USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 61 GLN :FLIP amide:sc= 0.851 F(o=-0.83,f=1.9) USER MOD Set 2.2: A 63 TYR OH : rot -116:sc= 1.06 USER MOD Set 3.1: A 25 GLN : amide:sc= -1.14 X(o=-1.4,f=-1.2) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.598) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 46 MET CE :methyl 180:sc= -6.46! (180deg=-6.46!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -4.08! C(o=-5.8!,f=-4.1!) USER MOD Single : A 55 GLN : amide:sc= -0.703 X(o=-0.7,f=-0.78) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.357 USER MOD Single : A 58 MET CE :methyl -148:sc= -0.187 (180deg=-0.862) USER MOD Single : A 60 LYS NZ :NH3+ 149:sc= -0.237 (180deg=-1.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.6) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.662 F(o=-1.3,f=-0.66) USER MOD Single : A 69 HIS : no HD1:sc= -0.554 K(o=-0.55,f=-2.1!) USER MOD Single : A 72 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-2.2) USER MOD Single : A 73 CYS SG : rot -130:sc= -3.26! USER MOD Single : A 75 ASN : amide:sc= -0.0565 X(o=-0.056,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0.0066) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.945 USER MOD Single : A 98 MET CE :methyl 167:sc= -0.014 (180deg=-0.213) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.92 X(o=-1.9,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -9.269 5.696 4.296 1.00 1.00 N ATOM 157 CA LEU A 23 -7.850 5.703 3.957 1.00 1.00 C ATOM 158 C LEU A 23 -6.999 5.181 5.107 1.00 1.00 C ATOM 159 O LEU A 23 -7.390 5.255 6.271 1.00 1.00 O ATOM 160 CB LEU A 23 -7.380 7.113 3.575 1.00 1.00 C ATOM 161 CG LEU A 23 -8.466 8.060 3.050 1.00 1.00 C ATOM 162 CD1 LEU A 23 -8.809 9.109 4.096 1.00 1.00 C ATOM 163 CD2 LEU A 23 -8.013 8.727 1.758 1.00 1.00 C ATOM 0 HA LEU A 23 -7.725 5.041 3.100 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -6.918 7.571 4.450 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -6.604 7.023 2.814 1.00 1.00 H new ATOM 0 HG LEU A 23 -9.361 7.474 2.841 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -9.581 9.772 3.706 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -9.174 8.618 4.998 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -7.918 9.690 4.334 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -8.796 9.395 1.400 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -7.104 9.299 1.943 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -7.814 7.964 1.005 1.00 1.00 H new ATOM 175 N VAL A 24 -5.822 4.670 4.766 1.00 1.00 N ATOM 176 CA VAL A 24 -4.894 4.151 5.761 1.00 1.00 C ATOM 177 C VAL A 24 -3.631 5.007 5.796 1.00 1.00 C ATOM 178 O VAL A 24 -3.385 5.794 4.881 1.00 1.00 O ATOM 179 CB VAL A 24 -4.514 2.679 5.491 1.00 1.00 C ATOM 180 CG1 VAL A 24 -5.480 1.746 6.205 1.00 1.00 C ATOM 181 CG2 VAL A 24 -4.483 2.383 3.996 1.00 1.00 C ATOM 0 H VAL A 24 -5.488 4.604 3.805 1.00 1.00 H new ATOM 0 HA VAL A 24 -5.398 4.193 6.726 1.00 1.00 H new ATOM 0 HB VAL A 24 -3.511 2.509 5.883 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -5.201 0.711 6.006 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -5.440 1.933 7.278 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -6.493 1.924 5.843 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -4.212 1.339 3.837 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -5.467 2.572 3.567 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -3.747 3.026 3.513 1.00 1.00 H new ATOM 191 N GLN A 25 -2.840 4.868 6.854 1.00 1.00 N ATOM 192 CA GLN A 25 -1.619 5.653 6.990 1.00 1.00 C ATOM 193 C GLN A 25 -0.373 4.770 6.934 1.00 1.00 C ATOM 194 O GLN A 25 0.049 4.215 7.948 1.00 1.00 O ATOM 195 CB GLN A 25 -1.644 6.436 8.302 1.00 1.00 C ATOM 196 CG GLN A 25 -0.662 7.595 8.339 1.00 1.00 C ATOM 197 CD GLN A 25 -1.214 8.847 7.687 1.00 1.00 C ATOM 198 OE1 GLN A 25 -2.233 9.387 8.118 1.00 1.00 O ATOM 199 NE2 GLN A 25 -0.543 9.315 6.641 1.00 1.00 N ATOM 0 H GLN A 25 -3.020 4.224 7.624 1.00 1.00 H new ATOM 0 HA GLN A 25 -1.575 6.348 6.151 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -2.651 6.819 8.467 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -1.422 5.757 9.125 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -0.402 7.813 9.375 1.00 1.00 H new ATOM 0 HG3 GLN A 25 0.259 7.303 7.834 1.00 1.00 H new ATOM 0 HE21 GLN A 25 0.297 8.835 6.318 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -0.868 10.154 6.161 1.00 1.00 H new ATOM 208 N PRO A 26 0.238 4.634 5.744 1.00 1.00 N ATOM 209 CA PRO A 26 1.446 3.821 5.562 1.00 1.00 C ATOM 210 C PRO A 26 2.622 4.350 6.374 1.00 1.00 C ATOM 211 O PRO A 26 2.989 5.520 6.260 1.00 1.00 O ATOM 212 CB PRO A 26 1.749 3.946 4.062 1.00 1.00 C ATOM 213 CG PRO A 26 0.472 4.404 3.446 1.00 1.00 C ATOM 214 CD PRO A 26 -0.195 5.258 4.484 1.00 1.00 C ATOM 0 HA PRO A 26 1.294 2.795 5.896 1.00 1.00 H new ATOM 0 HB2 PRO A 26 2.553 4.659 3.880 1.00 1.00 H new ATOM 0 HB3 PRO A 26 2.069 2.992 3.643 1.00 1.00 H new ATOM 0 HG2 PRO A 26 0.658 4.970 2.534 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -0.157 3.557 3.173 1.00 1.00 H new ATOM 0 HD2 PRO A 26 0.123 6.298 4.417 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -1.280 5.249 4.380 1.00 1.00 H new ATOM 222 N THR A 27 3.218 3.484 7.189 1.00 1.00 N ATOM 223 CA THR A 27 4.361 3.872 8.010 1.00 1.00 C ATOM 224 C THR A 27 5.409 4.593 7.164 1.00 1.00 C ATOM 225 O THR A 27 5.426 4.459 5.940 1.00 1.00 O ATOM 226 CB THR A 27 4.979 2.640 8.673 1.00 1.00 C ATOM 227 OG1 THR A 27 5.653 1.841 7.717 1.00 1.00 O ATOM 228 CG2 THR A 27 3.963 1.763 9.371 1.00 1.00 C ATOM 0 H THR A 27 2.930 2.512 7.298 1.00 1.00 H new ATOM 0 HA THR A 27 4.012 4.553 8.786 1.00 1.00 H new ATOM 0 HB THR A 27 5.671 3.030 9.419 1.00 1.00 H new ATOM 0 HG1 THR A 27 6.043 1.059 8.161 1.00 1.00 H new ATOM 0 HG21 THR A 27 4.468 0.907 9.820 1.00 1.00 H new ATOM 0 HG22 THR A 27 3.461 2.337 10.150 1.00 1.00 H new ATOM 0 HG23 THR A 27 3.227 1.412 8.647 1.00 1.00 H new ATOM 236 N PRO A 28 6.300 5.371 7.802 1.00 1.00 N ATOM 237 CA PRO A 28 7.348 6.111 7.092 1.00 1.00 C ATOM 238 C PRO A 28 8.057 5.254 6.048 1.00 1.00 C ATOM 239 O PRO A 28 8.445 5.744 4.988 1.00 1.00 O ATOM 240 CB PRO A 28 8.310 6.506 8.210 1.00 1.00 C ATOM 241 CG PRO A 28 7.451 6.616 9.423 1.00 1.00 C ATOM 242 CD PRO A 28 6.357 5.593 9.260 1.00 1.00 C ATOM 0 HA PRO A 28 6.949 6.958 6.534 1.00 1.00 H new ATOM 0 HB2 PRO A 28 9.091 5.758 8.344 1.00 1.00 H new ATOM 0 HB3 PRO A 28 8.808 7.450 7.990 1.00 1.00 H new ATOM 0 HG2 PRO A 28 8.029 6.426 10.327 1.00 1.00 H new ATOM 0 HG3 PRO A 28 7.035 7.619 9.515 1.00 1.00 H new ATOM 0 HD2 PRO A 28 6.586 4.672 9.797 1.00 1.00 H new ATOM 0 HD3 PRO A 28 5.406 5.959 9.647 1.00 1.00 H new ATOM 250 N LEU A 29 8.218 3.970 6.353 1.00 1.00 N ATOM 251 CA LEU A 29 8.873 3.045 5.437 1.00 1.00 C ATOM 252 C LEU A 29 8.001 2.802 4.210 1.00 1.00 C ATOM 253 O LEU A 29 8.407 3.080 3.080 1.00 1.00 O ATOM 254 CB LEU A 29 9.174 1.721 6.144 1.00 1.00 C ATOM 255 CG LEU A 29 9.884 0.667 5.290 1.00 1.00 C ATOM 256 CD1 LEU A 29 11.029 1.288 4.501 1.00 1.00 C ATOM 257 CD2 LEU A 29 10.393 -0.465 6.169 1.00 1.00 C ATOM 0 H LEU A 29 7.904 3.548 7.227 1.00 1.00 H new ATOM 0 HA LEU A 29 9.814 3.489 5.111 1.00 1.00 H new ATOM 0 HB2 LEU A 29 9.788 1.928 7.020 1.00 1.00 H new ATOM 0 HB3 LEU A 29 8.236 1.300 6.505 1.00 1.00 H new ATOM 0 HG LEU A 29 9.166 0.261 4.578 1.00 1.00 H new ATOM 0 HD11 LEU A 29 11.517 0.519 3.902 1.00 1.00 H new ATOM 0 HD12 LEU A 29 10.639 2.066 3.844 1.00 1.00 H new ATOM 0 HD13 LEU A 29 11.752 1.724 5.191 1.00 1.00 H new ATOM 0 HD21 LEU A 29 10.896 -1.208 5.550 1.00 1.00 H new ATOM 0 HD22 LEU A 29 11.095 -0.069 6.903 1.00 1.00 H new ATOM 0 HD23 LEU A 29 9.553 -0.931 6.685 1.00 1.00 H new ATOM 269 N LEU A 30 6.791 2.297 4.440 1.00 1.00 N ATOM 270 CA LEU A 30 5.857 2.035 3.351 1.00 1.00 C ATOM 271 C LEU A 30 5.628 3.307 2.543 1.00 1.00 C ATOM 272 O LEU A 30 5.478 3.268 1.322 1.00 1.00 O ATOM 273 CB LEU A 30 4.528 1.516 3.902 1.00 1.00 C ATOM 274 CG LEU A 30 3.595 0.893 2.863 1.00 1.00 C ATOM 275 CD1 LEU A 30 4.314 -0.201 2.088 1.00 1.00 C ATOM 276 CD2 LEU A 30 2.345 0.342 3.533 1.00 1.00 C ATOM 0 H LEU A 30 6.437 2.062 5.367 1.00 1.00 H new ATOM 0 HA LEU A 30 6.285 1.273 2.700 1.00 1.00 H new ATOM 0 HB2 LEU A 30 4.737 0.773 4.672 1.00 1.00 H new ATOM 0 HB3 LEU A 30 4.007 2.341 4.388 1.00 1.00 H new ATOM 0 HG LEU A 30 3.294 1.669 2.160 1.00 1.00 H new ATOM 0 HD11 LEU A 30 3.635 -0.633 1.353 1.00 1.00 H new ATOM 0 HD12 LEU A 30 5.179 0.223 1.578 1.00 1.00 H new ATOM 0 HD13 LEU A 30 4.645 -0.978 2.777 1.00 1.00 H new ATOM 0 HD21 LEU A 30 1.692 -0.098 2.779 1.00 1.00 H new ATOM 0 HD22 LEU A 30 2.627 -0.421 4.258 1.00 1.00 H new ATOM 0 HD23 LEU A 30 1.819 1.150 4.042 1.00 1.00 H new ATOM 288 N LEU A 31 5.612 4.437 3.245 1.00 1.00 N ATOM 289 CA LEU A 31 5.413 5.739 2.617 1.00 1.00 C ATOM 290 C LEU A 31 6.395 5.950 1.467 1.00 1.00 C ATOM 291 O LEU A 31 5.992 6.206 0.333 1.00 1.00 O ATOM 292 CB LEU A 31 5.583 6.851 3.658 1.00 1.00 C ATOM 293 CG LEU A 31 4.302 7.600 4.023 1.00 1.00 C ATOM 294 CD1 LEU A 31 4.599 8.711 5.018 1.00 1.00 C ATOM 295 CD2 LEU A 31 3.639 8.161 2.774 1.00 1.00 C ATOM 0 H LEU A 31 5.736 4.476 4.257 1.00 1.00 H new ATOM 0 HA LEU A 31 4.402 5.771 2.212 1.00 1.00 H new ATOM 0 HB2 LEU A 31 6.002 6.417 4.565 1.00 1.00 H new ATOM 0 HB3 LEU A 31 6.311 7.570 3.283 1.00 1.00 H new ATOM 0 HG LEU A 31 3.612 6.897 4.491 1.00 1.00 H new ATOM 0 HD11 LEU A 31 3.675 9.234 5.266 1.00 1.00 H new ATOM 0 HD12 LEU A 31 5.029 8.283 5.924 1.00 1.00 H new ATOM 0 HD13 LEU A 31 5.306 9.414 4.578 1.00 1.00 H new ATOM 0 HD21 LEU A 31 2.728 8.691 3.052 1.00 1.00 H new ATOM 0 HD22 LEU A 31 4.322 8.850 2.277 1.00 1.00 H new ATOM 0 HD23 LEU A 31 3.391 7.345 2.096 1.00 1.00 H new ATOM 307 N SER A 32 7.687 5.845 1.771 1.00 1.00 