USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 68 SER OG : rot 180:sc= -0.0778 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.628 X(o=-0.71,f=-0.38) USER MOD Set 2.1: A 42 MET CE :methyl -177:sc= -6.86! (180deg=-2.93!) USER MOD Set 2.2: A 61 MET CE :methyl -130:sc= -11.1! (180deg=-13.9!) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= -0.699 USER MOD Set 3.2: A 64 THR OG1 : rot -86:sc= 0.0482 USER MOD Single : A 21 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.1) USER MOD Single : A 23 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.000867 USER MOD Single : A 50 THR OG1 : rot 21:sc= 0.282 USER MOD Single : A 57 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.7!) USER MOD Single : A 58 GLN : amide:sc= -0.0993 K(o=-0.099,f=-0.8) USER MOD Single : A 60 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.7!) USER MOD Single : A 70 SER OG : rot -140:sc= -0.489 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -144:sc= -3.6! (180deg=-9.06!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -5.561 12.509 0.724 1.00 0.00 N ATOM 178 CA ALA A 16 -4.668 11.719 -0.107 1.00 0.00 C ATOM 179 C ALA A 16 -4.248 10.461 0.656 1.00 0.00 C ATOM 180 O ALA A 16 -3.109 10.011 0.540 1.00 0.00 O ATOM 181 CB ALA A 16 -3.470 12.574 -0.525 1.00 0.00 C ATOM 0 HA ALA A 16 -5.174 11.399 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.800 11.982 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.819 13.439 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.936 12.911 0.363 1.00 0.00 H new ATOM 187 N THR A 17 -5.191 9.929 1.421 1.00 0.00 N ATOM 188 CA THR A 17 -4.933 8.732 2.203 1.00 0.00 C ATOM 189 C THR A 17 -5.540 7.506 1.517 1.00 0.00 C ATOM 190 O THR A 17 -6.591 7.601 0.886 1.00 0.00 O ATOM 191 CB THR A 17 -5.469 8.966 3.616 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.634 9.995 4.139 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.217 7.775 4.543 1.00 0.00 C ATOM 0 H THR A 17 -6.134 10.305 1.516 1.00 0.00 H new ATOM 0 HA THR A 17 -3.865 8.529 2.275 1.00 0.00 H new ATOM 0 HB THR A 17 -6.539 9.169 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.914 10.210 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.617 7.994 5.533 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.709 6.890 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.145 7.592 4.617 1.00 0.00 H new ATOM 201 N VAL A 18 -4.852 6.384 1.665 1.00 0.00 N ATOM 202 CA VAL A 18 -5.311 5.141 1.069 1.00 0.00 C ATOM 203 C VAL A 18 -4.990 3.979 2.011 1.00 0.00 C ATOM 204 O VAL A 18 -3.981 4.006 2.715 1.00 0.00 O ATOM 205 CB VAL A 18 -4.696 4.970 -0.322 1.00 0.00 C ATOM 206 CG1 VAL A 18 -5.273 5.990 -1.306 1.00 0.00 C ATOM 207 CG2 VAL A 18 -3.170 5.068 -0.263 1.00 0.00 C ATOM 0 H VAL A 18 -3.980 6.309 2.189 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.392 5.159 0.933 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.954 3.974 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.819 5.847 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.352 5.853 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.060 6.998 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.758 4.943 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.883 6.044 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.780 4.287 0.390 1.00 0.00 H new ATOM 217 N VAL A 19 -5.867 2.986 1.994 1.00 0.00 N ATOM 218 CA VAL A 19 -5.689 1.817 2.838 1.00 0.00 C ATOM 219 C VAL A 19 -5.119 0.670 2.001 1.00 0.00 C ATOM 220 O VAL A 19 -5.604 0.397 0.904 1.00 0.00 O ATOM 221 CB VAL A 19 -7.011 1.459 3.521 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.790 0.443 4.644 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.714 2.712 4.046 1.00 0.00 C ATOM 0 H VAL A 19 -6.703 2.967 1.409 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.973 2.026 3.633 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.660 0.999 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.745 0.206 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.352 -0.466 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.115 0.865 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.651 2.429 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.072 3.213 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.922 3.387 3.216 1.00 0.00 H new ATOM 233 N VAL A 20 -4.098 0.029 2.550 1.00 0.00 N ATOM 234 CA VAL A 20 -3.457 -1.082 1.868 1.00 0.00 C ATOM 235 C VAL A 20 -3.688 -2.367 2.666 1.00 0.00 C ATOM 236 O VAL A 20 -3.774 -2.333 3.892 1.00 0.00 O ATOM 237 CB VAL A 20 -1.975 -0.775 1.645 1.00 0.00 C ATOM 238 CG1 VAL A 20 -1.251 -1.977 1.036 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.799 0.470 0.773 1.00 0.00 C ATOM 0 H VAL A 20 -3.699 0.258 3.460 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.897 -1.229 0.881 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.525 -0.571 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.199 -1.732 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.333 -2.830 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.704 -2.227 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.736 0.667 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.272 0.306 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.263 1.326 1.263 1.00 0.00 H new ATOM 249 N ASN A 21 -3.781 -3.470 1.937 1.00 0.00 N ATOM 250 CA ASN A 21 -3.999 -4.763 2.562 1.00 0.00 C ATOM 251 C ASN A 21 -3.430 -5.862 1.662 1.00 0.00 C ATOM 252 O ASN A 21 -3.148 -5.624 0.489 1.00 0.00 O ATOM 253 CB ASN A 21 -5.492 -5.036 2.755 1.00 0.00 C ATOM 254 CG ASN A 21 -6.117 -4.018 3.711 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.423 -2.894 3.349 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.289 -4.474 4.949 1.00 0.00 N ATOM 0 H ASN A 21 -3.709 -3.494 0.920 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.505 -4.756 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.000 -4.995 1.792 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.633 -6.043 3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.699 -3.871 5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.011 -5.426 5.185 1.00 0.00 H new ATOM 263 N LEU A 22 -3.278 -7.041 2.247 1.00 0.00 N ATOM 264 CA LEU A 22 -2.747 -8.177 1.513 1.00 0.00 C ATOM 265 C LEU A 22 -3.891 -9.133 1.164 1.00 0.00 C ATOM 266 O LEU A 22 -4.649 -9.545 2.041 1.00 0.00 O ATOM 267 CB LEU A 22 -1.611 -8.838 2.296 1.00 0.00 C ATOM 268 CG LEU A 22 -0.233 -8.188 2.154 1.00 0.00 C ATOM 269 CD1 LEU A 22 -0.285 -6.706 2.530 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.818 -8.948 2.966 1.00 0.00 C ATOM 0 H LEU A 22 -3.513 -7.234 3.221 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.306 -7.849 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.880 -8.845 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.535 -9.878 1.979 1.00 0.00 H new ATOM 0 HG LEU A 22 0.065 -8.245 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.707 -6.268 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.985 -6.188 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.614 -6.604 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.788 -8.465 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.537 -8.944 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.879 -9.977 2.610 1.00 0.00 H new ATOM 282 N GLN A 23 -3.978 -9.458 -0.117 1.00 0.00 N ATOM 283 CA GLN A 23 -5.016 -10.357 -0.592 1.00 0.00 C ATOM 284 C GLN A 23 -4.878 -11.727 0.077 1.00 0.00 C ATOM 285 O GLN A 23 -5.799 -12.188 0.749 1.00 0.00 O ATOM 286 CB GLN A 23 -4.975 -10.485 -2.116 1.00 0.00 C ATOM 287 CG GLN A 23 -5.788 -9.372 -2.781 1.00 0.00 C ATOM 288 CD GLN A 23 -7.283 -9.700 -2.765 1.00 0.00 C ATOM 289 OE1 GLN A 23 -8.029 -9.273 -1.900 1.00 0.00 O ATOM 290 NE2 GLN A 23 -7.676 -10.481 -3.768 1.00 0.00 N ATOM 0 H GLN A 23 -3.347 -9.115 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.985 -9.938 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.942 -10.441 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.370 -11.456 -2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.613 -8.430 -2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.453 -9.237 -3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.998 -10.803 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.655 -10.757 -3.846 1.00 0.00 H new ATOM 299 N SER A 24 -3.721 -12.337 -0.131 1.00 0.00 N ATOM 300 CA SER A 24 -3.451 -13.645 0.443 1.00 0.00 C ATOM 301 C SER A 24 -2.126 -13.617 1.208 1.00 0.00 C ATOM 302 O SER A 24 -1.137 -14.198 0.765 1.00 0.00 O ATOM 303 CB SER A 24 -3.417 -14.725 -0.639 1.00 0.00 C ATOM 304 OG SER A 24 -4.572 -15.559 -0.598 1.00 0.00 O ATOM 0 H SER A 24 -2.960 -11.950 -0.689 1.00 0.00 H new ATOM 0 HA SER A 24 -4.257 -13.888 1.135 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.345 -14.254 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.524 -15.337 -0.513 1.00 0.00 H new ATOM 0 HG SER A 24 -4.513 -16.235 -1.306 1.00 0.00 H new ATOM 310 N PRO A 25 -2.150 -12.917 2.374 1.00 0.00 N ATOM 311 CA PRO A 25 -0.963 -12.806 3.205 1.00 0.00 C ATOM 312 C PRO A 25 -0.694 -14.112 3.954 1.00 0.00 C ATOM 313 O PRO A 25 -1.513 -15.030 3.924 1.00 0.00 O ATOM 314 CB PRO A 25 -1.241 -11.635 4.134 1.00 0.00 C ATOM 315 CG PRO A 25 -2.747 -11.430 4.107 1.00 0.00 C ATOM 316 CD PRO A 25 -3.304 -12.216 2.931 1.00 0.00 C ATOM 0 HA PRO A 25 -0.058 -12.630 2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.894 -11.848 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.719 -10.739 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.195 -11.771 5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.986 -10.371 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.075 -12.916 3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.760 -11.555 2.194 1.00 0.00 H new ATOM 324 N THR A 26 0.457 -14.155 4.609 1.00 0.00 N ATOM 325 CA THR A 26 0.844 -15.334 5.365 1.00 0.00 C ATOM 326 C THR A 26 0.576 -15.123 6.857 1.00 0.00 C ATOM 327 O THR A 26 0.301 -14.005 7.290 1.00 0.00 O ATOM 328 CB THR A 26 2.309 -15.639 5.048 1.00 0.00 C ATOM 329 OG1 THR A 26 2.440 -15.317 3.666 1.00 0.00 O ATOM 330 CG2 THR A 26 2.624 -17.135 5.113 1.00 0.00 C ATOM 0 H THR A 26 1.134 -13.392 4.632 1.00 0.00 H new ATOM 0 HA THR A 26 0.247 -16.200 5.079 1.00 0.00 H new ATOM 0 HB THR A 26 2.950 -15.102 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.361 -15.484 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.677 -17.296 4.880 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.413 -17.508 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.007 -17.669 4.390 1.00 0.00 H new ATOM 338 N LEU A 27 0.667 -16.215 7.602 1.00 0.00 N ATOM 339 CA LEU A 27 0.439 -16.163 9.036 1.00 0.00 C ATOM 340 C LEU A 27 1.235 -15.001 9.634 1.00 0.00 C ATOM 341 O LEU A 27 0.706 -14.226 10.429 1.00 0.00 O ATOM 342 CB LEU A 27 0.751 -17.517 9.677 1.00 0.00 C ATOM 343 CG LEU A 27 -0.394 -18.532 9.693 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.603 -19.144 8.306 1.00 0.00 C ATOM 345 CD2 LEU A 27 -0.164 -19.601 10.762 1.00 0.00 C ATOM 0 H LEU A 27 0.895 -17.141 7.240 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.613 -15.970 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.596 -17.960 9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.072 -17.345 10.704 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.312 -18.007 9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.422 -19.862 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.845 -18.356 7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.309 -19.651 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.992 -20.310 10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.767 -20.128 10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.103 -19.128 11.742 1.00 0.00 H new ATOM 357 N GLU A 28 2.493 -14.918 9.228 1.00 0.00 N ATOM 358 CA GLU A 28 3.367 -13.864 9.714 1.00 0.00 C ATOM 359 C GLU A 28 2.759 -12.491 9.417 1.00 0.00 C ATOM 360 O GLU A 28 3.024 -11.524 10.130 1.00 0.00 O ATOM 361 CB GLU A 28 4.766 -13.987 9.105 1.00 0.00 C ATOM 362 CG GLU A 28 4.703 -13.955 7.576 1.00 0.00 C ATOM 363 CD GLU A 28 5.871 -13.157 6.996 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.118 -12.049 7.520 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.492 -13.672 6.041 1.00 0.00 O ATOM 0 H GLU A 28 2.928 -15.563 8.568 1.00 0.00 H new ATOM 0 HA GLU A 28 3.466 -13.970 10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.396 -13.173 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.229 -14.917 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.724 -14.973 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.760 -13.511 7.257 1.00 0.00 H new ATOM 372 N GLU A 29 1.956 -12.450 8.365 1.00 0.00 N ATOM 373 CA GLU A 29 1.308 -11.212 7.965 1.00 0.00 C ATOM 374 C GLU A 29 -0.068 -11.097 8.624 1.00 0.00 C ATOM 375 O GLU A 29 -0.457 -10.020 9.073 1.00 0.00 O ATOM 376 CB GLU A 29 1.197 -11.118 6.442 1.00 0.00 C ATOM 377 CG GLU A 29 2.536 -10.722 5.818 1.00 0.00 C ATOM 378 CD GLU A 29 2.878 -11.628 4.633 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.980 -11.812 3.782 1.00 0.00 O ATOM 380 OE2 GLU A 29 4.028 -12.115 4.604 1.00 0.00 O ATOM 0 H GLU A 29 1.739 -13.254 7.777 1.00 0.00 H new ATOM 0 HA GLU A 29 1.922 -10.377 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.873 -12.077 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.436 -10.385 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.494 -9.684 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.324 -10.786 6.568 1.00 0.00 H new ATOM 387 N LYS A 30 -0.767 -12.222 8.660 1.00 0.00 N ATOM 388 CA LYS A 30 -2.092 -12.261 9.256 1.00 0.00 C ATOM 389 C LYS A 30 -2.018 -11.727 10.688 1.00 0.00 C ATOM 390 O LYS A 30 -3.027 -11.303 11.250 1.00 0.00 O ATOM 391 CB LYS A 30 -2.684 -13.668 9.154 1.00 0.00 C ATOM 392 CG LYS A 30 -3.635 -13.777 7.960 1.00 0.00 C ATOM 393 CD LYS A 30 -4.723 -14.821 8.220 1.00 0.00 C ATOM 394 CE LYS A 30 -4.582 -16.009 7.266 1.00 0.00 C ATOM 395 NZ LYS A 30 -5.829 -16.206 6.495 1.00 0.00 N ATOM 0 H LYS A 30 -0.441 -13.113 8.286 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.776 -11.612 8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.881 -14.398 9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.219 -13.909 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.095 -12.808 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.073 -14.047 7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.660 -15.169 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.706 -14.366 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.749 -15.838 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.351 -16.912 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.716 -17.016 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.616 -16.390 7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.033 -15.350 5.940 1.00 0.00 H new ATOM 409 N ASN A 31 -0.813 -11.766 11.239 1.00 0.00 N ATOM 410 CA ASN A 31 -0.594 -11.291 12.594 1.00 0.00 C ATOM 411 C ASN A 31 -0.337 -9.783 12.567 1.00 0.00 C ATOM 412 O ASN A 31 -1.001 -9.024 13.272 1.00 0.00 O ATOM 413 CB ASN A 31 0.625 -11.967 13.224 1.00 0.00 C ATOM 414 CG ASN A 31 0.270 -12.589 14.577 1.00 0.00 C ATOM 415 OD1 ASN A 31 0.208 -11.923 15.597 1.00 0.00 O ATOM 416 ND2 ASN A 31 0.043 -13.898 14.527 1.00 0.00 N ATOM 0 H ASN A 31 0.022 -12.119 10.771 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.481 -11.527 13.181 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.004 -12.738 12.554 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.424 -11.237 13.354 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.200 -14.406 15.377 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.112 -14.394 13.638 1.00 0.00 H new ATOM 423 N GLU A 32 0.627 -9.394 11.747 1.00 0.00 N ATOM 424 CA GLU A 32 0.980 -7.990 11.619 1.00 0.00 C ATOM 425 C GLU A 32 1.878 -7.778 10.398 1.00 0.00 C ATOM 426 O GLU A 32 2.760 -8.590 10.123 1.00 0.00 O ATOM 427 CB GLU A 32 1.655 -7.476 12.892 1.00 0.00 C ATOM 428 CG GLU A 32 0.658 -6.721 13.774 1.00 0.00 C ATOM 429 CD GLU A 32 1.297 -5.466 14.373 1.00 0.00 C ATOM 430 OE1 GLU A 32 2.288 -5.633 15.116 1.00 0.00 O ATOM 431 OE2 GLU A 32 0.779 -4.368 14.073 1.00 0.00 O ATOM 0 H GLU A 32 1.175 -10.026 11.164 1.00 0.00 H new ATOM 0 HA GLU A 32 0.064 -7.417 11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.077 -8.313 13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.484 -6.819 12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.216 -6.443 13.185 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.309 -7.373 14.575 1.00 0.00 H new ATOM 438 N PHE A 33 1.623 -6.682 9.699 1.00 0.00 N ATOM 439 CA PHE A 33 2.397 -6.352 8.515 1.00 0.00 C ATOM 440 C PHE A 33 3.898 -6.443 8.798 1.00 0.00 C ATOM 441 O PHE A 33 4.377 -5.913 9.799 1.00 0.00 O ATOM 442 CB PHE A 33 2.047 -4.911 8.138 1.00 0.00 C ATOM 443 CG PHE A 33 2.042 -4.646 6.631 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.215 -4.469 5.968 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.863 -4.587 5.956 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.210 -4.223 4.569 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.858 -4.340 4.557 1.00 0.00 C ATOM 448 CZ PHE A 33 2.032 -4.164 3.893 1.00 0.00 C ATOM 0 H PHE A 33 0.891 -6.011 9.930 1.00 0.00 H new ATOM 0 HA PHE A 33 2.163 -7.050 7.711 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.064 -4.669 8.542 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.761 -4.238 8.613 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.151 -4.515 6.505 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.069 -4.728 6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.142 -4.083 4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.078 -4.292 4.021 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.028 -3.977 2.829 1.00 0.00 H new ATOM 458 N PRO A 34 4.616 -7.136 7.874 1.00 0.00 N ATOM 459 CA