USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 94 SER OG : rot 124:sc= 1.34 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0.598 USER MOD Set 2.1: A 54 ASN :FLIP amide:sc= -2.15! C(o=-2.7!,f=-1.4!) USER MOD Set 2.2: A 93 SER OG : rot 84:sc= 0.744 USER MOD Single : A 31 SER OG : rot 47:sc= 1.05 USER MOD Single : A 35 HIS : no HD1:sc= -0.066 K(o=-0.066,f=-0.74) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.96 F(o=-3.7!,f=-2) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.649 F(o=-1.4,f=-0.65) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -3.3! C(o=-6.4!,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 38:sc= -0.262 USER MOD Single : A 71 THR OG1 : rot -67:sc= 1.29 USER MOD Single : A 80 SER OG : rot 40:sc= -2.23! USER MOD Single : A 85 SER OG : rot -111:sc= 0.958 USER MOD Single : A 88 TYR OH : rot 165:sc= 0.543 USER MOD Single : A 92 THR OG1 : rot 11:sc= 1.12 USER MOD Single : A 98 SER OG : rot 31:sc= 0.244 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 101 THR OG1 : rot 88:sc= -0.0138! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -126:sc= -0.385 USER MOD Single : A 106 ASN : amide:sc= -11.1! C(o=-11!,f=-13!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -13.174 1.756 4.113 1.00 0.00 N ATOM 213 CA GLU A 28 -11.697 1.698 4.028 1.00 0.00 C ATOM 214 C GLU A 28 -11.307 2.458 2.760 1.00 0.00 C ATOM 215 O GLU A 28 -11.181 3.665 2.751 1.00 0.00 O ATOM 216 CB GLU A 28 -11.306 0.219 3.930 1.00 0.00 C ATOM 217 CG GLU A 28 -11.783 -0.501 5.197 1.00 0.00 C ATOM 218 CD GLU A 28 -12.399 -1.844 4.796 1.00 0.00 C ATOM 219 OE1 GLU A 28 -11.718 -2.546 4.066 1.00 0.00 O ATOM 220 OE2 GLU A 28 -13.510 -2.086 5.238 1.00 0.00 O ATOM 0 HA GLU A 28 -11.195 2.139 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.756 -0.233 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.226 0.120 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.948 -0.657 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.517 0.109 5.725 1.00 0.00 H new ATOM 227 N VAL A 29 -11.051 1.685 1.747 1.00 0.00 N ATOM 228 CA VAL A 29 -10.701 2.227 0.401 1.00 0.00 C ATOM 229 C VAL A 29 -10.887 1.135 -0.627 1.00 0.00 C ATOM 230 O VAL A 29 -11.794 1.143 -1.437 1.00 0.00 O ATOM 231 CB VAL A 29 -9.253 2.705 0.285 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.886 2.708 -1.202 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.161 4.152 0.727 1.00 0.00 C ATOM 0 H VAL A 29 -11.070 0.666 1.794 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.354 3.084 0.239 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.609 2.063 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.856 3.045 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.987 1.700 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.553 3.381 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.129 4.493 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.798 4.768 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.490 4.238 1.763 1.00 0.00 H new ATOM 243 N GLU A 30 -9.970 0.212 -0.536 1.00 0.00 N ATOM 244 CA GLU A 30 -9.985 -0.918 -1.501 1.00 0.00 C ATOM 245 C GLU A 30 -9.705 -2.259 -0.835 1.00 0.00 C ATOM 246 O GLU A 30 -8.659 -2.478 -0.256 1.00 0.00 O ATOM 247 CB GLU A 30 -8.917 -0.659 -2.565 1.00 0.00 C ATOM 248 CG GLU A 30 -8.971 -1.779 -3.611 1.00 0.00 C ATOM 249 CD GLU A 30 -7.836 -1.573 -4.618 1.00 0.00 C ATOM 250 OE1 GLU A 30 -6.701 -1.673 -4.181 1.00 0.00 O ATOM 251 OE2 GLU A 30 -8.170 -1.328 -5.766 1.00 0.00 O ATOM 0 H GLU A 30 -9.221 0.192 0.156 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.982 -0.973 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.085 0.308 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.929 -0.621 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.874 -2.751 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.934 -1.772 -4.122 1.00 0.00 H new ATOM 258 N SER A 31 -10.679 -3.117 -0.928 1.00 0.00 N ATOM 259 CA SER A 31 -10.516 -4.483 -0.357 1.00 0.00 C ATOM 260 C SER A 31 -10.202 -5.460 -1.494 1.00 0.00 C ATOM 261 O SER A 31 -11.049 -5.815 -2.290 1.00 0.00 O ATOM 262 CB SER A 31 -11.804 -4.897 0.354 1.00 0.00 C ATOM 263 OG SER A 31 -12.809 -4.758 -0.639 1.00 0.00 O ATOM 0 H SER A 31 -11.579 -2.934 -1.373 1.00 0.00 H new ATOM 0 HA SER A 31 -9.699 -4.492 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.745 -5.922 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.005 -4.261 1.216 1.00 0.00 H new ATOM 0 HG SER A 31 -12.506 -5.176 -1.472 1.00 0.00 H new ATOM 269 N LEU A 32 -8.959 -5.852 -1.554 1.00 0.00 N ATOM 270 CA LEU A 32 -8.543 -6.798 -2.632 1.00 0.00 C ATOM 271 C LEU A 32 -7.999 -8.125 -2.086 1.00 0.00 C ATOM 272 O LEU A 32 -7.165 -8.166 -1.203 1.00 0.00 O ATOM 273 CB LEU A 32 -7.461 -6.126 -3.484 1.00 0.00 C ATOM 274 CG LEU A 32 -7.320 -6.904 -4.802 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.543 -6.628 -5.684 1.00 0.00 C ATOM 276 CD2 LEU A 32 -6.067 -6.421 -5.537 1.00 0.00 C ATOM 0 H LEU A 32 -8.220 -5.564 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.428 -7.033 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.728 -5.088 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.512 -6.114 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.244 -7.971 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.448 -7.178 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.446 -6.949 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.606 -5.560 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.961 -6.969 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.157 -5.355 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.190 -6.594 -4.913 1.00 0.00 H new ATOM 288 N LEU A 33 -8.500 -9.188 -2.652 1.00 0.00 N ATOM 289 CA LEU A 33 -8.066 -10.554 -2.258 1.00 0.00 C ATOM 290 C LEU A 33 -7.139 -11.059 -3.372 1.00 0.00 C ATOM 291 O LEU A 33 -7.518 -11.089 -4.526 1.00 0.00 O ATOM 292 CB LEU A 33 -9.309 -11.458 -2.164 1.00 0.00 C ATOM 293 CG LEU A 33 -10.575 -10.611 -1.939 1.00 0.00 C ATOM 294 CD1 LEU A 33 -11.798 -11.527 -2.046 1.00 0.00 C ATOM 295 CD2 LEU A 33 -10.549 -9.994 -0.540 1.00 0.00 C ATOM 0 H LEU A 33 -9.207 -9.164 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.554 -10.557 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.412 -12.041 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.189 -12.168 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.618 -9.817 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.705 -10.943 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.826 -11.982 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.734 -12.309 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.448 -9.396 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.511 -10.787 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.670 -9.358 -0.439 1.00 0.00 H new ATOM 307 N VAL A 34 -5.944 -11.439 -3.006 1.00 0.00 N ATOM 308 CA VAL A 34 -4.975 -11.918 -4.037 1.00 0.00 C ATOM 309 C VAL A 34 -4.315 -13.252 -3.665 1.00 0.00 C ATOM 310 O VAL A 34 -4.466 -13.755 -2.570 1.00 0.00 O ATOM 311 CB VAL A 34 -3.883 -10.851 -4.213 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.959 -10.298 -5.636 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.115 -9.699 -3.227 1.00 0.00 C ATOM 0 H VAL A 34 -5.598 -11.439 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.530 -12.082 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.907 -11.299 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.188 -9.539 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.803 -11.107 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.940 -9.853 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.337 -8.946 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.090 -9.250 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.083 -10.081 -2.207 1.00 0.00 H new ATOM 323 N HIS A 35 -3.573 -13.792 -4.595 1.00 0.00 N ATOM 324 CA HIS A 35 -2.892 -15.094 -4.334 1.00 0.00 C ATOM 325 C HIS A 35 -1.433 -15.079 -4.808 1.00 0.00 C ATOM 326 O HIS A 35 -1.049 -14.278 -5.636 1.00 0.00 O ATOM 327 CB HIS A 35 -3.659 -16.187 -5.077 1.00 0.00 C ATOM 328 CG HIS A 35 -4.023 -15.676 -6.470 1.00 0.00 C ATOM 329 ND1 HIS A 35 -3.181 -15.431 -7.420 1.00 0.00 N ATOM 330 CD2 HIS A 35 -5.255 -15.359 -7.015 1.00 0.00 C ATOM 331 CE1 HIS A 35 -3.816 -15.001 -8.464 1.00 0.00 C ATOM 332 NE2 HIS A 35 -5.109 -14.941 -8.256 1.00 0.00 N ATOM 0 H HIS A 35 -3.409 -13.391 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.884 -15.279 -3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.051 -17.089 -5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.561 -16.456 -4.526 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.199 -15.442 -6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.338 -14.725 -9.393 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.835 -14.640 -8.906 1.00 0.00 H new ATOM 340 N PRO A 36 -0.665 -15.991 -4.266 1.00 0.00 N ATOM 341 CA PRO A 36 0.754 -16.180 -4.646 1.00 0.00 C ATOM 342 C PRO A 36 0.949 -16.188 -6.164 1.00 0.00 C ATOM 343 O PRO A 36 0.607 -17.141 -6.836 1.00 0.00 O ATOM 344 CB PRO A 36 1.151 -17.524 -4.023 1.00 0.00 C ATOM 345 CG PRO A 36 0.031 -17.906 -3.012 1.00 0.00 C ATOM 346 CD PRO A 36 -1.150 -16.942 -3.238 1.00 0.00 C ATOM 0 HA PRO A 36 1.376 -15.360 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.254 -18.290 -4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.115 -17.446 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.284 -18.939 -3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.397 -17.830 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.037 -17.475 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.422 -16.426 -2.317 1.00 0.00 H new ATOM 354 N GLY A 37 1.494 -15.113 -6.668 1.00 0.00 N ATOM 355 CA GLY A 37 1.731 -15.012 -8.134 1.00 0.00 C ATOM 356 C GLY A 37 0.812 -13.950 -8.739 1.00 0.00 C ATOM 357 O GLY A 37 0.320 -14.112 -9.838 1.00 0.00 O ATOM 0 H GLY A 37 1.785 -14.300 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.773 -14.755 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.548 -15.976 -8.608 1.00 0.00 H new ATOM 361 N ASP A 38 0.592 -12.884 -8.012 1.00 0.00 N ATOM 362 CA ASP A 38 -0.303 -11.824 -8.559 1.00 0.00 C ATOM 363 C ASP A 38 0.214 -10.394 -8.343 1.00 0.00 C ATOM 364 O ASP A 38 1.151 -10.138 -7.606 1.00 0.00 O ATOM 365 CB ASP A 38 -1.677 -11.963 -7.896 1.00 0.00 C ATOM 366 CG ASP A 38 -2.728 -11.314 -8.801 1.00 0.00 C ATOM 367 OD1 ASP A 38 -3.063 -11.957 -9.782 1.00 0.00 O ATOM 368 OD2 ASP A 38 -3.129 -10.212 -8.465 1.00 0.00 O ATOM 0 H ASP A 38 0.983 -12.705 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.349 -11.973 -9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.914 -13.015 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.674 -11.484 -6.917 1.00 0.00 H new ATOM 373 N LEU A 39 -0.458 -9.500 -9.018 1.00 0.00 N ATOM 374 CA LEU A 39 -0.116 -8.055 -8.942 1.00 0.00 C ATOM 375 C LEU A 39 -1.232 -7.322 -8.193 1.00 0.00 C ATOM 376 O LEU A 39 -2.386 -7.372 -8.571 1.00 0.00 O ATOM 377 CB LEU A 39 0.000 -7.507 -10.372 1.00 0.00 C ATOM 378 CG LEU A 39 0.557 -8.600 -11.297 1.00 0.00 C ATOM 379 CD1 LEU A 39 0.615 -8.050 -12.725 1.00 0.00 C ATOM 380 CD2 LEU A 39 1.979 -8.966 -10.858 1.00 0.00 C ATOM 0 H LEU A 39 -1.244 -9.718 -9.630 1.00 0.00 H new ATOM 0 HA LEU A 39 0.827 -7.910 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.977 -7.178 -10.727 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.654 -6.635 -10.387 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.082 -9.482 -11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.009 -8.815 -13.394 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.387 -7.767 -13.047 