.166 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.179 9.401 16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.799 9.493 17.349 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.765 11.780 17.107 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.071 10.420 18.169 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.296 9.119 14.041 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.496 8.164 13.284 1.00 0.00 C ATOM 1356 C PHE A 90 -0.603 8.881 12.275 1.00 0.00 C ATOM 1357 O PHE A 90 -1.086 9.446 11.294 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.403 7.167 12.560 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.654 6.051 11.891 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.977 6.268 10.701 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.626 4.784 12.451 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.288 5.242 10.083 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.937 3.754 11.838 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.267 3.984 10.653 1.00 0.00 C ATOM 0 H PHE A 90 -3.286 9.129 13.795 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.861 7.624 13.986 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.107 6.743 13.276 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.990 7.699 11.812 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.988 7.250 10.252 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.149 4.599 13.378 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.234 5.424 9.155 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.923 2.771 12.285 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.273 3.181 10.172 1.00 0.00 H new ATOM 1374 N ASN A 91 0.702 8.855 12.525 1.00 0.00 N ATOM 1375 CA ASN A 91 1.663 9.503 11.641 1.00 0.00 C ATOM 1376 C ASN A 91 2.597 8.477 11.006 1.00 0.00 C ATOM 1377 O ASN A 91 3.451 7.900 11.679 1.00 0.00 O ATOM 1378 CB ASN A 91 2.478 10.542 12.413 1.00 0.00 C ATOM 1379 CG ASN A 91 1.804 11.900 12.444 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.958 12.166 13.297 1.00 0.00 O ATOM 1381 ND2 ASN A 91 2.177 12.767 11.509 1.00 0.00 N ATOM 0 H ASN A 91 1.118 8.392 13.333 1.00 0.00 H new ATOM 0 HA ASN A 91 1.108 10.003 10.847 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.632 10.193 13.434 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.463 10.639 11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.758 13.696 11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.883 12.503 10.821 1.00 0.00 H new ATOM 1388 N TRP A 92 2.428 8.256 9.707 1.00 0.00 N ATOM 1389 CA TRP A 92 3.256 7.299 8.981 1.00 0.00 C ATOM 1390 C TRP A 92 4.712 7.394 9.424 1.00 0.00 C ATOM 1391 O TRP A 92 5.224 6.499 10.096 1.00 0.00 O ATOM 1392 CB TRP A 92 3.151 7.543 7.475 1.00 0.00 C ATOM 1393 CG TRP A 92 2.047 6.767 6.823 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.897 7.272 6.285 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.987 5.348 6.643 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.127 6.251 5.781 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.774 5.062 5.987 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.842 4.292 6.969 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.396 3.764 5.655 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.466 3.004 6.638 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.252 2.749 5.986 1.00 0.00 C ATOM 0 H TRP A 92 1.726 8.726 9.135 1.00 0.00 H new ATOM 0 HA TRP A 92 2.892 6.296 9.206 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.992 8.607 7.297 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.098 7.279 7.004 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.632 8.319 6.260 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.780 6.361 5.327 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.780 4.479 7.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.540 3.565 5.