PRO A 34 6.053 -7.302 8.015 1.00 0.00 C ATOM 460 C PRO A 34 6.791 -6.008 7.669 1.00 0.00 C ATOM 461 O PRO A 34 6.310 -5.210 6.865 1.00 0.00 O ATOM 462 CB PRO A 34 6.408 -8.454 7.089 1.00 0.00 C ATOM 463 CG PRO A 34 5.244 -8.585 6.121 1.00 0.00 C ATOM 464 CD PRO A 34 4.082 -7.777 6.676 1.00 0.00 C ATOM 0 HA PRO A 34 6.352 -7.524 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.338 -8.255 6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.554 -9.376 7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.526 -8.219 5.134 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.960 -9.631 6.005 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.732 -7.039 5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.233 -8.417 6.914 1.00 0.00 H new ATOM 472 N GLU A 35 7.948 -5.839 8.292 1.00 0.00 N ATOM 473 CA GLU A 35 8.758 -4.655 8.060 1.00 0.00 C ATOM 474 C GLU A 35 9.493 -4.769 6.724 1.00 0.00 C ATOM 475 O GLU A 35 9.786 -3.760 6.084 1.00 0.00 O ATOM 476 CB GLU A 35 9.742 -4.430 9.210 1.00 0.00 C ATOM 477 CG GLU A 35 9.282 -3.279 10.107 1.00 0.00 C ATOM 478 CD GLU A 35 10.151 -3.182 11.363 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.390 -3.212 11.200 1.00 0.00 O ATOM 480 OE2 GLU A 35 9.556 -3.081 12.458 1.00 0.00 O ATOM 0 H GLU A 35 8.344 -6.503 8.958 1.00 0.00 H new ATOM 0 HA GLU A 35 8.097 -3.789 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.832 -5.342 9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.732 -4.210 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.330 -2.341 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.241 -3.429 10.392 1.00 0.00 H new ATOM 487 N ASP A 36 9.771 -6.006 6.341 1.00 0.00 N ATOM 488 CA ASP A 36 10.467 -6.265 5.091 1.00 0.00 C ATOM 489 C ASP A 36 9.560 -5.884 3.919 1.00 0.00 C ATOM 490 O ASP A 36 10.040 -5.636 2.814 1.00 0.00 O ATOM 491 CB ASP A 36 10.819 -7.748 4.954 1.00 0.00 C ATOM 492 CG ASP A 36 12.203 -8.135 5.480 1.00 0.00 C ATOM 493 OD1 ASP A 36 13.093 -7.258 5.436 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.339 -9.299 5.915 1.00 0.00 O ATOM 0 H ASP A 36 9.527 -6.841 6.874 1.00 0.00 H new ATOM 0 HA ASP A 36 11.383 -5.675 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.068 -8.335 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.756 -8.025 3.902 1.00 0.00 H new ATOM 499 N LEU A 37 8.266 -5.849 4.201 1.00 0.00 N ATOM 500 CA LEU A 37 7.288 -5.502 3.183 1.00 0.00 C ATOM 501 C LEU A 37 6.981 -4.006 3.267 1.00 0.00 C ATOM 502 O LEU A 37 6.985 -3.310 2.252 1.00 0.00 O ATOM 503 CB LEU A 37 6.050 -6.392 3.306 1.00 0.00 C ATOM 504 CG LEU A 37 6.224 -7.848 2.867 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.873 -8.563 2.793 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.992 -7.935 1.547 1.00 0.00 C ATOM 0 H LEU A 37 7.872 -6.055 5.119 1.00 0.00 H new ATOM 0 HA LEU A 37 7.690 -5.690 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.723 -6.383 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.248 -5.949 2.716 1.00 0.00 H new ATOM 0 HG LEU A 37 6.820 -8.363 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.025 -9.596 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.399 -8.548 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.232 -8.055 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.102 -8.980 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.444 -7.400 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.978 -7.487 1.670 1.00 0.00 H new ATOM 518 N ARG A 38 6.722 -3.554 4.485 1.00 0.00 N ATOM 519 CA ARG A 38 6.413 -2.153 4.714 1.00 0.00 C ATOM 520 C ARG A 38 7.293 -1.265 3.833 1.00 0.00 C ATOM 521 O ARG A 38 6.827 -0.716 2.836 1.00 0.00 O ATOM 522 CB ARG A 38 6.625 -1.775 6.181 1.00 0.00 C ATOM 523 CG ARG A 38 5.306 -1.815 6.954 1.00 0.00 C ATOM 524 CD ARG A 38 5.444 -2.645 8.232 1.00 0.00 C ATOM 525 NE ARG A 38 4.658 -2.028 9.324 1.00 0.00 N ATOM 526 CZ ARG A 38 5.092 -1.010 10.080 1.00 0.00 C ATOM 527 NH1 ARG A 38 6.308 -0.489 9.867 1.00 0.00 N ATOM 528 NH2 ARG A 38 4.310 -0.514 11.048 1.00 0.00 N ATOM 0 H ARG A 38 6.720 -4.134 5.324 1.00 0.00 H new ATOM 0 HA ARG A 38 5.365 -1.998 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.339 -2.461 6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.057 -0.776 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.998 -0.801 7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.524 -2.238 6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.097 -3.663 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.493 -2.712 8.521 1.00 0.00 H new ATOM 0 HE ARG A 38 3.728 -2.401 9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.903 -0.867 9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.639 0.286 10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.384 -0.911 11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.640 0.261 11.623 1.00 0.00 H new ATOM 542 N THR A 39 8.551 -1.150 4.233 1.00 0.00 N ATOM 543 CA THR A 39 9.501 -0.338 3.492 1.00 0.00 C ATOM 544 C THR A 39 9.314 -0.538 1.987 1.00 0.00 C ATOM 545 O THR A 39 9.149 0.428 1.244 1.00 0.00 O ATOM 546 CB THR A 39 10.907 -0.690 3.982 1.00 0.00 C ATOM 547 OG1 THR A 39 10.920 -0.260 5.340 1.00 0.00 O ATOM 548 CG2 THR A 39 11.990 0.159 3.312 1.00 0.00 C ATOM 0 H THR A 39 8.934 -1.606 5.061 1.00 0.00 H new ATOM 0 HA THR A 39 9.336 0.725 3.669 1.00 0.00 H new ATOM 0 HB THR A 39 11.103 -1.745 3.792 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.796 -0.452 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.968 -0.131 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.961 0.001 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.813 1.212 3.529 1.00 0.00 H new ATOM 556 N GLU A 40 9.347 -1.799 1.581 1.00 0.00 N ATOM 557 CA GLU A 40 9.183 -2.139 0.178 1.00 0.00 C ATOM 558 C GLU A 40 7.966 -1.417 -0.404 1.00 0.00 C ATOM 559 O GLU A 40 8.028 -0.880 -1.509 1.00 0.00 O ATOM 560 CB GLU A 40 9.065 -3.653 -0.010 1.00 0.00 C ATOM 561 CG GLU A 40 10.386 -4.351 0.321 1.00 0.00 C ATOM 562 CD GLU A 40 11.472 -3.976 -0.689 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.350 -4.427 -1.848 1.00 0.00 O ATOM 564 OE2 GLU A 40 12.400 -3.245 -0.278 1.00 0.00 O ATOM 0 H GLU A 40 9.485 -2.598 2.200 1.00 0.00 H new ATOM 0 HA GLU A 40 10.070 -1.808 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.273 -4.042 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.780 -3.874 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.707 -4.073 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.241 -5.431 0.320 1.00 0.00 H new ATOM 571 N LEU A 41 6.887 -1.429 0.365 1.00 0.00 N ATOM 572 CA LEU A 41 5.658 -0.783 -0.060 1.00 0.00 C ATOM 573 C LEU A 41 5.798 0.732 0.108 1.00 0.00 C ATOM 574 O LEU A 41 5.645 1.484 -0.853 1.00 0.00 O ATOM 575 CB LEU A 41 4.457 -1.375 0.680 1.00 0.00 C ATOM 576 CG LEU A 41 3.665 -2.446 -0.075 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.312 -3.822 0.088 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.197 -2.447 0.356 1.00 0.00 C ATOM 0 H LEU A 41 6.839 -1.876 1.280 1.00 0.00 H new ATOM 0 HA LEU A 41 5.476 -0.971 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.809 -1.805 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.777 -0.563 0.937 1.00 0.00 H new ATOM 0 HG LEU A 41 3.688 -2.204 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.730 -4.565 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.328 -3.795 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.340 -4.088 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.657 -3.217 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.132 -2.652 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.755 -1.473 0.146 1.00 0.00 H new ATOM 590 N MET A 42 6.087 1.134 1.337 1.00 0.00 N ATOM 591 CA MET A 42 6.249 2.545 1.644 1.00 0.00 C ATOM 592 C MET A 42 7.094 3.244 0.578 1.00 0.00 C ATOM 593 O MET A 42 6.796 4.371 0.184 1.00 0.00 O ATOM 594 CB MET A 42 6.922 2.696 3.010 1.00 0.00 C ATOM 595 CG MET A 42 6.072 2.064 4.114 1.00 0.00 C ATOM 596 SD MET A 42 4.424 2.750 4.083 1.00 0.00 S ATOM 597 CE MET A 42 3.464 1.260 4.291 1.00 0.00 C ATOM 0 H MET A 42 6.213 0.507 2.132 1.00 0.00 H new ATOM 0 HA MET A 42 5.263 3.010 1.661 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.905 2.225 2.989 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.079 3.753 3.227 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.028 0.984 3.977 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.531 2.243 5.086 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.402 1.501 4.241 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.713 0.553 3.500 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.689 0.814 5.260 1.00 0.00 H new ATOM 607 N GLN A 43 8.132 2.547 0.140 1.00 0.00 N ATOM 608 CA GLN A 43 9.022 3.087 -0.874 1.00 0.00 C ATOM 609 C GLN A 43 8.389 2.957 -2.260 1.00 0.00 C ATOM 610 O GLN A 43 8.314 3.932 -3.006 1.00 0.00 O ATOM 611 CB GLN A 43 10.388 2.398 -0.827 1.00 0.00 C ATOM 612 CG GLN A 43 11.036 2.558 0.549 1.00 