USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 685 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 61 GLN :FLIP amide:sc= 0.0444 F(o=-0.48,f=0.17) USER MOD Set 1.2: A 63 TYR OH : rot -117:sc= 0.125 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.6!) USER MOD Set 3.1: A 25 GLN : amide:sc= -6.89! C(o=-6.9!,f=-10!) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= 0.172! (180deg=-0.477!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.202 K(o=-0.2,f=-2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 46 MET CE :methyl 155:sc= -3.99! (180deg=-4.81!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -3.55 F(o=-5!,f=-3.5) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0017 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.7!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.564 F(o=-1.3,f=-0.56) USER MOD Single : A 69 HIS : no HD1:sc= -0.415 K(o=-0.41,f=-1.8) USER MOD Single : A 72 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-2.2!) USER MOD Single : A 73 CYS SG : rot -140:sc= -2.59! USER MOD Single : A 74 SER OG : rot 180:sc=7.56e-05 USER MOD Single : A 75 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.4) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.942! C(o=-1.7!,f=-0.94!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS :FLIP no HE2:sc= -0.0157 F(o=-0.8,f=-0.016) USER MOD Single : A 96 TYR OH : rot 30:sc= -0.915 USER MOD Single : A 98 MET CE :methyl -175:sc= -0.0875 (180deg=-0.128) USER MOD Single : A 100 SER OG : rot 98:sc= 1.23 USER MOD Single : A 102 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -9.087 6.007 6.290 1.00 1.00 N ATOM 157 CA LEU A 23 -7.632 6.025 6.376 1.00 1.00 C ATOM 158 C LEU A 23 -7.118 4.868 7.226 1.00 1.00 C ATOM 159 O LEU A 23 -7.679 4.558 8.276 1.00 1.00 O ATOM 160 CB LEU A 23 -7.149 7.355 6.963 1.00 1.00 C ATOM 161 CG LEU A 23 -7.914 8.594 6.489 1.00 1.00 C ATOM 162 CD1 LEU A 23 -8.192 9.531 7.654 1.00 1.00 C ATOM 163 CD2 LEU A 23 -7.137 9.316 5.399 1.00 1.00 C ATOM 0 HA LEU A 23 -7.236 5.914 5.367 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -7.216 7.300 8.050 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -6.095 7.482 6.715 1.00 1.00 H new ATOM 0 HG LEU A 23 -8.869 8.269 6.075 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -8.736 10.405 7.296 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -8.790 9.013 8.403 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -7.249 9.848 8.099 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -7.696 10.194 5.074 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -6.167 9.627 5.788 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -6.990 8.646 4.552 1.00 1.00 H new ATOM 175 N VAL A 24 -6.041 4.237 6.769 1.00 1.00 N ATOM 176 CA VAL A 24 -5.446 3.121 7.497 1.00 1.00 C ATOM 177 C VAL A 24 -4.101 3.531 8.097 1.00 1.00 C ATOM 178 O VAL A 24 -3.513 4.531 7.684 1.00 1.00 O ATOM 179 CB VAL A 24 -5.260 1.871 6.603 1.00 1.00 C ATOM 180 CG1 VAL A 24 -6.434 0.920 6.780 1.00 1.00 C ATOM 181 CG2 VAL A 24 -5.095 2.253 5.135 1.00 1.00 C ATOM 0 H VAL A 24 -5.563 4.478 5.901 1.00 1.00 H new ATOM 0 HA VAL A 24 -6.138 2.857 8.297 1.00 1.00 H new ATOM 0 HB VAL A 24 -4.346 1.366 6.916 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -6.292 0.045 6.146 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -6.495 0.607 7.822 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -7.358 1.426 6.498 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -4.967 1.351 4.537 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -5.981 2.790 4.797 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -4.219 2.891 5.021 1.00 1.00 H new ATOM 191 N GLN A 25 -3.622 2.771 9.081 1.00 1.00 N ATOM 192 CA GLN A 25 -2.355 3.086 9.735 1.00 1.00 C ATOM 193 C GLN A 25 -1.281 2.046 9.429 1.00 1.00 C ATOM 194 O GLN A 25 -1.216 1.006 10.083 1.00 1.00 O ATOM 195 CB GLN A 25 -2.539 3.159 11.248 1.00 1.00 C ATOM 196 CG GLN A 25 -3.374 4.329 11.728 1.00 1.00 C ATOM 197 CD GLN A 25 -2.655 5.657 11.586 1.00 1.00 C ATOM 198 OE1 GLN A 25 -1.679 5.772 10.845 1.00 1.00 O ATOM 199 NE2 GLN A 25 -3.136 6.668 12.300 1.00 1.00 N ATOM 0 H GLN A 25 -4.089 1.938 9.440 1.00 1.00 H new ATOM 0 HA GLN A 25 -2.032 4.051 9.345 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -3.004 2.234 11.589 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -1.557 3.214 11.718 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -4.305 4.362 11.162 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -3.641 4.175 12.773 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -3.948 6.527 12.901 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -2.694 7.586 12.247 1.00 1.00 H new ATOM 208 N PRO A 26 -0.410 2.314 8.445 1.00 1.00 N ATOM 209 CA PRO A 26 0.670 1.392 8.087 1.00 1.00 C ATOM 210 C PRO A 26 1.686 1.254 9.215 1.00 1.00 C ATOM 211 O PRO A 26 2.241 2.249 9.683 1.00 1.00 O ATOM 212 CB PRO A 26 1.328 2.051 6.865 1.00 1.00 C ATOM 213 CG PRO A 26 0.343 3.067 6.390 1.00 1.00 C ATOM 214 CD PRO A 26 -0.392 3.526 7.615 1.00 1.00 C ATOM 0 HA PRO A 26 0.299 0.386 7.891 1.00 1.00 H new ATOM 0 HB2 PRO A 26 2.276 2.517 7.132 1.00 1.00 H new ATOM 0 HB3 PRO A 26 1.541 1.316 6.089 1.00 1.00 H new ATOM 0 HG2 PRO A 26 0.846 3.901 5.900 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -0.343 2.636 5.661 1.00 1.00 H new ATOM 0 HD2 PRO A 26 0.120 4.350 8.111 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -1.398 3.872 7.379 1.00 1.00 H new ATOM 222 N THR A 27 1.930 0.020 9.649 1.00 1.00 N ATOM 223 CA THR A 27 2.886 -0.237 10.724 1.00 1.00 C ATOM 224 C THR A 27 4.180 0.544 10.496 1.00 1.00 C ATOM 225 O THR A 27 4.496 0.916 9.366 1.00 1.00 O ATOM 226 CB THR A 27 3.189 -1.733 10.819 1.00 1.00 C ATOM 227 OG1 THR A 27 3.930 -2.168 9.692 1.00 1.00 O ATOM 228 CG2 THR A 27 1.946 -2.591 10.910 1.00 1.00 C ATOM 0 H THR A 27 1.481 -0.816 9.275 1.00 1.00 H new ATOM 0 HA THR A 27 2.441 0.095 11.662 1.00 1.00 H new ATOM 0 HB THR A 27 3.762 -1.853 11.738 1.00 1.00 H new ATOM 0 HG1 THR A 27 4.252 -3.081 9.845 1.00 1.00 H new ATOM 0 HG21 THR A 27 2.232 -3.641 10.975 1.00 1.00 H new ATOM 0 HG22 THR A 27 1.377 -2.315 11.798 1.00 1.00 H new ATOM 0 HG23 THR A 27 1.332 -2.437 10.023 1.00 1.00 H new ATOM 236 N PRO A 28 4.946 0.808 11.568 1.00 1.00 N ATOM 237 CA PRO A 28 6.205 1.551 11.473 1.00 1.00 C ATOM 238 C PRO A 28 7.063 1.092 10.299 1.00 1.00 C ATOM 239 O PRO A 28 7.825 1.874 9.730 1.00 1.00 O ATOM 240 CB PRO A 28 6.891 1.239 12.800 1.00 1.00 C ATOM 241 CG PRO A 28 5.769 1.016 13.756 1.00 1.00 C ATOM 242 CD PRO A 28 4.647 0.405 12.956 1.00 1.00 C ATOM 0 HA PRO A 28 6.044 2.615 11.300 1.00 1.00 H new ATOM 0 HB2 PRO A 28 7.526 0.357 12.721 1.00 1.00 H new ATOM 0 HB3 PRO A 28 7.528 2.063 13.121 1.00 1.00 H new ATOM 0 HG2 PRO A 28 6.074 0.354 14.566 1.00 1.00 H new ATOM 0 HG3 PRO A 28 5.455 1.955 14.213 1.00 1.00 H new ATOM 0 HD2 PRO A 28 4.624 -0.680 13.062 1.00 1.00 H new ATOM 0 HD3 PRO A 28 3.675 0.777 13.280 1.00 1.00 H new ATOM 250 N LEU A 29 6.928 -0.179 9.935 1.00 1.00 N ATOM 251 CA LEU A 29 7.684 -0.738 8.823 1.00 1.00 C ATOM 252 C LEU A 29 7.122 -0.241 7.495 1.00 1.00 C ATOM 253 O LEU A 29 7.830 0.385 6.705 1.00 1.00 O ATOM 254 CB LEU A 29 7.651 -2.267 8.873 1.00 1.00 C ATOM 255 CG LEU A 29 8.595 -2.980 7.899 1.00 1.00 C ATOM 256 CD1 LEU A 29 9.943 -2.275 7.833 1.00 1.00 C ATOM 257 CD2 LEU A 29 8.775 -4.433 8.308 1.00 1.00 C ATOM 0 H LEU A 29 6.302 -0.840 10.395 1.00 1.00 H new ATOM 0 HA LEU A 29 8.719 -0.408 8.908 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.895 -2.585 9.887 1.00 1.00 H new ATOM 0 HB3 LEU A 29 6.632 -2.598 8.672 1.00 1.00 H new ATOM 0 HG LEU A 29 8.148 -2.948 6.905 1.00 1.00 H new ATOM 0 HD11 LEU A 29 10.595 -2.801 7.135 1.00 1.00 H new ATOM 0 HD12 LEU A 29 9.801 -1.249 7.494 1.00 1.00 H new ATOM 0 HD13 LEU A 29 10.400 -2.270 8.823 1.00 1.00 H new ATOM 0 HD21 LEU A 29 9.448 -4.927 7.607 1.00 1.00 H new ATOM 0 HD22 LEU A 29 9.198 -4.479 9.311 1.00 1.00 H new ATOM 0 HD23 LEU A 29 7.808 -4.936 8.299 1.00 1.00 H new ATOM 269 N LEU A 30 5.839 -0.508 7.262 1.00 1.00 N ATOM 270 CA LEU A 30 5.181 -0.071 6.035 1.00 1.00 C ATOM 271 C LEU A 30 5.310 1.441 5.884 1.00 1.00 C ATOM 272 O LEU A 30 5.486 1.957 4.780 1.00 1.00 O ATOM 273 CB LEU A 30 3.705 -0.476 6.047 1.00 1.00 C ATOM 274 CG LEU A 30 2.978 -0.327 4.707 1.00 1.00 C ATOM 275 CD1 LEU A 30 3.787 -0.958 3.583 1.00 1.00 C ATOM 276 CD2 LEU A 30 1.592 -0.950 4.783 1.00 1.00 C ATOM 0 H LEU A 30 5.237 -1.023 7.905 1.00 1.00 H new ATOM 0 HA LEU A 30 5.666 -0.554 5.187 1.00 1.00 H new ATOM 0 HB2 LEU A 30 3.632 -1.515 6.368 1.00 1.00 H new ATOM 0 HB3 LEU A 30 3.186 0.125 6.793 1.00 1.00 H new ATOM 0 HG LEU A 30 2.868 0.736 4.492 1.00 1.00 H new ATOM 0 HD11 LEU A 30 3.253 -0.841 2.640 1.00 1.00 H new ATOM 0 HD12 LEU A 30 4.758 -0.467 3.513 1.00 1.00 H new ATOM 0 HD13 LEU A 30 3.931 -2.019 3.789 1.00 1.00 H new ATOM 0 HD21 LEU A 30 1.089 -0.836 3.823 1.00 1.00 H new ATOM 0 HD22 LEU A 30 1.682 -2.010 5.022 1.00 1.00 H new ATOM 0 HD23 LEU A 30 1.011 -0.451 5.559 1.00 1.00 H new ATOM 288 N LEU A 31 5.229 2.140 7.012 1.00 1.00 N ATOM 289 CA LEU A 31 5.344 3.594 7.036 1.00 1.00 C ATOM 290 C LEU A 31 6.584 4.063 6.276 1.00 1.00 C ATOM 291 O LEU A 31 6.480 4.744 5.257 1.00 1.00 O ATOM 292 CB LEU A 31 5.407 4.089 8.485 1.00 1.00 C ATOM 293 CG LEU A 31 4.156 4.812 8.984 1.00 1.00 C ATOM 294 CD1 LEU A 31 4.329 5.236 10.434 1.00 1.00 C ATOM 295 CD2 LEU A 31 3.853 6.017 8.106 1.00 1.00 C ATOM 0 H LEU A 31 5.083 1.718 7.929 1.00 1.00 H new ATOM 0 HA LEU A 31 4.465 4.011 6.545 1.00 1.00 H new ATOM 0 HB2 LEU A 31 5.597 3.235 9.135 1.00 1.00 H new ATOM 0 HB3 LEU A 31 6.259 4.761 8.585 1.00 1.00 H new ATOM 0 HG LEU A 31 3.313 4.124 8.926 1.00 1.00 H new ATOM 0 HD11 LEU A 31 3.429 5.749 10.773 1.00 1.00 H new ATOM 0 HD12 LEU A 31 4.499 4.355 11.053 1.00 1.00 H new