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.119 2.180 6.886 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.987 1.731 5.740 1.00 0.00 H new ATOM 1412 N GLN A 93 5.372 8.482 9.043 1.00 0.00 N ATOM 1413 CA GLN A 93 6.770 8.692 9.401 1.00 0.00 C ATOM 1414 C GLN A 93 7.025 8.298 10.852 1.00 0.00 C ATOM 1415 O GLN A 93 7.951 7.542 11.149 1.00 0.00 O ATOM 1416 CB GLN A 93 7.161 10.154 9.181 1.00 0.00 C ATOM 1417 CG GLN A 93 6.171 11.144 9.771 1.00 0.00 C ATOM 1418 CD GLN A 93 6.273 12.519 9.140 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.810 13.451 9.739 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.758 12.652 7.924 1.00 0.00 N ATOM 0 H GLN A 93 4.962 9.232 8.487 1.00 0.00 H new ATOM 0 HA GLN A 93 7.382 8.059 8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.143 10.329 9.621 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.254 10.340 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.159 10.762 9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.342 11.227 10.844 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.322 11.852 7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.798 13.554 7.449 1.00 0.00 H new ATOM 1429 N THR A 94 6.197 8.815 11.755 1.00 0.00 N ATOM 1430 CA THR A 94 6.334 8.519 13.176 1.00 0.00 C ATOM 1431 C THR A 94 6.239 7.020 13.436 1.00 0.00 C ATOM 1432 O THR A 94 6.915 6.489 14.318 1.00 0.00 O ATOM 1433 CB THR A 94 5.257 9.241 14.006 1.00 0.00 C ATOM 1434 OG1 THR A 94 5.236 10.635 13.675 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.518 9.073 15.495 1.00 0.00 C ATOM 0 H THR A 94 5.424 9.441 11.527 1.00 0.00 H new ATOM 0 HA THR A 94 7.318 8.877 13.480 1.00 0.00 H new ATOM 0 HB THR A 94 4.290 8.797 13.770 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.547 11.087 14.206 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.744 9.592 16.061 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.505 8.013 15.749 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.492 9.494 15.743 1.00 0.00 H new ATOM 1443 N TYR A 95 5.398 6.342 12.664 1.00 0.00 N ATOM 1444 CA TYR A 95 5.214 4.903 12.812 1.00 0.00 C ATOM 1445 C TYR A 95 6.337 4.136 12.122 1.00 0.00 C ATOM 1446 O TYR A 95 6.621 2.986 12.462 1.00 0.00 O ATOM 1447 CB TYR A 95 3.862 4.478 12.236 1.00 0.00 C ATOM 1448 CG TYR A 95 3.696 2.980 12.122 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.203 2.129 13.097 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.032 2.415 11.040 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.054 0.759 12.996 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.878 1.046 10.932 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.391 0.222 11.912 1.00 0.00 C ATOM 1454 OH TYR A 95 3.240 -1.141 11.809 1.00 0.00 O ATOM 0 H TYR A 95 4.832 6.766 11.929 1.00 0.00 H new ATOM 0 HA TYR A 95 5.238 4.667 13.876 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.067 4.876 12.866 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.740 4.925 11.249 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.722 2.545 13.948 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.629 3.057 10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.455 0.112 13.762 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.359 0.623 10.085 1.00 0.00 H new ATOM 0 HH TYR A 95 2.299 -1.354 11.637 1.00 0.00 H new ATOM 1464 N LEU A 96 6.974 4.780 11.150 1.00 0.00 N ATOM 1465 CA LEU A 96 8.068 4.160 10.411 1.00 0.00 C ATOM 1466 C LEU A 96 9.406 4.421 11.096 1.00 0.00 C ATOM 1467 O LEU A 96 10.399 3.748 10.821 1.00 0.00 O ATOM 1468 CB LEU A 96 8.106 4.692 8.977 1.00 0.00 C ATOM 1469 CG LEU A 96 6.788 4.630 8.204 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.714 5.756 7.184 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.632 3.279 7.521 1.00 0.00 C ATOM 0 H LEU A 96 6.752 5.731 10.855 1.00 0.00 H new ATOM 0 HA LEU A 96 7.895 3.084 10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.440 5.729 9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.857 4.130 8.422 1.00 0.00 H new ATOM 0 HG LEU A 96 5.968 4.753 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.769 5.696 6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.778 6.716 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.541 5.664 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.688 3.254 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.457 3.126 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.639 2.489 8.272 1.00 0.00 H new ATOM 1483 N LYS A 97 9.424 5.401 11.994 1.00 0.00 N ATOM 1484 CA LYS A 97 10.637 5.749 12.723 1.00 0.00 C ATOM 1485 C LYS A 97 10.738 4.956 14.022 1.00 0.00 C ATOM 1486 O LYS A 97 11.831 4.586 14.452 1.00 0.00 O ATOM 1487 CB LYS A 97 10.662 7.249 13.026 1.00 0.00 C ATOM 1488 CG LYS A 97 9.904 7.628 14.286 1.00 0.00 C ATOM 1489 CD LYS A 97 10.804 7.593 15.510 1.00 0.00 C ATOM 1490 CE LYS A 97 10.099 8.154 16.736 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.595 7.531 17.994 1.00 0.00 N ATOM 0 H LYS A 97 8.611 5.968 12.234 1.00 0.00 H new ATOM 0 HA LYS A 97 11.492 5.496 12.096 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.698 7.574 13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.237 7.789 12.180 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.483 8.627 14.172 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.068 6.944 14.428 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.115 6.567 15.705 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.709 8.168 15.314 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.251 9.232 16.780 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.026 7.986 16.