N ATOM 308 CA SER A 32 8.732 6.028 0.766 1.00 1.00 C ATOM 309 C SER A 32 8.462 5.181 -0.472 1.00 1.00 C ATOM 310 O SER A 32 8.600 5.658 -1.599 1.00 1.00 O ATOM 311 CB SER A 32 10.100 5.675 1.352 1.00 1.00 C ATOM 312 OG SER A 32 11.117 6.499 0.809 1.00 1.00 O ATOM 0 H SER A 32 8.036 5.634 2.706 1.00 1.00 H new ATOM 0 HA SER A 32 8.730 7.077 0.469 1.00 1.00 H new ATOM 0 HB2 SER A 32 10.075 5.790 2.436 1.00 1.00 H new ATOM 0 HB3 SER A 32 10.328 4.629 1.147 1.00 1.00 H new ATOM 0 HG SER A 32 11.981 6.254 1.201 1.00 1.00 H new ATOM 318 N LEU A 33 8.066 3.925 -0.267 1.00 1.00 N ATOM 319 CA LEU A 33 7.771 3.040 -1.394 1.00 1.00 C ATOM 320 C LEU A 33 6.709 3.681 -2.276 1.00 1.00 C ATOM 321 O LEU A 33 6.845 3.730 -3.498 1.00 1.00 O ATOM 322 CB LEU A 33 7.298 1.661 -0.921 1.00 1.00 C ATOM 323 CG LEU A 33 7.815 1.214 0.450 1.00 1.00 C ATOM 324 CD1 LEU A 33 7.420 -0.229 0.725 1.00 1.00 C ATOM 325 CD2 LEU A 33 9.326 1.378 0.530 1.00 1.00 C ATOM 0 H LEU A 33 7.943 3.502 0.653 1.00 1.00 H new ATOM 0 HA LEU A 33 8.689 2.896 -1.964 1.00 1.00 H new ATOM 0 HB2 LEU A 33 6.208 1.660 -0.895 1.00 1.00 H new ATOM 0 HB3 LEU A 33 7.600 0.920 -1.662 1.00 1.00 H new ATOM 0 HG LEU A 33 7.359 1.846 1.212 1.00 1.00 H new ATOM 0 HD11 LEU A 33 7.796 -0.529 1.703 1.00 1.00 H new ATOM 0 HD12 LEU A 33 6.334 -0.318 0.711 1.00 1.00 H new ATOM 0 HD13 LEU A 33 7.847 -0.876 -0.042 1.00 1.00 H new ATOM 0 HD21 LEU A 33 9.676 1.056 1.511 1.00 1.00 H new ATOM 0 HD22 LEU A 33 9.799 0.771 -0.242 1.00 1.00 H new ATOM 0 HD23 LEU A 33 9.587 2.425 0.378 1.00 1.00 H new ATOM 337 N LEU A 34 5.663 4.200 -1.639 1.00 1.00 N ATOM 338 CA LEU A 34 4.593 4.874 -2.357 1.00 1.00 C ATOM 339 C LEU A 34 5.139 6.142 -2.989 1.00 1.00 C ATOM 340 O LEU A 34 4.932 6.408 -4.173 1.00 1.00 O ATOM 341 CB LEU A 34 3.442 5.221 -1.406 1.00 1.00 C ATOM 342 CG LEU A 34 2.886 4.041 -0.611 1.00 1.00 C ATOM 343 CD1 LEU A 34 2.031 4.534 0.546 1.00 1.00 C ATOM 344 CD2 LEU A 34 2.084 3.124 -1.520 1.00 1.00 C ATOM 0 H LEU A 34 5.536 4.165 -0.627 1.00 1.00 H new ATOM 0 HA LEU A 34 4.210 4.210 -3.132 1.00 1.00 H new ATOM 0 HB2 LEU A 34 3.786 5.982 -0.706 1.00 1.00 H new ATOM 0 HB3 LEU A 34 2.632 5.664 -1.986 1.00 1.00 H new ATOM 0 HG LEU A 34 3.721 3.474 -0.200 1.00 1.00 H new ATOM 0 HD11 LEU A 34 1.643 3.680 1.101 1.00 1.00 H new ATOM 0 HD12 LEU A 34 2.637 5.153 1.208 1.00 1.00 H new ATOM 0 HD13 LEU A 34 1.200 5.123 0.159 1.00 1.00 H new ATOM 0 HD21 LEU A 34 1.694 2.287 -0.940 1.00 1.00 H new ATOM 0 HD22 LEU A 34 1.255 3.680 -1.958 1.00 1.00 H new ATOM 0 HD23 LEU A 34 2.727 2.746 -2.315 1.00 1.00 H new ATOM 356 N LYS A 35 5.856 6.913 -2.179 1.00 1.00 N ATOM 357 CA LYS A 35 6.463 8.158 -2.626 1.00 1.00 C ATOM 358 C LYS A 35 7.190 7.963 -3.954 1.00 1.00 C ATOM 359 O LYS A 35 7.136 8.818 -4.837 1.00 1.00 O ATOM 360 CB LYS A 35 7.440 8.663 -1.559 1.00 1.00 C ATOM 361 CG LYS A 35 6.760 9.237 -0.324 1.00 1.00 C ATOM 362 CD LYS A 35 5.669 10.232 -0.689 1.00 1.00 C ATOM 363 CE LYS A 35 5.234 11.049 0.517 1.00 1.00 C ATOM 364 NZ LYS A 35 6.350 11.867 1.067 1.00 1.00 N ATOM 0 H LYS A 35 6.031 6.693 -1.199 1.00 1.00 H new ATOM 0 HA LYS A 35 5.676 8.897 -2.777 1.00 1.00 H new ATOM 0 HB2 LYS A 35 8.089 7.841 -1.256 1.00 1.00 H new ATOM 0 HB3 LYS A 35 8.080 9.428 -1.999 1.00 1.00 H new ATOM 0 HG2 LYS A 35 6.330 8.426 0.264 1.00 1.00 H new ATOM 0 HG3 LYS A 35 7.503 9.727 0.305 1.00 1.00 H new ATOM 0 HD2 LYS A 35 6.031 10.900 -1.471 1.00 1.00 H new ATOM 0 HD3 LYS A 35 4.811 9.699 -1.097 1.00 1.00 H new ATOM 0 HE2 LYS A 35 4.410 11.704 0.234 1.00 1.00 H new ATOM 0 HE3 LYS A 35 4.858 10.381 1.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 5.961 12.670 1.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 6.932 11.280 1.698 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 6.937 12.223 0.286 1.00 1.00 H new ATOM 378 N SER A 36 7.862 6.825 -4.085 1.00 1.00 N ATOM 379 CA SER A 36 8.596 6.503 -5.303 1.00 1.00 C ATOM 380 C SER A 36 7.688 5.805 -6.315 1.00 1.00 C ATOM 381 O SER A 36 7.946 5.834 -7.518 1.00 1.00 O ATOM 382 CB SER A 36 9.799 5.614 -4.978 1.00 1.00 C ATOM 383 OG SER A 36 11.014 6.251 -5.335 1.00 1.00 O ATOM 0 H SER A 36 7.914 6.108 -3.361 1.00 1.00 H new ATOM 0 HA SER A 36 8.952 7.435 -5.743 1.00 1.00 H new ATOM 0 HB2 SER A 36 9.806 5.381 -3.913 1.00 1.00 H new ATOM 0 HB3 SER A 36 9.710 4.667 -5.511 1.00 1.00 H new ATOM 0 HG SER A 36 11.768 5.664 -5.116 1.00 1.00 H new ATOM 389 N ALA A 37 6.624 5.178 -5.818 1.00 1.00 N ATOM 390 CA ALA A 37 5.677 4.474 -6.677 1.00 1.00 C ATOM 391 C ALA A 37 4.747 5.445 -7.405 1.00 1.00 C ATOM 392 O ALA A 37 3.929 5.032 -8.227 1.00 1.00 O ATOM 393 CB ALA A 37 4.866 3.478 -5.860 1.00 1.00 C ATOM 0 H ALA A 37 6.397 5.144 -4.824 1.00 1.00 H new ATOM 0 HA ALA A 37 6.250 3.935 -7.432 1.00 1.00 H new ATOM 0 HB1 ALA A 37 4.163 2.959 -6.512 1.00 1.00 H new ATOM 0 HB2 ALA A 37 5.537 2.753 -5.400 1.00 1.00 H new ATOM 0 HB3 ALA A 37 4.316 4.008 -5.082 1.00 1.00 H new ATOM 399 N GLY A 38 4.873 6.736 -7.101 1.00 1.00 N ATOM 400 CA GLY A 38 4.032 7.733 -7.739 1.00 1.00 C ATOM 401 C GLY A 38 3.015 8.324 -6.785 1.00 1.00 C ATOM 402 O GLY A 38 1.883 8.614 -7.173 1.00 1.00 O ATOM 0 H GLY A 38 5.541 7.107 -6.426 1.00 1.00 H new ATOM 0 HA2 GLY A 38 4.658 8.531 -8.139 1.00 1.00 H new ATOM 0 HA3 GLY A 38 3.514 7.280 -8.584 1.00 1.00 H new ATOM 406 N ALA A 39 3.418 8.497 -5.530 1.00 1.00 N ATOM 407 CA ALA A 39 2.537 9.051 -4.511 1.00 1.00 C ATOM 408 C ALA A 39 3.076 10.388 -3.986 1.00 1.00 C ATOM 409 O ALA A 39 4.290 10.585 -3.925 1.00 1.00 O ATOM 410 CB ALA A 39 2.372 8.059 -3.370 1.00 1.00 C ATOM 0 H ALA A 39 4.352 8.260 -5.195 1.00 1.00 H new ATOM 0 HA ALA A 39 1.562 9.236 -4.963 1.00 1.00 H new ATOM 0 HB1 ALA A 39 1.712 8.482 -2.613 1.00 1.00 H new ATOM 0 HB2 ALA A 39 1.941 7.134 -3.752 1.00 1.00 H new ATOM 0 HB3 ALA A 39 3.345 7.849 -2.926 1.00 1.00 H new ATOM 416 N GLN A 40 2.182 11.308 -3.606 1.00 1.00 N ATOM 417 CA GLN A 40 2.603 12.608 -3.093 1.00 1.00 C ATOM 418 C GLN A 40 2.160 12.797 -1.645 1.00 1.00 C ATOM 419 O GLN A 40 2.975 13.084 -0.769 1.00 1.00 O ATOM 420 CB GLN A 40 2.034 13.730 -3.963 1.00 1.00 C ATOM 421 CG GLN A 40 2.679 15.083 -3.709 1.00 1.00 C ATOM 422 CD GLN A 40 1.758 16.040 -2.977 1.00 1.00 C ATOM 423 OE1 GLN A 40 0.833 16.601 -3.564 1.00 1.00 O ATOM 424 NE2 GLN A 40 2.009 16.233 -1.687 1.00 1.00 N ATOM 0 H GLN A 40 1.172 11.174 -3.645 1.00 1.00 H new ATOM 0 HA GLN A 40 3.692 12.646 -3.126 1.00 1.00 H new ATOM 0 HB2 GLN A 40 2.164 13.466 -5.013 1.00 1.00 H new ATOM 0 HB3 GLN A 40 0.962 13.809 -3.784 1.00 1.00 H new ATOM 0 HG2 GLN A 40 3.590 14.944 -3.126 1.00 1.00 H new ATOM 0 HG3 GLN A 40 2.974 15.525 -4.661 1.00 1.00 H new ATOM 0 HE21 GLN A 40 2.787 15.747 -1.240 1.00 1.00 H new ATOM 0 HE22 GLN A 40 1.424 16.867 -1.143 1.00 1.00 H new ATOM 433 N LYS A 41 0.863 12.637 -1.401 1.00 1.00 N ATOM 434 CA LYS A 41 0.311 12.793 -0.059 1.00 1.00 C ATOM 435 C LYS A 41 0.940 11.799 0.913 1.00 1.00 C ATOM 436 O LYS A 41 1.796 10.999 0.533 1.00 1.00 O ATOM 437 CB LYS A 41 -1.208 12.608 -0.082 1.00 1.00 C ATOM 438 CG LYS A 41 -1.655 11.330 -0.771 1.00 1.00 C ATOM 439 CD LYS A 41 -2.149 11.596 -2.184 1.00 1.00 C ATOM 440 CE LYS A 41 -3.215 10.595 -2.599 1.00 1.00 C ATOM 441 NZ LYS A 41 -3.084 10.205 -4.030 1.00 1.00 N ATOM 0 H LYS A 41 0.174 12.399 -2.115 1.00 1.00 H new ATOM 0 HA LYS A 41 0.543 13.802 0.282 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -1.581 12.608 0.942 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -1.662 13.461 -0.587 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -0.825 10.624 -0.803 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -2.450 10.862 -0.190 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -2.554 12.606 -2.245 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -1.311 11.546 -2.879 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -3.142 9.706 -1.972 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -4.202 11.025 -2.429 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -3.829 9.522 -4.273 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -3.179 11.049 -4.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -2.152 9.772 -4.188 1.00 1.00 H new ATOM 455 N GLU A 42 0.510 11.857 2.169 1.00 1.00 N ATOM 456 CA GLU A 42 1.029 10.965 3.200 1.00 1.00 C ATOM 457 C GLU A 42 0.057 9.821 3.478 1.00 1.00 C ATOM 458 O GLU A 42 0.467 8.730 3.872 1.00 1.00 O ATOM 459 CB GLU A 42 1.298 11.744 4.488 1.00 1.00 C ATOM 460 CG GLU A 42 0.080 12.484 5.017 1.00 1.00 C ATOM 461 CD GLU A 42 0.218 12.867 6.477 1.00 1.00 C ATOM 462 OE1 GLU A 42 1.181 13.588 6.813 1.00 1.00 O ATOM 463 OE2 GLU A 42 -0.636 12.446 7.285 1.00 1.00 O ATOM 0 H GLU A 42 -0.198 12.514 2.498 1.00 1.00 H new ATOM 0 HA GLU A 42 1.964 10.539 2.836 1.00 1.00 H new ATOM 0 HB2 GLU A 42 1.654 11.054 5.253 1.00 1.00 H new ATOM 0 HB3 GLU A 42 2.099 12.461 4.308 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -0.080 13.384 4.423 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -0.803 11.858 4.892 1.00 1.00 H new ATOM 470 N THR A 43 -1.232 10.076 3.269 1.00 1.00 N ATOM 471 CA THR A 43 -2.256 9.062 3.498 1.00 1.00 C ATOM 472 C THR A 43 -2.877 8.614 2.181 1.00 1.00 C ATOM 473 O THR A 43 -3.112 9.425 1.287 1.00 1.00 O ATOM 474 CB THR A 43 -3.343 9.597 4.433 1.00 1.00 C ATOM 475 OG1 THR A 43 -2.866 10.705 5.176 1.00 1.00 O ATOM 476 CG2 THR A 43 -3.844 8.564 5.419 1.00 1.00 C ATOM 0 H THR A 43 -1.591 10.973 2.943 1.00 1.00 H new ATOM 0 HA THR A 43 -1.779 8.202 3.968 1.00 1.00 H new ATOM 0 HB THR A 43 -4.168 9.885 3.782 1.00 1.00 H new ATOM 0 HG1 THR A 43 -3.576 11.033 5.766 1.00 1.00 H new ATOM 0 HG21 THR A 43 -4.613 9.008 6.052 1.00 1.00 H new ATOM 0 HG22 THR A 43 -4.265 7.717 4.877 1.00 1.00 H new ATOM 0 HG23 THR A 43 -3.016 8.222 6.040 1.00 1.00 H new ATOM 484 N PHE A 44 -3.138 7.317 2.065 1.00 1.00 N ATOM 485 CA PHE A 44 -3.726 6.764 0.851 1.00 1.00 C ATOM 486 C PHE A 44 -4.778 5.713 1.177 1.00 1.00 C ATOM 487 O PHE A 44 -4.675 5.009 2.181 1.00 1.00 O ATOM 488 CB PHE A 44 -2.641 6.131 -0.020 1.00 1.00 C ATOM 489 CG PHE A 44 -1.458 7.017 -0.266 1.00 1.00 C ATOM 490 CD1 PHE A 44 -0.518 7.228 0.729 1.00 1.00 C ATOM 491 CD2 PHE A 44 -1.279 7.628 -1.495 1.00 1.00 C ATOM 492 CE1 PHE A 44 0.579 8.036 0.503 1.00 1.00 C ATOM 493 CE2 PHE A 44 -0.184 8.438 -1.726 1.00 1.00 C ATOM 494 CZ PHE A 44 0.746 8.642 -0.726 1.00 1.00 C ATOM 0 H PHE A 44 -2.952 6.630 2.796 1.00 1.00 H new ATOM 0 HA PHE A 44 -4.203 7.583 0.312 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -2.300 5.211 0.455 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -3.077 5.851 -0.979 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -0.644 6.756 1.692 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -2.002 7.470 -2.281 1.00 1.00 H new ATOM 0 HE1 PHE A 44 1.305 8.194 1.287 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -0.055 8.911 -2.688 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.603 9.275 -0.905 1.00 1.00 H new ATOM 504 N THR A 45 -5.778 5.593 0.311 1.00 1.00 N ATOM 505 CA THR A 45 -6.829 4.605 0.502 1.00 1.00 C ATOM 506 C THR A 45 -6.323 3.230 0.088 1.00 1.00 C ATOM 507 O THR A 45 -5.462 3.115 -0.784 1.00 1.00 O ATOM 508 CB THR A 45 -8.073 4.977 -0.308 1.00 1.00 C ATOM 509 OG1 THR A 45 -7.714 5.403 -1.610 1.00 1.00 O ATOM 510 CG2 THR A 45 -8.892 6.079 0.327 1.00 1.00 C ATOM 0 H THR A 45 -5.882 6.166 -0.527 1.00 1.00 H new ATOM 0 HA THR A 45 -7.103 4.584 1.557 1.00 1.00 H new ATOM 0 HB THR A 45 -8.678 4.071 -0.342 1.00 1.00 H new ATOM 0 HG1 THR A 45 -8.523 5.635 -2.113 1.00 1.00 H new ATOM 0 HG21 THR A 45 -9.759 6.294 -0.298 1.00 1.00 H new ATOM 0 HG22 THR A 45 -9.226 5.761 1.315 1.00 1.00 H new ATOM 0 HG23 THR A 45 -8.282 6.977 0.422 1.00 1.00 H new ATOM 518 N MET A 46 -6.847 2.190 0.729 1.00 1.00 N ATOM 519 CA MET A 46 -6.434 0.821 0.438 1.00 1.00 C ATOM 520 C MET A 46 -6.305 0.574 -1.064 1.00 1.00 C ATOM 521 O MET A 46 -5.489 -0.238 -1.497 1.00 1.00 O ATOM 522 CB MET A 46 -7.418 -0.169 1.057 1.00 1.00 C ATOM 523 CG MET A 46 -6.743 -1.189 1.953 1.00 1.00 C ATOM 524 SD MET A 46 -6.292 -0.515 3.561 1.00 1.00 S ATOM 525 CE MET A 46 -4.523 -0.790 3.540 1.00 1.00 C ATOM 0 H MET A 46 -7.560 2.269 1.455 1.00 1.00 H new ATOM 0 HA MET A 46 -5.449 0.671 0.880 1.00 1.00 H new ATOM 0 HB2 MET A 46 -8.162 0.379 1.635 1.00 1.00 H new ATOM 0 HB3 MET A 46 -7.952 -0.689 0.261 1.00 1.00 H new ATOM 0 HG2 MET A 46 -7.410 -2.039 2.095 1.00 1.00 H new ATOM 0 HG3 MET A 46 -5.848 -1.565 1.458 1.00 1.00 H new ATOM 0 HE1 MET A 46 -4.087 -0.426 4.470 1.00 1.00 H new ATOM 0 HE2 MET A 46 -4.322 -1.856 3.438 1.00 1.00 H new ATOM 0 HE3 MET A 46 -4.082 -0.255 2.699 1.00 1.00 H new ATOM 535 N LYS A 47 -7.101 1.284 -1.855 1.00 1.00 N ATOM 536 CA LYS A 47 -7.052 1.137 -3.305 1.00 1.00 C ATOM 537 C LYS A 47 -5.758 1.726 -3.856 1.00 1.00 C ATOM 538 O LYS A 47 -5.028 1.063 -4.592 1.00 1.00 O ATOM 539 CB LYS A 47 -8.258 1.818 -3.952 1.00 1.00 C ATOM 540 CG LYS A 47 -8.730 1.141 -5.227 1.00 1.00 C ATOM 541 CD LYS A 47 -9.188 -0.282 -4.962 1.00 1.00 C ATOM 542 CE LYS A 47 -8.069 -1.280 -5.204 1.00 1.00 C ATOM 543 NZ LYS A 47 -8.512 -2.419 -6.054 1.00 1.00 N ATOM 0 H LYS A 47 -7.784 1.963 -1.520 1.00 1.00 H new ATOM 0 HA LYS A 47 -7.082 0.074 -3.544 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -9.080 1.838 -3.236 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -8.003 2.854 -4.174 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -9.549 1.713 -5.663 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -7.921 1.134 -5.958 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -9.537 -0.367 -3.933 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -10.034 -0.519 -5.607 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -7.230 -0.775 -5.683 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -7.709 -1.660 -4.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -7.719 -3.076 -6.195 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -9.296 -2.917 -5.586 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.832 -2.060 -6.976 1.00 1.00 H new ATOM 557 N GLU A 48 -5.475 2.972 -3.486 1.00 1.00 N ATOM 558 CA GLU A 48 -4.260 3.642 -3.936 1.00 1.00 C ATOM 559 C GLU A 48 -3.029 2.940 -3.376 1.00 1.00 C ATOM 560 O GLU A 48 -2.084 2.646 -4.107 1.00 1.00 O ATOM 561 CB GLU A 48 -4.266 5.109 -3.504 1.00 1.00 C ATOM 562 CG GLU A 48 -5.553 5.840 -3.847 1.00 1.00 C ATOM 563 CD GLU A 48 -5.359 6.888 -4.926 1.00 1.00 C ATOM 564 OE1 GLU A 48 -4.788 6.551 -5.985 1.00 1.00 O ATOM 565 OE2 GLU A 48 -5.775 8.046 -4.713 1.00 1.00 O ATOM 0 H GLU A 48 -6.069 3.536 -2.878 1.00 1.00 H new ATOM 0 HA GLU A 48 -4.227 3.597 -5.025 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -4.104 5.162 -2.427 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -3.429 5.622 -3.978 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -6.300 5.118 -4.177 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -5.946 6.317 -2.949 1.00 1.00 H new ATOM 572 N VAL A 49 -3.054 2.659 -2.076 1.00 1.00 N ATOM 573 CA VAL A 49 -1.942 1.978 -1.420 1.00 1.00 C ATOM 574 C VAL A 49 -1.598 0.690 -2.157 1.00 1.00 C ATOM 575 O VAL A 49 -0.518 0.557 -2.732 1.00 1.00 O ATOM 576 CB VAL A 49 -2.268 1.636 0.048 1.00 1.00 C ATOM 577 CG1 VAL A 49 -1.036 1.092 0.755 1.00 1.00 C ATOM 578 CG2 VAL A 49 -2.816 2.852 0.780 1.00 1.00 C ATOM 0 H VAL A 49 -3.831 2.892 -1.457 1.00 1.00 H new ATOM 0 HA VAL A 49 -1.093 2.661 -1.441 1.00 1.00 H new ATOM 0 HB VAL A 49 -3.037 0.864 0.055 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -1.285 0.856 1.790 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -0.695 0.189 0.249 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -0.244 1.841 0.734 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -3.038 2.585 1.813 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -2.075 3.651 0.763 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -3.728 3.192 0.289 1.00 1.00 H new ATOM 588 N LEU A 50 -2.534 -0.251 -2.140 1.00 1.00 N ATOM 589 CA LEU A 50 -2.350 -1.532 -2.810 1.00 1.00 C ATOM 590 C LEU A 50 -2.021 -1.337 -4.290 1.00 1.00 C ATOM 591 O LEU A 50 -1.431 -2.212 -4.924 1.00 1.00 O ATOM 592 CB LEU A 50 -3.614 -2.381 -2.661 1.00 1.00 C ATOM 593 CG LEU A 50 -3.369 -3.858 -2.358 1.00 1.00 C ATOM 594 CD1 LEU A 50 -4.685 -4.580 -2.115 1.00 1.00 C ATOM 595 CD2 LEU A 50 -2.598 -4.517 -3.492 1.00 1.00 C ATOM 0 H LEU A 50 -3.432 -0.150 -1.667 1.00 1.00 H new ATOM 0 HA LEU A 50 -1.511 -2.046 -2.342 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.225 -1.959 -1.863 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.194 -2.306 -3.581 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.768 -3.926 -1.451 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.489 -5.631 -1.901 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.198 -4.126 -1.267 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.312 -4.501 -3.003 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.433 -5.569 -3.257 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -3.171 -4.437 -4.416 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.637 -4.018 -3.616 1.00 1.00 H new ATOM 607 N TYR A 51 -2.411 -0.188 -4.835 1.00 1.00 N ATOM 608 CA TYR A 51 -2.162 0.115 -6.242 1.00 1.00 C ATOM 609 C TYR A 51 -0.693 0.463 -6.486 1.00 1.00 C ATOM 610 O TYR A 51 -0.015 -0.197 -7.278 1.00 1.00 O ATOM 611 CB TYR A 51 -3.062 1.263 -6.709 1.00 1.00 C ATOM 612 CG TYR A 51 -2.822 1.681 -8.144 1.00 1.00 C ATOM 613 CD1 TYR A 51 -3.475 1.043 -9.191 1.00 1.00 C ATOM 614 CD2 TYR A 51 -1.942 2.711 -8.449 1.00 1.00 C ATOM 615 CE1 TYR A 51 -3.258 1.422 -10.503 1.00 1.00 C ATOM 616 CE2 TYR A 51 -1.719 3.095 -9.758 1.00 1.00 C ATOM 617 CZ TYR A 51 -2.379 2.447 -10.780 1.00 1.00 C ATOM 618 OH TYR A 51 -2.160 2.827 -12.085 1.00 1.00 O ATOM 0 H TYR A 51 -2.900 0.548 -4.325 1.00 1.00 H new ATOM 0 HA TYR A 51 -2.397 -0.778 -6.821 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -4.104 0.964 -6.597 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -2.905 2.123 -6.058 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -4.163 0.238 -8.977 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -1.423 3.220 -7.650 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -3.774 0.918 -11.306 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -1.032 3.898 -9.979 1.00 1.00 H new ATOM 0 HH TYR A 51 -1.514 3.564 -12.107 1.00 1.00 H new ATOM 628 N HIS A 52 -0.195 1.498 -5.809 1.00 1.00 N ATOM 629 CA HIS A 52 1.197 1.904 -5.980 1.00 1.00 C ATOM 630 C HIS A 52 2.126 0.713 -5.779 1.00 1.00 C ATOM 631 O HIS A 52 3.078 0.528 -6.533 1.00 1.00 O ATOM 632 CB HIS A 52 1.577 3.031 -5.015 1.00 1.00 C ATOM 633 CG HIS A 52 0.518 4.077 -4.850 1.00 1.00 C ATOM 634 ND1 HIS A 52 -0.165 4.483 -3.753 1.00 1.00 N flip ATOM 635 CD2 HIS A 52 0.061 4.854 -5.893 1.00 1.00 C flip ATOM 636 CE1 HIS A 52 -1.012 5.488 -4.151 1.00 1.00 C flip ATOM 637 NE2 HIS A 52 -0.855 5.694 -5.446 1.00 1.00 N flip ATOM 0 H HIS A 52 -0.727 2.062 -5.147 1.00 1.00 H new ATOM 0 HA HIS A 52 1.308 2.279 -6.998 1.00 1.00 H new ATOM 0 HB2 HIS A 52 1.802 2.599 -4.040 1.00 1.00 H new ATOM 0 HB3 HIS A 52 2.491 3.507 -5.371 1.00 1.00 H new ATOM 0 HD2 HIS A 52 0.399 4.786 -6.916 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -1.696 6.023 -3.509 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -1.356 6.384 -6.006 1.00 1.00 H new ATOM 646 N LEU A 53 1.834 -0.103 -4.765 1.00 1.00 N ATOM 647 CA LEU A 53 2.629 -1.280 -4.476 1.00 1.00 C ATOM 648 C LEU A 53 2.903 -2.074 -5.748 1.00 1.00 C ATOM 649 O LEU A 53 4.044 -2.442 -6.027 1.00 1.00 O ATOM 650 CB LEU A 53 1.907 -2.144 -3.447 1.00 1.00 