0.00 C ATOM 613 CD GLN A 43 11.791 3.885 0.648 1.00 0.00 C ATOM 614 OE1 GLN A 43 11.339 4.842 1.255 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.963 3.890 0.020 1.00 0.00 N ATOM 0 H GLN A 43 8.377 1.613 0.469 1.00 0.00 H new ATOM 0 HA GLN A 43 9.178 4.146 -0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.273 1.339 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.040 2.822 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.270 2.513 1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.722 1.731 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.283 3.054 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.542 4.729 0.028 1.00 0.00 H new ATOM 624 N THR A 44 7.949 1.744 -2.564 1.00 0.00 N ATOM 625 CA THR A 44 7.325 1.474 -3.847 1.00 0.00 C ATOM 626 C THR A 44 6.207 2.483 -4.120 1.00 0.00 C ATOM 627 O THR A 44 6.292 3.270 -5.062 1.00 0.00 O ATOM 628 CB THR A 44 6.844 0.022 -3.843 1.00 0.00 C ATOM 629 OG1 THR A 44 8.045 -0.741 -3.925 1.00 0.00 O ATOM 630 CG2 THR A 44 6.081 -0.346 -5.117 1.00 0.00 C ATOM 0 H THR A 44 8.013 0.937 -1.943 1.00 0.00 H new ATOM 0 HA THR A 44 8.036 1.594 -4.665 1.00 0.00 H new ATOM 0 HB THR A 44 6.205 -0.146 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.452 -0.807 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.762 -1.387 -5.062 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.206 0.297 -5.216 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.730 -0.210 -5.982 1.00 0.00 H new ATOM 638 N LEU A 45 5.186 2.428 -3.278 1.00 0.00 N ATOM 639 CA LEU A 45 4.053 3.327 -3.416 1.00 0.00 C ATOM 640 C LEU A 45 4.538 4.774 -3.302 1.00 0.00 C ATOM 641 O LEU A 45 4.195 5.615 -4.131 1.00 0.00 O ATOM 642 CB LEU A 45 2.956 2.966 -2.412 1.00 0.00 C ATOM 643 CG LEU A 45 2.676 1.472 -2.234 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.471 1.245 -1.319 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.506 0.781 -3.588 1.00 0.00 C ATOM 0 H LEU A 45 5.120 1.775 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 45 3.600 3.219 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.227 3.383 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.032 3.454 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 45 3.539 1.018 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.294 0.175 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.670 1.682 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.590 1.716 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.308 -0.280 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.671 1.231 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.418 0.898 -4.173 1.00 0.00 H new ATOM 657 N GLY A 46 5.328 5.019 -2.267 1.00 0.00 N ATOM 658 CA GLY A 46 5.864 6.349 -2.033 1.00 0.00 C ATOM 659 C GLY A 46 6.543 6.895 -3.291 1.00 0.00 C ATOM 660 O GLY A 46 6.402 8.073 -3.615 1.00 0.00 O ATOM 0 H GLY A 46 5.610 4.319 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.061 7.020 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.581 6.317 -1.213 1.00 0.00 H new ATOM 664 N SER A 47 7.266 6.013 -3.966 1.00 0.00 N ATOM 665 CA SER A 47 7.967 6.391 -5.180 1.00 0.00 C ATOM 666 C SER A 47 7.017 7.133 -6.123 1.00 0.00 C ATOM 667 O SER A 47 7.216 8.313 -6.409 1.00 0.00 O ATOM 668 CB SER A 47 8.559 5.166 -5.880 1.00 0.00 C ATOM 669 OG SER A 47 9.962 5.297 -6.088 1.00 0.00 O ATOM 0 H SER A 47 7.381 5.037 -3.694 1.00 0.00 H new ATOM 0 HA SER A 47 8.790 7.052 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.363 4.276 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.062 5.021 -6.839 1.00 0.00 H new ATOM 0 HG SER A 47 10.303 4.494 -6.536 1.00 0.00 H new ATOM 675 N TYR A 48 6.005 6.411 -6.581 1.00 0.00 N ATOM 676 CA TYR A 48 5.024 6.985 -7.485 1.00 0.00 C ATOM 677 C TYR A 48 4.724 8.440 -7.117 1.00 0.00 C ATOM 678 O TYR A 48 4.794 9.326 -7.966 1.00 0.00 O ATOM 679 CB TYR A 48 3.751 6.155 -7.310 1.00 0.00 C ATOM 680 CG TYR A 48 3.712 4.887 -8.167 1.00 0.00 C ATOM 681 CD1 TYR A 48 4.282 3.721 -7.699 1.00 0.00 C ATOM 682 CD2 TYR A 48 3.108 4.911 -9.407 1.00 0.00 C ATOM 683 CE1 TYR A 48 4.246 2.528 -8.505 1.00 0.00 C ATOM 684 CE2 TYR A 48 3.071 3.719 -10.213 1.00 0.00 C ATOM 685 CZ TYR A 48 3.642 2.586 -9.723 1.00 0.00 C ATOM 686 OH TYR A 48 3.608 1.460 -10.484 1.00 0.00 O ATOM 0 H TYR A 48 5.843 5.433 -6.342 1.00 0.00 H new ATOM 0 HA TYR A 48 5.394 6.972 -8.510 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.653 5.875 -6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.889 6.775 -7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.755 3.703 -6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.663 5.824 -9.773 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.688 1.609 -8.151 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.600 3.724 -11.185 1.00 0.00 H new ATOM 0 HH TYR A 48 3.145 1.649 -11.327 1.00 0.00 H new ATOM 696 N GLY A 49 4.396 8.640 -5.849 1.00 0.00 N ATOM 697 CA GLY A 49 4.085 9.971 -5.357 1.00 0.00 C ATOM 698 C GLY A 49 5.073 10.399 -4.270 1.00 0.00 C ATOM 699 O GLY A 49 6.286 10.316 -4.461 1.00 0.00 O ATOM 0 H GLY A 49 4.339 7.902 -5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.115 10.683 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.071 9.987 -4.958 1.00 0.00 H new ATOM 703 N THR A 50 4.519 10.848 -3.154 1.00 0.00 N ATOM 704 CA THR A 50 5.336 11.290 -2.037 1.00 0.00 C ATOM 705 C THR A 50 4.677 10.907 -0.710 1.00 0.00 C ATOM 706 O THR A 50 3.483 11.131 -0.519 1.00 0.00 O ATOM 707 CB THR A 50 5.570 12.794 -2.188 1.00 0.00 C ATOM 708 OG1 THR A 50 6.752 12.884 -2.979 1.00 0.00 O ATOM 709 CG2 THR A 50 5.955 13.462 -0.866 1.00 0.00 C ATOM 0 H THR A 50 3.513 10.915 -2.999 1.00 0.00 H new ATOM 0 HA THR A 50 6.307 10.794 -2.036 1.00 0.00 H new ATOM 0 HB THR A 50 4.669 13.263 -2.584 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.886 12.043 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.110 14.529 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.156 13.318 -0.139 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.874 13.016 -0.487 1.00 0.00 H new ATOM 717 N ILE A 51 5.485 10.336 0.172 1.00 0.00 N ATOM 718 CA ILE A 51 4.995 9.920 1.475 1.00 0.00 C ATOM 719 C ILE A 51 4.948 11.132 2.408 1.00 0.00 C ATOM 720 O ILE A 51 5.986 11.620 2.852 1.00 0.00 O ATOM 721 CB ILE A 51 5.833 8.760 2.017 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.721 7.533 1.110 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.454 8.440 3.464 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.361 6.852 1.274 1.00 0.00 C ATOM 0 H ILE A 51 6.475 10.152 0.010 1.00 0.00 H new ATOM 0 HA ILE A 51 3.977 9.538 1.395 1.00 0.00 H new ATOM 0 HB ILE A 51 6.879 9.065 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.860 7.831 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.516 6.827 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.064 7.612 3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.626 9.317 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.401 8.162 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.308 5.983 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.236 6.534 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.569 7.553 1.012 1.00 0.00 H new ATOM 736 N VAL A 52 3.732 11.584 2.677 1.00 0.00 N ATOM 737 CA VAL A 52 3.535 12.730 3.549 1.00 0.00 C ATOM 738 C VAL A 52 3.203 12.241 4.960 1.00 0.00 C ATOM 739 O VAL A 52 3.292 13.002 5.922 1.00 0.00 O ATOM 740 CB VAL A 52 2.462 13.652 2.968 1.00 0.00 C ATOM 741 CG1 VAL A 52 2.848 14.127 1.565 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.095 12.964 2.956 1.00 0.00 C ATOM 0 H VAL A 52 2.873 11.177 2.306 1.00 0.00 H new ATOM 0 HA VAL A 52 4.449 13.320 3.616 1.00 0.00 H new ATOM 0 HB VAL A 52 2.390 14.529 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.068 14.781 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.790 14.674 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.961 13.265 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.350 13.641 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.147 12.062 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.813 12.698 3.975 1.00 0.00 H new ATOM 752 N LEU A 53 2.827 10.973 5.039 1.00 0.00 N ATOM 753 CA LEU A 53 2.480 10.373 6.316 1.00 0.00 C ATOM 754 C LEU A 53 1.952 8.956 6.083 1.00 0.00 C ATOM 755 O LEU A 53 1.351 8.677 5.047 1.00 0.00 O ATOM 756 CB LEU A 53 1.510 11.272 7.085 1.00 0.00 C ATOM 757 CG LEU A 53 0.655 10.581 8.149 1.00 0.00 C ATOM 758 CD1 LEU A 53 -0.344 9.616 7.508 1.00 0.00 C ATOM 759 CD2 LEU A 53 1.533 9.887 9.192 1.00 0.00 C ATOM 0 H LEU A 53 2.755 10.344 4.239 1.00 0.00 H new ATOM 0 HA LEU A 53 3.364 10.284 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.084 12.064 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.844 11.752 6.368 1.00 0.00 H new ATOM 0 HG LEU A 53 0.077 11.344 8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.939 9.138 8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.001 10.167 