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.265 -7.175 -12.752 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.374 -9.741 -11.514 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.616 -8.083 -10.915 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.960 -9.334 -9.832 1.00 0.00 H new ATOM 392 N LEU A 40 -0.842 -6.660 -7.141 1.00 0.00 N ATOM 393 CA LEU A 40 -1.829 -5.909 -6.308 1.00 0.00 C ATOM 394 C LEU A 40 -1.381 -4.451 -6.144 1.00 0.00 C ATOM 395 O LEU A 40 -0.234 -4.181 -5.853 1.00 0.00 O ATOM 396 CB LEU A 40 -1.911 -6.625 -4.947 1.00 0.00 C ATOM 397 CG LEU A 40 -2.007 -5.616 -3.793 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.373 -4.925 -3.827 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.890 -6.390 -2.478 1.00 0.00 C ATOM 0 H LEU A 40 0.124 -6.605 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.811 -5.890 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.780 -7.283 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.032 -7.255 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.217 -4.870 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.439 -4.209 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.493 -4.402 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.161 -5.671 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.955 -5.696 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.699 -7.117 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.932 -6.909 -2.445 1.00 0.00 H new ATOM 411 N GLN A 41 -2.288 -3.532 -6.336 1.00 0.00 N ATOM 412 CA GLN A 41 -1.902 -2.096 -6.193 1.00 0.00 C ATOM 413 C GLN A 41 -2.896 -1.281 -5.356 1.00 0.00 C ATOM 414 O GLN A 41 -4.083 -1.538 -5.341 1.00 0.00 O ATOM 415 CB GLN A 41 -1.783 -1.472 -7.594 1.00 0.00 C ATOM 416 CG GLN A 41 -2.707 -2.205 -8.578 1.00 0.00 C ATOM 417 CD GLN A 41 -4.152 -2.125 -8.079 1.00 0.00 C ATOM 418 OE1 GLN A 41 -4.782 -3.234 -7.804 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -4.717 -1.059 -7.935 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.263 -3.706 -6.581 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.950 -2.068 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.047 -0.415 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.751 -1.530 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.628 -1.758 -9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.401 -3.247 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.228 -0.190 -8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.680 -1.033 -7.600 1.00 0.00 H new ATOM 428 N LEU A 42 -2.351 -0.313 -4.667 1.00 0.00 N ATOM 429 CA LEU A 42 -3.170 0.591 -3.812 1.00 0.00 C ATOM 430 C LEU A 42 -2.791 2.021 -4.190 1.00 0.00 C ATOM 431 O LEU A 42 -1.636 2.382 -4.092 1.00 0.00 O ATOM 432 CB LEU A 42 -2.830 0.354 -2.326 1.00 0.00 C ATOM 433 CG LEU A 42 -1.547 -0.486 -2.194 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.896 -0.197 -0.833 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.917 -1.971 -2.243 1.00 0.00 C ATOM 0 H LEU A 42 -1.352 -0.108 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.234 0.407 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.699 1.310 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.658 -0.156 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.861 -0.237 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.014 -0.789 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.649 0.863 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.590 -0.460 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.014 -2.574 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.595 -2.204 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.406 -2.193 -3.192 1.00 0.00 H new ATOM 447 N ARG A 43 -3.754 2.789 -4.622 1.00 0.00 N ATOM 448 CA ARG A 43 -3.453 4.194 -5.023 1.00 0.00 C ATOM 449 C ARG A 43 -4.013 5.183 -4.020 1.00 0.00 C ATOM 450 O ARG A 43 -5.193 5.197 -3.731 1.00 0.00 O ATOM 