ATOM 0 HD13 LEU A 31 5.183 5.908 10.517 1.00 1.00 H new ATOM 0 HD21 LEU A 31 2.959 6.521 8.475 1.00 1.00 H new ATOM 0 HD22 LEU A 31 4.696 6.708 8.133 1.00 1.00 H new ATOM 0 HD23 LEU A 31 3.686 5.687 7.081 1.00 1.00 H new ATOM 307 N SER A 32 7.759 3.700 6.789 1.00 1.00 N ATOM 308 CA SER A 32 9.028 4.088 6.172 1.00 1.00 C ATOM 309 C SER A 32 9.011 3.854 4.662 1.00 1.00 C ATOM 310 O SER A 32 9.489 4.689 3.895 1.00 1.00 O ATOM 311 CB SER A 32 10.184 3.313 6.806 1.00 1.00 C ATOM 312 OG SER A 32 10.768 4.048 7.868 1.00 1.00 O ATOM 0 H SER A 32 7.859 3.136 7.633 1.00 1.00 H new ATOM 0 HA SER A 32 9.169 5.155 6.347 1.00 1.00 H new ATOM 0 HB2 SER A 32 9.823 2.354 7.178 1.00 1.00 H new ATOM 0 HB3 SER A 32 10.939 3.097 6.050 1.00 1.00 H new ATOM 0 HG SER A 32 11.503 3.531 8.258 1.00 1.00 H new ATOM 318 N LEU A 33 8.452 2.726 4.229 1.00 1.00 N ATOM 319 CA LEU A 33 8.382 2.434 2.798 1.00 1.00 C ATOM 320 C LEU A 33 7.627 3.554 2.093 1.00 1.00 C ATOM 321 O LEU A 33 7.967 3.948 0.978 1.00 1.00 O ATOM 322 CB LEU A 33 7.704 1.086 2.516 1.00 1.00 C ATOM 323 CG LEU A 33 7.710 0.079 3.671 1.00 1.00 C ATOM 324 CD1 LEU A 33 7.091 -1.240 3.233 1.00 1.00 C ATOM 325 CD2 LEU A 33 9.128 -0.139 4.180 1.00 1.00 C ATOM 0 H LEU A 33 8.048 2.011 4.834 1.00 1.00 H new ATOM 0 HA LEU A 33 9.401 2.369 2.417 1.00 1.00 H new ATOM 0 HB2 LEU A 33 6.669 1.275 2.229 1.00 1.00 H new ATOM 0 HB3 LEU A 33 8.194 0.627 1.657 1.00 1.00 H new ATOM 0 HG LEU A 33 7.110 0.485 4.485 1.00 1.00 H new ATOM 0 HD11 LEU A 33 7.104 -1.943 4.066 1.00 1.00 H new ATOM 0 HD12 LEU A 33 6.062 -1.072 2.917 1.00 1.00 H new ATOM 0 HD13 LEU A 33 7.663 -1.652 2.402 1.00 1.00 H new ATOM 0 HD21 LEU A 33 9.114 -0.857 5.000 1.00 1.00 H new ATOM 0 HD22 LEU A 33 9.750 -0.524 3.372 1.00 1.00 H new ATOM 0 HD23 LEU A 33 9.537 0.807 4.533 1.00 1.00 H new ATOM 337 N LEU A 34 6.615 4.081 2.778 1.00 1.00 N ATOM 338 CA LEU A 34 5.820 5.181 2.251 1.00 1.00 C ATOM 339 C LEU A 34 6.619 6.475 2.341 1.00 1.00 C ATOM 340 O LEU A 34 6.518 7.348 1.480 1.00 1.00 O ATOM 341 CB LEU A 34 4.510 5.318 3.036 1.00 1.00 C ATOM 342 CG LEU A 34 3.677 4.040 3.132 1.00 1.00 C ATOM 343 CD1 LEU A 34 2.664 4.149 4.261 1.00 1.00 C ATOM 344 CD2 LEU A 34 2.977 3.761 1.812 1.00 1.00 C ATOM 0 H LEU A 34 6.327 3.761 3.703 1.00 1.00 H new ATOM 0 HA LEU A 34 5.578 4.976 1.208 1.00 1.00 H new ATOM 0 HB2 LEU A 34 4.743 5.659 4.045 1.00 1.00 H new ATOM 0 HB3 LEU A 34 3.904 6.094 2.569 1.00 1.00 H new ATOM 0 HG LEU A 34 4.346 3.207 3.349 1.00 1.00 H new ATOM 0 HD11 LEU A 34 2.079 3.231 4.315 1.00 1.00 H new ATOM 0 HD12 LEU A 34 3.187 4.303 5.205 1.00 1.00 H new ATOM 0 HD13 LEU A 34 1.999 4.992 4.073 1.00 1.00 H new ATOM 0 HD21 LEU A 34 2.388 2.848 1.898 1.00 1.00 H new ATOM 0 HD22 LEU A 34 2.319 4.595 1.566 1.00 1.00 H new ATOM 0 HD23 LEU A 34 3.721 3.640 1.024 1.00 1.00 H new ATOM 356 N LYS A 35 7.426 6.576 3.395 1.00 1.00 N ATOM 357 CA LYS A 35 8.266 7.746 3.621 1.00 1.00 C ATOM 358 C LYS A 35 9.163 8.005 2.415 1.00 1.00 C ATOM 359 O LYS A 35 9.445 9.152 2.070 1.00 1.00 O ATOM 360 CB LYS A 35 9.122 7.539 4.875 1.00 1.00 C ATOM 361 CG LYS A 35 8.467 8.016 6.164 1.00 1.00 C ATOM 362 CD LYS A 35 7.031 7.528 6.289 1.00 1.00 C ATOM 363 CE LYS A 35 6.287 8.266 7.389 1.00 1.00 C ATOM 364 NZ LYS A 35 6.650 7.761 8.742 1.00 1.00 N ATOM 0 H LYS A 35 7.515 5.854 4.110 1.00 1.00 H new ATOM 0 HA LYS A 35 7.622 8.613 3.765 1.00 1.00 H new ATOM 0 HB2 LYS A 35 9.356 6.479 4.970 1.00 1.00 H new ATOM 0 HB3 LYS A 35 10.068 8.064 4.746 1.00 1.00 H new ATOM 0 HG2 LYS A 35 9.046 7.662 7.017 1.00 1.00 H new ATOM 0 HG3 LYS A 35 8.484 9.105 6.198 1.00 1.00 H new ATOM 0 HD2 LYS A 35 6.514 7.669 5.340 1.00 1.00 H new ATOM 0 HD3 LYS A 35 7.026 6.458 6.499 1.00 1.00 H new ATOM 0 HE2 LYS A 35 6.511 9.331 7.327 1.00 1.00 H new ATOM 0 HE3 LYS A 35 5.213 8.157 7.237 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 5.852 7.906 9.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 6.871 6.746 8.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 7.482 8.277 9.094 1.00 1.00 H new ATOM 378 N SER A 36 9.603 6.926 1.775 1.00 1.00 N ATOM 379 CA SER A 36 10.463 7.028 0.602 1.00 1.00 C ATOM 380 C SER A 36 9.636 7.014 -0.682 1.00 1.00 C ATOM 381 O SER A 36 10.087 7.483 -1.727 1.00 1.00 O ATOM 382 CB SER A 36 11.476 5.880 0.586 1.00 1.00 C ATOM 383 OG SER A 36 12.802 6.372 0.505 1.00 1.00 O ATOM 0 H SER A 36 9.378 5.970 2.050 1.00 1.00 H new ATOM 0 HA SER A 36 11.000 7.975 0.655 1.00 1.00 H new ATOM 0 HB2 SER A 36 11.362 5.278 1.488 1.00 1.00 H new ATOM 0 HB3 SER A 36 11.275 5.225 -0.262 1.00 1.00 H new ATOM 0 HG SER A 36 13.430 5.620 0.498 1.00 1.00 H new ATOM 389 N ALA A 37 8.422 6.474 -0.595 1.00 1.00 N ATOM 390 CA ALA A 37 7.534 6.402 -1.749 1.00 1.00 C ATOM 391 C ALA A 37 6.914 7.763 -2.066 1.00 1.00 C ATOM 392 O ALA A 37 6.213 7.914 -3.067 1.00 1.00 O ATOM 393 CB ALA A 37 6.445 5.364 -1.510 1.00 1.00 C ATOM 0 H ALA A 37 8.033 6.081 0.262 1.00 1.00 H new ATOM 0 HA ALA A 37 8.129 6.102 -2.611 1.00 1.00 H new ATOM 0 HB1 ALA A 37 5.788 5.319 -2.379 1.00 1.00 H new ATOM 0 HB2 ALA A 37 6.902 4.387 -1.350 1.00 1.00 H new ATOM 0 HB3 ALA A 37 5.865 5.642 -0.630 1.00 1.00 H new ATOM 399 N GLY A 38 7.171 8.752 -1.211 1.00 1.00 N ATOM 400 CA GLY A 38 6.623 10.079 -1.428 1.00 1.00 C ATOM 401 C GLY A 38 5.500 10.400 -0.465 1.00 1.00 C ATOM 402 O GLY A 38 4.511 11.031 -0.838 1.00 1.00 O ATOM 0 H GLY A 38 7.747 8.657 -0.375 1.00 1.00 H new ATOM 0 HA2 GLY A 38 7.415 10.819 -1.319 1.00 1.00 H new ATOM 0 HA3 GLY A 38 6.255 10.155 -2.451 1.00 1.00 H new ATOM 406 N ALA A 39 5.649 9.953 0.778 1.00 1.00 N ATOM 407 CA ALA A 39 4.638 10.183 1.802 1.00 1.00 C ATOM 408 C ALA A 39 5.177 11.080 2.924 1.00 1.00 C ATOM 409 O ALA A 39 6.366 11.033 3.237 1.00 1.00 O ATOM 410 CB ALA A 39 4.167 8.858 2.372 1.00 1.00 C ATOM 0 H ALA A 39 6.462 9.428 1.100 1.00 1.00 H new ATOM 0 HA ALA A 39 3.795 10.695 1.338 1.00 1.00 H new ATOM 0 HB1 ALA A 39 3.412 9.039 3.137 1.00 1.00 H new ATOM 0 HB2 ALA A 39 3.738 8.251 1.575 1.00 1.00 H new ATOM 0 HB3 ALA A 39 5.012 8.331 2.815 1.00 1.00 H new ATOM 416 N GLN A 40 4.306 11.894 3.532 1.00 1.00 N ATOM 417 CA GLN A 40 4.725 12.782 4.612 1.00 1.00 C ATOM 418 C GLN A 40 4.000 12.445 5.914 1.00 1.00 C ATOM 419 O GLN A 40 4.620 12.341 6.972 1.00 1.00 O ATOM 420 CB GLN A 40 4.461 14.240 4.232 1.00 1.00 C ATOM 421 CG GLN A 40 5.620 14.897 3.500 1.00 1.00 C ATOM 422 CD GLN A 40 5.498 14.782 1.993 1.00 1.00 C ATOM 423 OE1 GLN A 40 4.401 14.625 1.458 1.00 1.00 O ATOM 424 NE2 GLN A 40 6.628 14.859 1.301 1.00 1.00 N ATOM 0 H GLN A 40 3.316 11.953 3.294 1.00 1.00 H new ATOM 0 HA GLN A 40 5.794 12.640 4.768 1.00 1.00 H new ATOM 0 HB2 GLN A 40 3.571 14.288 3.604 1.00 1.00 H new ATOM 0 HB3 GLN A 40 4.244 14.809 5.136 1.00 1.00 H new ATOM 0 HG2 GLN A 40 5.670 15.950 3.777 1.00 1.00 H new ATOM 0 HG3 GLN A 40 6.555 14.438 3.821 1.00 1.00 H new ATOM 0 HE21 GLN A 40 7.515 14.990 1.787 1.00 1.00 H new ATOM 0 HE22 GLN A 40 6.609 14.788 0.284 1.00 1.00 H new ATOM 433 N LYS A 41 2.683 12.279 5.829 1.00 1.00 N ATOM 434 CA LYS A 41 1.872 11.958 7.001 1.00 1.00 C ATOM 435 C LYS A 41 2.143 10.537 7.486 1.00 1.00 C ATOM 436 O LYS A 41 2.958 9.817 6.911 1.00 1.00 O ATOM 437 CB LYS A 41 0.384 12.122 6.683 1.00 1.00 C ATOM 438 CG LYS A 41 -0.054 11.390 5.425 1.00 1.00 C ATOM 439 CD LYS A 41 -0.142 12.331 4.234 1.00 1.00 C ATOM 440 CE LYS A 41 -1.355 12.024 3.370 1.00 1.00 C ATOM 441 NZ LYS A 41 -1.591 13.080 2.347 1.00 1.00 N ATOM 0 H LYS A 41 2.154 12.361 4.961 1.00 1.00 H new ATOM 0 HA LYS A 41 2.147 12.652 7.795 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -0.202 11.758 7.527 1.00 1.00 H new ATOM 0 HB3 LYS A 41 0.159 13.183 6.573 1.00 1.00 H new ATOM 0 HG2 LYS A 41 0.651 10.588 5.205 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -1.025 10.923 5.594 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -0.196 13.361 4.586 1.00 1.00 H new ATOM 0 HD3 LYS A 41 0.764 12.246 3.634 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -1.214 11.064 2.874 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -2.237 11.929 4.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -2.427 12.833 1.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -1.751 13.992 2.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -0.760 13.154 1.726 1.00 1.00 H new ATOM 455 N GLU A 42 1.452 10.142 8.552 1.00 1.00 N ATOM 456 CA GLU A 42 1.614 8.808 9.120 1.00 1.00 C ATOM 457 C GLU A 42 0.462 7.895 8.711 1.00 1.00 C ATOM 458 O GLU A 42 0.627 6.680 8.609 1.00 1.00 O ATOM 459 CB GLU A 42 1.698 8.889 10.645 1.00 1.00 C ATOM 460 CG GLU A 42 2.878 9.705 11.147 1.00 1.00 C ATOM 461 CD GLU A 42 4.104 8.854 11.414 1.00 1.00 C ATOM 462 OE1 GLU A 42 4.127 8.156 12.449 1.00 1.00 O ATOM 463 OE2 GLU A 42 5.039 8.885 10.587 1.00 1.00 O ATOM 0 H GLU A 42 0.774 10.728 9.040 1.00 1.00 H new ATOM 0 HA GLU A 42 2.541 8.386 8.732 1.00 1.00 H new ATOM 0 HB2 GLU A 42 0.776 9.325 11.029 1.00 1.00 H new ATOM 0 HB3 GLU A 42 1.766 7.880 11.051 1.00 1.00 H new ATOM 0 HG2 GLU A 42 3.125 10.470 10.411 1.00 1.00 H new ATOM 0 HG3 GLU A 42 2.593 10.223 12.063 1.00 1.00 H new ATOM 470 N THR A 43 -0.706 8.487 8.476 1.00 1.00 N ATOM 471 CA THR A 43 -1.882 7.720 8.076 1.00 1.00 C ATOM 472 C THR A 43 -2.137 7.863 6.580 1.00 1.00 C ATOM 473 O THR A 43 -1.771 8.869 5.972 1.00 1.00 O ATOM 474 CB THR A 43 -3.113 8.177 8.859 1.00 1.00 C ATOM 475 OG1 THR A 43 -2.735 8.904 10.015 1.00 1.00 O ATOM 476 CG2 THR A 43 -3.996 7.031 9.305 1.00 1.00 C ATOM 0 H THR A 43 -0.863 9.492 8.555 1.00 1.00 H new ATOM 0 HA THR A 43 -1.691 6.670 8.299 1.00 1.00 H new ATOM 0 HB THR A 43 -3.677 8.804 8.168 1.00 1.00 H new ATOM 0 HG1 THR A 43 -3.538 9.188 10.500 1.00 1.00 H new ATOM 0 HG21 THR A 43 -4.851 7.423 9.855 1.00 1.00 H new ATOM 0 HG22 THR A 43 -4.347 6.481 8.432 1.00 1.00 H new ATOM 0 HG23 THR A 43 -3.426 6.362 9.950 1.00 1.00 