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.196 8.854 6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.900 9.404 9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.155 9.137 8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.170 10.625 9.680 1.00 0.00 H new ATOM 771 N VAL A 54 2.196 8.099 7.063 1.00 0.00 N ATOM 772 CA VAL A 54 1.752 6.718 6.978 1.00 0.00 C ATOM 773 C VAL A 54 1.364 6.224 8.373 1.00 0.00 C ATOM 774 O VAL A 54 1.893 6.703 9.375 1.00 0.00 O ATOM 775 CB VAL A 54 2.835 5.860 6.320 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.030 6.253 4.854 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.152 5.953 7.093 1.00 0.00 C ATOM 0 H VAL A 54 2.696 8.334 7.921 1.00 0.00 H new ATOM 0 HA VAL A 54 0.866 6.640 6.348 1.00 0.00 H new ATOM 0 HB VAL A 54 2.503 4.822 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.805 5.628 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.095 6.112 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.329 7.299 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.905 5.334 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.490 6.989 7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.000 5.602 8.114 1.00 0.00 H new ATOM 787 N ARG A 55 0.442 5.273 8.394 1.00 0.00 N ATOM 788 CA ARG A 55 -0.024 4.709 9.649 1.00 0.00 C ATOM 789 C ARG A 55 -0.592 3.306 9.423 1.00 0.00 C ATOM 790 O ARG A 55 -1.614 3.147 8.758 1.00 0.00 O ATOM 791 CB ARG A 55 -1.101 5.592 10.284 1.00 0.00 C ATOM 792 CG ARG A 55 -1.168 5.373 11.796 1.00 0.00 C ATOM 793 CD ARG A 55 -2.530 4.814 12.210 1.00 0.00 C ATOM 794 NE ARG A 55 -2.699 4.923 13.676 1.00 0.00 N ATOM 795 CZ ARG A 55 -2.910 6.077 14.324 1.00 0.00 C ATOM 796 NH1 ARG A 55 -2.980 7.227 13.639 1.00 0.00 N ATOM 797 NH2 ARG A 55 -3.051 6.081 15.656 1.00 0.00 N ATOM 0 H ARG A 55 0.005 4.879 7.561 1.00 0.00 H new ATOM 0 HA ARG A 55 0.830 4.654 10.325 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.887 6.640 10.074 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.070 5.368 9.837 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.380 4.685 12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.986 6.316 12.312 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.325 5.360 11.703 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.613 3.771 11.903 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.652 4.066 14.228 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.873 7.224 12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.141 8.105 14.132 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.998 5.206 16.177 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.212 6.959 16.149 1.00 0.00 H new ATOM 811 N ILE A 56 0.096 2.326 9.990 1.00 0.00 N ATOM 812 CA ILE A 56 -0.327 0.942 9.859 1.00 0.00 C ATOM 813 C ILE A 56 -1.123 0.537 11.101 1.00 0.00 C ATOM 814 O ILE A 56 -0.817 0.974 12.209 1.00 0.00 O ATOM 815 CB ILE A 56 0.875 0.039 9.577 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.168 -0.032 8.077 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.673 -1.349 10.188 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.471 -0.787 7.808 1.00 0.00 C ATOM 0 H ILE A 56 0.943 2.463 10.541 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.991 0.826 9.003 1.00 0.00 H new ATOM 0 HB ILE A 56 1.751 0.477 10.055 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.344 -0.528 7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.237 0.976 7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.542 -1.971 9.973 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.551 -1.257 11.267 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.218 -1.809 9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.656 -0.823 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.297 -0.275 8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.390 -1.802 8.196 1.00 0.00 H new ATOM 830 N ASN A 57 -2.130 -0.295 10.874 1.00 0.00 N ATOM 831 CA ASN A 57 -2.972 -0.764 11.961 1.00 0.00 C ATOM 832 C ASN A 57 -2.766 -2.269 12.147 1.00 0.00 C ATOM 833 O ASN A 57 -2.290 -2.951 11.241 1.00 0.00 O ATOM 834 CB ASN A 57 -4.452 -0.524 11.654 1.00 0.00 C ATOM 835 CG ASN A 57 -5.157 0.140 12.838 1.00 0.00 C ATOM 836 OD1 ASN A 57 -4.686 0.123 13.964 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.308 0.725 12.523 1.00 0.00 N ATOM 0 H ASN A 57 -2.381 -0.656 9.954 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.697 -0.215 12.862 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.546 0.107 10.770 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.937 -1.472 11.422 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.854 1.197 13.244 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.645 0.702 11.561 1.00 0.00 H new ATOM 844 N GLN A 58 -3.134 -2.742 13.329 1.00 0.00 N ATOM 845 CA GLN A 58 -2.995 -4.154 13.645 1.00 0.00 C ATOM 846 C GLN A 58 -3.033 -4.991 12.365 1.00 0.00 C ATOM 847 O GLN A 58 -2.197 -5.872 12.171 1.00 0.00 O ATOM 848 CB GLN A 58 -4.078 -4.604 14.628 1.00 0.00 C ATOM 849 CG GLN A 58 -3.763 -4.128 16.047 1.00 0.00 C ATOM 850 CD GLN A 58 -2.651 -4.971 16.675 1.00 0.00 C ATOM 851 OE1 GLN A 58 -2.581 -6.177 16.504 1.00 0.00 O ATOM 852 NE2 GLN A 58 -1.790 -4.272 17.408 1.00 0.00 N ATOM 0 H GLN A 58 -3.528 -2.173 14.079 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.028 -4.306 14.125 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.045 -4.210 14.315 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.157 -5.691 14.615 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.461 -3.081 16.024 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.661 -4.188 16.662 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.907 -3.264 17.509 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.012 -4.744 17.869 1.00 0.00 H new ATOM 861 N GLY A 59 -4.012 -4.687 11.526 1.00 0.00 N ATOM 862 CA GLY A 59 -4.170 -5.400 10.270 1.00 0.00 C ATOM 863 C GLY A 59 -4.605 -4.452 9.151 1.00 0.00 C ATOM 864 O GLY A 59 -5.546 -4.745 8.415 1.00 0.00 O ATOM 0 H GLY A 59 -4.704 -3.956 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.229 -5.880 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.909 -6.192 10.388 1.00 0.00 H new ATOM 868 N GLN A 60 -3.900 -3.334 9.059 1.00 0.00 N ATOM 869 CA GLN A 60 -4.202 -2.341 8.042 1.00 0.00 C ATOM 870 C GLN A 60 -2.961 -1.501 7.735 1.00 0.00 C ATOM 871 O GLN A 60 -1.979 -1.544 8.475 1.00 0.00 O ATOM 872 CB GLN A 60 -5.372 -1.454 8.473 1.00 0.00 C ATOM 873 CG GLN A 60 -6.307 -1.170 7.296 1.00 0.00 C ATOM 874 CD GLN A 60 -7.444 -0.234 7.712 1.00 0.00 C ATOM 875 OE1 GLN A 60 -7.460 0.944 7.396 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.391 -0.823 8.437 1.00 0.00 N ATOM 0 H GLN A 60 -3.121 -3.094 9.672 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.499 -2.861 7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.927 -1.942 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.992 -0.515 8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.742 -0.721 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.721 -2.106 6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.316 -1.814 8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.193 -0.284 8.764 1.00 0.00 H new ATOM 885 N MET A 61 -3.045 -0.755 6.643 1.00 0.00 N ATOM 886 CA MET A 61 -1.940 0.093 6.230 1.00 0.00 C ATOM 887 C MET A 61 -2.451 1.373 5.564 1.00 0.00 C ATOM 888 O MET A 61 -2.657 1.407 4.352 1.00 0.00 O ATOM 889 CB MET A 61 -1.048 -0.671 5.249 1.00 0.00 C ATOM 890 CG MET A 61 -0.062 0.272 4.557 1.00 0.00 C ATOM 891 SD MET A 61 1.190 -0.674 3.705 1.00 0.00 S ATOM 892 CE MET A 61 1.358 0.302 2.220 1.00 0.00 C ATOM 0 H MET A 61 -3.861 -0.720 6.032 1.00 0.00 H new ATOM 0 HA MET A 61 -1.368 0.369 7.116 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.500 -1.450 5.780 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.666 -1.169 4.502 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.592 0.910 3.850 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.404 0.928 5.292 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.291 -0.348 1.348 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.562 1.045 2.181 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.325 0.806 2.223 1.00 0.00 H new ATOM 902 N LEU A 62 -2.642 2.394 6.387 1.00 0.00 N ATOM 903 CA LEU A 62 -3.125 3.672 5.893 1.00 0.00 C ATOM 904 C LEU A 62 -1.935 4.525 5.448 1.00 0.00 C ATOM 905 O LEU A 62 -1.216 5.076 6.279 1.00 0.00 O ATOM 906 CB LEU A 62 -4.010 4.351 6.940 1.00 0.00 C ATOM 907 CG LEU A 62 -5.253 3.572 7.375 1.00 0.00 C ATOM 908 CD1 LEU A 62 -4.987 2.788 8.661 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.462 4.500 7.509 1.00 0.00 C ATOM 0 H LEU A 62 -2.471 2.362 7.392 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.759 3.527 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.404 4.552 7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.330 5.316 6.546 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.489 