C ATOM 651 CG LEU A 53 2.685 -2.368 -2.157 1.00 1.00 C ATOM 652 CD1 LEU A 53 3.202 -1.050 -1.600 1.00 1.00 C ATOM 653 CD2 LEU A 53 1.827 -3.091 -1.129 1.00 1.00 C ATOM 0 H LEU A 53 1.047 0.038 -4.132 1.00 1.00 H new ATOM 0 HA LEU A 53 3.589 -0.966 -4.066 1.00 1.00 H new ATOM 0 HB2 LEU A 53 0.952 -1.678 -3.205 1.00 1.00 H new ATOM 0 HB3 LEU A 53 1.684 -3.112 -3.895 1.00 1.00 H new ATOM 0 HG LEU A 53 3.545 -2.998 -2.385 1.00 1.00 H new ATOM 0 HD11 LEU A 53 3.754 -1.236 -0.679 1.00 1.00 H new ATOM 0 HD12 LEU A 53 3.861 -0.580 -2.330 1.00 1.00 H new ATOM 0 HD13 LEU A 53 2.361 -0.388 -1.392 1.00 1.00 H new ATOM 0 HD21 LEU A 53 2.402 -3.241 -0.215 1.00 1.00 H new ATOM 0 HD22 LEU A 53 0.943 -2.493 -0.907 1.00 1.00 H new ATOM 0 HD23 LEU A 53 1.520 -4.058 -1.527 1.00 1.00 H new ATOM 665 N GLY A 54 1.854 -2.314 -6.530 1.00 1.00 N ATOM 666 CA GLY A 54 2.018 -3.039 -7.775 1.00 1.00 C ATOM 667 C GLY A 54 3.035 -2.362 -8.669 1.00 1.00 C ATOM 668 O GLY A 54 3.826 -3.022 -9.344 1.00 1.00 O ATOM 0 H GLY A 54 0.899 -2.021 -6.324 1.00 1.00 H new ATOM 0 HA2 GLY A 54 2.336 -4.060 -7.566 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.060 -3.103 -8.291 1.00 1.00 H new ATOM 672 N GLN A 55 3.022 -1.032 -8.651 1.00 1.00 N ATOM 673 CA GLN A 55 3.957 -0.245 -9.443 1.00 1.00 C ATOM 674 C GLN A 55 5.314 -0.170 -8.744 1.00 1.00 C ATOM 675 O GLN A 55 6.352 -0.035 -9.392 1.00 1.00 O ATOM 676 CB GLN A 55 3.407 1.165 -9.670 1.00 1.00 C ATOM 677 CG GLN A 55 2.135 1.194 -10.501 1.00 1.00 C ATOM 678 CD GLN A 55 1.863 2.558 -11.105 1.00 1.00 C ATOM 679 OE1 GLN A 55 1.068 3.335 -10.579 1.00 1.00 O ATOM 680 NE2 GLN A 55 2.525 2.854 -12.218 1.00 1.00 N ATOM 0 H GLN A 55 2.372 -0.477 -8.094 1.00 1.00 H new ATOM 0 HA GLN A 55 4.086 -0.732 -10.409 1.00 1.00 H new ATOM 0 HB2 GLN A 55 3.211 1.630 -8.704 1.00 1.00 H new ATOM 0 HB3 GLN A 55 4.168 1.768 -10.165 1.00 1.00 H new ATOM 0 HG2 GLN A 55 2.210 0.456 -11.299 1.00 1.00 H new ATOM 0 HG3 GLN A 55 1.291 0.903 -9.876 1.00 1.00 H new ATOM 0 HE21 GLN A 55 3.175 2.178 -12.620 1.00 1.00 H new ATOM 0 HE22 GLN A 55 2.383 3.757 -12.671 1.00 1.00 H new ATOM 689 N TYR A 56 5.292 -0.263 -7.416 1.00 1.00 N ATOM 690 CA TYR A 56 6.511 -0.212 -6.618 1.00 1.00 C ATOM 691 C TYR A 56 7.377 -1.441 -6.882 1.00 1.00 C ATOM 692 O TYR A 56 8.571 -1.324 -7.161 1.00 1.00 O ATOM 693 CB TYR A 56 6.163 -0.121 -5.126 1.00 1.00 C ATOM 694 CG TYR A 56 7.349 -0.314 -4.205 1.00 1.00 C ATOM 695 CD1 TYR A 56 8.280 0.699 -4.016 1.00 1.00 C ATOM 696 CD2 TYR A 56 7.544 -1.517 -3.540 1.00 1.00 C ATOM 697 CE1 TYR A 56 9.374 0.518 -3.191 1.00 1.00 C ATOM 698 CE2 TYR A 56 8.633 -1.704 -2.708 1.00 1.00 C ATOM 699 CZ TYR A 56 9.546 -0.684 -2.539 1.00 1.00 C ATOM 700 OH TYR A 56 10.633 -0.868 -1.716 1.00 1.00 O ATOM 0 H TYR A 56 4.438 -0.375 -6.870 1.00 1.00 H new ATOM 0 HA TYR A 56 7.075 0.676 -6.904 1.00 1.00 H new ATOM 0 HB2 TYR A 56 5.716 0.853 -4.926 1.00 1.00 H new ATOM 0 HB3 TYR A 56 5.409 -0.872 -4.893 1.00 1.00 H new ATOM 0 HD1 TYR A 56 8.147 1.644 -4.522 1.00 1.00 H new ATOM 0 HD2 TYR A 56 6.834 -2.320 -3.674 1.00 1.00 H new ATOM 0 HE1 TYR A 56 10.091 1.315 -3.058 1.00 1.00 H new ATOM 0 HE2 TYR A 56 8.768 -2.644 -2.193 1.00 1.00 H new ATOM 0 HH TYR A 56 10.604 -1.770 -1.333 1.00 1.00 H new ATOM 710 N ILE A 57 6.766 -2.618 -6.793 1.00 1.00 N ATOM 711 CA ILE A 57 7.479 -3.869 -7.023 1.00 1.00 C ATOM 712 C ILE A 57 8.070 -3.911 -8.428 1.00 1.00 C ATOM 713 O ILE A 57 9.271 -4.114 -8.599 1.00 1.00 O ATOM 714 CB ILE A 57 6.556 -5.089 -6.822 1.00 1.00 C ATOM 715 CG1 ILE A 57 5.909 -5.039 -5.437 1.00 1.00 C ATOM 716 CG2 ILE A 57 7.334 -6.387 -7.003 1.00 1.00 C ATOM 717 CD1 ILE A 57 4.989 -6.206 -5.157 1.00 1.00 C ATOM 0 H ILE A 57 5.779 -2.731 -6.563 1.00 1.00 H new ATOM 0 HA ILE A 57 8.286 -3.915 -6.292 1.00 1.00 H new ATOM 0 HB ILE A 57 5.769 -5.057 -7.575 1.00 1.00 H new ATOM 0 HG12 ILE A 57 6.693 -5.015 -4.680 1.00 1.00 H new ATOM 0 HG13 ILE A 57 5.345 -4.111 -5.342 1.00 1.00 H new ATOM 0 HG21 ILE A 57 6.665 -7.235 -6.857 1.00 1.00 H new ATOM 0 HG22 ILE A 57 7.752 -6.423 -8.009 1.00 1.00 H new ATOM 0 HG23 ILE A 57 8.142 -6.432 -6.272 1.00 1.00 H new ATOM 0 HD11 ILE A 57 4.566 -6.104 -4.158 1.00 1.00 H new ATOM 0 HD12 ILE A 57 4.184 -6.219 -5.892 1.00 1.00 H new ATOM 0 HD13 ILE A 57 5.553 -7.137 -5.219 1.00 1.00 H new ATOM 729 N MET A 58 7.220 -3.714 -9.432 1.00 1.00 N ATOM 730 CA MET A 58 7.669 -3.728 -10.819 1.00 1.00 C ATOM 731 C MET A 58 8.729 -2.656 -11.051 1.00 1.00 C ATOM 732 O MET A 58 9.645 -2.836 -11.852 1.00 1.00 O ATOM 733 CB MET A 58 6.488 -3.513 -11.767 1.00 1.00 C ATOM 734 CG MET A 58 5.848 -2.141 -11.643 1.00 1.00 C ATOM 735 SD MET A 58 4.445 -1.926 -12.755 1.00 1.00 S ATOM 736 CE MET A 58 5.218 -2.243 -14.340 1.00 1.00 C ATOM 0 H MET A 58 6.222 -3.544 -9.311 1.00 1.00 H new ATOM 0 HA MET A 58 8.110 -4.704 -11.024 1.00 1.00 H new ATOM 0 HB2 MET A 58 6.827 -3.655 -12.793 1.00 1.00 H new ATOM 0 HB3 MET A 58 5.734 -4.275 -11.572 1.00 1.00 H new ATOM 0 HG2 MET A 58 5.518 -1.990 -10.615 1.00 1.00 H new ATOM 0 HG3 MET A 58 6.595 -1.376 -11.854 1.00 1.00 H new ATOM 0 HE1 MET A 58 4.731 -1.643 -15.109 1.00 1.00 H new ATOM 0 HE2 MET A 58 6.274 -1.980 -14.289 1.00 1.00 H new ATOM 0 HE3 MET A 58 5.119 -3.300 -14.588 1.00 1.00 H new ATOM 746 N ALA A 59 8.601 -1.542 -10.335 1.00 1.00 N ATOM 747 CA ALA A 59 9.552 -0.445 -10.456 1.00 1.00 C ATOM 748 C ALA A 59 10.883 -0.820 -9.816 1.00 1.00 C ATOM 749 O ALA A 59 11.922 -0.826 -10.477 1.00 1.00 O ATOM 750 CB ALA A 59 8.991 0.816 -9.817 1.00 1.00 C ATOM 0 H ALA A 59 7.849 -1.377 -9.666 1.00 1.00 H new ATOM 0 HA ALA A 59 9.722 -0.250 -11.515 1.00 1.00 H new ATOM 0 HB1 ALA A 59 9.713 1.626 -9.916 1.00 1.00 H new ATOM 0 HB2 ALA A 59 8.063 1.095 -10.316 1.00 1.00 H new ATOM 0 HB3 ALA A 59 8.794 0.632 -8.761 1.00 1.00 H new ATOM 756 N LYS A 60 10.843 -1.145 -8.527 1.00 1.00 N ATOM 757 CA LYS A 60 12.043 -1.535 -7.801 1.00 1.00 C ATOM 758 C LYS A 60 12.621 -2.828 -8.372 1.00 1.00 C ATOM 759 O LYS A 60 13.808 -3.112 -8.215 1.00 1.00 O ATOM 760 CB LYS A 60 11.723 -1.715 -6.316 1.00 1.00 C ATOM 761 CG LYS A 60 11.842 -0.435 -5.501 1.00 1.00 C ATOM 762 CD LYS A 60 11.070 0.714 -6.133 1.00 1.00 C ATOM 763 CE LYS A 60 11.485 2.053 -5.546 1.00 1.00 C ATOM 764 NZ LYS A 60 12.965 2.219 -5.530 1.00 1.00 N ATOM 0 H LYS A 60 9.991 -1.145 -7.966 1.00 1.00 H new ATOM 0 HA LYS A 60 12.786 -0.745 -7.912 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.710 -2.104 -6.217 1.00 1.00 H new ATOM 0 HB3 LYS A 60 12.395 -2.465 -5.898 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.469 -0.611 -4.492 1.00 1.00 H new ATOM 0 HG3 LYS A 60 12.893 -0.159 -5.409 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.240 0.719 -7.210 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.001 0.564 -5.980 1.00 1.00 H new ATOM 0 HE2 LYS A 60 11.036 2.859 -6.127 1.00 1.00 H new ATOM 0 HE3 LYS A 60 11.099 2.139 -4.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 13.203 3.225 -5.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 13.344 1.871 -4.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 13.384 1.677 -6.313 1.00 1.00 H new ATOM 778 N GLN A 61 11.769 -3.606 -9.040 1.00 1.00 N ATOM 779 CA GLN A 61 12.183 -4.869 -9.644 1.00 1.00 C ATOM 780 C GLN A 61 12.480 -5.922 -8.580 1.00 1.00 C ATOM 781 O GLN A 61 13.613 -6.384 -8.446 1.00 1.00 O ATOM 782 CB GLN A 61 13.410 -4.661 -10.538 1.00 1.00 C ATOM 783 CG GLN A 61 13.722 -5.853 -11.429 1.00 1.00 C ATOM 784 CD GLN A 61 13.521 -5.550 -12.901 1.00 1.00 C ATOM 785 OE1 GLN A 61 12.462 -4.813 -13.217 1.00 1.00 O flip ATOM 786 NE2 GLN A 61 14.310 -5.974 -13.746 1.00 1.00 N flip ATOM 0 H GLN A 61 10.784 -3.381 -9.176 1.00 1.00 H new ATOM 0 HA GLN A 61 11.357 -5.230 -10.256 1.00 1.00 H new ATOM 0 HB2 GLN A 61 13.249 -3.783 -11.163 1.00 1.00 H new ATOM 0 HB3 GLN A 61 14.276 -4.451 -9.910 1.00 1.00 H new ATOM 0 HG2 GLN A 61 14.753 -6.165 -11.264 1.00 1.00 H new ATOM 0 HG3 GLN A 61 13.086 -6.691 -11.144 1.00 1.00 H new ATOM 0 HE21 GLN A 61 15.111 -6.537 -13.459 1.00 1.00 H new ATOM 0 HE22 GLN A 61 14.163 -5.762 -14.733 1.00 1.00 H new ATOM 795 N LEU A 62 11.450 -6.304 -7.832 1.00 1.00 N ATOM 796 CA LEU A 62 11.594 -7.311 -6.785 1.00 1.00 C ATOM 797 C LEU A 62 11.014 -8.654 -7.228 1.00 1.00 C ATOM 798 O LEU A 62 11.139 -9.655 -6.522 1.00 1.00 O ATOM 799 CB LEU A 62 10.902 -6.851 -5.501 1.00 1.00 C ATOM 800 CG LEU A 62 11.205 -5.415 -5.070 1.00 1.00 C ATOM 801 CD1 LEU A 62 10.564 -5.123 -3.724 1.00 1.00 C ATOM 802 CD2 LEU A 62 12.707 -5.180 -5.005 1.00 1.00 C ATOM 0 H LEU A 62 10.506 -5.932 -7.931 1.00 1.00 H new ATOM 0 HA LEU A 62 12.659 -7.439 -6.593 1.00 1.00 H new ATOM 0 HB2 LEU A 62 9.825 -6.953 -5.632 1.00 1.00 H new ATOM 0 HB3 LEU A 62 11.190 -7.523 -4.693 1.00 1.00 H new ATOM 0 HG LEU A 62 10.784 -4.736 -5.812 1.00 1.00 H new ATOM 0 HD11 LEU A 62 10.788 -4.098 -3.429 1.00 1.00 H new ATOM 0 HD12 LEU A 62 9.484 -5.252 -3.800 1.00 1.00 H new ATOM 0 HD13 LEU A 62 10.960 -5.810 -2.976 1.00 1.00 H new ATOM 0 HD21 LEU A 62 12.902 -4.153 -4.697 1.00 1.00 H new ATOM 0 HD22 LEU A 62 13.152 -5.866 -4.284 1.00 1.00 H new ATOM 0 HD23 LEU A 62 13.145 -5.353 -5.988 1.00 1.00 H new ATOM 814 N TYR A 63 10.377 -8.673 -8.398 1.00 1.00 N ATOM 815 CA TYR A 63 9.779 -9.894 -8.923 1.00 1.00 C ATOM 816 C TYR A 63 10.837 -10.788 -9.563 1.00 1.00 C ATOM 817 O TYR A 63 11.879 -10.310 -10.013 1.00 1.00 O ATOM 818 CB TYR A 63 8.694 -9.553 -9.946 1.00 1.00 C ATOM 819 CG TYR A 63 9.210 -8.767 -11.130 1.00 1.00 C ATOM 820 CD1 TYR A 63 9.962 -9.383 -12.123 1.00 1.00 C ATOM 821 CD2 TYR A 63 8.950 -7.408 -11.252 1.00 1.00 C ATOM 822 CE1 TYR A 63 10.440 -8.666 -13.204 1.00 1.00 C ATOM 823 CE2 TYR A 63 9.424 -6.684 -12.330 1.00 1.00 C ATOM 824 CZ TYR A 63 10.169 -7.317 -13.302 1.00 1.00 C ATOM 825 OH TYR A 63 10.643 -6.600 -14.376 1.00 1.00 O ATOM 0 H TYR A 63 10.263 -7.856 -8.998 1.00 1.00 H new ATOM 0 HA TYR A 63 9.329 -10.436 -8.092 1.00 1.00 H new ATOM 0 HB2 TYR A 63 8.239 -10.477 -10.303 1.00 1.00 H new ATOM 0 HB3 TYR A 63 7.908 -8.980 -9.454 1.00 1.00 H new ATOM 0 HD1 TYR A 63 10.176 -10.439 -12.049 1.00 1.00 H new ATOM 0 HD2 TYR A 63 8.368 -6.909 -10.492 1.00 1.00 H new ATOM 0 HE1 TYR A 63 11.023 -9.159 -13.968 1.00 1.00 H new ATOM 0 HE2 TYR A 63 9.212 -5.628 -12.410 1.00 1.00 H new ATOM 0 HH TYR A 63 11.284 -5.928 -14.063 1.00 1.00 H new ATOM 835 N ASP A 64 10.562 -12.087 -9.599 1.00 1.00 N ATOM 836 CA ASP A 64 11.490 -13.051 -10.181 1.00 1.00 C ATOM 837 C ASP A 64 11.279 -13.173 -11.687 1.00 1.00 C ATOM 838 O ASP A 64 10.152 -13.087 -12.175 1.00 1.00 O ATOM 839 CB ASP A 64 11.316 -14.419 -9.519 1.00 1.00 C ATOM 840 CG ASP A 64 12.316 -15.439 -10.026 1.00 1.00 C ATOM 841 OD1 ASP A 64 13.390 -15.027 -10.513 1.00 1.00 O ATOM 842 OD2 ASP A 64 12.026 -16.650 -9.937 1.00 1.00 O ATOM 0 H ASP A 64 9.703 -12.498 -9.232 1.00 1.00 H new ATOM 0 HA ASP A 64 12.504 -12.693 -10.003 1.00 1.00 H new ATOM 0 HB2 ASP A 64 11.425 -14.313 -8.440 1.00 1.00 H new ATOM 0 HB3 ASP A 64 10.305 -14.783 -9.704 1.00 1.00 H new ATOM 847 N GLU A 65 12.370 -13.377 -12.419 1.00 1.00 N ATOM 848 CA GLU A 65 12.301 -13.516 -13.869 1.00 1.00 C ATOM 849 C GLU A 65 11.474 -14.738 -14.252 1.00 1.00 C ATOM 850 O GLU A 65 10.483 -14.626 -14.972 1.00 1.00 O ATOM 851 CB GLU A 65 13.709 -13.623 -14.462 1.00 1.00 C ATOM 852 CG GLU A 65 13.958 -12.664 -15.614 1.00 1.00 C ATOM 853 CD GLU A 65 13.719 -13.303 -16.968 1.00 1.00 C ATOM 854 OE1 GLU A 65 12.541 -13.449 -17.356 1.00 1.00 O ATOM 855 OE2 GLU A 65 14.710 -13.658 -17.640 1.00 1.00 O ATOM 0 H GLU A 65 13.311 -13.450 -12.032 1.00 1.00 H new ATOM 0 HA GLU A 65 11.816 -12.629 -14.276 1.00 1.00 H new ATOM 0 HB2 GLU A 65 14.440 -13.432 -13.677 1.00 1.00 H new ATOM 0 HB3 GLU A 65 13.872 -14.644 -14.808 1.00 1.00 H new ATOM 0 HG2 GLU A 65 13.307 -11.796 -15.506 1.00 1.00 H new ATOM 0 HG3 GLU A 65 14.985 -12.301 -15.564 1.00 1.00 H new ATOM 862 N LYS A 66 11.880 -15.905 -13.755 1.00 1.00 N ATOM 863 CA LYS A 66 11.162 -17.143 -14.039 1.00 1.00 C ATOM 864 C LYS A 66 9.691 -16.993 -13.669 1.00 1.00 C ATOM 865 O LYS A 66 8.816 -17.008 -14.535 1.00 1.00 O ATOM 866 CB LYS A 66 11.781 -18.310 -13.267 1.00 1.00 C ATOM 867 CG LYS A 66 13.286 -18.430 -13.449 1.00 1.00 C ATOM 868 CD LYS A 66 14.041 -17.817 -12.280 1.00 1.00 C ATOM 869 CE LYS A 66 15.233 -17.000 -12.753 1.00 1.00 C ATOM 870 NZ LYS A 66 16.150 -16.655 -11.631 1.00 1.00 N ATOM 0 H LYS A 66 12.698 -16.018 -13.157 1.00 1.00 H new ATOM 0 HA LYS A 66 11.240 -17.352 -15.106 1.00 1.00 H new ATOM 0 HB2 LYS A 66 11.560 -18.191 -12.206 1.00 1.00 H new ATOM 0 HB3 LYS A 66 11.309 -19.239 -13.589 1.00 1.00 H new ATOM 0 HG2 LYS A 66 13.559 -19.481 -13.548 1.00 1.00 H new ATOM 0 HG3 LYS A 66 13.582 -17.935 -14.374 1.00 1.00 H new ATOM 0 HD2 LYS A 66 13.368 -17.181 -11.704 1.00 1.00 H new ATOM 0 HD3 LYS A 66 14.383 -18.607 -11.612 1.00 1.00 H new ATOM 0 HE2 LYS A 66 15.781 -17.561 -13.510 1.00 1.00 H new ATOM 0 HE3 LYS A 66 14.880 -16.085 -13.228 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 16.949 -16.098 -11.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 15.635 -16.097 -10.920 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 16.507 -17.528 -11.193 1.00 1.00 H new ATOM 884 N GLN A 67 9.430 -16.829 -12.377 1.00 1.00 N ATOM 885 CA GLN A 67 8.075 -16.653 -11.888 1.00 1.00 C ATOM 886 C GLN A 67 7.776 -15.170 -11.698 1.00 1.00 C ATOM 887 O GLN A 67 8.483 -14.476 -10.967 1.00 1.00 O ATOM 888 CB GLN A 67 7.893 -17.394 -10.565 1.00 1.00 C ATOM 889 CG GLN A 67 8.403 -18.825 -10.591 1.00 1.00 C ATOM 890 CD GLN A 67 8.792 -19.331 -9.216 1.00 1.00 C ATOM 891 OE1 GLN A 67 9.784 -18.888 -8.637 1.00 1.00 O ATOM 892 NE2 GLN A 67 8.011 -20.265 -8.686 1.00 1.00 N ATOM 0 H GLN A 67 10.145 -16.815 -11.650 1.00 1.00 H new ATOM 0 HA GLN A 67 7.381 -17.064 -12.622 1.00 1.00 H new ATOM 0 HB2 GLN A 67 8.412 -16.847 -9.778 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.835 -17.400 -10.305 1.00 1.00 H new ATOM 0 HG2 GLN A 67 7.633 -19.474 -11.008 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.266 -18.887 -11.254 1.00 1.00 H new ATOM 0 HE21 GLN A 67 7.199 -20.603 -9.202 1.00 1.00 H new ATOM 0 HE22 GLN A 67 8.224 -20.644 -7.763 1.00 1.00 H new ATOM 901 N GLN A 68 6.733 -14.686 -12.360 1.00 1.00 N ATOM 902 CA GLN A 68 6.356 -13.282 -12.260 1.00 1.00 C ATOM 903 C GLN A 68 5.493 -13.028 -11.027 1.00 1.00 C ATOM 904 O GLN A 68 5.367 -11.891 -10.572 1.00 1.00 O ATOM 905 CB GLN A 68 5.616 -12.838 -13.523 1.00 1.00 C ATOM 906 CG GLN A 68 6.533 -12.255 -14.587 1.00 1.00 C ATOM 907 CD GLN A 68 7.059 -13.306 -15.544 1.00 1.00 C ATOM 908 OE1 GLN A 68 8.374 -13.330 -15.732 1.00 1.00 O flip ATOM 909 NE2 GLN A 68 6.294 -14.088 -16.109 1.00 1.00 N flip ATOM 0 H GLN A 68 6.135 -15.243 -12.970 1.00 1.00 H new ATOM 0 HA GLN A 68 7.270 -12.696 -12.160 1.00 1.00 H new ATOM 0 HB2 GLN A 68 5.083 -13.691 -13.942 1.00 1.00 H new ATOM 0 HB3 GLN A 68 4.866 -12.094 -13.253 1.00 1.00 H new ATOM 0 HG2 GLN A 68 5.992 -11.495 -15.150 1.00 1.00 H new ATOM 0 HG3 GLN A 68 7.373 -11.756 -14.104 1.00 1.00 H new ATOM 0 HE21 GLN A 68 5.290 -14.034 -15.936 1.00 1.00 H new ATOM 0 HE22 GLN A 68 6.664 -14.789 -16.750 1.00 1.00 H new ATOM 918 N HIS A 69 4.903 -14.091 -10.486 1.00 1.00 N ATOM 919 CA HIS A 69 4.059 -13.973 -9.303 1.00 1.00 C ATOM 920 C HIS A 69 4.868 -14.187 -8.023 1.00 1.00 C ATOM 921 O HIS A 69 4.303 -14.366 -6.944 1.00 1.00 O ATOM 922 CB HIS A 69 2.901 -14.973 -9.376 1.00 1.00 C ATOM 923 CG HIS A 69 3.312 -16.394 -9.142 1.00 1.00 C ATOM 924 ND1 HIS A 69 4.008 -17.140 -10.070 1.00 1.00 N ATOM 925 CD2 HIS A 69 3.123 -17.207 -8.075 1.00 1.00 C ATOM 926 CE1 HIS A 69 4.229 -18.349 -9.586 1.00 1.00 C ATOM 927 NE2 HIS A 69 3.702 -18.415 -8.377 1.00 1.00 N ATOM 0 H HIS A 69 4.994 -15.040 -10.848 1.00 1.00 H new ATOM 0 HA HIS A 69 3.652 -12.962 -9.277 1.00 1.00 H new ATOM 0 HB2 HIS A 69 2.148 -14.697 -8.638 1.00 1.00 H new ATOM 0 HB3 HIS A 69 2.430 -14.898 -10.356 1.00 1.00 H new ATOM 0 HD2 HIS A 69 2.612 -16.953 -7.158 1.00 1.00 H new ATOM 0 HE1 HIS A 69 4.751 -19.147 -10.092 1.00 1.00 H new ATOM 0 HE2 HIS A 69 3.722 -19.232 -7.766 1.00 1.00 H new ATOM 936 N ILE A 70 6.194 -14.164 -8.148 1.00 1.00 N ATOM 937 CA ILE A 70 7.074 -14.351 -7.001 1.00 1.00 C ATOM 938 C ILE A 70 7.917 -13.106 -6.754 1.00 1.00 C ATOM 939 O ILE A 70 8.465 -12.518 -7.686 1.00 1.00 O ATOM 940 CB ILE A 70 8.010 -15.559 -7.195 1.00 1.00 C ATOM 941 CG1 ILE A 70 7.201 -16.811 -7.534 1.00 1.00 C ATOM 942 CG2 ILE A 70 8.855 -15.788 -5.949 1.00 1.00 C ATOM 943 CD1 ILE A 70 6.119 -17.129 -6.525 1.00 1.00 C ATOM 0 H ILE A 70 6.680 -14.018 -9.033 1.00 1.00 H new ATOM 0 HA ILE A 70 6.434 -14.536 -6.138 1.00 1.00 H new ATOM 0 HB ILE A 70 8.681 -15.346 -8.027 1.00 1.00 H new ATOM 0 HG12 ILE A 70 6.744 -16.683 -8.515 1.00 1.00 H new ATOM 0 HG13 ILE A 70 7.879 -17.662 -7.607 1.00 1.00 H new ATOM 0 HG21 ILE A 70 9.509 -16.645 -6.106 1.00 1.00 H new ATOM 0 HG22 ILE A 70 9.459 -14.902 -5.751 1.00 1.00 H new ATOM 0 HG23 ILE A 70 8.203 -15.980 -5.097 1.00 1.00 H new ATOM 0 HD11 ILE A 70 5.588 -18.030 -6.833 1.00 1.00 H new ATOM 0 HD12 ILE A 70 6.570 -17.290 -5.546 1.00 1.00 H new ATOM 0 HD13 ILE A 70 5.418 -16.296 -6.468 1.00 1.00 H new ATOM 955 N VAL A 71 8.016 -12.712 -5.492 1.00 1.00 N ATOM 956 CA VAL A 71 8.791 -11.537 -5.116 1.00 1.00 C ATOM 957 C VAL A 71 9.796 -11.865 -4.018 1.00 1.00 C ATOM 958 O VAL A 71 9.438 -11.940 -2.842 1.00 1.00 O ATOM 959 CB VAL A 71 7.878 -10.394 -4.635 1.00 1.00 C ATOM 960 CG1 VAL A 71 8.682 -9.122 -4.412 1.00 1.00 C ATOM 961 CG2 VAL A 71 6.750 -10.157 -5.630 1.00 1.00 C ATOM 0 H VAL A 71 7.569 -13.190 -4.710 1.00 1.00 H new ATOM 0 HA VAL A 71 9.327 -11.215 -6.009 1.00 1.00 H new ATOM 0 HB VAL A 71 7.435 -10.684 -3.682 1.00 1.00 H new ATOM 0 HG11 VAL A 71 8.018 -8.327 -4.073 1.00 1.00 H new ATOM 0 HG12 VAL A 71 9.447 -9.303 -3.657 1.00 1.00 H new ATOM 0 HG13 VAL A 71 9.157 -8.824 -5.346 1.00 1.00 H new ATOM 0 HG21 VAL A 71 6.115 -9.346 -5.274 1.00 1.00 H new ATOM 0 HG22 VAL A 71 7.170 -9.890 -6.600 1.00 1.00 H new ATOM 0 HG23 VAL A 71 6.156 -11.066 -5.730 1.00 1.00 H new ATOM 971 N HIS A 72 11.056 -12.054 -4.401 1.00 1.00 N ATOM 972 CA HIS A 72 12.100 -12.366 -3.433 1.00 1.00 C ATOM 973 C HIS A 72 13.282 -11.410 -3.570 1.00 1.00 C ATOM 974 O HIS A 72 14.148 -11.588 -4.427 1.00 1.00 O ATOM 975 CB HIS A 72 12.569 -13.816 -3.601 1.00 1.00 C ATOM 976 CG HIS A 72 13.288 -14.077 -4.891 1.00 1.00 C ATOM 977 ND1 HIS A 72 12.696 -13.934 -6.128 1.00 1.00 N ATOM 978 CD2 HIS A 72 14.561 -14.472 -5.129 1.00 1.00 C ATOM 979 CE1 HIS A 72 13.573 -14.231 -7.071 1.00 1.00 C ATOM 980 NE2 HIS A 72 14.712 -14.559 -6.491 1.00 1.00 N ATOM 0 H HIS A 72 11.376 -11.997 -5.368 1.00 1.00 H new ATOM 0 HA HIS A 72 11.679 -12.244 -2.435 1.00 1.00 H new ATOM 0 HB2 HIS A 72 13.227 -14.073 -2.771 1.00 1.00 H new ATOM 0 HB3 HIS A 72 11.704 -14.477 -3.538 1.00 1.00 H new ATOM 0 HD2 HIS A 72 15.317 -14.680 -4.386 1.00 1.00 H new ATOM 0 HE1 HIS A 72 13.389 -14.209 -8.135 1.00 1.00 H new ATOM 0 HE2 HIS A 72 15.566 -14.833 -6.976 1.00 1.00 H new ATOM 989 N CYS A 73 13.313 -10.398 -2.711 1.00 1.00 N ATOM 990 CA CYS A 73 14.389 -9.416 -2.721 1.00 1.00 C ATOM 991 C CYS A 73 14.945 -9.217 -1.315 1.00 1.00 C ATOM 992 O CYS A 73 14.334 -8.539 -0.489 1.00 1.00 O ATOM 993 CB CYS A 73 13.895 -8.083 -3.289 1.00 1.00 C ATOM 994 SG CYS A 73 14.845 -7.501 -4.713 1.00 1.00 S ATOM 0 H CYS A 73 12.603 -10.236 -1.997 1.00 1.00 H new ATOM 0 HA CYS A 73 15.188 -9.791 -3.361 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.850 -8.187 -3.579 1.00 1.00 H new ATOM 0 HB3 CYS A 73 13.934 -7.327 -2.504 1.00 1.00 H new ATOM 0 HG CYS A 73 15.192 -6.262 -4.526 1.00 1.00 H new ATOM 1000 N SER A 74 16.101 -9.814 -1.043 1.00 1.00 N ATOM 1001 CA SER A 74 16.719 -9.695 0.272 1.00 1.00 C ATOM 1002 C SER A 74 17.025 -8.249 0.599 1.00 1.00 C ATOM 1003 O SER A 74 16.680 -7.771 1.681 1.00 1.00 O ATOM 1004 CB SER A 74 17.991 -10.541 0.354 1.00 1.00 C ATOM 1005 OG SER A 74 18.634 -10.376 1.605 1.00 1.00 O ATOM 0 H SER A 74 16.625 -10.381 -1.710 1.00 1.00 H new ATOM 0 HA SER A 74 16.008 -10.069 1.009 1.00 1.00 H new ATOM 0 HB2 SER A 74 17.743 -11.592 0.205 1.00 1.00 H new ATOM 0 HB3 SER A 74 18.672 -10.258 -0.448 1.00 1.00 H new ATOM 0 HG SER A 74 19.443 -10.928 1.632 1.00 1.00 H new ATOM 1011 N ASN A 75 17.640 -7.535 -0.332 1.00 1.00 N ATOM 1012 CA ASN A 75 17.927 -6.138 -0.088 1.00 1.00 C ATOM 1013 C ASN A 75 16.841 -5.286 -0.718 1.00 1.00 C ATOM 1014 O ASN A 75 16.914 -4.924 -1.892 1.00 1.00 O ATOM 1015 CB ASN A 75 19.294 -5.762 -0.662 1.00 1.00 C ATOM 1016 CG ASN A 75 20.407 -5.899 0.359 1.00 1.00 C ATOM 1017 OD1 ASN A 75 21.179 -4.967 0.582 1.00 1.00 O ATOM 1018 ND2 ASN A 75 20.496 -7.068 0.984 1.00 1.00 N ATOM 0 H ASN A 75 17.941 -7.891 -1.239 1.00 1.00 H new ATOM 0 HA ASN A 75 17.950 -5.961 0.987 1.00 1.00 H new ATOM 0 HB2 ASN A 75 19.512 -6.397 -1.520 1.00 1.00 H new ATOM 0 HB3 ASN A 75 19.262 -4.735 -1.026 1.00 1.00 H new ATOM 0 HD21 ASN A 75 21.226 -7.220 1.680 1.00 1.00 H new ATOM 0 HD22 ASN A 75 19.834 -7.814 0.768 1.00 1.00 H new ATOM 1025 N ASP A 76 15.836 -4.966 0.083 1.00 1.00 N ATOM 1026 CA ASP A 76 14.722 -4.146 -0.380 1.00 1.00 C ATOM 1027 C ASP A 76 13.952 -3.549 0.795 1.00 1.00 C ATOM 1028 O ASP A 76 13.726 -4.222 1.801 1.00 1.00 O ATOM 1029 CB ASP A 76 13.779 -4.974 -1.253 1.00 1.00 C ATOM 1030 CG ASP A 76 12.680 -4.134 -1.872 1.00 1.00 C ATOM 1031 OD1 ASP A 76 12.952 -3.451 -2.882 1.00 1.00 O ATOM 1032 OD2 ASP A 76 11.547 -4.158 -1.346 1.00 1.00 O ATOM 0 H ASP A 76 15.767 -5.261 1.057 1.00 1.00 H new ATOM 0 HA ASP A 76 15.132 -3.328 -0.972 1.00 1.00 H new ATOM 0 HB2 ASP A 76 14.352 -5.459 -2.044 1.00 1.00 H new ATOM 0 HB3 ASP A 76 13.333 -5.766 -0.652 1.00 1.00 H new ATOM 1037 N PRO A 77 13.525 -2.278 0.684 1.00 1.00 N ATOM 1038 CA PRO A 77 12.771 -1.620 1.747 1.00 1.00 C ATOM 1039 C PRO A 77 11.520 -2.407 2.125 1.00 1.00 C ATOM 1040 O PRO A 77 11.034 -2.318 3.251 1.00 1.00 O ATOM 1041 CB PRO A 77 12.385 -0.262 1.154 1.00 1.00 C ATOM 1042 CG PRO A 77 13.279 -0.050 -0.018 1.00 1.00 C ATOM 1043 CD PRO A 77 13.741 -1.402 -0.479 1.00 1.00 C ATOM 0 HA PRO A 77 13.357 -1.536 2.662 1.00 1.00 H new ATOM 0 HB2 PRO A 77 11.338 -0.253 0.851 1.00 1.00 H new ATOM 0 HB3 PRO A 77 12.511 0.533 1.889 1.00 1.00 H new ATOM 0 HG2 PRO A 77 12.748 0.468 -0.817 1.00 1.00 H new ATOM 0 HG3 PRO A 77 14.130 0.574 0.256 1.00 1.00 H new ATOM 0 HD2 PRO A 77 13.172 -1.743 -1.344 1.00 1.00 H new ATOM 0 HD3 PRO A 77 14.790 -1.384 -0.774 1.00 1.00 H new ATOM 1051 N LEU A 78 11.006 -3.182 1.173 1.00 1.00 N ATOM 1052 CA LEU A 78 9.816 -3.991 1.404 1.00 1.00 C ATOM 1053 C LEU A 78 10.146 -5.196 2.276 1.00 1.00 C ATOM 1054 O LEU A 78 9.452 -5.479 3.252 1.00 1.00 O ATOM 1055 CB LEU A 78 9.223 -4.457 0.074 1.00 1.00 C ATOM 1056 CG LEU A 78 7.722 -4.748 0.100 1.00 1.00 C ATOM 1057 CD1 LEU A 78 6.946 -3.513 0.533 1.00 1.00 C ATOM 1058 CD2 LEU A 78 7.249 -5.226 -1.264 1.00 1.00 C ATOM 0 H LEU A 78 11.396 -3.266 0.234 1.00 1.00 H new ATOM 0 HA LEU A 78 9.081 -3.376 1.923 1.00 1.00 H new ATOM 0 HB2 LEU A 78 9.416 -3.694 -0.680 1.00 1.00 H new ATOM 0 HB3 LEU A 78 9.747 -5.359 -0.244 1.00 1.00 H new ATOM 0 HG LEU A 78 7.537 -5.540 0.825 1.00 1.00 H new ATOM 0 HD11 LEU A 78 5.880 -3.739 0.546 1.00 1.00 H new ATOM 0 HD12 LEU A 78 7.265 -3.214 1.531 1.00 1.00 H new ATOM 0 HD13 LEU A 78 7.136 -2.700 -0.167 1.00 1.00 H new ATOM 0 HD21 LEU A 78 6.179 -5.428 -1.228 1.00 1.00 H new ATOM 0 HD22 LEU A 78 7.447 -4.455 -2.009 1.00 1.00 H new ATOM 0 HD23 LEU A 78 7.782 -6.138 -1.535 1.00 1.00 H new ATOM 1070 N GLY A 79 11.215 -5.902 1.918 1.00 1.00 N ATOM 1071 CA GLY A 79 11.624 -7.067 2.679 1.00 1.00 C ATOM 1072 C GLY A 79 11.893 -6.736 4.133 1.00 1.00 C ATOM 1073 O GLY A 79 11.646 -7.553 5.020 1.00 1.00 O ATOM 0 H GLY A 79 11.805 -5.687 1.114 1.00 1.00 H new ATOM 0 HA2 GLY A 79 10.847 -7.829 2.619 1.00 1.00 H new ATOM 0 HA3 GLY A 79 12.523 -7.493 2.233 1.00 1.00 H new ATOM 1077 N GLU A 80 12.397 -5.530 4.377 1.00 1.00 N ATOM 1078 CA GLU A 80 12.694 -5.087 5.733 1.00 1.00 C ATOM 1079 C GLU A 80 11.415 -4.668 6.457 1.00 1.00 C ATOM 1080 O GLU A 80 11.343 -4.706 7.686 1.00 1.00 O ATOM 1081 CB GLU A 80 13.709 -3.933 5.706 1.00 1.00 C ATOM 1082 CG GLU A 80 13.092 -2.558 5.493 1.00 1.00 C ATOM 1083 CD GLU A 80 13.119 -1.706 6.747 1.00 1.00 C ATOM 1084 OE1 GLU A 80 12.545 -2.138 7.770 1.00 1.00 O ATOM 1085 OE2 GLU A 80 13.714 -0.609 6.708 1.00 1.00 O ATOM 0 H GLU A 80 12.608 -4.843 3.653 1.00 1.00 H new ATOM 0 HA GLU A 80 13.134 -5.920 6.281 1.00 1.00 H new ATOM 0 HB2 GLU A 80 14.261 -3.929 6.646 1.00 1.00 H new ATOM 0 HB3 GLU A 80 14.433 -4.120 4.913 1.00 1.00 H new ATOM 0 HG2 GLU A 80 13.629 -2.043 4.696 1.00 1.00 H new ATOM 0 HG3 GLU A 80 12.061 -2.674 5.159 1.00 1.00 H new ATOM 1092 N LEU A 81 10.407 -4.272 5.683 1.00 1.00 N ATOM 1093 CA LEU A 81 9.129 -3.849 6.244 1.00 1.00 C ATOM 1094 C LEU A 81 8.282 -5.058 6.630 1.00 1.00 C ATOM 1095 O LEU A 81 7.943 -5.244 7.798 1.00 1.00 O ATOM 1096 CB LEU A 81 8.372 -2.983 5.236 1.00 1.00 C ATOM 1097 CG LEU A 81 7.024 -2.450 5.721 1.00 1.00 C ATOM 1098 CD1 LEU A 81 7.213 -1.510 6.901 1.00 1.00 C ATOM 1099 CD2 LEU A 81 6.293 -1.744 4.588 1.00 1.00 C ATOM 0 H LEU A 81 10.452 -4.236 4.665 1.00 1.00 H new ATOM 0 HA LEU A 81 9.326 -3.263 7.142 1.00 1.00 H new ATOM 0 HB2 LEU A 81 9.002 -2.137 4.962 1.00 1.00 H new ATOM 0 HB3 LEU A 81 8.210 -3.566 4.330 1.00 1.00 H new ATOM 0 HG LEU A 81 6.418 -3.295 6.050 1.00 1.00 H new ATOM 0 HD11 LEU A 81 6.242 -1.141 7.232 1.00 1.00 H new ATOM 0 HD12 LEU A 81 7.696 -2.045 7.719 1.00 1.00 H new ATOM 0 HD13 LEU A 81 7.837 -0.669 6.600 1.00 1.00 H new ATOM 0 HD21 LEU A 81 5.335 -1.370 4.950 1.00 1.00 H new ATOM 0 HD22 LEU A 81 6.896 -0.910 4.230 1.00 1.00 H new ATOM 0 HD23 LEU A 81 6.124 -2.446 3.771 1.00 1.00 H new ATOM 1111 N PHE A 82 7.946 -5.878 5.639 1.00 1.00 N ATOM 1112 CA PHE A 82 7.140 -7.072 5.878 1.00 1.00 C ATOM 1113 C PHE A 82 7.887 -8.066 6.762 1.00 1.00 C ATOM 1114 O PHE A 82 7.273 -8.861 7.474 1.00 1.00 O ATOM 1115 CB PHE A 82 6.761 -7.740 4.552 1.00 1.00 C ATOM 1116 CG PHE A 82 5.848 -6.908 3.695 1.00 1.00 C ATOM 1117 CD1 PHE A 82 4.800 -6.199 4.259 1.00 1.00 C ATOM 1118 CD2 PHE A 82 6.039 -6.837 2.324 1.00 1.00 C ATOM 1119 CE1 PHE A 82 3.960 -5.434 3.472 1.00 1.00 C ATOM 1120 CE2 PHE A 82 5.202 -6.074 1.533 1.00 1.00 C ATOM 1121 CZ PHE A 82 4.161 -5.371 2.107 1.00 1.00 C ATOM 0 H PHE A 82 8.218 -5.739 4.666 1.00 1.00 H new ATOM 0 HA PHE A 82 6.230 -6.763 6.393 1.00 1.00 H new ATOM 0 HB2 PHE A 82 7.671 -7.959 3.993 1.00 1.00 H new ATOM 0 HB3 PHE A 82 6.278 -8.695 4.761 1.00 1.00 H new ATOM 0 HD1 PHE A 82 4.638 -6.245 5.326 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.851 -7.384 1.869 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.147 -4.886 3.924 1.00 1.00 H new ATOM 0 HE2 PHE A 82 5.362 -6.027 0.466 1.00 1.00 H new ATOM 0 HZ PHE A 82 3.506 -4.774 1.490 1.00 1.00 H new ATOM 1131 N GLY A 83 9.215 -8.015 6.714 1.00 1.00 N ATOM 1132 CA GLY A 83 10.020 -8.916 7.517 1.00 1.00 C ATOM 1133 C GLY A 83 10.198 -10.274 6.866 1.00 1.00 C ATOM 1134 O GLY A 83 10.152 -11.303 7.539 1.00 1.00 O ATOM 0 H GLY A 83 9.747 -7.366 6.134 1.00 1.00 H new ATOM 0 HA2 GLY A 83 10.999 -8.468 7.689 1.00 1.00 H new ATOM 0 HA3 GLY A 83 9.552 -9.043 8.493 1.00 1.00 H new ATOM 1138 N VAL A 84 10.402 -10.277 5.552 1.00 1.00 N ATOM 1139 CA VAL A 84 10.588 -11.520 4.812 1.00 1.00 C ATOM 1140 C VAL A 84 11.560 -11.330 3.652 1.00 1.00 C ATOM 1141 O VAL A 84 11.731 -10.221 3.147 1.00 1.00 O ATOM 1142 CB VAL A 84 9.250 -12.055 4.267 1.00 1.00 C ATOM 1143 CG1 VAL A 84 8.296 -12.371 5.408 1.00 1.00 C ATOM 1144 CG2 VAL A 84 8.627 -11.059 3.301 1.00 1.00 C ATOM 0 H VAL A 84 10.443 -9.434 4.979 1.00 1.00 H new ATOM 0 HA VAL A 84 11.002 -12.246 5.512 1.00 1.00 H new ATOM 0 HB VAL A 84 9.446 -12.978 3.722 1.00 1.00 H new ATOM 0 HG11 VAL A 84 7.357 -12.748 5.003 1.00 1.00 H new ATOM 0 HG12 VAL A 84 8.741 -13.127 6.056 1.00 1.00 H new ATOM 0 HG13 VAL A 84 8.106 -11.466 5.984 1.00 1.00 H new ATOM 0 HG21 VAL A 84 7.683 -11.456 2.928 1.00 1.00 H new ATOM 0 HG22 VAL A 84 8.445 -10.116 3.817 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.306 -10.890 2.465 1.00 1.00 H new ATOM 1154 N GLN A 85 12.193 -12.421 3.235 1.00 1.00 N ATOM 1155 CA GLN A 85 13.147 -12.378 2.135 1.00 1.00 C ATOM 1156 C GLN A 85 12.475 -12.748 0.816 1.00 1.00 C ATOM 1157 O GLN A 85 12.894 -12.302 -0.252 1.00 1.00 O ATOM 1158 CB GLN A 85 14.313 -13.330 2.415 1.00 1.00 C ATOM 1159 CG GLN A 85 15.310 -13.425 1.273 1.00 1.00 C ATOM 1160 CD GLN A 85 16.493 -14.315 1.604 1.00 1.00 C ATOM 1161 OE1 GLN A 85 16.463 -15.521 1.362 1.00 1.00 O ATOM 1162 NE2 GLN A 85 17.542 -13.722 2.161 1.00 1.00 N ATOM 0 H GLN A 85 12.062 -13.347 3.643 1.00 1.00 H new ATOM 0 HA GLN A 85 13.527 -11.360 2.051 1.00 1.00 H new ATOM 0 HB2 GLN A 85 14.833 -12.999 3.314 1.00 1.00 H new ATOM 0 HB3 GLN A 85 13.917 -14.324 2.624 1.00 1.00 H new ATOM 0 HG2 GLN A 85 14.806 -13.811 0.387 1.00 1.00 H new ATOM 0 HG3 GLN A 85 15.669 -12.426 1.025 1.00 1.00 H new ATOM 0 HE21 GLN A 85 17.523 -12.719 2.344 1.00 1.00 H new ATOM 0 HE22 GLN A 85 18.367 -14.270 2.406 1.00 1.00 H new ATOM 1171 N GLU A 86 11.430 -13.566 0.897 1.00 1.00 N ATOM 1172 CA GLU A 86 10.702 -13.996 -0.291 1.00 1.00 C ATOM 1173 C GLU A 86 9.253 -14.325 0.050 1.00 1.00 C ATOM 1174 O GLU A 86 8.960 -14.835 1.131 1.00 1.00 O ATOM 