H new ATOM 484 N PHE A 44 -2.763 6.850 5.991 1.00 1.00 N ATOM 485 CA PHE A 44 -3.061 6.866 4.564 1.00 1.00 C ATOM 486 C PHE A 44 -4.259 5.983 4.242 1.00 1.00 C ATOM 487 O PHE A 44 -4.441 4.926 4.845 1.00 1.00 O ATOM 488 CB PHE A 44 -1.854 6.376 3.764 1.00 1.00 C ATOM 489 CG PHE A 44 -0.567 7.063 4.106 1.00 1.00 C ATOM 490 CD1 PHE A 44 0.183 6.652 5.195 1.00 1.00 C ATOM 491 CD2 PHE A 44 -0.101 8.111 3.331 1.00 1.00 C ATOM 492 CE1 PHE A 44 1.375 7.274 5.506 1.00 1.00 C ATOM 493 CE2 PHE A 44 1.089 8.738 3.639 1.00 1.00 C ATOM 494 CZ PHE A 44 1.828 8.319 4.728 1.00 1.00 C ATOM 0 H PHE A 44 -3.073 6.009 6.478 1.00 1.00 H new ATOM 0 HA PHE A 44 -3.295 7.894 4.289 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -1.735 5.305 3.928 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -2.056 6.516 2.702 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -0.169 5.835 5.808 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -0.674 8.441 2.477 1.00 1.00 H new ATOM 0 HE1 PHE A 44 1.952 6.943 6.357 1.00 1.00 H new ATOM 0 HE2 PHE A 44 1.442 9.556 3.029 1.00 1.00 H new ATOM 0 HZ PHE A 44 2.759 8.809 4.970 1.00 1.00 H new ATOM 504 N THR A 45 -5.058 6.408 3.270 1.00 1.00 N ATOM 505 CA THR A 45 -6.218 5.635 2.853 1.00 1.00 C ATOM 506 C THR A 45 -5.773 4.486 1.960 1.00 1.00 C ATOM 507 O THR A 45 -4.742 4.575 1.293 1.00 1.00 O ATOM 508 CB THR A 45 -7.222 6.521 2.113 1.00 1.00 C ATOM 509 OG1 THR A 45 -6.613 7.146 0.997 1.00 1.00 O ATOM 510 CG2 THR A 45 -7.816 7.610 2.981 1.00 1.00 C ATOM 0 H THR A 45 -4.923 7.280 2.759 1.00 1.00 H new ATOM 0 HA THR A 45 -6.708 5.233 3.740 1.00 1.00 H new ATOM 0 HB THR A 45 -8.023 5.850 1.802 1.00 1.00 H new ATOM 0 HG1 THR A 45 -7.272 7.707 0.536 1.00 1.00 H new ATOM 0 HG21 THR A 45 -8.519 8.201 2.394 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.338 7.159 3.825 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.019 8.256 3.350 1.00 1.00 H new ATOM 518 N MET A 46 -6.541 3.402 1.958 1.00 1.00 N ATOM 519 CA MET A 46 -6.211 2.233 1.156 1.00 1.00 C ATOM 520 C MET A 46 -5.776 2.617 -0.257 1.00 1.00 C ATOM 521 O MET A 46 -4.989 1.910 -0.884 1.00 1.00 O ATOM 522 CB MET A 46 -7.400 1.276 1.108 1.00 1.00 C ATOM 523 CG MET A 46 -7.032 -0.135 1.517 1.00 1.00 C ATOM 524 SD MET A 46 -6.818 -0.316 3.296 1.00 1.00 S ATOM 525 CE MET A 46 -5.105 -0.839 3.355 1.00 1.00 C ATOM 0 H MET A 46 -7.397 3.310 2.504 1.00 1.00 H new ATOM 0 HA MET A 46 -5.367 1.732 1.631 1.00 1.00 H new ATOM 0 HB2 MET A 46 -8.186 1.647 1.765 1.00 1.00 H new ATOM 0 HB3 MET A 46 -7.809 1.262 0.098 1.00 1.00 H new ATOM 0 HG2 MET A 46 -7.809 -0.820 1.178 1.00 1.00 H new ATOM 0 HG3 MET A 46 -6.110 -0.425 1.014 1.00 1.00 H new ATOM 0 HE1 MET A 46 -4.678 -0.577 4.323 1.00 1.00 H new ATOM 0 HE2 MET A 46 -5.049 -1.918 3.214 1.00 1.00 H new ATOM 0 HE3 MET A 46 -4.545 -0.340 2.564 1.00 1.00 H new ATOM 535 N LYS A 47 -6.282 3.741 -0.753 1.00 1.00 N ATOM 536 CA LYS A 47 -5.925 4.207 -2.088 1.00 1.00 C ATOM 537 C LYS A 47 -4.506 4.767 -2.100 1.00 1.00 C ATOM 538 O LYS A 47 -3.692 4.399 -2.947 1.00 1.00 O ATOM 539 CB LYS A 47 -6.914 5.271 -2.567 1.00 1.00 C ATOM 540 CG LYS A 47 -8.272 4.711 -2.964 1.00 1.00 C ATOM 541 CD LYS A 47 -8.160 3.697 -4.096 1.00 1.00 C ATOM 542 CE LYS A 47 -7.336 4.236 -5.257 1.00 1.00 C ATOM 543 NZ LYS A 47 -7.642 3.531 -6.533 1.00 1.00 N ATOM 0 H LYS A 47 -6.937 4.343 -0.254 1.00 1.00 H new ATOM 0 HA LYS A 47 -5.969 3.356 -2.768 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -7.052 6.008 -1.776 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -6.484 5.796 -3.420 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -8.737 4.239 -2.099 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -8.926 5.527 -3.271 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -7.703 2.781 -3.720 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -9.157 3.434 -4.449 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -7.531 5.302 -5.376 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -6.275 4.129 -5.029 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -7.060 3.928 -7.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -7.432 2.518 -6.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.648 3.654 -6.765 1.00 1.00 H new ATOM 557 N GLU A 48 -4.211 5.650 -1.149 1.00 1.00 N ATOM 558 CA GLU A 48 -2.882 6.245 -1.054 1.00 1.00 C ATOM 559 C GLU A 48 -1.855 5.187 -0.672 1.00 1.00 C ATOM 560 O GLU A 48 -0.792 5.091 -1.283 1.00 1.00 O ATOM 561 CB GLU A 48 -2.867 7.379 -0.027 1.00 1.00 C ATOM 562 CG GLU A 48 -4.092 8.278 -0.089 1.00 1.00 C ATOM 563 CD GLU A 48 -3.735 9.741 -0.270 1.00 1.00 C ATOM 564 OE1 GLU A 48 -2.800 10.212 0.411 1.00 1.00 O ATOM 565 OE2 GLU A 48 -4.390 10.414 -1.093 1.00 1.00 O ATOM 0 H GLU A 48 -4.870 5.967 -0.438 1.00 1.00 H new ATOM 0 HA GLU A 48 -2.624 6.656 -2.030 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -2.792 6.951 0.973 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -1.974 7.985 -0.182 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -4.730 7.959 -0.913 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -4.671 8.160 0.827 1.00 1.00 H new ATOM 572 N VAL A 49 -2.187 4.383 0.335 1.00 1.00 N ATOM 573 CA VAL A 49 -1.295 3.320 0.788 1.00 1.00 C ATOM 574 C VAL A 49 -0.880 2.441 -0.383 1.00 1.00 C ATOM 575 O VAL A 49 0.300 2.352 -0.724 1.00 1.00 O ATOM 576 CB VAL A 49 -1.959 2.433 1.861 1.00 1.00 C ATOM 577 CG1 VAL A 49 -0.931 1.512 2.501 1.00 1.00 C ATOM 578 CG2 VAL A 49 -2.654 3.283 2.917 1.00 1.00 C ATOM 0 H VAL A 49 -3.064 4.447 0.851 1.00 1.00 H new ATOM 0 HA VAL A 49 -0.421 3.803 1.225 1.00 1.00 H new ATOM 0 HB VAL A 49 -2.716 1.818 1.374 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -1.417 0.893 3.256 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -0.490 0.872 1.737 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -0.149 2.109 2.970 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -3.114 2.634 3.662 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -1.923 3.930 3.402 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -3.423 3.894 2.444 1.00 1.00 H new ATOM 588 N LEU A 50 -1.866 1.803 -1.000 1.00 1.00 N ATOM 589 CA LEU A 50 -1.622 0.935 -2.144 1.00 1.00 C ATOM 590 C LEU A 50 -0.948 1.703 -3.280 1.00 1.00 C ATOM 591 O LEU A 50 -0.274 1.115 -4.125 1.00 1.00 O ATOM 592 CB LEU A 50 -2.942 0.332 -2.629 1.00 1.00 C ATOM 593 CG LEU A 50 -2.888 -1.157 -2.963 1.00 1.00 C ATOM 594 CD1 LEU A 50 -4.260 -1.661 -3.382 1.00 1.00 C ATOM 595 CD2 LEU A 50 -1.863 -1.424 -4.053 1.00 1.00 C ATOM 0 H LEU A 50 -2.846 1.871 -0.726 1.00 1.00 H new ATOM 0 HA LEU A 50 -0.952 0.134 -1.831 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.700 0.489 -1.861 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.269 0.876 -3.515 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.583 -1.699 -2.067 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.201 -2.724 -3.616 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -4.968 -1.507 -2.568 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.595 -1.114 -4.263 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.839 -2.490 -4.277 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.135 -0.870 -4.952 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.878 -1.103 -3.713 1.00 1.00 H new ATOM 607 N TYR A 51 -1.140 3.019 -3.296 1.00 1.00 N ATOM 608 CA TYR A 51 -0.555 3.866 -4.332 1.00 1.00 C ATOM 609 C TYR A 51 0.956 4.008 -4.150 1.00 1.00 C ATOM 610 O TYR A 51 1.730 3.666 -5.047 1.00 1.00 O ATOM 611 CB TYR A 51 -1.220 5.245 -4.335 1.00 1.00 C ATOM 612 CG TYR A 51 -0.668 6.184 -5.384 1.00 1.00 C ATOM 613 CD1 TYR A 51 0.419 7.004 -5.107 1.00 1.00 C ATOM 614 CD2 TYR A 51 -1.234 6.251 -6.651 1.00 1.00 C ATOM 615 CE1 TYR A 51 0.926 7.863 -6.063 1.00 1.00 C ATOM 616 CE2 TYR A 51 -0.733 7.108 -7.612 1.00 1.00 C ATOM 617 CZ TYR A 51 0.347 7.912 -7.314 1.00 1.00 C ATOM 618 OH TYR A 51 0.849 8.766 -8.268 1.00 1.00 O ATOM 0 H TYR A 51 -1.696 3.522 -2.604 1.00 1.00 H new ATOM 0 HA TYR A 51 -0.734 3.385 -5.294 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -2.291 5.122 -4.498 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -1.097 5.700 -3.352 1.00 1.00 H new ATOM 0 HD1 TYR A 51 0.875 6.969 -4.129 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -2.080 5.623 -6.889 1.00 1.00 H new ATOM 0 HE1 TYR A 51 1.772 8.493 -5.832 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -1.185 7.148 -8.592 1.00 1.00 H new ATOM 0 HH TYR A 51 0.328 8.677 -9.093 1.00 1.00 H new ATOM 628 N HIS A 52 1.382 4.510 -2.990 1.00 1.00 N ATOM 629 CA HIS A 52 2.808 4.682 -2.727 1.00 1.00 C ATOM 630 C HIS A 52 3.546 3.366 -2.939 1.00 1.00 C ATOM 631 O HIS A 52 4.625 3.340 -3.529 1.00 1.00 O ATOM 632 CB HIS A 52 3.062 5.201 -1.308 1.00 1.00 C ATOM 633 CG HIS A 52 2.071 6.222 -0.842 1.00 1.00 C ATOM 634 ND1 HIS A 52 1.178 6.193 0.176 1.00 1.00 N flip ATOM 635 CD2 HIS A 52 1.931 7.459 -1.435 1.00 1.00 C flip ATOM 636 CE1 HIS A 52 0.524 7.400 0.179 1.00 1.00 C flip ATOM 637 NE2 HIS A 52 0.997 8.146 -0.803 1.00 1.00 N flip ATOM 0 H HIS A 52 0.769 4.800 -2.229 1.00 1.00 H new ATOM 0 HA HIS A 52 3.186 5.425 -3.429 1.00 1.00 H new ATOM 0 HB2 HIS A 52 3.050 4.358 -0.617 1.00 1.00 H new ATOM 0 HB3 HIS A 52 4.061 5.635 -1.265 1.00 1.00 H new ATOM 0 HD2 HIS A 52 2.497 7.811 -2.284 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -0.251 7.692 0.872 1.00 1.00 H new ATOM 0 HE2 HIS A 52 0.693 9.092 -1.034 1.00 1.00 H new ATOM 646 N LEU A 53 2.951 2.272 -2.465 1.00 1.00 N ATOM 647 CA LEU A 53 3.541 0.954 -2.612 1.00 1.00 C ATOM 648 C LEU A 53 4.006 0.726 -4.046 1.00 1.00 C ATOM 649 O LEU A 53 5.153 0.345 -4.282 1.00 1.00 O ATOM 650 CB LEU A 53 2.525 -0.109 -2.204 1.00 1.00 C ATOM 651 CG LEU A 53 2.939 -0.953 -1.005 1.00 1.00 C ATOM 652 CD1 LEU A 53 3.397 -0.071 0.146 1.00 1.00 C ATOM 653 CD2 LEU A 53 1.801 -1.864 -0.570 1.00 1.00 C