2.845 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.887 2.244 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.173 2.082 8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.711 3.479 9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.332 3.921 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.251 5.267 8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.665 4.974 6.549 1.00 0.00 H new ATOM 921 N VAL A 63 -1.765 4.607 4.136 1.00 0.00 N ATOM 922 CA VAL A 63 -0.675 5.383 3.570 1.00 0.00 C ATOM 923 C VAL A 63 -1.226 6.696 3.011 1.00 0.00 C ATOM 924 O VAL A 63 -2.246 6.703 2.324 1.00 0.00 O ATOM 925 CB VAL A 63 0.070 4.553 2.522 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.099 5.405 1.778 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.729 3.329 3.160 1.00 0.00 C ATOM 0 H VAL A 63 -2.364 4.149 3.449 1.00 0.00 H new ATOM 0 HA VAL A 63 0.053 5.637 4.341 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.660 4.199 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.614 4.791 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.594 6.230 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.824 5.803 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.252 2.756 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.441 3.653 3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.035 2.704 3.622 1.00 0.00 H new ATOM 937 N THR A 64 -0.526 7.776 3.326 1.00 0.00 N ATOM 938 CA THR A 64 -0.933 9.092 2.864 1.00 0.00 C ATOM 939 C THR A 64 0.063 9.626 1.833 1.00 0.00 C ATOM 940 O THR A 64 1.257 9.342 1.912 1.00 0.00 O ATOM 941 CB THR A 64 -1.084 9.998 4.088 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.950 9.268 4.954 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.861 11.278 3.777 1.00 0.00 C ATOM 0 H THR A 64 0.320 7.767 3.895 1.00 0.00 H new ATOM 0 HA THR A 64 -1.894 9.051 2.352 1.00 0.00 H new ATOM 0 HB THR A 64 -0.097 10.257 4.472 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.883 9.459 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.939 11.884 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.338 11.842 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.860 11.021 3.425 1.00 0.00 H new ATOM 951 N PHE A 65 -0.464 10.392 0.889 1.00 0.00 N ATOM 952 CA PHE A 65 0.364 10.968 -0.157 1.00 0.00 C ATOM 953 C PHE A 65 0.224 12.492 -0.189 1.00 0.00 C ATOM 954 O PHE A 65 -0.575 13.061 0.553 1.00 0.00 O ATOM 955 CB PHE A 65 -0.131 10.395 -1.486 1.00 0.00 C ATOM 956 CG PHE A 65 0.231 8.924 -1.703 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.537 8.545 -1.744 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.752 7.997 -1.855 1.00 0.00 C ATOM 959 CE1 PHE A 65 1.873 7.180 -1.945 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.415 6.632 -2.056 1.00 0.00 C ATOM 961 CZ PHE A 65 0.890 6.252 -2.096 1.00 0.00 C ATOM 0 H PHE A 65 -1.455 10.627 0.827 1.00 0.00 H new ATOM 0 HA PHE A 65 1.412 10.729 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.215 10.503 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.286 10.985 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.318 9.282 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.789 8.298 -1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.910 6.879 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.196 5.896 -2.177 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.146 5.214 -2.248 1.00 0.00 H new ATOM 971 N ALA A 66 1.014 13.108 -1.056 1.00 0.00 N ATOM 972 CA ALA A 66 0.989 14.554 -1.195 1.00 0.00 C ATOM 973 C ALA A 66 -0.018 14.941 -2.280 1.00 0.00 C ATOM 974 O ALA A 66 -0.636 16.002 -2.208 1.00 0.00 O ATOM 975 CB ALA A 66 2.399 15.063 -1.500 1.00 0.00 C ATOM 0 H ALA A 66 1.676 12.632 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 66 0.668 15.023 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.380 16.148 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.069 14.789 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.754 14.616 -2.428 1.00 0.00 H new ATOM 981 N ASP A 67 -0.152 14.059 -3.260 1.00 0.00 N ATOM 982 CA ASP A 67 -1.073 14.295 -4.358 1.00 0.00 C ATOM 983 C ASP A 67 -2.102 13.164 -4.406 1.00 0.00 C ATOM 984 O ASP A 67 -1.933 12.137 -3.751 1.00 0.00 O ATOM 985 CB ASP A 67 -0.336 14.321 -5.699 1.00 0.00 C ATOM 986 CG ASP A 67 -0.193 15.707 -6.331 1.00 0.00 C ATOM 987 OD1 ASP A 67 -1.168 16.482 -6.225 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.887 15.959 -6.907 1.00 0.00 O ATOM 0 H ASP A 67 0.362 13.180 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.555 15.258 -4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.659 13.898 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.862 13.672 -6.399 1.00 0.00 H new ATOM 993 N SER A 68 -3.147 13.391 -5.189 1.00 0.00 N ATOM 994 CA SER A 68 -4.204 12.404 -5.331 1.00 0.00 C ATOM 995 C SER A 68 -3.923 11.507 -6.538 1.00 0.00 C ATOM 996 O SER A 68 -4.047 10.286 -6.451 1.00 0.00 O ATOM 997 CB SER A 68 -5.570 13.077 -5.477 1.00 0.00 C ATOM 998 OG SER A 68 -5.702 13.754 -6.724 1.00 0.00 O ATOM 0 H SER A 68 -3.284 14.244 -5.731 1.00 0.00 H new ATOM 0 HA SER A 68 -4.225 11.793 -4.429 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.355 12.326 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.713 13.787 -4.662 1.00 0.00 H new ATOM 0 HG SER A 68 -6.588 14.169 -6.779 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.549 12.146 -7.637 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.249 11.421 -8.860 1.00 0.00 C ATOM 1006 C HIS A 69 -2.367 10.214 -8.537 1.00 0.00 C ATOM 1007 O HIS A 69 -2.466 9.176 -9.190 1.00 0.00 O ATOM 1008 CB HIS A 69 -2.625 12.350 -9.903 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.262 13.718 -9.968 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -2.558 14.858 -10.314 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -4.545 14.115 -9.728 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.389 15.889 -10.280 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -4.620 15.427 -9.916 1.00 0.00 N ATOM 0 H HIS A 69 -3.447 13.159 -7.706 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.172 11.045 -9.300 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.564 12.465 -9.683 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.698 11.880 -10.884 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.361 13.471 -9.435 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.136 16.915 -10.502 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.460 15.996 -9.806 1.00 0.00 H new ATOM 1021 N SER A 70 -1.523 10.390 -7.531 1.00 0.00 N ATOM 1022 CA SER A 70 -0.623 9.327 -7.114 1.00 0.00 C ATOM 1023 C SER A 70 -1.428 8.130 -6.606 1.00 0.00 C ATOM 1024 O SER A 70 -1.301 7.024 -7.130 1.00 0.00 O ATOM 1025 CB SER A 70 0.342 9.816 -6.033 1.00 0.00 C ATOM 1026 OG SER A 70 1.168 8.764 -5.540 1.00 0.00 O ATOM 0 H SER A 70 -1.443 11.252 -6.992 1.00 0.00 H new ATOM 0 HA SER A 70 -0.033 9.019 -7.977 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.969 10.610 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.225 10.248 -5.209 1.00 0.00 H new ATOM 0 HG SER A 70 1.270 8.856 -4.570 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.239 8.391 -5.591 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.064 7.348 -5.006 1.00 0.00 C ATOM 1034 C ALA A 71 -3.924 6.710 -6.099 1.00 0.00 C ATOM 1035 O ALA A 71 -4.202 5.513 -6.056 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.906 7.938 -3.872 1.00 0.00 C ATOM 0 H ALA A 71 -2.342 9.309 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.442 6.563 -4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.525 7.155 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.248 8.352 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.545 8.728 -4.266 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.322 7.539 -7.053 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.145 7.071 -8.156 1.00 0.00 C ATOM 1044 C LEU A 72 -4.466 5.871 -8.819 1.00 0.00 C ATOM 1045 O LEU A 72 -5.031 4.779 -8.863 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.448 8.217 -9.122 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.177 7.937 -10.602 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -5.923 6.685 -11.068 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -5.513 9.157 -11.461 1.00 0.00 C ATOM 0 H LEU A 72 -4.090 8.532 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.113 6.729 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.497 8.492 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.858 9.083 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.112 7.741 -10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.714 6.508 -12.123 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.593 5.826 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.995 6.828 -10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.311 8.931 -12.508 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.567 9.408 -11.340 