1175 CB GLU A 86 11.381 -15.217 -0.915 1.00 1.00 C ATOM 1176 CG GLU A 86 11.471 -16.408 0.025 1.00 1.00 C ATOM 1177 CD GLU A 86 12.548 -17.393 -0.384 1.00 1.00 C ATOM 1178 OE1 GLU A 86 12.483 -17.906 -1.520 1.00 1.00 O ATOM 1179 OE2 GLU A 86 13.458 -17.651 0.432 1.00 1.00 O ATOM 0 H GLU A 86 11.069 -13.944 1.773 1.00 1.00 H new ATOM 0 HA GLU A 86 10.710 -13.177 -1.010 1.00 1.00 H new ATOM 0 HB2 GLU A 86 10.831 -15.511 -1.809 1.00 1.00 H new ATOM 0 HB3 GLU A 86 12.386 -14.940 -1.235 1.00 1.00 H new ATOM 0 HG2 GLU A 86 11.673 -16.054 1.036 1.00 1.00 H new ATOM 0 HG3 GLU A 86 10.508 -16.918 0.052 1.00 1.00 H new ATOM 1186 N PHE A 87 8.350 -14.028 -0.878 1.00 1.00 N ATOM 1187 CA PHE A 87 6.931 -14.292 -0.672 1.00 1.00 C ATOM 1188 C PHE A 87 6.178 -14.295 -1.999 1.00 1.00 C ATOM 1189 O PHE A 87 6.501 -13.532 -2.910 1.00 1.00 O ATOM 1190 CB PHE A 87 6.330 -13.244 0.267 1.00 1.00 C ATOM 1191 CG PHE A 87 6.307 -11.859 -0.314 1.00 1.00 C ATOM 1192 CD1 PHE A 87 7.421 -11.040 -0.231 1.00 1.00 C ATOM 1193 CD2 PHE A 87 5.170 -11.378 -0.944 1.00 1.00 C ATOM 1194 CE1 PHE A 87 7.402 -9.765 -0.766 1.00 1.00 C ATOM 1195 CE2 PHE A 87 5.145 -10.105 -1.481 1.00 1.00 C ATOM 1196 CZ PHE A 87 6.263 -9.298 -1.392 1.00 1.00 C ATOM 0 H PHE A 87 8.575 -13.605 -1.779 1.00 1.00 H new ATOM 0 HA PHE A 87 6.832 -15.278 -0.218 1.00 1.00 H new ATOM 0 HB2 PHE A 87 5.312 -13.539 0.523 1.00 1.00 H new ATOM 0 HB3 PHE A 87 6.901 -13.230 1.195 1.00 1.00 H new ATOM 0 HD1 PHE A 87 8.314 -11.401 0.257 1.00 1.00 H new ATOM 0 HD2 PHE A 87 4.294 -12.005 -1.016 1.00 1.00 H new ATOM 0 HE1 PHE A 87 8.277 -9.135 -0.694 1.00 1.00 H new ATOM 0 HE2 PHE A 87 4.253 -9.741 -1.969 1.00 1.00 H new ATOM 0 HZ PHE A 87 6.246 -8.303 -1.812 1.00 1.00 H new ATOM 1206 N SER A 88 5.170 -15.154 -2.099 1.00 1.00 N ATOM 1207 CA SER A 88 4.368 -15.252 -3.313 1.00 1.00 C ATOM 1208 C SER A 88 3.116 -14.389 -3.200 1.00 1.00 C ATOM 1209 O SER A 88 2.449 -14.379 -2.165 1.00 1.00 O ATOM 1210 CB SER A 88 3.978 -16.708 -3.577 1.00 1.00 C ATOM 1211 OG SER A 88 4.938 -17.599 -3.036 1.00 1.00 O ATOM 0 H SER A 88 4.889 -15.792 -1.355 1.00 1.00 H new ATOM 0 HA SER A 88 4.967 -14.890 -4.149 1.00 1.00 H new ATOM 0 HB2 SER A 88 3.001 -16.911 -3.139 1.00 1.00 H new ATOM 0 HB3 SER A 88 3.887 -16.875 -4.650 1.00 1.00 H new ATOM 0 HG SER A 88 4.665 -18.523 -3.216 1.00 1.00 H new ATOM 1217 N VAL A 89 2.801 -13.663 -4.268 1.00 1.00 N ATOM 1218 CA VAL A 89 1.627 -12.796 -4.279 1.00 1.00 C ATOM 1219 C VAL A 89 0.335 -13.595 -4.440 1.00 1.00 C ATOM 1220 O VAL A 89 -0.759 -13.031 -4.391 1.00 1.00 O ATOM 1221 CB VAL A 89 1.707 -11.739 -5.397 1.00 1.00 C ATOM 1222 CG1 VAL A 89 2.635 -10.608 -4.990 1.00 1.00 C ATOM 1223 CG2 VAL A 89 2.160 -12.365 -6.707 1.00 1.00 C ATOM 0 H VAL A 89 3.340 -13.657 -5.134 1.00 1.00 H new ATOM 0 HA VAL A 89 1.615 -12.291 -3.313 1.00 1.00 H new ATOM 0 HB VAL A 89 0.709 -11.328 -5.551 1.00 1.00 H new ATOM 0 HG11 VAL A 89 2.681 -9.869 -5.790 1.00 1.00 H new ATOM 0 HG12 VAL A 89 2.258 -10.137 -4.082 1.00 1.00 H new ATOM 0 HG13 VAL A 89 3.633 -11.005 -4.805 1.00 1.00 H new ATOM 0 HG21 VAL A 89 2.208 -11.598 -7.480 1.00 1.00 H new ATOM 0 HG22 VAL A 89 3.146 -12.810 -6.576 1.00 1.00 H new ATOM 0 HG23 VAL A 89 1.451 -13.137 -7.006 1.00 1.00 H new ATOM 1233 N LYS A 90 0.460 -14.907 -4.628 1.00 1.00 N ATOM 1234 CA LYS A 90 -0.705 -15.769 -4.791 1.00 1.00 C ATOM 1235 C LYS A 90 -1.655 -15.630 -3.604 1.00 1.00 C ATOM 1236 O LYS A 90 -2.873 -15.721 -3.757 1.00 1.00 O ATOM 1237 CB LYS A 90 -0.269 -17.228 -4.942 1.00 1.00 C ATOM 1238 CG LYS A 90 -1.410 -18.171 -5.286 1.00 1.00 C ATOM 1239 CD LYS A 90 -0.893 -19.519 -5.762 1.00 1.00 C ATOM 1240 CE LYS A 90 -0.422 -20.376 -4.599 1.00 1.00 C ATOM 1241 NZ LYS A 90 -1.534 -21.172 -4.009 1.00 1.00 N ATOM 0 H LYS A 90 1.355 -15.394 -4.671 1.00 1.00 H new ATOM 0 HA LYS A 90 -1.232 -15.459 -5.694 1.00 1.00 H new ATOM 0 HB2 LYS A 90 0.492 -17.293 -5.720 1.00 1.00 H new ATOM 0 HB3 LYS A 90 0.196 -17.558 -4.013 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -2.044 -18.312 -4.411 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -2.032 -17.724 -6.062 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -1.681 -20.041 -6.305 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -0.070 -19.368 -6.461 1.00 1.00 H new ATOM 0 HE2 LYS A 90 0.365 -21.049 -4.939 1.00 1.00 H new ATOM 0 HE3 LYS A 90 0.015 -19.737 -3.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -1.171 -21.743 -3.219 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -2.274 -20.530 -3.661 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -1.934 -21.800 -4.735 1.00 1.00 H new ATOM 1255 N GLU A 91 -1.087 -15.406 -2.423 1.00 1.00 N ATOM 1256 CA GLU A 91 -1.882 -15.250 -1.210 1.00 1.00 C ATOM 1257 C GLU A 91 -2.252 -13.787 -0.990 1.00 1.00 C ATOM 1258 O GLU A 91 -1.619 -13.087 -0.199 1.00 1.00 O ATOM 1259 CB GLU A 91 -1.114 -15.782 0.001 1.00 1.00 C ATOM 1260 CG GLU A 91 -1.083 -17.299 0.083 1.00 1.00 C ATOM 1261 CD GLU A 91 -2.128 -17.854 1.031 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -2.164 -17.413 2.199 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -2.911 -18.729 0.605 1.00 1.00 O ATOM 0 H GLU A 91 -0.080 -15.329 -2.280 1.00 1.00 H new ATOM 0 HA GLU A 91 -2.800 -15.826 -1.329 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -0.091 -15.407 -0.035 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -1.567 -15.386 0.910 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -1.242 -17.716 -0.911 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -0.094 -17.621 0.409 1.00 1.00 H new ATOM 1270 N HIS A 92 -3.280 -13.331 -1.698 1.00 1.00 N ATOM 1271 CA HIS A 92 -3.736 -11.950 -1.585 1.00 1.00 C ATOM 1272 C HIS A 92 -4.128 -11.618 -0.148 1.00 1.00 C ATOM 1273 O HIS A 92 -4.002 -10.475 0.291 1.00 1.00 O ATOM 1274 CB HIS A 92 -4.923 -11.708 -2.519 1.00 1.00 C ATOM 1275 CG HIS A 92 -4.530 -11.536 -3.953 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -5.444 -11.489 -4.984 1.00 1.00 N ATOM 1277 CD2 HIS A 92 -3.311 -11.396 -4.528 1.00 1.00 C ATOM 1278 CE1 HIS A 92 -4.806 -11.330 -6.130 1.00 1.00 C ATOM 1279 NE2 HIS A 92 -3.511 -11.271 -5.880 1.00 1.00 N ATOM 0 H HIS A 92 -3.814 -13.898 -2.357 1.00 1.00 H new ATOM 0 HA HIS A 92 -2.913 -11.297 -1.875 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.615 -12.546 -2.438 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -5.460 -10.819 -2.189 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -2.359 -11.385 -4.017 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -5.265 -11.260 -7.105 1.00 1.00 H new ATOM 0 HE2 HIS A 92 -2.778 -11.152 -6.579 1.00 1.00 H new ATOM 1288 N ARG A 93 -4.605 -12.623 0.579 1.00 1.00 N ATOM 1289 CA ARG A 93 -5.016 -12.435 1.966 1.00 1.00 C ATOM 1290 C ARG A 93 -3.816 -12.118 2.854 1.00 1.00 C ATOM 1291 O ARG A 93 -3.940 -11.405 3.850 1.00 1.00 O ATOM 1292 CB ARG A 93 -5.731 -13.685 2.482 1.00 1.00 C ATOM 1293 CG ARG A 93 -6.373 -13.498 3.848 1.00 1.00 C ATOM 1294 CD ARG A 93 -6.996 -14.790 4.352 1.00 1.00 C ATOM 1295 NE ARG A 93 -5.985 -15.789 4.692 1.00 1.00 N ATOM 1296 CZ ARG A 93 -6.247 -17.085 4.849 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -7.483 -17.542 4.697 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -5.269 -17.925 5.159 1.00 1.00 N ATOM 0 H ARG A 93 -4.717 -13.575 0.231 1.00 1.00 H new ATOM 0 HA ARG A 93 -5.703 -11.590 2.002 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -6.499 -13.976 1.765 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -5.017 -14.507 2.535 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -5.623 -13.153 4.560 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -7.137 -12.723 3.789 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -7.607 -14.580 5.230 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -7.662 -15.193 3.589 1.00 1.00 H new ATOM 0 HE ARG A 93 -5.022 -15.475 4.816 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -8.239 -16.900 4.459 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -7.678 -18.536 4.818 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -4.317 -17.578 5.277 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -5.469 -18.918 5.280 1.00 1.00 H new ATOM 1312 N ARG A 94 -2.656 -12.652 2.488 1.00 1.00 N ATOM 1313 CA ARG A 94 -1.435 -12.425 3.253 1.00 1.00 C ATOM 1314 C ARG A 94 -0.968 -10.979 3.117 1.00 1.00 C ATOM 1315 O ARG A 94 -0.691 -10.310 4.113 1.00 1.00 O ATOM 1316 CB ARG A 94 -0.331 -13.376 2.785 1.00 1.00 C ATOM 1317 CG ARG A 94 0.571 -13.858 3.909 1.00 1.00 C ATOM 1318 CD ARG A 94 1.129 -15.242 3.619 1.00 1.00 C ATOM 1319 NE ARG A 94 1.866 -15.785 4.758 1.00 1.00 N ATOM 1320 CZ ARG A 94 2.619 -16.881 4.700 1.00 1.00 C ATOM 1321 NH1 ARG A 94 2.738 -17.553 3.561 1.00 1.00 N ATOM 1322 NH2 ARG A 94 3.256 -17.305 5.782 1.00 1.00 N ATOM 0 H ARG A 94 -2.535 -13.245 1.667 1.00 1.00 H new ATOM 0 HA ARG A 94 -1.652 -12.620 4.303 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -0.787 -14.239 2.301 1.00 1.00 H new ATOM 0 HB3 ARG A 94 0.276 -12.873 2.033 1.00 1.00 H new ATOM 0 HG2 ARG A 94 1.392 -13.154 4.045 1.00 1.00 H new ATOM 0 HG3 ARG A 94 0.010 -13.879 4.844 1.00 1.00 H new ATOM 0 HD2 ARG A 94 0.312 -15.916 3.362 1.00 1.00 H new ATOM 0 HD3 ARG A 94 1.787 -15.193 2.751 1.00 1.00 H new ATOM 0 HE ARG A 94 1.799 -15.295 5.650 1.00 1.00 H new ATOM 0 HH11 ARG A 94 2.251 -17.230 2.725 1.00 1.00 H new ATOM 0 HH12 ARG A 94 3.316 -18.392 3.522 1.00 1.00 H new ATOM 0 HH21 ARG A 94 3.169 -16.791 6.659 1.00 1.00 H new ATOM 0 HH22 ARG A 94 3.833 -18.145 5.738 1.00 1.00 H new ATOM 1336 N ILE A 95 -0.882 -10.503 1.879 1.00 1.00 N ATOM 1337 CA ILE A 95 -0.448 -9.136 1.612 1.00 1.00 C ATOM 1338 C ILE A 95 -1.331 -8.128 2.341 1.00 1.00 C ATOM 1339 O ILE A 95 -0.841 -7.307 3.115 1.00 1.00 O ATOM 1340 CB ILE A 