ATOM 0 H LEU A 53 2.057 2.279 -1.975 1.00 1.00 H new ATOM 0 HA LEU A 53 4.413 0.884 -1.962 1.00 1.00 H new ATOM 0 HB2 LEU A 53 1.578 0.380 -1.978 1.00 1.00 H new ATOM 0 HB3 LEU A 53 2.348 -0.769 -3.053 1.00 1.00 H new ATOM 0 HG LEU A 53 3.780 -1.579 -1.304 1.00 1.00 H new ATOM 0 HD11 LEU A 53 3.687 -0.696 0.990 1.00 1.00 H new ATOM 0 HD12 LEU A 53 4.250 0.528 -0.172 1.00 1.00 H new ATOM 0 HD13 LEU A 53 2.582 0.588 0.446 1.00 1.00 H new ATOM 0 HD21 LEU A 53 2.118 -2.458 0.287 1.00 1.00 H new ATOM 0 HD22 LEU A 53 0.937 -1.260 -0.294 1.00 1.00 H new ATOM 0 HD23 LEU A 53 1.532 -2.528 -1.392 1.00 1.00 H new ATOM 665 N GLY A 54 3.117 0.983 -5.002 1.00 1.00 N ATOM 666 CA GLY A 54 3.473 0.818 -6.398 1.00 1.00 C ATOM 667 C GLY A 54 4.724 1.599 -6.740 1.00 1.00 C ATOM 668 O GLY A 54 5.561 1.145 -7.520 1.00 1.00 O ATOM 0 H GLY A 54 2.162 1.301 -4.835 1.00 1.00 H new ATOM 0 HA2 GLY A 54 3.631 -0.239 -6.613 1.00 1.00 H new ATOM 0 HA3 GLY A 54 2.649 1.152 -7.028 1.00 1.00 H new ATOM 672 N GLN A 55 4.853 2.774 -6.132 1.00 1.00 N ATOM 673 CA GLN A 55 6.015 3.625 -6.348 1.00 1.00 C ATOM 674 C GLN A 55 7.189 3.146 -5.497 1.00 1.00 C ATOM 675 O GLN A 55 8.351 3.323 -5.864 1.00 1.00 O ATOM 676 CB GLN A 55 5.682 5.079 -6.008 1.00 1.00 C ATOM 677 CG GLN A 55 4.624 5.688 -6.914 1.00 1.00 C ATOM 678 CD GLN A 55 4.936 7.123 -7.291 1.00 1.00 C ATOM 679 OE1 GLN A 55 5.950 7.681 -6.872 1.00 1.00 O ATOM 680 NE2 GLN A 55 4.062 7.729 -8.086 1.00 1.00 N ATOM 0 H GLN A 55 4.165 3.158 -5.485 1.00 1.00 H new ATOM 0 HA GLN A 55 6.295 3.566 -7.400 1.00 1.00 H new ATOM 0 HB2 GLN A 55 5.338 5.132 -4.975 1.00 1.00 H new ATOM 0 HB3 GLN A 55 6.592 5.676 -6.073 1.00 1.00 H new ATOM 0 HG2 GLN A 55 4.538 5.088 -7.820 1.00 1.00 H new ATOM 0 HG3 GLN A 55 3.656 5.650 -6.414 1.00 1.00 H new ATOM 0 HE21 GLN A 55 3.235 7.228 -8.410 1.00 1.00 H new ATOM 0 HE22 GLN A 55 4.218 8.695 -8.373 1.00 1.00 H new ATOM 689 N TYR A 56 6.872 2.532 -4.359 1.00 1.00 N ATOM 690 CA TYR A 56 7.889 2.018 -3.450 1.00 1.00 C ATOM 691 C TYR A 56 8.653 0.864 -4.096 1.00 1.00 C ATOM 692 O TYR A 56 9.883 0.837 -4.088 1.00 1.00 O ATOM 693 CB TYR A 56 7.242 1.553 -2.137 1.00 1.00 C ATOM 694 CG TYR A 56 8.175 0.772 -1.238 1.00 1.00 C ATOM 695 CD1 TYR A 56 9.210 1.405 -0.563 1.00 1.00 C ATOM 696 CD2 TYR A 56 8.032 -0.601 -1.082 1.00 1.00 C ATOM 697 CE1 TYR A 56 10.078 0.694 0.242 1.00 1.00 C ATOM 698 CE2 TYR A 56 8.893 -1.320 -0.273 1.00 1.00 C ATOM 699 CZ TYR A 56 9.916 -0.668 0.385 1.00 1.00 C ATOM 700 OH TYR A 56 10.778 -1.380 1.186 1.00 1.00 O ATOM 0 H TYR A 56 5.914 2.379 -4.045 1.00 1.00 H new ATOM 0 HA TYR A 56 8.593 2.821 -3.232 1.00 1.00 H new ATOM 0 HB2 TYR A 56 6.876 2.425 -1.595 1.00 1.00 H new ATOM 0 HB3 TYR A 56 6.375 0.935 -2.369 1.00 1.00 H new ATOM 0 HD1 TYR A 56 9.339 2.472 -0.669 1.00 1.00 H new ATOM 0 HD2 TYR A 56 7.236 -1.115 -1.601 1.00 1.00 H new ATOM 0 HE1 TYR A 56 10.880 1.202 0.757 1.00 1.00 H new ATOM 0 HE2 TYR A 56 8.765 -2.386 -0.157 1.00 1.00 H new ATOM 0 HH TYR A 56 10.525 -2.327 1.179 1.00 1.00 H new ATOM 710 N ILE A 57 7.911 -0.087 -4.654 1.00 1.00 N ATOM 711 CA ILE A 57 8.513 -1.245 -5.305 1.00 1.00 C ATOM 712 C ILE A 57 9.386 -0.822 -6.481 1.00 1.00 C ATOM 713 O ILE A 57 10.565 -1.171 -6.546 1.00 1.00 O ATOM 714 CB ILE A 57 7.437 -2.233 -5.800 1.00 1.00 C ATOM 715 CG1 ILE A 57 6.498 -2.612 -4.652 1.00 1.00 C ATOM 716 CG2 ILE A 57 8.083 -3.477 -6.396 1.00 1.00 C ATOM 717 CD1 ILE A 57 5.429 -3.605 -5.048 1.00 1.00 C ATOM 0 H ILE A 57 6.891 -0.078 -4.668 1.00 1.00 H new ATOM 0 HA ILE A 57 9.134 -1.742 -4.560 1.00 1.00 H new ATOM 0 HB ILE A 57 6.853 -1.746 -6.581 1.00 1.00 H new ATOM 0 HG12 ILE A 57 7.086 -3.030 -3.835 1.00 1.00 H new ATOM 0 HG13 ILE A 57 6.021 -1.709 -4.271 1.00 1.00 H new ATOM 0 HG21 ILE A 57 7.307 -4.161 -6.739 1.00 1.00 H new ATOM 0 HG22 ILE A 57 8.713 -3.192 -7.238 1.00 1.00 H new ATOM 0 HG23 ILE A 57 8.692 -3.970 -5.638 1.00 1.00 H new ATOM 0 HD11 ILE A 57 4.801 -3.827 -4.185 1.00 1.00 H new ATOM 0 HD12 ILE A 57 4.816 -3.182 -5.844 1.00 1.00 H new ATOM 0 HD13 ILE A 57 5.898 -4.523 -5.401 1.00 1.00 H new ATOM 729 N MET A 58 8.804 -0.070 -7.410 1.00 1.00 N ATOM 730 CA MET A 58 9.537 0.397 -8.581 1.00 1.00 C ATOM 731 C MET A 58 10.779 1.180 -8.165 1.00 1.00 C ATOM 732 O MET A 58 11.796 1.165 -8.859 1.00 1.00 O ATOM 733 CB MET A 58 8.637 1.265 -9.465 1.00 1.00 C ATOM 734 CG MET A 58 8.278 2.604 -8.843 1.00 1.00 C ATOM 735 SD MET A 58 7.199 3.592 -9.898 1.00 1.00 S ATOM 736 CE MET A 58 8.397 4.641 -10.719 1.00 1.00 C ATOM 0 H MET A 58 7.829 0.228 -7.375 1.00 1.00 H new ATOM 0 HA MET A 58 9.854 -0.475 -9.153 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.138 1.439 -10.417 1.00 1.00 H new ATOM 0 HB3 MET A 58 7.720 0.718 -9.682 1.00 1.00 H new ATOM 0 HG2 MET A 58 7.787 2.435 -7.884 1.00 1.00 H new ATOM 0 HG3 MET A 58 9.192 3.163 -8.639 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.882 5.312 -11.407 1.00 1.00 H new ATOM 0 HE2 MET A 58 8.936 5.228 -9.976 1.00 1.00 H new ATOM 0 HE3 MET A 58 9.102 4.023 -11.274 1.00 1.00 H new ATOM 746 N ALA A 59 10.690 1.856 -7.024 1.00 1.00 N ATOM 747 CA ALA A 59 11.809 2.637 -6.511 1.00 1.00 C ATOM 748 C ALA A 59 12.925 1.721 -6.023 1.00 1.00 C ATOM 749 O ALA A 59 14.054 1.788 -6.509 1.00 1.00 O ATOM 750 CB ALA A 59 11.344 3.553 -5.389 1.00 1.00 C ATOM 0 H ALA A 59 9.855 1.879 -6.438 1.00 1.00 H new ATOM 0 HA ALA A 59 12.201 3.251 -7.322 1.00 1.00 H new ATOM 0 HB1 ALA A 59 12.190 4.130 -5.016 1.00 1.00 H new ATOM 0 HB2 ALA A 59 10.580 4.232 -5.767 1.00 1.00 H new ATOM 0 HB3 ALA A 59 10.928 2.954 -4.579 1.00 1.00 H new ATOM 756 N LYS A 60 12.598 0.859 -5.066 1.00 1.00 N ATOM 757 CA LYS A 60 13.569 -0.079 -4.519 1.00 1.00 C ATOM 758 C LYS A 60 13.996 -1.096 -5.575 1.00 1.00 C ATOM 759 O LYS A 60 15.066 -1.697 -5.475 1.00 1.00 O ATOM 760 CB LYS A 60 12.981 -0.803 -3.308 1.00 1.00 C ATOM 761 CG LYS A 60 13.103 -0.025 -2.008 1.00 1.00 C ATOM 762 CD LYS A 60 12.530 1.377 -2.135 1.00 1.00 C ATOM 763 CE LYS A 60 12.788 2.199 -0.882 1.00 1.00 C ATOM 764 NZ LYS A 60 14.158 2.782 -0.873 1.00 1.00 N ATOM 0 H LYS A 60 11.668 0.791 -4.654 1.00 1.00 H new ATOM 0 HA LYS A 60 14.447 0.485 -4.206 1.00 1.00 H new ATOM 0 HB2 LYS A 60 11.928 -1.012 -3.498 1.00 1.00 H new ATOM 0 HB3 LYS A 60 13.481 -1.765 -3.193 1.00 1.00 H new ATOM 0 HG2 LYS A 60 12.583 -0.560 -1.214 1.00 1.00 H new ATOM 0 HG3 LYS A 60 14.152 0.036 -1.717 1.00 1.00 H new ATOM 0 HD2 LYS A 60 12.973 1.876 -2.997 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.457 1.318 -2.318 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.052 3.000 -0.816 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.655 1.570 -0.002 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.294 3.335 -0.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 14.861 2.017 -0.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 14.277 3.402 -1.699 1.00 1.00 H new ATOM 778 N GLN A 61 13.150 -1.285 -6.588 1.00 1.00 N ATOM 779 CA GLN A 61 13.433 -2.229 -7.666 1.00 1.00 C ATOM 780 C GLN A 61 13.273 -3.670 -7.189 1.00 1.00 C ATOM 781 O GLN A 61 14.214 -4.462 -7.240 1.00 1.00 O ATOM 782 CB GLN A 61 14.845 -2.010 -8.219 1.00 1.00 C ATOM 783 CG GLN A 61 15.067 -2.637 -9.586 1.00 1.00 C ATOM 784 CD GLN A 61 15.510 -1.628 -10.627 1.00 1.00 C ATOM 785 OE1 GLN A 61 14.865 -0.467 -10.638 1.00 1.00 O flip ATOM 786 NE2 GLN A 61 16.421 -1.888 -11.413 1.00 1.00 N flip ATOM 0 H GLN A 61 12.261 -0.794 -6.683 1.00 1.00 H new ATOM 0 HA GLN A 61 12.712 -2.050 -8.464 1.00 1.00 H new ATOM 0 HB2 GLN A 61 15.039 -0.939 -8.284 1.00 1.00 H new ATOM 0 HB3 GLN A 61 15.569 -2.423 -7.517 1.00 1.00 H new ATOM 0 HG2 GLN A 61 15.819 -3.422 -9.504 1.00 1.00 H new ATOM 0 HG3 GLN A 61 14.144 -3.113 -9.917 1.00 1.00 H new ATOM 0 HE21 GLN A 61 16.890 -2.793 -11.369 1.00 1.00 H new ATOM 0 HE22 GLN A 61 16.707 -1.198 -12.108 1.00 1.00 H new ATOM 795 N LEU A 62 12.071 -4.003 -6.728 1.00 1.00 N ATOM 796 CA LEU A 62 11.782 -5.349 -6.244 1.00 1.00 C ATOM 797 C LEU A 62 11.227 -6.235 -7.359 1.00 1.00 C ATOM 798 O LEU A 62 11.105 -7.448 -7.193 1.00 1.00 O ATOM 799 CB LEU A 62 10.782 -5.295 -5.086 1.00 1.00 C ATOM 800 CG LEU A 62 11.102 -4.281 -3.985 1.00 1.00 C ATOM 801 CD1 LEU A 62 10.205 -4.512 -2.780 1.00 1.00 C ATOM 802 CD2 LEU A 62 12.566 -4.369 -3.581 1.00 1.00 C ATOM 0 H LEU A 62 11.281 -3.359 -6.679 1.00 1.00 H new ATOM 0 HA LEU A 62 12.719 -5.782 -5.895 1.00 1.00 H new ATOM 0 HB2 LEU A 62 9.796 -5.066 -5.491 1.00 1.00 H new ATOM 0 HB3 LEU A 62 10.720 -6.286 -4.636 1.00 1.00 H new ATOM 0 HG LEU A 62 10.915 -3.280 -4.374 1.00 1.00 H new ATOM 0 HD11 LEU A 62 10.443 -3.784 -2.004 1.00 1.00 H new ATOM 0 HD12 LEU A 62 9.162 -4.399 -3.076 1.00 1.00 H new ATOM 0 HD13 LEU A 62 10.366 -5.519 -2.394 1.00 1.00 H new ATOM 0 HD21 LEU A 62 12.772 -3.640 -2.797 1.00 1.00 H new ATOM 0 HD22 LEU A 62 12.781 -5.371 -3.210 1.00 1.00 H new ATOM 0 HD23 LEU A 62 13.195 -4.159 -4.446 1.00 1.00 H new ATOM 814 N TYR A 63 10.888 -5.626 -8.493 1.00 1.00 N ATOM 815 CA TYR A 63 10.343 -6.368 -9.624 1.00 1.00 C ATOM 816 C TYR A 63 11.452 -7.061 -10.410 1.00 1.00 C ATOM 817 O TYR A 63 12.592 -6.597 -10.435 1.00 1.00 O ATOM 818 CB TYR A 63 9.558 -5.430 -10.543 1.00 1.00 C ATOM 819 CG TYR A 63 10.406 -4.339 -11.158 1.00 1.00 C ATOM 820 CD1 TYR A 63 11.211 -4.596 -12.261 1.00 1.00 C ATOM 821 CD2 TYR A 63 10.403 -3.052 -10.633 1.00 1.00 C ATOM 822 CE1 TYR A 63 11.989 -3.602 -12.823 1.00 1.00 C ATOM 823 CE2 TYR A 63 11.179 -2.053 -11.190 1.00 1.00 C ATOM 824 CZ TYR A 63 11.970 -2.333 -12.284 1.00 1.00 C ATOM 825 OH TYR A 63 12.743 -1.341 -12.842 1.00 1.00 O ATOM 0 H TYR A 63 10.981 -4.623 -8.652 1.00 1.00 H new ATOM 0 HA TYR A 63 9.671 -7.132 -9.234 1.00 1.00 H new ATOM 0 HB2 TYR A 63 9.099 -6.015 -11.340 1.00 1.00 H new ATOM 0 HB3 TYR A 63 8.747 -4.973 -9.976 1.00 1.00 H new ATOM 0 HD1 TYR A 63 11.229 -5.589 -12.686 