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.090 7.940 18.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.427 6.505 17.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.614 7.712 18.093 1.00 0.00 H new ATOM 1505 N THR A 98 9.591 4.696 14.642 1.00 0.00 N ATOM 1506 CA THR A 98 9.551 3.947 15.891 1.00 0.00 C ATOM 1507 C THR A 98 9.791 2.461 15.649 1.00 0.00 C ATOM 1508 O THR A 98 10.272 1.748 16.531 1.00 0.00 O ATOM 1509 CB THR A 98 8.201 4.126 16.610 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.277 3.590 17.936 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.083 3.438 15.843 1.00 0.00 C ATOM 0 H THR A 98 8.678 4.993 14.299 1.00 0.00 H new ATOM 0 HA THR A 98 10.346 4.343 16.522 1.00 0.00 H new ATOM 0 HB THR A 98 7.981 5.192 16.662 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.415 3.709 18.387 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.140 3.579 16.371 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.008 3.869 14.845 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.299 2.373 15.763 1.00 0.00 H new ATOM 1519 N CYS A 99 9.454 2.000 14.450 1.00 0.00 N ATOM 1520 CA CYS A 99 9.633 0.597 14.091 1.00 0.00 C ATOM 1521 C CYS A 99 10.889 0.408 13.247 1.00 0.00 C ATOM 1522 O CYS A 99 11.374 -0.711 13.078 1.00 0.00 O ATOM 1523 CB CYS A 99 8.410 0.083 13.331 1.00 0.00 C ATOM 1524 SG CYS A 99 8.086 -1.681 13.559 1.00 0.00 S ATOM 0 H CYS A 99 9.055 2.577 13.709 1.00 0.00 H new ATOM 0 HA CYS A 99 9.746 0.024 15.011 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.534 0.647 13.651 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.546 0.282 12.268 1.00 0.00 H new ATOM 0 HG CYS A 99 7.031 -2.020 12.879 1.00 0.00 H new ATOM 1530 N LYS A 100 11.411 1.509 12.717 1.00 0.00 N ATOM 1531 CA LYS A 100 12.610 1.466 11.889 1.00 0.00 C ATOM 1532 C LYS A 100 12.362 0.667 10.614 1.00 0.00 C ATOM 1533 O LYS A 100 13.230 -0.078 10.159 1.00 0.00 O ATOM 1534 CB LYS A 100 13.773 0.851 12.671 1.00 0.00 C ATOM 1535 CG LYS A 100 13.976 1.468 14.044 1.00 0.00 C ATOM 1536 CD LYS A 100 13.106 0.794 15.092 1.00 0.00 C ATOM 1537 CE LYS A 100 13.689 0.957 16.488 1.00 0.00 C ATOM 1538 NZ LYS A 100 13.329 -0.184 17.376 1.00 0.00 N ATOM 0 H LYS A 100 11.022 2.443 12.846 1.00 0.00 H new ATOM 0 HA LYS A 100 12.867 2.488 11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.598 -0.219 12.785 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.689 0.964 12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.024 1.383 14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.741 2.532 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.103 1.220 15.063 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.008 -0.266 14.859 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.774 1.037 16.421 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.327 1.887 16.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.745 -0.036 18.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.294 -0.245 17.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.696 -1.069 16.971 1.00 0.00 H new ATOM 1552 N ALA A 101 11.174 0.828 10.041 1.00 0.00 N ATOM 1553 CA ALA A 101 10.814 0.125 8.816 1.00 0.00 C ATOM 1554 C ALA A 101 10.875 1.056 7.610 1.00 0.00 C ATOM 1555 O ALA A 101 10.838 2.277 7.756 1.00 0.00 O ATOM 1556 CB ALA A 101 9.426 -0.485 8.946 1.00 0.00 C ATOM 0 H ALA A 101 10.444 1.440 10.406 1.00 0.00 H new ATOM 0 HA ALA A 101 11.537 -0.676 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.170 -1.007 8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.415 -1.190 9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.697 0.304 9.130 1.00 0.00 H new ATOM 1562 N GLN A 102 10.968 0.470 6.420 1.00 0.00 N ATOM 1563 CA GLN A 102 11.035 1.249 5.189 1.00 0.00 C ATOM 1564 C GLN A 102 9.711 1.191 4.436 1.00 0.00 C ATOM 1565 O GLN A 102 9.099 0.130 4.317 1.00 0.00 