95 -0.465 -8.828 0.103 1.00 1.00 C ATOM 1341 CG1 ILE A 95 0.346 -9.880 -0.657 1.00 1.00 C ATOM 1342 CG2 ILE A 95 0.084 -7.431 -0.159 1.00 1.00 C ATOM 1343 CD1 ILE A 95 0.505 -9.576 -2.129 1.00 1.00 C ATOM 0 H ILE A 95 -1.107 -11.044 1.044 1.00 1.00 H new ATOM 0 HA ILE A 95 0.574 -9.048 1.979 1.00 1.00 H new ATOM 0 HB ILE A 95 -1.495 -8.862 -0.253 1.00 1.00 H new ATOM 0 HG12 ILE A 95 1.334 -9.963 -0.203 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -0.138 -10.850 -0.545 1.00 1.00 H new ATOM 0 HG21 ILE A 95 0.066 -7.228 -1.230 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -0.530 -6.695 0.361 1.00 1.00 H new ATOM 0 HG23 ILE A 95 1.110 -7.369 0.205 1.00 1.00 H new ATOM 0 HD11 ILE A 95 1.090 -10.364 -2.602 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -0.478 -9.523 -2.598 1.00 1.00 H new ATOM 0 HD13 ILE A 95 1.017 -8.621 -2.250 1.00 1.00 H new ATOM 1355 N TYR A 96 -2.637 -8.199 2.092 1.00 1.00 N ATOM 1356 CA TYR A 96 -3.589 -7.294 2.730 1.00 1.00 C ATOM 1357 C TYR A 96 -3.361 -7.245 4.239 1.00 1.00 C ATOM 1358 O TYR A 96 -3.357 -6.172 4.842 1.00 1.00 O ATOM 1359 CB TYR A 96 -5.022 -7.736 2.432 1.00 1.00 C ATOM 1360 CG TYR A 96 -6.037 -6.622 2.551 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -6.212 -5.702 1.524 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -6.822 -6.492 3.690 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -7.140 -4.683 1.630 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -7.753 -5.477 3.803 1.00 1.00 C ATOM 1365 CZ TYR A 96 -7.908 -4.575 2.771 1.00 1.00 C ATOM 1366 OH TYR A 96 -8.833 -3.563 2.880 1.00 1.00 O ATOM 0 H TYR A 96 -3.059 -8.873 1.454 1.00 1.00 H new ATOM 0 HA TYR A 96 -3.434 -6.295 2.324 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -5.064 -8.148 1.424 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -5.295 -8.539 3.116 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -5.613 -5.785 0.629 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -6.703 -7.196 4.500 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -7.263 -3.975 0.824 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -8.356 -5.390 4.695 1.00 1.00 H new ATOM 0 HH TYR A 96 -9.290 -3.629 3.744 1.00 1.00 H new ATOM 1376 N ALA A 97 -3.162 -8.415 4.839 1.00 1.00 N ATOM 1377 CA ALA A 97 -2.921 -8.504 6.273 1.00 1.00 C ATOM 1378 C ALA A 97 -1.557 -7.921 6.623 1.00 1.00 C ATOM 1379 O ALA A 97 -1.407 -7.220 7.624 1.00 1.00 O ATOM 1380 CB ALA A 97 -3.017 -9.950 6.737 1.00 1.00 C ATOM 0 H ALA A 97 -3.163 -9.312 4.354 1.00 1.00 H new ATOM 0 HA ALA A 97 -3.685 -7.923 6.789 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -2.835 -10.001 7.810 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -4.013 -10.337 6.520 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -2.273 -10.550 6.214 1.00 1.00 H new ATOM 1386 N MET A 98 -0.568 -8.211 5.784 1.00 1.00 N ATOM 1387 CA MET A 98 0.785 -7.710 5.994 1.00 1.00 C ATOM 1388 C MET A 98 0.800 -6.185 5.970 1.00 1.00 C ATOM 1389 O MET A 98 1.162 -5.538 6.954 1.00 1.00 O ATOM 1390 CB MET A 98 1.731 -8.260 4.922 1.00 1.00 C ATOM 1391 CG MET A 98 1.959 -9.759 5.022 1.00 1.00 C ATOM 1392 SD MET A 98 2.257 -10.526 3.418 1.00 1.00 S ATOM 1393 CE MET A 98 3.588 -9.503 2.793 1.00 1.00 C ATOM 0 H MET A 98 -0.678 -8.791 4.952 1.00 1.00 H new ATOM 0 HA MET A 98 1.127 -8.048 6.972 1.00 1.00 H new ATOM 0 HB2 MET A 98 1.325 -8.028 3.937 1.00 1.00 H new ATOM 0 HB3 MET A 98 2.691 -7.749 5.000 1.00 1.00 H new ATOM 0 HG2 MET A 98 2.810 -9.950 5.675 1.00 1.00 H new ATOM 0 HG3 MET A 98 1.090 -10.224 5.487 1.00 1.00 H new ATOM 0 HE1 MET A 98 4.037 -9.982 1.923 1.00 1.00 H new ATOM 0 HE2 MET A 98 3.194 -8.528 2.507 1.00 1.00 H new ATOM 0 HE3 MET A 98 4.344 -9.376 3.568 1.00 1.00 H new ATOM 1403 N ILE A 99 0.395 -5.616 4.839 1.00 1.00 N ATOM 1404 CA ILE A 99 0.352 -4.168 4.683 1.00 1.00 C ATOM 1405 C ILE A 99 -0.522 -3.526 5.757 1.00 1.00 C ATOM 1406 O ILE A 99 -0.327 -2.365 6.117 1.00 1.00 O ATOM 1407 CB ILE A 99 -0.182 -3.768 3.295 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -1.485 -4.510 2.989 1.00 1.00 C ATOM 1409 CG2 ILE A 99 0.862 -4.051 2.224 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -2.708 -3.622 3.037 1.00 1.00 C ATOM 0 H ILE A 99 0.092 -6.137 4.016 1.00 1.00 H new ATOM 0 HA ILE A 99 1.375 -3.808 4.787 1.00 1.00 H new ATOM 0 HB ILE A 99 -0.390 -2.698 3.298 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -1.413 -4.963 2.000 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -1.608 -5.323 3.704 1.00 1.00 H new ATOM 0 HG21 ILE A 99 0.470 -3.763 1.249 1.00 1.00 H new ATOM 0 HG22 ILE A 99 1.765 -3.478 2.436 1.00 1.00 H new ATOM 0 HG23 ILE A 99 1.100 -5.115 2.220 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -3.596 -4.213 2.810 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -2.805 -3.189 4.033 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -2.607 -2.823 2.302 1.00 1.00 H new ATOM 1422 N SER A 100 -1.484 -4.291 6.267 1.00 1.00 N ATOM 1423 CA SER A 100 -2.383 -3.795 7.302 1.00 1.00 C ATOM 1424 C SER A 100 -1.608 -3.453 8.570 1.00 1.00 C ATOM 1425 O SER A 100 -1.831 -2.410 9.185 1.00 1.00 O ATOM 1426 CB SER A 100 -3.462 -4.833 7.614 1.00 1.00 C ATOM 1427 OG SER A 100 -4.408 -4.323 8.539 1.00 1.00 O ATOM 0 H SER A 100 -1.660 -5.254 5.980 1.00 1.00 H new ATOM 0 HA SER A 100 -2.861 -2.889 6.931 1.00 1.00 H new ATOM 0 HB2 SER A 100 -3.969 -5.123 6.694 1.00 1.00 H new ATOM 0 HB3 SER A 100 -2.999 -5.732 8.021 1.00 1.00 H new ATOM 0 HG SER A 100 -5.088 -5.005 8.721 1.00 1.00 H new ATOM 1433 N ARG A 101 -0.692 -4.338 8.952 1.00 1.00 N ATOM 1434 CA ARG A 101 0.122 -4.129 10.143 1.00 1.00 C ATOM 1435 C ARG A 101 1.090 -2.964 9.948 1.00 1.00 C ATOM 1436 O ARG A 101 1.639 -2.435 10.915 1.00 1.00 O ATOM 1437 CB ARG A 101 0.901 -5.401 10.482 1.00 1.00 C ATOM 1438 CG ARG A 101 0.028 -6.641 10.586 1.00 1.00 C ATOM 1439 CD ARG A 101 0.865 -7.898 10.757 1.00 1.00 C ATOM 1440 NE ARG A 101 1.733 -7.824 11.930 1.00 1.00 N ATOM 1441 CZ ARG A 101 2.802 -8.595 12.112 1.00 1.00 C ATOM 1442 NH1 ARG A 101 3.137 -9.503 11.204 1.00 1.00 N ATOM 1443 NH2 ARG A 101 3.539 -8.459 13.206 1.00 1.00 N ATOM 0 H ARG A 101 -0.496 -5.206 8.454 1.00 1.00 H new ATOM 0 HA ARG A 101 -0.546 -3.887 10.969 1.00 1.00 H new ATOM 0 HB2 ARG A 101 1.661 -5.565 9.719 1.00 1.00 H new ATOM 0 HB3 ARG A 101 1.424 -5.255 11.427 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -0.653 -6.538 11.431 1.00 1.00 H new ATOM 0 HG3 ARG A 101 -0.587 -6.731 9.690 1.00 1.00 H new ATOM 0 HD2 ARG A 101 0.207 -8.762 10.847 1.00 1.00 H new ATOM 0 HD3 ARG A 101 1.473 -8.052 9.866 1.00 1.00 H new ATOM 0 HE ARG A 101 1.506 -7.141 12.652 1.00 1.00 H new ATOM 0 HH11 ARG A 101 2.574 -9.613 10.361 1.00 1.00 H new ATOM 0 HH12 ARG A 101 3.958 -10.091 11.349 1.00 1.00 H new ATOM 0 HH21 ARG A 101 3.286 -7.763 13.908 1.00 1.00 H new ATOM 0 HH22 ARG A 101 4.359 -9.050 13.346 1.00 1.00 H new ATOM 1457 N ASN A 102 1.300 -2.571 8.693 1.00 1.00 N ATOM 1458 CA ASN A 102 2.206 -1.472 8.378 1.00 1.00 C ATOM 1459 C ASN A 102 1.462 -0.141 8.294 1.00 1.00 C ATOM 1460 O ASN A 102 1.852 0.749 7.538 1.00 1.00 O ATOM 1461 CB ASN A 102 2.926 -1.745 7.057 1.00 1.00 C ATOM 1462 CG ASN A 102 3.691 -3.053 7.077 1.00 1.00 C ATOM 1463 OD1 ASN A 102 3.892 -3.652 8.134 1.00 1.00 O ATOM 1464 ND2 ASN A 102 4.123 -3.503 5.906 1.00 1.00 N ATOM 0 H ASN A 102 0.855 -2.997 7.880 1.00 1.00 H new ATOM 0 HA ASN A 102 2.937 -1.403 9.184 1.00 1.00 H new ATOM 0 HB2 ASN A 102 2.197 -1.765 6.246 1.00 1.00 H new ATOM 0 HB3 ASN A 102 3.615 -0.927 6.846 1.00 1.00 H new ATOM 0 HD21 ASN A 102 4.645 -4.378 5.857 1.00 1.00 H new ATOM 0 HD22 ASN A 102 3.934 -2.974 5.055 1.00 1.00 H new ATOM 1471 N LEU A 103 0.393 -0.007 9.073 1.00 1.00 N ATOM 1472 CA LEU A 103 -0.395 1.220 9.082 1.00 1.00 C ATOM 1473 C LEU A 103 -0.407 1.847 10.472 1.00 1.00 C ATOM 1474 O LEU A 103 -1.064 1.344 11.383 1.00 1.00 O ATOM 1475 CB LEU A 103 -1.829 0.939 8.631 1.00 1.00 C ATOM 1476 CG LEU A 103 -1.964 -0.028 7.455 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -3.397 -0.522 7.338 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -1.521 0.640 6.162 1.00 1.00 C ATOM 0 H LEU A 103 0.053 -0.732 9.705 1.00 1.00 H new ATOM 0 HA LEU A 103 0.067 1.920 8.386 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -2.387 0.537 9.477 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -2.299 1.884 8.359 1.00 1.00 H new ATOM 0 HG LEU A 103 -1.317 -0.886 7.636 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -3.477 -1.210 6.496 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -3.680 -1.037 8.256 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -4.062 0.326 7.178 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -1.624 -0.063 5.335 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -2.142 1.515 5.973 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -0.479 0.947 6.250 1.00 1.00 H new ATOM 1490 N VAL A 104 0.321 2.948 10.629 1.00 1.00 N ATOM 1491 CA VAL A 104 0.388 3.640 11.913 1.00 1.00 C ATOM 1492 C VAL A 104 -1.010 3.961 12.440 1.00 1.00 C ATOM 1493 O VAL A 104 -1.445 3.403 13.447 1.00 1.00 O ATOM 1494 CB VAL A 104 1.222 4.941 11.830 1.00 1.00 C ATOM 1495 CG1 VAL A 104 2.699 4.634 12.021 1.00 1.00 C ATOM 1496 CG2 VAL A 104 0.992 5.669 10.510 1.00 1.00 C ATOM 0 H VAL A 104 0.871 3.380 9.887 1.00 1.00 H new ATOM 0 HA VAL A 104 0.885 2.961 12.606 1.00 1.00 H new ATOM 0 HB VAL A 104 0.893 5.601 12.632 1.00 1.00 H new ATOM 0 HG11 VAL A 104 3.274 5.558 11.960 1.00 1.00 H new ATOM 0 HG12 VAL A 104 2.852 4.175 12.998 1.00 1.00 H new ATOM 0 HG13 VAL A 104 3.032 3.948 11.242 1.00 1.00 H new ATOM 0 HG21 VAL A 104 1.593 6.578 10.486 1.00 1.00 H new ATOM 0 HG22 VAL A 104 1.280 5.021 9.682 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -0.062 5.929 10.417 1.00 1.00 H new