451 CB ARG A 43 -4.083 4.458 -6.395 1.00 0.00 C ATOM 452 CG ARG A 43 -3.742 5.890 -6.834 1.00 0.00 C ATOM 453 CD ARG A 43 -2.515 5.846 -7.746 1.00 0.00 C ATOM 454 NE ARG A 43 -2.974 6.002 -9.156 1.00 0.00 N ATOM 455 CZ ARG A 43 -2.263 6.719 -9.982 1.00 0.00 C ATOM 456 NH1 ARG A 43 -2.759 7.832 -10.449 1.00 0.00 N ATOM 457 NH2 ARG A 43 -1.076 6.291 -10.313 1.00 0.00 N ATOM 0 H ARG A 43 -4.730 2.507 -4.714 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.371 4.323 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.709 3.741 -7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.164 4.327 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.587 6.335 -7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.543 6.515 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.818 6.642 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.983 4.903 -7.622 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.834 5.553 -9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.692 8.132 -10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.213 8.402 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.724 5.415 -9.928 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.500 6.833 -10.957 1.00 0.00 H new ATOM 471 N CYS A 44 -3.128 6.000 -3.522 1.00 0.00 N ATOM 472 CA CYS A 44 -3.557 7.026 -2.535 1.00 0.00 C ATOM 473 C CYS A 44 -3.763 8.376 -3.226 1.00 0.00 C ATOM 474 O CYS A 44 -3.840 8.464 -4.435 1.00 0.00 O ATOM 475 CB CYS A 44 -2.467 7.164 -1.476 1.00 0.00 C ATOM 476 SG CYS A 44 -2.959 7.833 0.129 1.00 0.00 S ATOM 0 H CYS A 44 -2.135 6.002 -3.754 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.498 6.720 -2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.028 6.180 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.680 7.801 -1.881 1.00 0.00 H new ATOM 481 N ARG A 45 -3.830 9.396 -2.418 1.00 0.00 N ATOM 482 CA ARG A 45 -4.037 10.776 -2.953 1.00 0.00 C ATOM 483 C ARG A 45 -2.683 11.448 -3.166 1.00 0.00 C ATOM 484 O ARG A 45 -1.816 11.371 -2.318 1.00 0.00 O ATOM 485 CB ARG A 45 -4.829 11.599 -1.932 1.00 0.00 C ATOM 486 CG ARG A 45 -6.186 10.940 -1.691 1.00 0.00 C ATOM 487 CD ARG A 45 -6.872 11.649 -0.518 1.00 0.00 C ATOM 488 NE ARG A 45 -6.079 11.387 0.721 1.00 0.00 N ATOM 489 CZ ARG A 45 -6.536 10.591 1.649 1.00 0.00 C ATOM 490 NH1 ARG A 45 -7.678 9.982 1.486 1.00 0.00 N ATOM 491 NH2 ARG A 45 -5.812 10.437 2.723 1.00 0.00 N ATOM 0 H ARG A 45 -3.750 9.336 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.579 10.718 -3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.275 11.668 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.966 12.617 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.803 11.007 -2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.058 9.880 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.936 12.720 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.892 11.285 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.171 11.835 0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.216 10.127 0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.033 9.360 2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.924 10.930 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.134 9.823 3.472 1.00 0.00 H new ATOM 505 N LEU A 46 -2.525 12.098 -4.287 1.00 0.00 N ATOM 506 CA LEU A 46 -1.217 12.765 -4.549 1.00 0.00 C ATOM 507 C LEU A 46 -1.463 14.253 -4.798 1.00 0.00 C ATOM 508 O LEU A 46 -2.104 14.621 -5.760 1.00 0.00 O ATOM 509 CB LEU A 46 -0.574 12.132 -5.792 1.00 0.00 C ATOM 510 CG LEU A 46 -1.260 10.797 -6.132 1.00 0.00 C ATOM 511 CD1 LEU A 46 -0.704 10.282 -7.462 1.00 0.00 C ATOM 512 CD2 LEU A 46 -0.954 9.766 -5.040 1.00 0.00 C ATOM 0 H LEU A 46 -3.228 12.196 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.552 12.643 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.654 12.815 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.489 11.967 