1.00 1.00 H new ATOM 0 HD2 TYR A 63 9.784 -2.829 -9.776 1.00 1.00 H new ATOM 0 HE1 TYR A 63 12.609 -3.818 -13.680 1.00 1.00 H new ATOM 0 HE2 TYR A 63 11.166 -1.058 -10.770 1.00 1.00 H new ATOM 0 HH TYR A 63 13.402 -1.031 -12.186 1.00 1.00 H new ATOM 835 N ASP A 64 11.108 -8.175 -11.049 1.00 1.00 N ATOM 836 CA ASP A 64 12.072 -8.938 -11.835 1.00 1.00 C ATOM 837 C ASP A 64 12.148 -8.415 -13.266 1.00 1.00 C ATOM 838 O ASP A 64 11.143 -7.990 -13.836 1.00 1.00 O ATOM 839 CB ASP A 64 11.691 -10.420 -11.846 1.00 1.00 C ATOM 840 CG ASP A 64 12.719 -11.276 -12.558 1.00 1.00 C ATOM 841 OD1 ASP A 64 13.925 -10.968 -12.453 1.00 1.00 O ATOM 842 OD2 ASP A 64 12.319 -12.256 -13.222 1.00 1.00 O ATOM 0 H ASP A 64 10.168 -8.570 -11.038 1.00 1.00 H new ATOM 0 HA ASP A 64 13.052 -8.821 -11.372 1.00 1.00 H new ATOM 0 HB2 ASP A 64 11.578 -10.771 -10.820 1.00 1.00 H new ATOM 0 HB3 ASP A 64 10.723 -10.540 -12.332 1.00 1.00 H new ATOM 847 N GLU A 65 13.345 -8.456 -13.845 1.00 1.00 N ATOM 848 CA GLU A 65 13.546 -7.992 -15.213 1.00 1.00 C ATOM 849 C GLU A 65 12.701 -8.809 -16.183 1.00 1.00 C ATOM 850 O GLU A 65 11.894 -8.259 -16.933 1.00 1.00 O ATOM 851 CB GLU A 65 15.024 -8.085 -15.597 1.00 1.00 C ATOM 852 CG GLU A 65 15.797 -6.798 -15.358 1.00 1.00 C ATOM 853 CD GLU A 65 16.765 -6.482 -16.481 1.00 1.00 C ATOM 854 OE1 GLU A 65 16.302 -6.262 -17.620 1.00 1.00 O ATOM 855 OE2 GLU A 65 17.986 -6.453 -16.222 1.00 1.00 O ATOM 0 H GLU A 65 14.188 -8.805 -13.389 1.00 1.00 H new ATOM 0 HA GLU A 65 13.234 -6.949 -15.271 1.00 1.00 H new ATOM 0 HB2 GLU A 65 15.489 -8.889 -15.027 1.00 1.00 H new ATOM 0 HB3 GLU A 65 15.101 -8.355 -16.650 1.00 1.00 H new ATOM 0 HG2 GLU A 65 15.095 -5.972 -15.246 1.00 1.00 H new ATOM 0 HG3 GLU A 65 16.347 -6.878 -14.421 1.00 1.00 H new ATOM 862 N LYS A 66 12.881 -10.128 -16.157 1.00 1.00 N ATOM 863 CA LYS A 66 12.123 -11.018 -17.027 1.00 1.00 C ATOM 864 C LYS A 66 10.628 -10.761 -16.874 1.00 1.00 C ATOM 865 O LYS A 66 9.973 -10.272 -17.795 1.00 1.00 O ATOM 866 CB LYS A 66 12.444 -12.475 -16.706 1.00 1.00 C ATOM 867 CG LYS A 66 13.417 -13.102 -17.687 1.00 1.00 C ATOM 868 CD LYS A 66 12.823 -13.188 -19.083 1.00 1.00 C ATOM 869 CE LYS A 66 13.903 -13.371 -20.137 1.00 1.00 C ATOM 870 NZ LYS A 66 14.263 -12.083 -20.792 1.00 1.00 N ATOM 0 H LYS A 66 13.544 -10.601 -15.543 1.00 1.00 H new ATOM 0 HA LYS A 66 12.408 -10.818 -18.060 1.00 1.00 H new ATOM 0 HB2 LYS A 66 12.862 -12.536 -15.701 1.00 1.00 H new ATOM 0 HB3 LYS A 66 11.519 -13.052 -16.702 1.00 1.00 H new ATOM 0 HG2 LYS A 66 14.335 -12.515 -17.717 1.00 1.00 H new ATOM 0 HG3 LYS A 66 13.689 -14.100 -17.344 1.00 1.00 H new ATOM 0 HD2 LYS A 66 12.122 -14.021 -19.131 1.00 1.00 H new ATOM 0 HD3 LYS A 66 12.256 -12.282 -19.295 1.00 1.00 H new ATOM 0 HE2 LYS A 66 14.791 -13.804 -19.676 1.00 1.00 H new ATOM 0 HE3 LYS A 66 13.558 -14.078 -20.891 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 15.002 -12.250 -21.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 13.422 -11.681 -21.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 14.616 -11.416 -20.076 1.00 1.00 H new ATOM 884 N GLN A 67 10.100 -11.079 -15.697 1.00 1.00 N ATOM 885 CA GLN A 67 8.693 -10.869 -15.411 1.00 1.00 C ATOM 886 C GLN A 67 8.502 -9.560 -14.653 1.00 1.00 C ATOM 887 O GLN A 67 9.088 -9.359 -13.589 1.00 1.00 O ATOM 888 CB GLN A 67 8.147 -12.034 -14.587 1.00 1.00 C ATOM 889 CG GLN A 67 8.517 -13.399 -15.141 1.00 1.00 C ATOM 890 CD GLN A 67 8.565 -14.471 -14.070 1.00 1.00 C ATOM 891 OE1 GLN A 67 7.543 -15.057 -13.715 1.00 1.00 O ATOM 892 NE2 GLN A 67 9.758 -14.732 -13.548 1.00 1.00 N ATOM 0 H GLN A 67 10.631 -11.484 -14.926 1.00 1.00 H new ATOM 0 HA GLN A 67 8.147 -10.814 -16.353 1.00 1.00 H new ATOM 0 HB2 GLN A 67 8.521 -11.952 -13.566 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.061 -11.954 -14.536 1.00 1.00 H new ATOM 0 HG2 GLN A 67 7.793 -13.685 -15.904 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.489 -13.337 -15.631 1.00 1.00 H new ATOM 0 HE21 GLN A 67 10.579 -14.222 -13.872 1.00 1.00 H new ATOM 0 HE22 GLN A 67 9.853 -15.443 -12.823 1.00 1.00 H new ATOM 901 N GLN A 68 7.686 -8.671 -15.205 1.00 1.00 N ATOM 902 CA GLN A 68 7.431 -7.382 -14.575 1.00 1.00 C ATOM 903 C GLN A 68 6.352 -7.496 -13.502 1.00 1.00 C ATOM 904 O GLN A 68 6.256 -6.647 -12.615 1.00 1.00 O ATOM 905 CB GLN A 68 7.022 -6.348 -15.626 1.00 1.00 C ATOM 906 CG GLN A 68 8.194 -5.550 -16.176 1.00 1.00 C ATOM 907 CD GLN A 68 8.803 -6.183 -17.411 1.00 1.00 C ATOM 908 OE1 GLN A 68 10.106 -6.437 -17.365 1.00 1.00 O flip ATOM 909 NE2 GLN A 68 8.111 -6.442 -18.396 1.00 1.00 N flip ATOM 0 H GLN A 68 7.191 -8.818 -16.085 1.00 1.00 H new ATOM 0 HA GLN A 68 8.353 -7.055 -14.095 1.00 1.00 H new ATOM 0 HB2 GLN A 68 6.520 -6.856 -16.449 1.00 1.00 H new ATOM 0 HB3 GLN A 68 6.298 -5.661 -15.187 1.00 1.00 H new ATOM 0 HG2 GLN A 68 7.860 -4.541 -16.417 1.00 1.00 H new ATOM 0 HG3 GLN A 68 8.959 -5.457 -15.405 1.00 1.00 H new ATOM 0 HE21 GLN A 68 7.113 -6.230 -18.388 1.00 1.00 H new ATOM 0 HE22 GLN A 68 8.535 -6.869 -19.220 1.00 1.00 H new ATOM 918 N HIS A 69 5.543 -8.549 -13.583 1.00 1.00 N ATOM 919 CA HIS A 69 4.478 -8.766 -12.611 1.00 1.00 C ATOM 920 C HIS A 69 4.960 -9.635 -11.448 1.00 1.00 C ATOM 921 O HIS A 69 4.156 -10.127 -10.656 1.00 1.00 O ATOM 922 CB HIS A 69 3.263 -9.406 -13.290 1.00 1.00 C ATOM 923 CG HIS A 69 3.442 -10.859 -13.611 1.00 1.00 C ATOM 924 ND1 HIS A 69 4.263 -11.311 -14.624 1.00 1.00 N ATOM 925 CD2 HIS A 69 2.902 -11.965 -13.046 1.00 1.00 C ATOM 926 CE1 HIS A 69 4.219 -12.631 -14.667 1.00 1.00 C ATOM 927 NE2 HIS A 69 3.401 -13.052 -13.720 1.00 1.00 N ATOM 0 H HIS A 69 5.605 -9.262 -14.309 1.00 1.00 H new ATOM 0 HA HIS A 69 4.186 -7.797 -12.206 1.00 1.00 H new ATOM 0 HB2 HIS A 69 2.394 -9.292 -12.641 1.00 1.00 H new ATOM 0 HB3 HIS A 69 3.047 -8.865 -14.211 1.00 1.00 H new ATOM 0 HD2 HIS A 69 2.208 -11.988 -12.219 1.00 1.00 H new ATOM 0 HE1 HIS A 69 4.760 -13.259 -15.359 1.00 1.00 H new ATOM 0 HE2 HIS A 69 3.176 -14.027 -13.521 1.00 1.00 H new ATOM 936 N ILE A 70 6.276 -9.817 -11.348 1.00 1.00 N ATOM 937 CA ILE A 70 6.857 -10.619 -10.279 1.00 1.00 C ATOM 938 C ILE A 70 7.747 -9.768 -9.384 1.00 1.00 C ATOM 939 O ILE A 70 8.549 -8.968 -9.866 1.00 1.00 O ATOM 940 CB ILE A 70 7.683 -11.794 -10.836 1.00 1.00 C ATOM 941 CG1 ILE A 70 6.835 -12.639 -11.787 1.00 1.00 C ATOM 942 CG2 ILE A 70 8.229 -12.651 -9.701 1.00 1.00 C ATOM 943 CD1 ILE A 70 5.544 -13.135 -11.174 1.00 1.00 C ATOM 0 H ILE A 70 6.957 -9.419 -11.995 1.00 1.00 H new ATOM 0 HA ILE A 70 6.027 -11.018 -9.696 1.00 1.00 H new ATOM 0 HB ILE A 70 8.527 -11.388 -11.394 1.00 1.00 H new ATOM 0 HG12 ILE A 70 6.603 -12.049 -12.674 1.00 1.00 H new ATOM 0 HG13 ILE A 70 7.422 -13.496 -12.119 1.00 1.00 H new ATOM 0 HG21 ILE A 70 8.810 -13.476 -10.115 1.00 1.00 H new ATOM 0 HG22 ILE A 70 8.868 -12.043 -9.061 1.00 1.00 H new ATOM 0 HG23 ILE A 70 7.401 -13.049 -9.114 1.00 1.00 H new ATOM 0 HD11 ILE A 70 4.996 -13.726 -11.908 1.00 1.00 H new ATOM 0 HD12 ILE A 70 5.768 -13.753 -10.304 1.00 1.00 H new ATOM 0 HD13 ILE A 70 4.936 -12.284 -10.868 1.00 1.00 H new ATOM 955 N VAL A 71 7.599 -9.948 -8.079 1.00 1.00 N ATOM 956 CA VAL A 71 8.388 -9.198 -7.110 1.00 1.00 C ATOM 957 C VAL A 71 9.082 -10.129 -6.123 1.00 1.00 C ATOM 958 O VAL A 71 8.465 -10.608 -5.171 1.00 1.00 O ATOM 959 CB VAL A 71 7.510 -8.203 -6.326 1.00 1.00 C ATOM 960 CG1 VAL A 71 8.365 -7.329 -5.419 1.00 1.00 C ATOM 961 CG2 VAL A 71 6.683 -7.353 -7.282 1.00 1.00 C ATOM 0 H VAL A 71 6.939 -10.607 -7.666 1.00 1.00 H new ATOM 0 HA VAL A 71 9.141 -8.647 -7.674 1.00 1.00 H new ATOM 0 HB VAL A 71 6.824 -8.770 -5.696 1.00 1.00 H new ATOM 0 HG11 VAL A 71 7.725 -6.634 -4.875 1.00 1.00 H new ATOM 0 HG12 VAL A 71 8.903 -7.958 -4.710 1.00 1.00 H new ATOM 0 HG13 VAL A 71 9.079 -6.768 -6.022 1.00 1.00 H new ATOM 0 HG21 VAL A 71 6.069 -6.656 -6.711 1.00 1.00 H new ATOM 0 HG22 VAL A 71 7.348 -6.795 -7.941 1.00 1.00 H new ATOM 0 HG23 VAL A 71 6.039 -7.999 -7.879 1.00 1.00 H new ATOM 971 N HIS A 72 10.369 -10.381 -6.347 1.00 1.00 N ATOM 972 CA HIS A 72 11.132 -11.253 -5.461 1.00 1.00 C ATOM 973 C HIS A 72 12.409 -10.567 -4.979 1.00 1.00 C ATOM 974 O HIS A 72 13.422 -10.545 -5.678 1.00 1.00 O ATOM 975 CB HIS A 72 11.467 -12.572 -6.168 1.00 1.00 C ATOM 976 CG HIS A 72 12.461 -12.432 -7.281 1.00 1.00 C ATOM 977 ND1 HIS A 72 12.233 -11.669 -8.407 1.00 1.00 N ATOM 978 CD2 HIS A 72 13.699 -12.962 -7.433 1.00 1.00 C ATOM 979 CE1 HIS A 72 13.286 -11.736 -9.203 1.00 1.00 C ATOM 980 NE2 HIS A 72 14.189 -12.513 -8.634 1.00 1.00 N ATOM 0 H HIS A 72 10.901 -9.997 -7.128 1.00 1.00 H new ATOM 0 HA HIS A 72 10.516 -11.470 -4.588 1.00 1.00 H new ATOM 0 HB2 HIS A 72 11.856 -13.277 -5.434 1.00 1.00 H new ATOM 0 HB3 HIS A 72 10.548 -13.002 -6.567 1.00 1.00 H new ATOM 0 HD2 HIS A 72 14.206 -13.616 -6.739 1.00 1.00 H new ATOM 0 HE1 HIS A 72 13.390 -11.240 -10.157 1.00 1.00 H new ATOM 0 HE2 HIS A 72 15.103 -12.743 -9.024 1.00 1.00 H new ATOM 989 N CYS A 73 12.351 -10.018 -3.772 1.00 1.00 N ATOM 990 CA CYS A 73 13.499 -9.341 -3.180 1.00 1.00 C ATOM 991 C CYS A 73 13.737 -9.842 -1.759 1.00 1.00 C ATOM 992 O CYS A 73 13.019 -9.467 -0.832 1.00 1.00 O ATOM 993 CB CYS A 73 13.287 -7.824 -3.185 1.00 1.00 C ATOM 994 SG CYS A 73 14.506 -6.920 -4.169 1.00 1.00 S ATOM 0 H CYS A 73 11.519 -10.028 -3.182 1.00 1.00 H new ATOM 0 HA CYS A 73 14.381 -9.568 -3.779 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.290 -7.607 -3.569 1.00 1.00 H new ATOM 0 HB3 CYS A 73 13.319 -7.459 -2.159 1.00 1.00 H new ATOM 0 HG CYS A 73 14.838 -5.826 -3.550 1.00 1.00 H new ATOM 1000 N SER A 74 14.737 -10.702 -1.593 1.00 1.00 N ATOM 1001 CA SER A 74 15.049 -11.260 -0.282 1.00 1.00 C ATOM 1002 C SER A 74 15.423 -10.176 0.707 1.00 1.00 C ATOM 1003 O SER A 74 14.897 -10.146 1.821 1.00 1.00 O ATOM 1004 CB SER A 74 16.170 -12.294 -0.388 1.00 1.00 C ATOM 1005 OG