O ATOM 1566 CB GLN A 102 12.166 0.735 4.297 1.00 0.00 C ATOM 1567 CG GLN A 102 13.528 1.315 4.645 1.00 0.00 C ATOM 1568 CD GLN A 102 14.587 0.976 3.616 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.863 1.763 2.709 1.00 0.00 O ATOM 1570 NE2 GLN A 102 15.189 -0.200 3.750 1.00 0.00 N ATOM 0 H GLN A 102 10.999 -0.540 6.283 1.00 0.00 H new ATOM 0 HA GLN A 102 11.235 2.287 5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.213 -0.351 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.934 0.972 3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.446 2.398 4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.840 0.939 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.930 -0.821 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.911 -0.482 3.087 1.00 0.00 H new ATOM 1579 N ALA A 103 9.273 2.339 3.929 1.00 0.00 N ATOM 1580 CA ALA A 103 8.022 2.419 3.185 1.00 0.00 C ATOM 1581 C ALA A 103 8.198 1.907 1.759 1.00 0.00 C ATOM 1582 O ALA A 103 9.082 2.358 1.032 1.00 0.00 O ATOM 1583 CB ALA A 103 7.504 3.849 3.175 1.00 0.00 C ATOM 0 H ALA A 103 9.767 3.227 4.020 1.00 0.00 H new ATOM 0 HA ALA A 103 7.290 1.783 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.569 3.894 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.330 4.180 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.240 4.499 2.703 1.00 0.00 H new ATOM 1589 N ALA A 104 7.349 0.963 1.366 1.00 0.00 N ATOM 1590 CA ALA A 104 7.410 0.391 0.027 1.00 0.00 C ATOM 1591 C ALA A 104 7.650 1.472 -1.022 1.00 0.00 C ATOM 1592 O ALA A 104 7.139 2.588 -0.925 1.00 0.00 O ATOM 1593 CB ALA A 104 6.129 -0.370 -0.281 1.00 0.00 C ATOM 0 H ALA A 104 6.611 0.578 1.956 1.00 0.00 H new ATOM 0 HA ALA A 104 8.249 -0.304 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.189 -0.792 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.000 -1.174 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.279 0.310 -0.223 1.00 0.00 H new ATOM 1599 N PRO A 105 8.446 1.137 -2.048 1.00 0.00 N ATOM 1600 CA PRO A 105 8.771 2.066 -3.134 1.00 0.00 C ATOM 1601 C PRO A 105 7.572 2.353 -4.030 1.00 0.00 C ATOM 1602 O PRO A 105 6.742 1.477 -4.274 1.00 0.00 O ATOM 1603 CB PRO A 105 9.861 1.329 -3.917 1.00 0.00 C ATOM 1604 CG PRO A 105 9.621 -0.114 -3.632 1.00 0.00 C ATOM 1605 CD PRO A 105 9.089 -0.176 -2.227 1.00 0.00 C ATOM 0 HA PRO A 105 9.083 3.040 -2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.792 1.539 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.856 1.636 -3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.907 -0.538 -4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.542 -0.689 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.378 -0.992 -2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.887 -0.335 -1.502 1.00 0.00 H new ATOM 1613 N LYS A 106 7.487 3.585 -4.520 1.00 0.00 N ATOM 1614 CA LYS A 106 6.390 3.988 -5.392 1.00 0.00 C ATOM 1615 C LYS A 106 6.413 3.197 -6.696 1.00 0.00 C ATOM 1616 O LYS A 106 5.371 2.961 -7.309 1.00 0.00 O ATOM 1617 CB LYS A 106 6.472 5.486 -5.691 1.00 0.00 C ATOM 1618 CG LYS A 106 7.662 5.870 -6.555 1.00 0.00 C ATOM 1619 CD LYS A 106 7.322 5.797 -8.034 1.00 0.00 C ATOM 1620 CE LYS A 106 8.465 6.316 -8.894 1.00 0.00 C ATOM 1621 NZ LYS A 106 9.522 5.286 -9.092 1.00 0.00 N ATOM 0 H LYS A 106 8.165 4.322 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 106 5.453 3.778 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.555 5.799 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.525 6.033 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.984 6.881 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.499 5.206 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.099 4.766 -8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.423 6.380 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.077 6.629 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.901 7.198 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.405 5.747 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.683 4.777 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.218 4.613 -9.824 1.00 0.00 H new ATOM 1635 N SER A 107 7.606 2.788 -7.114 1.00 0.00 N ATOM 1636 CA SER A 107 7.764 2.025 -8.347 1.00 0.00 C ATOM 1637 C SER A 107 6.791 0.851 -8.388 1.00 0.00 C ATOM 1638 O SER A 107 6.178 0.573 -9.419 1.00 0.00 O ATOM 1639 CB SER A 107 9.201 1.516 -8.475 1.00 0.00 C ATOM 1640 OG SER A 107 9.612 0.846 -7.296 1.00 0.00 O ATOM 0 H SER A 107 8.478 2.972 -6.617 1.00 0.00 H