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.901 10.002 -11.148 1.00 0.00 H new ATOM 1061 N SER A 73 -3.263 6.113 -9.319 1.00 0.00 N ATOM 1062 CA SER A 73 -2.501 5.066 -9.978 1.00 0.00 C ATOM 1063 C SER A 73 -2.072 4.010 -8.957 1.00 0.00 C ATOM 1064 O SER A 73 -2.272 2.816 -9.172 1.00 0.00 O ATOM 1065 CB SER A 73 -1.278 5.642 -10.693 1.00 0.00 C ATOM 1066 OG SER A 73 -1.447 5.663 -12.108 1.00 0.00 O ATOM 0 H SER A 73 -2.797 7.020 -9.281 1.00 0.00 H new ATOM 0 HA SER A 73 -3.139 4.599 -10.728 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.092 6.655 -10.335 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.399 5.049 -10.442 1.00 0.00 H new ATOM 0 HG SER A 73 -0.645 6.039 -12.528 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.489 4.489 -7.868 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.029 3.602 -6.813 1.00 0.00 C ATOM 1074 C VAL A 74 -2.172 2.673 -6.399 1.00 0.00 C ATOM 1075 O VAL A 74 -1.937 1.539 -5.987 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.471 4.420 -5.647 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.251 3.539 -4.415 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.821 5.135 -6.048 1.00 0.00 C ATOM 0 H VAL A 74 -1.325 5.480 -7.693 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.213 2.974 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.208 5.180 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.146 4.145 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.199 3.097 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.457 2.746 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.197 5.709 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.567 4.398 -6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.621 5.807 -6.882 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.386 3.190 -6.524 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.567 2.422 -6.168 1.00 0.00 C ATOM 1090 C LEU A 75 -4.708 1.238 -7.127 1.00 0.00 C ATOM 1091 O LEU A 75 -4.928 0.107 -6.695 1.00 0.00 O ATOM 1092 CB LEU A 75 -5.800 3.325 -6.121 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.086 4.001 -4.778 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -7.066 5.163 -4.947 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.575 2.984 -3.746 1.00 0.00 C ATOM 0 H LEU A 75 -3.577 4.131 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.465 2.010 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.687 4.100 -6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.671 2.732 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.153 4.419 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.252 5.626 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.641 5.902 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.005 4.791 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.771 3.490 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.492 2.515 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.811 2.221 -3.597 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.575 1.538 -8.411 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.685 0.513 -9.434 1.00 0.00 C ATOM 1109 C ASP A 76 -3.431 -0.363 -9.410 1.00 0.00 C ATOM 1110 O ASP A 76 -3.521 -1.585 -9.515 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.801 1.136 -10.827 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.187 1.677 -11.181 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.429 2.864 -10.873 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.974 0.891 -11.752 1.00 0.00 O ATOM 0 H ASP A 76 -4.392 2.477 -8.766 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.578 -0.076 -9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.079 1.949 -10.906 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.520 0.387 -11.568 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.290 0.297 -9.272 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.019 -0.406 -9.232 1.00 0.00 C ATOM 1121 C VAL A 77 -1.069 -1.479 -8.143 1.00 0.00 C ATOM 1122 O VAL A 77 -0.305 -2.443 -8.182 1.00 0.00 O ATOM 1123 CB VAL A 77 0.125 0.591 -9.038 1.00 0.00 C ATOM 1124 CG1 VAL A 77 1.410 -0.124 -8.616 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.349 1.423 -10.302 1.00 0.00 C ATOM 0 H VAL A 77 -2.219 1.311 -9.187 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.833 -0.913 -10.179 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.158 1.272 -8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.207 0.608 -8.485 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.242 -0.650 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.698 -0.840 -9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.168 2.123 -10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.599 0.763 -11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.560 1.977 -10.539 1.00 0.00 H new ATOM 1135 N ASP A 78 -1.974 -1.277 -7.198 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.133 -2.215 -6.100 1.00 0.00 C ATOM 1137 C ASP A 78 -2.098 -3.644 -6.647 1.00 0.00 C ATOM 1138 O ASP A 78 -1.656 -4.564 -5.961 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.474 -2.013 -5.392 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.684 -2.605 -6.118 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.765 -2.400 -7.348 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.502 -3.250 -5.426 1.00 0.00 O ATOM 0 H ASP A 78 -2.606 -0.477 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.322 -2.045 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.413 -2.456 -4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.638 -0.944 -5.255 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.569 -3.784 -7.877 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.597 -5.085 -8.524 1.00 0.00 C ATOM 1149 C GLY A 79 -1.225 -5.759 -8.460 1.00 0.00 C ATOM 1150 O GLY A 79 -1.120 -6.976 -8.606 1.00 0.00 O ATOM 0 H GLY A 79 -2.934 -3.018 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.341 -5.719 -8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.902 -4.971 -9.564 1.00 0.00 H new ATOM 1154 N MET A 80 -0.208 -4.938 -8.242 1.00 0.00 N ATOM 1155 CA MET A 80 1.153 -5.439 -8.157 1.00 0.00 C ATOM 1156 C MET A 80 1.251 -6.593 -7.157 1.00 0.00 C ATOM 1157 O MET A 80 0.307 -6.858 -6.415 1.00 0.00 O ATOM 1158 CB MET A 80 2.088 -4.308 -7.725 1.00 0.00 C ATOM 1159 CG MET A 80 2.241 -4.275 -6.203 1.00 0.00 C ATOM 1160 SD MET A 80 3.085 -2.783 -5.706 1.00 0.00 S ATOM 1161 CE MET A 80 1.683 -1.722 -5.395 1.00 0.00 C ATOM 0 H MET A 80 -0.299 -3.929 -8.122 1.00 0.00 H new ATOM 0 HA MET A 80 1.446 -5.809 -9.140 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.065 -4.441 -8.190 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.696 -3.353 -8.076 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.260 -4.323 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.800 -5.148 -5.867 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.924 -0.703 -5.697 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.825 -2.076 -5.966 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.443 -1.738 -4.332 1.00 0.00 H new ATOM 1171 N LYS A 81 2.402 -7.249 -7.170 1.00 0.00 N ATOM 1172 CA LYS A 81 2.635 -8.369 -6.274 1.00 0.00 C ATOM 1173 C LYS A 81 3.947 -8.146 -5.518 1.00 0.00 C ATOM 1174 O LYS A 81 4.978 -7.863 -6.126 1.00 0.00 O ATOM 1175 CB LYS A 81 2.586 -9.691 -7.043 1.00 0.00 C ATOM 1176 CG LYS A 81 1.147 -10.198 -7.168 1.00 0.00 C ATOM 1177 CD LYS A 81 0.866 -10.704 -8.584 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.442 -10.122 -9.125 1.00 0.00 C ATOM 1179 NZ LYS A 81 -1.319 -11.201 -9.631 1.00 0.00 N ATOM 0 H LYS A 81 3.183 -7.026 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 81 1.842 -8.432 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.015 -9.555 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.195 -10.436 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.977 -11.001 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.452 -9.396 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.690 -10.429 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.810 -11.793 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.954 -9.568 -8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.228 -9.414 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.202 -10.789 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.835 -11.712 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.538 -11.862 -8.858 1.00 0.00 H new ATOM 1193 N VAL A 82 3.865 -8.283 -4.203 1.00 0.00 N ATOM 1194 CA VAL A 82 5.033 -8.100 -3.358 1.00 0.00 C ATOM 1195 C VAL A 82 5.373 -9.425 -2.671 1.00 0.00 C ATOM 1196 O VAL A 82 4.537 -9.998 -1.974 1.00 0.00 O ATOM 1197 CB VAL A 82 4.790 -6.959 -2.368 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.320 -6.903 -1.947 1.00 0.00 C ATOM 1199 CG2 VAL A 82 5.704 -7.086 -1.148 1.00 0.00 C ATOM 0 H VAL A 82 3.008 -8.518 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 82 5.897 -7.813 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 