SER A 74 15.952 -13.173 -1.478 1.00 1.00 O ATOM 0 H SER A 74 15.343 -11.027 -2.347 1.00 1.00 H new ATOM 0 HA SER A 74 14.151 -11.755 0.087 1.00 1.00 H new ATOM 0 HB2 SER A 74 17.127 -11.786 -0.512 1.00 1.00 H new ATOM 0 HB3 SER A 74 16.230 -12.866 0.538 1.00 1.00 H new ATOM 0 HG SER A 74 16.684 -13.823 -1.525 1.00 1.00 H new ATOM 1011 N ASN A 75 16.308 -9.273 0.314 1.00 1.00 N ATOM 1012 CA ASN A 75 16.682 -8.201 1.213 1.00 1.00 C ATOM 1013 C ASN A 75 15.833 -6.977 0.923 1.00 1.00 C ATOM 1014 O ASN A 75 16.171 -6.154 0.072 1.00 1.00 O ATOM 1015 CB ASN A 75 18.166 -7.864 1.057 1.00 1.00 C ATOM 1016 CG ASN A 75 18.724 -7.140 2.267 1.00 1.00 C ATOM 1017 OD1 ASN A 75 18.010 -6.886 3.237 1.00 1.00 O ATOM 1018 ND2 ASN A 75 20.008 -6.804 2.215 1.00 1.00 N ATOM 0 H ASN A 75 16.768 -9.261 -0.596 1.00 1.00 H new ATOM 0 HA ASN A 75 16.511 -8.523 2.240 1.00 1.00 H new ATOM 0 HB2 ASN A 75 18.729 -8.783 0.895 1.00 1.00 H new ATOM 0 HB3 ASN A 75 18.304 -7.245 0.171 1.00 1.00 H new ATOM 0 HD21 ASN A 75 20.439 -6.315 3.000 1.00 1.00 H new ATOM 0 HD22 ASN A 75 20.563 -7.035 1.391 1.00 1.00 H new ATOM 1025 N ASP A 76 14.731 -6.864 1.649 1.00 1.00 N ATOM 1026 CA ASP A 76 13.823 -5.735 1.486 1.00 1.00 C ATOM 1027 C ASP A 76 12.902 -5.585 2.694 1.00 1.00 C ATOM 1028 O ASP A 76 12.380 -6.574 3.209 1.00 1.00 O ATOM 1029 CB ASP A 76 12.991 -5.904 0.214 1.00 1.00 C ATOM 1030 CG ASP A 76 13.006 -4.660 -0.651 1.00 1.00 C ATOM 1031 OD1 ASP A 76 14.051 -4.385 -1.278 1.00 1.00 O ATOM 1032 OD2 ASP A 76 11.973 -3.959 -0.701 1.00 1.00 O ATOM 0 H ASP A 76 14.443 -7.539 2.357 1.00 1.00 H new ATOM 0 HA ASP A 76 14.426 -4.831 1.404 1.00 1.00 H new ATOM 0 HB2 ASP A 76 13.375 -6.748 -0.360 1.00 1.00 H new ATOM 0 HB3 ASP A 76 11.963 -6.144 0.484 1.00 1.00 H new ATOM 1037 N PRO A 77 12.676 -4.343 3.160 1.00 1.00 N ATOM 1038 CA PRO A 77 11.800 -4.093 4.300 1.00 1.00 C ATOM 1039 C PRO A 77 10.405 -4.671 4.077 1.00 1.00 C ATOM 1040 O PRO A 77 9.683 -4.964 5.029 1.00 1.00 O ATOM 1041 CB PRO A 77 11.731 -2.567 4.397 1.00 1.00 C ATOM 1042 CG PRO A 77 12.879 -2.047 3.605 1.00 1.00 C ATOM 1043 CD PRO A 77 13.245 -3.104 2.605 1.00 1.00 C ATOM 0 HA PRO A 77 12.177 -4.563 5.208 1.00 1.00 H new ATOM 0 HB2 PRO A 77 10.786 -2.194 4.002 1.00 1.00 H new ATOM 0 HB3 PRO A 77 11.794 -2.240 5.435 1.00 1.00 H new ATOM 0 HG2 PRO A 77 12.610 -1.118 3.102 1.00 1.00 H new ATOM 0 HG3 PRO A 77 13.725 -1.823 4.255 1.00 1.00 H new ATOM 0 HD2 PRO A 77 12.831 -2.882 1.622 1.00 1.00 H new ATOM 0 HD3 PRO A 77 14.326 -3.181 2.485 1.00 1.00 H new ATOM 1051 N LEU A 78 10.036 -4.836 2.809 1.00 1.00 N ATOM 1052 CA LEU A 78 8.732 -5.383 2.455 1.00 1.00 C ATOM 1053 C LEU A 78 8.702 -6.890 2.685 1.00 1.00 C ATOM 1054 O LEU A 78 7.769 -7.418 3.291 1.00 1.00 O ATOM 1055 CB LEU A 78 8.403 -5.071 0.993 1.00 1.00 C ATOM 1056 CG LEU A 78 6.913 -4.939 0.677 1.00 1.00 C ATOM 1057 CD1 LEU A 78 6.369 -3.622 1.207 1.00 1.00 C ATOM 1058 CD2 LEU A 78 6.675 -5.051 -0.822 1.00 1.00 C ATOM 0 H LEU A 78 10.624 -4.598 2.010 1.00 1.00 H new ATOM 0 HA LEU A 78 7.981 -4.917 3.094 1.00 1.00 H new ATOM 0 HB2 LEU A 78 8.901 -4.142 0.715 1.00 1.00 H new ATOM 0 HB3 LEU A 78 8.823 -5.858 0.366 1.00 1.00 H new ATOM 0 HG LEU A 78 6.383 -5.753 1.172 1.00 1.00 H new ATOM 0 HD11 LEU A 78 5.307 -3.546 0.972 1.00 1.00 H new ATOM 0 HD12 LEU A 78 6.506 -3.580 2.288 1.00 1.00 H new ATOM 0 HD13 LEU A 78 6.903 -2.794 0.741 1.00 1.00 H new ATOM 0 HD21 LEU A 78 5.609 -4.955 -1.029 1.00 1.00 H new ATOM 0 HD22 LEU A 78 7.218 -4.258 -1.337 1.00 1.00 H new ATOM 0 HD23 LEU A 78 7.027 -6.020 -1.175 1.00 1.00 H new ATOM 1070 N GLY A 79 9.734 -7.576 2.202 1.00 1.00 N ATOM 1071 CA GLY A 79 9.811 -9.015 2.371 1.00 1.00 C ATOM 1072 C GLY A 79 9.779 -9.420 3.830 1.00 1.00 C ATOM 1073 O GLY A 79 9.209 -10.452 4.185 1.00 1.00 O ATOM 0 H GLY A 79 10.517 -7.161 1.697 1.00 1.00 H new ATOM 0 HA2 GLY A 79 8.980 -9.486 1.846 1.00 1.00 H new ATOM 0 HA3 GLY A 79 10.728 -9.385 1.913 1.00 1.00 H new ATOM 1077 N GLU A 80 10.387 -8.598 4.679 1.00 1.00 N ATOM 1078 CA GLU A 80 10.422 -8.867 6.111 1.00 1.00 C ATOM 1079 C GLU A 80 9.077 -8.527 6.753 1.00 1.00 C ATOM 1080 O GLU A 80 8.715 -9.079 7.792 1.00 1.00 O ATOM 1081 CB GLU A 80 11.556 -8.071 6.773 1.00 1.00 C ATOM 1082 CG GLU A 80 11.180 -6.648 7.163 1.00 1.00 C ATOM 1083 CD GLU A 80 10.937 -6.498 8.652 1.00 1.00 C ATOM 1084 OE1 GLU A 80 10.183 -7.318 9.216 1.00 1.00 O ATOM 1085 OE2 GLU A 80 11.502 -5.560 9.254 1.00 1.00 O ATOM 0 H GLU A 80 10.862 -7.740 4.400 1.00 1.00 H new ATOM 0 HA GLU A 80 10.612 -9.930 6.262 1.00 1.00 H new ATOM 0 HB2 GLU A 80 11.886 -8.604 7.665 1.00 1.00 H new ATOM 0 HB3 GLU A 80 12.405 -8.036 6.091 1.00 1.00 H new ATOM 0 HG2 GLU A 80 11.976 -5.969 6.858 1.00 1.00 H new ATOM 0 HG3 GLU A 80 10.283 -6.351 6.620 1.00 1.00 H new ATOM 1092 N LEU A 81 8.341 -7.616 6.121 1.00 1.00 N ATOM 1093 CA LEU A 81 7.036 -7.199 6.619 1.00 1.00 C ATOM 1094 C LEU A 81 5.965 -8.219 6.251 1.00 1.00 C ATOM 1095 O LEU A 81 5.333 -8.814 7.123 1.00 1.00 O ATOM 1096 CB LEU A 81 6.670 -5.828 6.045 1.00 1.00 C ATOM 1097 CG LEU A 81 5.315 -5.272 6.488 1.00 1.00 C ATOM 1098 CD1 LEU A 81 5.280 -5.082 7.997 1.00 1.00 C ATOM 1099 CD2 LEU A 81 5.024 -3.958 5.777 1.00 1.00 C ATOM 0 H LEU A 81 8.629 -7.152 5.260 1.00 1.00 H new ATOM 0 HA LEU A 81 7.089 -7.131 7.706 1.00 1.00 H new ATOM 0 HB2 LEU A 81 7.446 -5.116 6.327 1.00 1.00 H new ATOM 0 HB3 LEU A 81 6.678 -5.894 4.957 1.00 1.00 H new ATOM 0 HG LEU A 81 4.542 -5.991 6.217 1.00 1.00 H new ATOM 0 HD11 LEU A 81 4.308 -4.686 8.291 1.00 1.00 H new ATOM 0 HD12 LEU A 81 5.445 -6.041 8.488 1.00 1.00 H new ATOM 0 HD13 LEU A 81 6.062 -4.383 8.294 1.00 1.00 H new ATOM 0 HD21 LEU A 81 4.057 -3.575 6.102 1.00 1.00 H new ATOM 0 HD22 LEU A 81 5.802 -3.233 6.019 1.00 1.00 H new ATOM 0 HD23 LEU A 81 5.005 -4.124 4.700 1.00 1.00 H new ATOM 1111 N PHE A 82 5.770 -8.417 4.952 1.00 1.00 N ATOM 1112 CA PHE A 82 4.777 -9.368 4.463 1.00 1.00 C ATOM 1113 C PHE A 82 5.114 -10.787 4.914 1.00 1.00 C ATOM 1114 O PHE A 82 4.228 -11.630 5.055 1.00 1.00 O ATOM 1115 CB PHE A 82 4.694 -9.316 2.934 1.00 1.00 C ATOM 1116 CG PHE A 82 4.176 -8.011 2.383 1.00 1.00 C ATOM 1117 CD1 PHE A 82 3.850 -6.954 3.223 1.00 1.00 C ATOM 1118 CD2 PHE A 82 4.014 -7.846 1.016 1.00 1.00 C ATOM 1119 CE1 PHE A 82 3.376 -5.762 2.708 1.00 1.00 C ATOM 1120 CE2 PHE A 82 3.540 -6.656 0.497 1.00 1.00 C ATOM 1121 CZ PHE A 82 3.221 -5.613 1.344 1.00 1.00 C ATOM 0 H PHE A 82 6.286 -7.932 4.218 1.00 1.00 H new ATOM 0 HA PHE A 82 3.810 -9.090 4.882 1.00 1.00 H new ATOM 0 HB2 PHE A 82 5.686 -9.503 2.522 1.00 1.00 H new ATOM 0 HB3 PHE A 82 4.048 -10.124 2.589 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.968 -7.065 4.291 1.00 1.00 H new ATOM 0 HD2 PHE A 82 4.261 -8.658 0.348 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.127 -4.948 3.372 1.00 1.00 H new ATOM 0 HE2 PHE A 82 3.419 -6.542 -0.570 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.851 -4.682 0.940 1.00 1.00 H new ATOM 1131 N GLY A 83 6.399 -11.044 5.140 1.00 1.00 N ATOM 1132 CA GLY A 83 6.827 -12.361 5.572 1.00 1.00 C ATOM 1133 C GLY A 83 7.143 -13.280 4.409 1.00 1.00 C ATOM 1134 O GLY A 83 6.929 -14.490 4.489 1.00 1.00 O ATOM 0 H GLY A 83 7.151 -10.363 5.031 1.00 1.00 H new ATOM 0 HA2 GLY A 83 7.710 -12.263 6.204 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.045 -12.811 6.184 1.00 1.00 H new ATOM 1138 N VAL A 84 7.654 -12.706 3.324 1.00 1.00 N ATOM 1139 CA VAL A 84 8.000 -13.482 2.140 1.00 1.00 C ATOM 1140 C VAL A 84 9.138 -12.827 1.365 1.00 1.00 C ATOM 1141 O VAL A 84 9.472 -11.665 1.597 1.00 1.00 O ATOM 1142 CB VAL A 84 6.788 -13.650 1.204 1.00 1.00 C ATOM 1143 CG1 VAL A 84 5.782 -14.621 1.802 1.00 1.00 C ATOM 1144 CG2 VAL A 84 6.139 -12.303 0.924 1.00 1.00 C ATOM 0 H VAL A 84 7.837 -11.706 3.241 1.00 1.00 H new ATOM 0 HA VAL A 84 8.320 -14.464 2.489 1.00 1.00 H new ATOM 0 HB VAL A 84 7.137 -14.063 0.258 1.00 1.00 H new ATOM 0 HG11 VAL A 84 4.933 -14.727 1.127 1.00 1.00 H new ATOM 0 HG12 VAL A 84 6.255 -15.593 1.945 1.00 1.00 H new ATOM 0 HG13 VAL A 84 5.436 -14.241 2.763 1.00 1.00 H new ATOM 0 HG21 VAL A 84 5.285 -12.441 0.261 1.00 1.00 H new ATOM 0 HG22 VAL A 84 5.803 -11.859 1.861 1.00 1.00 H new ATOM 0 HG23 VAL A 84 6.864 -11.642 0.449 1.00 1.00 H new ATOM 1154 N GLN A 85 9.730 -13.580 0.443 1.00 1.00 N ATOM 1155 CA GLN A 85 10.832 -13.072 -0.367 1.00 1.00 C ATOM 1156 C GLN A 85 10.563 -13.284 -1.855 1.00 1.00 C ATOM 1157 O GLN A 85 11.490 -13.303 -2.665 1.00 1.00 O ATOM 1158 CB GLN A 85 12.140 -13.759 0.029 1.00 1.00 C ATOM 1159 CG GLN A 85 12.362 -13.825 1.531 1.00 1.00 C ATOM 1160 CD GLN A 85 12.947 -12.542 2.091 1.00 1.00 C ATOM 1161 OE1 GLN A 85 14.230 -12.576 2.432 1.00 1.00 O flip ATOM 1162 NE2 GLN A 85 12.253 -11.533 2.214 1.00 1.00 N flip ATOM 0 H GLN A 85 9.465 -14.544 0.238 1.00 1.00 H new ATOM 0 HA GLN A 85 10.919 -12.001 -0.183 1.00 1.00 H new ATOM 0 HB2 GLN A 85 12.146 -14.771 -0.376 1.00 1.00 H new ATOM 0 HB3 GLN A 85 12.973 -13.227 -0.430 1.00 1.00 H new ATOM 0 HG2 GLN A 85 11.414 -14.034 2.026 1.00 1.00 H new ATOM 0 HG3 GLN A 85 13.031 -14.655 1.760 1.00 1.00 H new ATOM 0 HE21 GLN A 85 11.271 -11.553 1.939 1.00 1.00 H new ATOM 0 HE22 GLN A 85 12.660 -10.677 2.591 1.00 1.00 H new ATOM 1171 N GLU A 86 9.291 -13.445 -2.209 1.00 1.00 N ATOM 1172 CA GLU A 86 8.901 -13.656 -3.600 1.00 1.00 C ATOM 1173 C GLU A 86 7.401 -13.902 -3.708 1.00 1.00 C ATOM 1174 O GLU A 86 6.860 -14.792 -3.052 1.00 1.00 O ATOM 1175 CB GLU A 86 9.666 -14.841 -4.196 1.00 1.00 C ATOM 1176 CG GLU A 86 9.654 -16.078 -3.312 1.00 1.00 C ATOM 1177 CD GLU A 86 11.007 -16.758 -3.242 1.00 1.00 C ATOM 1178 OE1 GLU A 86 11.595 -17.023 -4.311 1.00 1.00 O ATOM 1179 OE2 GLU A 86 11.479 -17.025 -2.117 1.00 1.00 O ATOM 0 H GLU A 86 8.512 -13.433 -1.551 1.00 1.00 H new ATOM 0 HA GLU A 86 9.149 -12.755 -4.161 1.00 1.00 H new ATOM 0 HB2 GLU A 