new ATOM 0 HA SER A 107 7.544 2.686 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.276 0.839 -9.326 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.870 2.353 -8.673 1.00 0.00 H new ATOM 0 HG SER A 107 10.533 0.529 -7.404 1.00 0.00 H new ATOM 1646 N LEU A 108 6.654 0.165 -7.259 1.00 0.00 N ATOM 1647 CA LEU A 108 5.755 -0.981 -7.163 1.00 0.00 C ATOM 1648 C LEU A 108 4.361 -0.622 -7.666 1.00 0.00 C ATOM 1649 O LEU A 108 3.656 -1.461 -8.226 1.00 0.00 O ATOM 1650 CB LEU A 108 5.678 -1.474 -5.718 1.00 0.00 C ATOM 1651 CG LEU A 108 6.870 -2.294 -5.223 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.834 -2.427 -3.708 1.00 0.00 C ATOM 1653 CD2 LEU A 108 6.883 -3.666 -5.881 1.00 0.00 C ATOM 0 H LEU A 108 7.154 0.382 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 108 6.153 -1.778 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.562 -0.608 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.777 -2.078 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 108 7.786 -1.772 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.690 -3.014 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.874 -1.436 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.913 -2.926 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.738 -4.236 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.963 -4.196 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.958 -3.550 -6.962 1.00 0.00 H new ATOM 1665 N PHE A 109 3.969 0.632 -7.464 1.00 0.00 N ATOM 1666 CA PHE A 109 2.659 1.103 -7.898 1.00 0.00 C ATOM 1667 C PHE A 109 2.794 2.117 -9.031 1.00 0.00 C ATOM 1668 O PHE A 109 2.111 3.140 -9.045 1.00 0.00 O ATOM 1669 CB PHE A 109 1.905 1.731 -6.724 1.00 0.00 C ATOM 1670 CG PHE A 109 2.064 0.975 -5.436 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.219 1.102 -4.681 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.059 0.138 -4.980 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.368 0.407 -3.496 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.203 -0.560 -3.796 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.358 -0.424 -3.052 1.00 0.00 C ATOM 0 H PHE A 109 4.540 1.340 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 109 2.096 0.246 -8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.256 2.753 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.845 1.790 -6.973 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.012 1.751 -5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.152 0.030 -5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.274 0.514 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.413 -1.211 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.472 -0.966 -2.125 1.00 0.00 H new ATOM 1685 N GLU A 110 3.678 1.822 -9.978 1.00 0.00 N ATOM 1686 CA GLU A 110 3.903 2.708 -11.115 1.00 0.00 C ATOM 1687 C GLU A 110 2.973 2.355 -12.272 1.00 0.00 C ATOM 1688 O GLU A 110 3.341 2.483 -13.439 1.00 0.00 O ATOM 1689 CB GLU A 110 5.360 2.626 -11.574 1.00 0.00 C ATOM 1690 CG GLU A 110 5.766 3.745 -12.517 1.00 0.00 C ATOM 1691 CD GLU A 110 6.304 4.959 -11.786 1.00 0.00 C ATOM 1692 OE1 GLU A 110 7.227 4.795 -10.962 1.00 0.00 O ATOM 1693 OE2 GLU A 110 5.801 6.074 -12.038 1.00 0.00 O ATOM 0 H GLU A 110 4.250 0.977 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 110 3.687 3.728 -10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.009 2.647 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.523 1.669 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.525 3.376 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.905 4.039 -13.117 1.00 0.00 H new ATOM 1700 N ASN A 111 1.767 1.908 -11.939 1.00 0.00 N ATOM 1701 CA ASN A 111 0.784 1.535 -12.949 1.00 0.00 C ATOM 1702 C ASN A 111 -0.390 2.510 -12.953 1.00 0.00 C ATOM 1703 O ASN A 111 -0.722 3.091 -13.986 1.00 0.00 O ATOM 1704 CB ASN A 111 0.279 0.113 -12.699 1.00 0.00 C ATOM 1705 CG ASN A 111 1.367 -0.928 -12.880 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.324 -0.949 -11.960 1.00 0.00 O flip ATOM 1707 ND2 ASN A 111 1.347 -1.703 -13.836 1.00 0.00 N flip ATOM 0 H ASN A 111 1.447 1.795 -10.977 1.00 0.00 H new ATOM 0 HA ASN A 111 1.270 1.575 -13.924 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.120 0.045 -11.687 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.543 -0.103 -13.381 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.591 -1.651 -14.519 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.086 -2.398 -13.945 1.00 0.00 H new