82 5.032 -6.023 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.174 -6.084 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.696 -6.742 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.042 -7.843 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.510 -6.262 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.509 -8.033 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.745 -7.054 -1.469 1.00 0.00 H new ATOM 1209 N LYS A 83 6.600 -9.872 -2.892 1.00 0.00 N ATOM 1210 CA LYS A 83 7.060 -11.118 -2.304 1.00 0.00 C ATOM 1211 C LYS A 83 6.148 -12.259 -2.758 1.00 0.00 C ATOM 1212 O LYS A 83 5.867 -13.177 -1.990 1.00 0.00 O ATOM 1213 CB LYS A 83 7.167 -10.985 -0.783 1.00 0.00 C ATOM 1214 CG LYS A 83 8.601 -10.658 -0.361 1.00 0.00 C ATOM 1215 CD LYS A 83 9.065 -9.335 -0.974 1.00 0.00 C ATOM 1216 CE LYS A 83 10.583 -9.321 -1.164 1.00 0.00 C ATOM 1217 NZ LYS A 83 10.926 -9.367 -2.603 1.00 0.00 N ATOM 0 H LYS A 83 7.290 -9.393 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 83 8.065 -11.355 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.494 -10.202 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.848 -11.913 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.660 -10.600 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.268 -11.461 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.573 -9.183 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.768 -8.508 -0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.004 -8.422 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.028 -10.174 -0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.960 -9.357 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.541 -10.237 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.518 -8.540 -3.084 1.00 0.00 H new ATOM 1231 N GLY A 84 5.711 -12.164 -4.005 1.00 0.00 N ATOM 1232 CA GLY A 84 4.837 -13.177 -4.572 1.00 0.00 C ATOM 1233 C GLY A 84 3.442 -13.108 -3.947 1.00 0.00 C ATOM 1234 O GLY A 84 2.592 -13.953 -4.223 1.00 0.00 O ATOM 0 H GLY A 84 5.946 -11.400 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.764 -13.037 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.265 -14.166 -4.407 1.00 0.00 H new ATOM 1238 N ARG A 85 3.250 -12.094 -3.116 1.00 0.00 N ATOM 1239 CA ARG A 85 1.972 -11.904 -2.450 1.00 0.00 C ATOM 1240 C ARG A 85 1.177 -10.791 -3.135 1.00 0.00 C ATOM 1241 O ARG A 85 1.719 -9.727 -3.429 1.00 0.00 O ATOM 1242 CB ARG A 85 2.168 -11.548 -0.975 1.00 0.00 C ATOM 1243 CG ARG A 85 2.904 -12.667 -0.234 1.00 0.00 C ATOM 1244 CD ARG A 85 2.644 -12.590 1.272 1.00 0.00 C ATOM 1245 NE ARG A 85 3.913 -12.343 1.993 1.00 0.00 N ATOM 1246 CZ ARG A 85 4.932 -13.211 2.039 1.00 0.00 C ATOM 1247 NH1 ARG A 85 4.838 -14.390 1.408 1.00 0.00 N ATOM 1248 NH2 ARG A 85 6.046 -12.902 2.717 1.00 0.00 N ATOM 0 H ARG A 85 3.958 -11.395 -2.889 1.00 0.00 H new ATOM 0 HA ARG A 85 1.421 -12.842 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.733 -10.620 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.199 -11.373 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.578 -13.635 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.974 -12.593 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.933 -11.792 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.194 -13.520 1.620 1.00 0.00 H new ATOM 0 HE ARG A 85 4.018 -11.456 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.990 -14.626 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.614 -15.051 1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.118 -12.006 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.822 -13.563 2.752 1.00 0.00 H new ATOM 1262 N ALA A 86 -0.096 -11.075 -3.369 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.972 -10.111 -4.013 1.00 0.00 C ATOM 1264 C ALA A 86 -1.436 -9.081 -2.982 1.00 0.00 C ATOM 1265 O ALA A 86 -1.984 -9.442 -1.942 1.00 0.00 O ATOM 1266 CB ALA A 86 -2.142 -10.845 -4.672 1.00 0.00 C ATOM 0 H ALA A 86 -0.542 -11.959 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.440 -9.574 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.799 -10.122 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.760 -11.543 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.701 -11.393 -3.914 1.00 0.00 H new ATOM 1272 N VAL A 87 -1.199 -7.818 -3.306 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.585 -6.733 -2.421 1.00 0.00 C ATOM 1274 C VAL A 87 -2.836 -6.049 -2.976 1.00 0.00 C ATOM 1275 O VAL A 87 -3.230 -6.297 -4.115 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.412 -5.770 -2.230 1.00 0.00 C ATOM 1277 CG1 VAL A 87 -0.040 -5.090 -3.550 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.724 -4.733 -1.149 1.00 0.00 C ATOM 0 H VAL A 87 -0.744 -7.522 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.836 -7.118 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 87 0.448 -6.352 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.797 -4.411 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.245 -5.846 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.896 -4.528 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.126 -4.061 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.604 -4.159 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.917 -5.240 -0.204 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.426 -5.202 -2.146 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.624 -4.480 -2.540 1.00 0.00 C ATOM 1290 C LYS A 88 -4.643 -3.115 -1.848 1.00 0.00 C ATOM 1291 O LYS A 88 -4.250 -2.997 -0.689 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.872 -5.324 -2.268 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.831 -5.284 -3.460 1.00 0.00 C ATOM 1294 CD LYS A 88 -8.130 -6.027 -3.142 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.272 -5.541 -4.038 1.00 0.00 C ATOM 1296 NZ LYS A 88 -10.432 -6.454 -3.939 1.00 0.00 N ATOM 0 H LYS A 88 -3.097 -4.999 -1.202 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.620 -4.294 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.581 -6.355 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.378 -4.954 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.054 -4.249 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.354 -5.734 -4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.984 -7.098 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.394 -5.875 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.568 -4.534 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.932 -5.486 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.198 -6.110 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.149 -7.408 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.765 -6.486 -2.954 1.00 0.00 H new ATOM 1310 N ILE A 89 -5.104 -2.118 -2.590 1.00 0.00 N ATOM 1311 CA ILE A 89 -5.178 -0.766 -2.063 1.00 0.00 C ATOM 1312 C ILE A 89 -6.575 -0.199 -2.323 1.00 0.00 C ATOM 1313 O ILE A 89 -7.005 -0.101 -3.471 1.00 0.00 O ATOM 1314 CB ILE A 89 -4.049 0.094 -2.633 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.689 -0.573 -2.417 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -4.092 1.510 -2.053 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.657 -0.052 -3.420 1.00 0.00 C ATOM 0 H ILE A 89 -5.430 -2.220 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.030 -0.769 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.197 0.182 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.343 -0.381 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.789 -1.653 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.279 2.101 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.046 1.976 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.982 1.463 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.699 -0.542 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.994 -0.267 -4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.541 1.025 -3.297 1.00 0.00 H new ATOM 1329 N SER A 90 -7.244 0.162 -1.238 1.00 0.00 N ATOM 1330 CA SER A 90 -8.583 0.717 -1.334 1.00 0.00 C ATOM 1331 C SER A 90 -8.555 2.211 -1.008 1.00 0.00 C ATOM 1332 O SER A 90 -7.541 2.730 -0.543 1.00 0.00 O ATOM 1333 CB SER A 90 -9.551 -0.012 -0.399 1.00 0.00 C ATOM 1334 OG SER A 90 -9.891 -1.307 -0.887 1.00 0.00 O ATOM 0 H SER A 90 -6.883 0.081 -0.287 1.00 0.00 H new ATOM 0 HA SER A 90 -8.936 0.581 -2.356 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.101 -0.104 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.458 0.581 -0.282 1.00 0.00 H new ATOM 0 HG SER A 90 -10.509 -1.740 -0.262 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.680 2.862 -1.264 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.797 4.287 -1.003 1.00 0.00 C ATOM 1342 C GLY A 91 -10.896 4.568 0.024 1.00 0.00 C ATOM 1343 O GLY A 91 -12.076 4.358 -0.252 1.00 0.00 O ATOM 0 H GLY A 91 -10.519 2.429 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.845 4.673 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.019 4.813 -1.931 1.00 0.00 H new