86 9.233 -15.092 -5.164 1.00 1.00 H new ATOM 0 HB3 GLU A 86 10.699 -14.543 -4.376 1.00 1.00 H new ATOM 0 HG2 GLU A 86 9.340 -15.798 -2.306 1.00 1.00 H new ATOM 0 HG3 GLU A 86 8.916 -16.784 -3.692 1.00 1.00 H new ATOM 1186 N PHE A 87 6.732 -13.108 -4.537 1.00 1.00 N ATOM 1187 CA PHE A 87 5.293 -13.244 -4.724 1.00 1.00 C ATOM 1188 C PHE A 87 4.839 -12.560 -6.010 1.00 1.00 C ATOM 1189 O PHE A 87 5.412 -11.554 -6.427 1.00 1.00 O ATOM 1190 CB PHE A 87 4.545 -12.652 -3.526 1.00 1.00 C ATOM 1191 CG PHE A 87 4.665 -11.157 -3.418 1.00 1.00 C ATOM 1192 CD1 PHE A 87 5.728 -10.580 -2.742 1.00 1.00 C ATOM 1193 CD2 PHE A 87 3.714 -10.330 -3.995 1.00 1.00 C ATOM 1194 CE1 PHE A 87 5.840 -9.206 -2.643 1.00 1.00 C ATOM 1195 CE2 PHE A 87 3.820 -8.955 -3.899 1.00 1.00 C ATOM 1196 CZ PHE A 87 4.885 -8.393 -3.222 1.00 1.00 C ATOM 0 H PHE A 87 7.162 -12.366 -5.089 1.00 1.00 H new ATOM 0 HA PHE A 87 5.063 -14.307 -4.802 1.00 1.00 H new ATOM 0 HB2 PHE A 87 3.491 -12.919 -3.599 1.00 1.00 H new ATOM 0 HB3 PHE A 87 4.926 -13.105 -2.611 1.00 1.00 H new ATOM 0 HD1 PHE A 87 6.477 -11.211 -2.287 1.00 1.00 H new ATOM 0 HD2 PHE A 87 2.880 -10.765 -4.526 1.00 1.00 H new ATOM 0 HE1 PHE A 87 6.673 -8.768 -2.113 1.00 1.00 H new ATOM 0 HE2 PHE A 87 3.072 -8.322 -4.352 1.00 1.00 H new ATOM 0 HZ PHE A 87 4.971 -7.319 -3.145 1.00 1.00 H new ATOM 1206 N SER A 88 3.800 -13.110 -6.628 1.00 1.00 N ATOM 1207 CA SER A 88 3.261 -12.550 -7.861 1.00 1.00 C ATOM 1208 C SER A 88 2.118 -11.589 -7.553 1.00 1.00 C ATOM 1209 O SER A 88 1.158 -11.951 -6.872 1.00 1.00 O ATOM 1210 CB SER A 88 2.772 -13.667 -8.785 1.00 1.00 C ATOM 1211 OG SER A 88 2.125 -14.691 -8.050 1.00 1.00 O ATOM 0 H SER A 88 3.314 -13.943 -6.295 1.00 1.00 H new ATOM 0 HA SER A 88 4.056 -12.000 -8.365 1.00 1.00 H new ATOM 0 HB2 SER A 88 2.085 -13.256 -9.525 1.00 1.00 H new ATOM 0 HB3 SER A 88 3.616 -14.086 -9.332 1.00 1.00 H new ATOM 0 HG SER A 88 1.821 -15.392 -8.664 1.00 1.00 H new ATOM 1217 N VAL A 89 2.226 -10.363 -8.053 1.00 1.00 N ATOM 1218 CA VAL A 89 1.199 -9.355 -7.822 1.00 1.00 C ATOM 1219 C VAL A 89 -0.110 -9.710 -8.524 1.00 1.00 C ATOM 1220 O VAL A 89 -1.142 -9.087 -8.275 1.00 1.00 O ATOM 1221 CB VAL A 89 1.660 -7.961 -8.284 1.00 1.00 C ATOM 1222 CG1 VAL A 89 2.810 -7.472 -7.420 1.00 1.00 C ATOM 1223 CG2 VAL A 89 2.058 -7.981 -9.751 1.00 1.00 C ATOM 0 H VAL A 89 3.012 -10.044 -8.619 1.00 1.00 H new ATOM 0 HA VAL A 89 1.027 -9.333 -6.746 1.00 1.00 H new ATOM 0 HB VAL A 89 0.826 -7.269 -8.172 1.00 1.00 H new ATOM 0 HG11 VAL A 89 3.125 -6.485 -7.759 1.00 1.00 H new ATOM 0 HG12 VAL A 89 2.485 -7.413 -6.381 1.00 1.00 H new ATOM 0 HG13 VAL A 89 3.646 -8.167 -7.499 1.00 1.00 H new ATOM 0 HG21 VAL A 89 2.380 -6.985 -10.054 1.00 1.00 H new ATOM 0 HG22 VAL A 89 2.876 -8.687 -9.897 1.00 1.00 H new ATOM 0 HG23 VAL A 89 1.204 -8.286 -10.356 1.00 1.00 H new ATOM 1233 N LYS A 90 -0.069 -10.715 -9.398 1.00 1.00 N ATOM 1234 CA LYS A 90 -1.261 -11.145 -10.123 1.00 1.00 C ATOM 1235 C LYS A 90 -2.422 -11.386 -9.161 1.00 1.00 C ATOM 1236 O LYS A 90 -3.588 -11.253 -9.533 1.00 1.00 O ATOM 1237 CB LYS A 90 -0.967 -12.418 -10.918 1.00 1.00 C ATOM 1238 CG LYS A 90 -1.919 -12.642 -12.081 1.00 1.00 C ATOM 1239 CD LYS A 90 -1.270 -13.468 -13.180 1.00 1.00 C ATOM 1240 CE LYS A 90 -1.434 -14.958 -12.928 1.00 1.00 C ATOM 1241 NZ LYS A 90 -0.518 -15.769 -13.777 1.00 1.00 N ATOM 0 H LYS A 90 0.774 -11.244 -9.620 1.00 1.00 H new ATOM 0 HA LYS A 90 -1.544 -10.352 -10.815 1.00 1.00 H new ATOM 0 HB2 LYS A 90 0.053 -12.371 -11.298 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -1.018 -13.275 -10.247 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -2.817 -13.148 -11.726 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -2.234 -11.680 -12.485 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -1.714 -13.210 -14.141 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -0.210 -13.223 -13.243 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -1.240 -15.172 -11.877 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -2.466 -15.248 -13.127 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -0.661 -16.779 -13.575 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -0.720 -15.584 -14.780 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 0.468 -15.511 -13.569 1.00 1.00 H new ATOM 1255 N GLU A 91 -2.092 -11.736 -7.921 1.00 1.00 N ATOM 1256 CA GLU A 91 -3.104 -11.988 -6.902 1.00 1.00 C ATOM 1257 C GLU A 91 -3.363 -10.728 -6.081 1.00 1.00 C ATOM 1258 O GLU A 91 -3.009 -10.655 -4.904 1.00 1.00 O ATOM 1259 CB GLU A 91 -2.662 -13.131 -5.985 1.00 1.00 C ATOM 1260 CG GLU A 91 -2.648 -14.489 -6.670 1.00 1.00 C ATOM 1261 CD GLU A 91 -3.986 -15.196 -6.590 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -4.898 -14.829 -7.361 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -4.122 -16.118 -5.758 1.00 1.00 O ATOM 0 H GLU A 91 -1.131 -11.851 -7.598 1.00 1.00 H new ATOM 0 HA GLU A 91 -4.030 -12.275 -7.401 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -1.664 -12.915 -5.604 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -3.329 -13.174 -5.124 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -2.371 -14.361 -7.716 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -1.882 -15.115 -6.212 1.00 1.00 H new ATOM 1270 N HIS A 92 -3.979 -9.736 -6.717 1.00 1.00 N ATOM 1271 CA HIS A 92 -4.286 -8.470 -6.057 1.00 1.00 C ATOM 1272 C HIS A 92 -5.045 -8.697 -4.752 1.00 1.00 C ATOM 1273 O HIS A 92 -4.957 -7.892 -3.824 1.00 1.00 O ATOM 1274 CB HIS A 92 -5.105 -7.578 -6.990 1.00 1.00 C ATOM 1275 CG HIS A 92 -4.305 -6.992 -8.112 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -2.965 -6.895 -8.291 1.00 1.00 N flip ATOM 1277 CD2 HIS A 92 -4.880 -6.417 -9.226 1.00 1.00 C flip ATOM 1278 CE1 HIS A 92 -2.760 -6.270 -9.496 1.00 1.00 C flip ATOM 1279 NE2 HIS A 92 -3.930 -5.993 -10.041 1.00 1.00 N flip ATOM 0 H HIS A 92 -4.276 -9.784 -7.691 1.00 1.00 H new ATOM 0 HA HIS A 92 -3.344 -7.975 -5.820 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.928 -8.160 -7.406 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -5.548 -6.769 -6.409 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -2.243 -7.225 -7.650 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -5.941 -6.327 -9.404 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -1.797 -6.042 -9.928 1.00 1.00 H new ATOM 1288 N ARG A 93 -5.789 -9.796 -4.686 1.00 1.00 N ATOM 1289 CA ARG A 93 -6.560 -10.124 -3.492 1.00 1.00 C ATOM 1290 C ARG A 93 -5.637 -10.473 -2.329 1.00 1.00 C ATOM 1291 O ARG A 93 -5.962 -10.222 -1.168 1.00 1.00 O ATOM 1292 CB ARG A 93 -7.506 -11.292 -3.776 1.00 1.00 C ATOM 1293 CG ARG A 93 -8.494 -11.561 -2.651 1.00 1.00 C ATOM 1294 CD ARG A 93 -9.854 -11.981 -3.188 1.00 1.00 C ATOM 1295 NE ARG A 93 -10.914 -11.066 -2.770 1.00 1.00 N ATOM 1296 CZ ARG A 93 -12.210 -11.370 -2.799 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -12.610 -12.562 -3.224 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -13.108 -10.479 -2.401 1.00 1.00 N ATOM 0 H ARG A 93 -5.875 -10.474 -5.444 1.00 1.00 H new ATOM 0 HA ARG A 93 -7.148 -9.248 -3.216 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -8.059 -11.087 -4.693 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -6.917 -12.191 -3.954 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -8.102 -12.343 -2.001 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -8.604 -10.665 -2.041 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -9.817 -12.020 -4.277 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -10.086 -12.988 -2.840 1.00 1.00 H new ATOM 0 HE ARG A 93 -10.645 -10.140 -2.437 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -11.923 -13.251 -3.531 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -13.604 -12.789 -3.244 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -12.806 -9.562 -2.073 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -14.101 -10.711 -2.423 1.00 1.00 H new ATOM 1312 N ARG A 94 -4.485 -11.055 -2.648 1.00 1.00 N ATOM 1313 CA ARG A 94 -3.514 -11.439 -1.629 1.00 1.00 C ATOM 1314 C ARG A 94 -2.875 -10.209 -0.991 1.00 1.00 C ATOM 1315 O ARG A 94 -2.948 -10.019 0.223 1.00 1.00 O ATOM 1316 CB ARG A 94 -2.434 -12.337 -2.238 1.00 1.00 C ATOM 1317 CG ARG A 94 -2.459 -13.762 -1.710 1.00 1.00 C ATOM 1318 CD ARG A 94 -1.278 -14.568 -2.226 1.00 1.00 C ATOM 1319 NE ARG A 94 -1.371 -15.976 -1.849 1.00 1.00 N ATOM 1320 CZ ARG A 94 -0.611 -16.936 -2.372 1.00 1.00 C ATOM 1321 NH1 ARG A 94 0.298 -16.644 -3.294 1.00 1.00 N ATOM 1322 NH2 ARG A 94 -0.762 -18.191 -1.973 1.00 1.00 N ATOM 0 H ARG A 94 -4.201 -11.271 -3.604 1.00 1.00 H new ATOM 0 HA ARG A 94 -4.040 -11.993 -0.851 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -2.558 -12.357 -3.321 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.455 -11.901 -2.038 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -2.443 -13.748 -0.620 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.389 -14.246 -2.009 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -1.229 -14.486 -3.312 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -0.352 -14.148 -1.833 1.00 1.00 H new ATOM 0 HE ARG A 94 -2.059 -16.239 -1.143 1.00 1.00 H new ATOM 0 HH11 ARG A 94 0.417 -15.680 -3.605 1.00 1.00 H new ATOM 0 HH12 ARG A 94 0.877 -17.384 -3.691 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -1.460 -18.421 -1.266 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -0.180 -18.927 -2.373 1.00 1.00 H new ATOM 1336 N ILE A 95 -2.248 -9.377 -1.818 1.00 1.00 N ATOM 1337 CA ILE A 95 -1.593 -8.164 -1.337 1.00 1.00 C ATOM 1338 C ILE A 95 -2.541 -7.326 -0.481 1.00 1.00 C ATOM 1339 O ILE A 95 -2.214 -6.966 0.650 1.00 1.00 O ATOM 1340 CB ILE A 95 -1.071 -7.309 -2.511 1.00 1.00 C ATOM 1341 CG1 ILE A 95 -0.111 -8.128 -3.378 1.00 1.00 C ATOM 1342 CG2 ILE A 95 -0.386 -6.050 -1.997 1.00 1.00 C ATOM 1343 CD1 ILE A 95 -0.544 -8.237 -4.823 1.00 1.00 C ATOM 0 H ILE A 95 -2.180 -9.521 -2.826 1.00 1.00 H new ATOM 0 HA ILE A 95 -0.748 -8.478 -0.724 1.00 1.00 H new ATOM 0 HB ILE A 95 -1.921 -7.007 -3.123 1.00 1.00 H new ATOM 0 HG12 ILE A 95 0.879 -7.674 -3.337 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -0.020 -9.130 -2.958 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -0.025 -5.462 -2.841 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.097 -5.459 -1.420 1.00 1.00 H new ATOM 0 HG23 ILE A 95 0.455 -6.327 -1.362 1.00 1.00 H new ATOM 0 HD11 ILE A 95 0.183 -8.831 -5.377 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -1.520 -8.719 -4.875 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -0.607 -7.240 -5.260 1.00 1.00 H new ATOM 1355 N TYR A 96 -3.717 -7.024 -1.024 1.00 1.00 N ATOM 1356 CA TYR A 96 -4.714 -6.233 -0.305 1.00 1.00 C ATOM 1357 C TYR A 96 -4.955 -6.806 1.088 1.00 1.00 C ATOM 1358 O TYR A 96 -5.144 -6.064 2.052 1.00 1.00 O ATOM 1359 CB TYR A 96 -6.026 -6.199 -1.091 1.00 1.00 C ATOM 1360 CG TYR A 96 -6.956 -5.082 -0.675 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -7.873 -5.265 0.352 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -6.919 -3.848 -1.311 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -8.729 -4.249 0.733 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -7.772 -2.827 -0.935 1.00 1.00 C ATOM 1365 CZ TYR A 96 -8.674 -3.033 0.087 1.00 1.00 C ATOM 1366 OH TYR A 96 -9.526 -2.020 0.463 1.00 1.00 O ATOM 0 H TYR A 96 -4.004 -7.314 -1.959 1.00 1.00 H new ATOM 0 HA TYR A 96 -4.335 -5.216 -0.200 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -5.801 -6.096 -2.152 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -6.539 -7.152 -0.966 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -7.918 -6.216 0.861 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -6.213 -3.683 -2.112 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -9.437 -4.407 1.533 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -7.732 -1.873 -1.439 1.00 1.00 H new ATOM 0 HH TYR A 96 -9.738 -2.107 1.416 1.00 1.00 H new ATOM 1376 N ALA A 97 -4.935 -8.131 1.187 1.00 1.00 N ATOM 1377 CA ALA A 97 -5.141 -8.805 2.462 1.00 1.00 C ATOM 1378 C ALA A 97 -3.884 -8.722 3.321 1.00 1.00 C ATOM 1379 O ALA A 97 -3.959 -8.522 4.533 1.00 1.00 O ATOM 1380 CB ALA A 97 -5.539 -10.256 2.236 1.00 1.00 C ATOM 0 H ALA A 97 -4.778 -8.759 0.399 1.00 1.00 H new ATOM 0 HA ALA A 97 -5.951 -8.303 2.991 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -5.689 -10.746 3.198 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -6.464 -10.294 1.661 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -4.749 -10.769 1.687 1.00 1.00 H new ATOM 1386 N MET A 98 -2.728 -8.870 2.679 1.00 1.00 N ATOM 1387 CA MET A 98 -1.449 -8.803 3.378 1.00 1.00 C ATOM 1388 C MET A 98 -1.278 -7.447 4.054 1.00 1.00 C ATOM 1389 O MET A 98 -1.215 -7.354 5.280 1.00 1.00 O ATOM 1390 CB MET A 98 -0.294 -9.049 2.403 1.00 1.00 C ATOM 1391 CG MET A 98 -0.250 -10.466 1.856 1.00 1.00 C ATOM 1392 SD MET A 98 1.396 -10.941 1.293 1.00 1.00 S ATOM 1393 CE MET A 98 1.479 -10.078 -0.274 1.00 1.00 C ATOM 0 H MET A 98 -2.651 -9.037 1.676 1.00 1.00 H new ATOM 0 HA MET A 98 -1.437 -9.580 4.143 1.00 1.00 H new ATOM 0 HB2 MET A 98 -0.377 -8.350 1.571 1.00 1.00 H new ATOM 0 HB3 MET A 98 0.648 -8.834 2.907 1.00 1.00 H new ATOM 0 HG2 MET A 98 -0.580 -11.160 2.629 1.00 1.00 H new ATOM 0 HG3 MET A 98 -0.953 -10.554 1.027 1.00 1.00 H new ATOM 0 HE1 MET A 98 2.403 -10.343 -0.787 1.00 1.00 H new ATOM 0 HE2 MET A 98 0.627 -10.362 -0.891 1.00 1.00 H new ATOM 0 HE3 MET A 98 1.457 -9.002 -0.099 1.00 1.00 H new ATOM 1403 N ILE A 99 -1.213 -6.395 3.243 1.00 1.00 N ATOM 1404 CA ILE A 99 -1.058 -5.039 3.758 1.00 1.00 C ATOM 1405 C ILE A 99 -2.165 -4.704 4.752 1.00 1.00 C ATOM 1406 O ILE A 99 -1.980 -3.882 5.650 1.00 1.00 O ATOM 1407 CB ILE A 99 -1.073 -4.001 2.619 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -2.271 -4.237 1.695 1.00 1.00 C ATOM 1409 CG2 ILE A 99 0.230 -4.057 1.836 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -3.358 -3.196 1.839 1.00 1.00 C ATOM 0 H ILE A 99 -1.265 -6.456 2.226 1.00 1.00 H new ATOM 0 HA ILE A 99 -0.093 -4.997 4.263 1.00 1.00 H new ATOM 0 HB ILE A 99 -1.170 -3.007 3.055 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -1.926 -4.249 0.661 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -2.691 -5.221 1.902 1.00 1.00 H new ATOM 0 HG21 ILE A 99 0.205 -3.318 1.035 1.00 1.00 H new ATOM 0 HG22 ILE A 99 1.065 -3.841 2.503 1.00 1.00 H new ATOM 0 HG23 ILE A 99 0.355 -5.052 1.409 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -4.175 -3.426 1.155 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -3.731 -3.199 2.863 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -2.953 -2.212 1.603 1.00 1.00 H new ATOM 1422 N SER A 100 -3.316 -5.349 4.587 1.00 1.00 N ATOM 1423 CA SER A 100 -4.453 -5.125 5.472 1.00 1.00 C ATOM 1424 C SER A 100 -4.120 -5.555 6.896 1.00 1.00 C ATOM 1425 O SER A 100 -4.543 -4.922 7.863 1.00 1.00 O ATOM 1426 CB SER A 100 -5.677 -5.891 4.967 1.00 1.00 C ATOM 1427 OG SER A 100 -6.475 -5.078 4.124 1.00 1.00 O ATOM 0 H SER A 100 -3.485 -6.031 3.848 1.00 1.00 H new ATOM 0 HA SER A 100 -4.679 -4.059 5.475 1.00 1.00 H new ATOM 0 HB2 SER A 100 -5.355 -6.779 4.423 1.00 1.00 H new ATOM 0 HB3 SER A 100 -6.270 -6.234 5.814 1.00 1.00 H new ATOM 0 HG SER A 100 -6.266 -5.274 3.187 1.00 1.00 H new ATOM 1433 N ARG A 101 -3.354 -6.634 7.017 1.00 1.00 N ATOM 1434 CA ARG A 101 -2.958 -7.148 8.323 1.00 1.00 C ATOM 1435 C ARG A 101 -1.837 -6.304 8.929 1.00 1.00 C ATOM 1436 O ARG A 101 -1.543 -6.412 10.119 1.00 1.00 O ATOM 1437 CB ARG A 101 -2.505 -8.604 8.205 1.00 1.00 C ATOM 1438 CG ARG A 101 -3.502 -9.496 7.483 1.00 1.00 C ATOM 1439 CD ARG A 101 -2.803 -10.598 6.702 1.00 1.00 C ATOM 1440 NE ARG A 101 -2.889 -11.890 7.379 1.00 1.00 N ATOM 1441 CZ ARG A 101 -2.075 -12.271 8.362 1.00 1.00 C ATOM 1442 NH1 ARG A 101 -1.110 -11.464 8.786 1.00 1.00 N ATOM 1443 NH2 ARG A 101 -2.226 -13.463 8.922 1.00 1.00 N ATOM 0 H ARG A 101 -2.995 -7.169 6.227 1.00 1.00 H new ATOM 0 HA ARG A 101 -3.825 -7.094 8.982 1.00 1.00 H new ATOM 0 HB2 ARG A 101 -1.552 -8.637 7.677 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -2.330 -9.003 9.204 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -4.185 -9.940 8.207 1.00 1.00 H new ATOM 0 HG3 ARG A 101 -4.105 -8.894 6.803 1.00 1.00 H new ATOM 0 HD2 ARG A 101 -3.249 -10.678 5.711 1.00 1.00 H new ATOM 0 HD3 ARG A 101 -1.755 -10.333 6.560 1.00 1.00 H new ATOM 0 HE ARG A 101 -3.617 -12.540 7.081 1.00 1.00 H new ATOM 0 HH11 ARG A 101 -0.988 -10.546 8.359 1.00 1.00 H new ATOM 0 HH12 ARG A 101 -0.490 -11.762 9.539 1.00 1.00 H new ATOM 0 HH21 ARG A 101 -2.965 -14.088 8.600 1.00 1.00 H new ATOM 0 HH22 ARG A 101 -1.603 -13.755 9.675 1.00 1.00 H new ATOM 1457 N ASN A 102 -1.213 -5.466 8.103 1.00 1.00 N ATOM 1458 CA ASN A 102 -0.124 -4.611 8.562 1.00 1.00 C ATOM 1459 C ASN A 102 -0.632 -3.221 8.940 1.00 1.00 C ATOM 1460 O ASN A 102 0.101 -2.237 8.847 1.00 1.00 O ATOM 1461 CB ASN A 102 0.948 -4.497 7.477 1.00 1.00 C ATOM 1462 CG ASN A 102 1.484 -5.850 7.053 1.00 1.00 C ATOM 1463 OD1 ASN A 102 1.245 -6.860 7.715 1.00 1.00 O ATOM 1464 ND2 ASN A 102 2.214 -5.877 5.945 1.00 1.00 N ATOM 0 H ASN A 102 -1.443 -5.362 7.115 1.00 1.00 H new ATOM 0 HA ASN A 102 0.309 -5.067 9.452 1.00 1.00 H new ATOM 0 HB2 ASN A 102 0.531 -3.986 6.609 1.00 1.00 H new ATOM 0 HB3 ASN A 102 1.770 -3.882 7.844 1.00 1.00 H new ATOM 0 HD21 ASN A 102 2.602 -6.759 5.611 1.00 1.00 H new ATOM 0 HD22 ASN A 102 2.387 -5.015 5.427 1.00 1.00 H new ATOM 1471 N LEU A 103 -1.889 -3.147 9.371 1.00 1.00 N ATOM 1472 CA LEU A 103 -2.488 -1.877 9.767 1.00 1.00 C ATOM 1473 C LEU A 103 -2.799 -1.871 11.259 1.00 1.00 C ATOM 1474 O LEU A 103 -3.669 -2.609 11.723 1.00 1.00 O ATOM 1475 CB LEU A 103 -3.770 -1.618 8.971 1.00 1.00 C ATOM 1476 CG LEU A 103 -3.739 -2.086 7.516 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -5.147 -2.127 6.942 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -2.848 -1.176 6.684 1.00 1.00 C ATOM 0 H LEU A 103 -2.511 -3.951 9.455 1.00 1.00 H new ATOM 0 HA LEU A 103 -1.771 -1.084 9.554 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -4.599 -2.112 9.477 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -3.979 -0.548 8.987 1.00 1.00 H new ATOM 0 HG LEU A 103 -3.325 -3.094 7.484 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -5.108 -2.462 5.906 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -5.757 -2.818 7.524 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -5.586 -1.130 6.985 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -2.837 -1.523 5.651 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -3.233 -0.157 6.720 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -1.834 -1.195 7.084 1.00 1.00 H new ATOM 1490 N VAL A 104 -2.080 -1.043 12.011 1.00 1.00 N ATOM 1491 CA VAL A 104 -2.285 -0.959 13.456 1.00 1.00 C ATOM 1492 C VAL A 104 -3.752 -0.695 13.803 1.00 1.00 C ATOM 1493 O VAL A 104 -4.429 -1.562 14.355 1.00 1.00 O ATOM 1494 CB VAL A 104 -1.395 0.122 14.116 1.00 1.00 C ATOM 1495 CG1 VAL A 104 0.020 -0.403 14.301 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -1.380 1.413 13.306 1.00 1.00 C ATOM 0 H VAL A 104 -1.355 -0.424 11.648 1.00 1.00 H new ATOM 0 HA VAL A 104 -1.994 -1.930 13.856 1.00 1.00 H new ATOM 0 HB VAL A 104 -1.822 0.352 15.092 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.636 0.367 14.766 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -0.000 -1.286 14.939 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.440 -0.666 13.330 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -0.744 2.146 13.802 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -0.991 1.212 12.308 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -2.394 1.805 13.228 1.00 1.00 H new