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.337 10.948 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.182 9.336 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.905 11.011 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.372 10.132 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.441 8.822 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.123 9.612 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.326 10.129 -4.082 1.00 0.00 H new ATOM 524 N ARG A 47 -0.960 15.099 -3.943 1.00 0.00 N ATOM 525 CA ARG A 47 -1.217 16.548 -4.172 1.00 0.00 C ATOM 526 C ARG A 47 -0.093 17.399 -3.592 1.00 0.00 C ATOM 527 O ARG A 47 0.530 17.026 -2.619 1.00 0.00 O ATOM 528 CB ARG A 47 -2.523 16.944 -3.469 1.00 0.00 C ATOM 529 CG ARG A 47 -3.697 16.153 -4.054 1.00 0.00 C ATOM 530 CD ARG A 47 -4.955 16.484 -3.245 1.00 0.00 C ATOM 531 NE ARG A 47 -6.145 16.023 -4.017 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.178 16.813 -4.141 1.00 0.00 C ATOM 533 NH1 ARG A 47 -6.983 18.089 -4.329 1.00 0.00 N ATOM 534 NH2 ARG A 47 -8.374 16.297 -4.074 1.00 0.00 N ATOM 0 H ARG A 47 -0.401 14.863 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.281 16.718 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.442 16.752 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.699 18.013 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.842 16.410 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.491 15.083 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.920 15.993 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.015 17.556 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.152 15.097 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.033 18.458 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.780 18.718 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.489 15.294 -3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.194 16.896 -4.168 1.00 0.00 H new ATOM 548 N ASP A 48 0.162 18.504 -4.238 1.00 0.00 N ATOM 549 CA ASP A 48 1.204 19.431 -3.714 1.00 0.00 C ATOM 550 C ASP A 48 1.029 19.593 -2.196 1.00 0.00 C ATOM 551 O ASP A 48 1.903 20.089 -1.513 1.00 0.00 O ATOM 552 CB ASP A 48 1.039 20.792 -4.401 1.00 0.00 C ATOM 553 CG ASP A 48 2.193 21.721 -4.002 1.00 0.00 C ATOM 554 OD1 ASP A 48 3.234 21.188 -3.655 1.00 0.00 O ATOM 555 OD2 ASP A 48 1.965 22.917 -4.081 1.00 0.00 O ATOM 0 H ASP A 48 -0.301 18.803 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 48 2.197 19.031 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.022 20.663 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.086 21.239 -4.118 1.00 0.00 H new ATOM 560 N ASP A 49 -0.103 19.157 -1.707 1.00 0.00 N ATOM 561 CA ASP A 49 -0.374 19.254 -0.247 1.00 0.00 C ATOM 562 C ASP A 49 0.228 18.011 0.402 1.00 0.00 C ATOM 563 O ASP A 49 1.230 18.100 1.082 1.00 0.00 O ATOM 564 CB ASP A 49 -1.889 19.278 -0.022 1.00 0.00 C ATOM 565 CG ASP A 49 -2.495 20.432 -0.823 1.00 0.00 C ATOM 566 OD1 ASP A 49 -2.180 21.557 -0.472 1.00 0.00 O ATOM 567 OD2 ASP A 49 -3.235 20.121 -1.741 1.00 0.00 O ATOM 0 H ASP A 49 -0.851 18.738 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 49 0.058 20.159 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.331 18.331 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.110 19.399 1.038 1.00 0.00 H new ATOM 572 N VAL A 50 -0.363 16.880 0.121 1.00 0.00 N ATOM 573 CA VAL A 50 0.161 15.614 0.695 1.00 0.00 C ATOM 574 C VAL A 50 1.358 15.182 -0.150 1.00 0.00 C ATOM 575 O VAL A 50 1.224 14.904 -1.326 1.00 0.00 O ATOM 576 CB VAL A 50 -0.945 14.556 0.646 1.00 0.00 C ATOM 577 CG1 VAL A 50 -2.052 14.959 1.626 1.00 0.00 C ATOM 578 CG2 VAL A 50 -1.547 14.483 -0.764 1.00 0.00 C ATOM 0 H VAL A 50 -1.182 16.782 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 50 0.472 15.744 1.732 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.525 13.586 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.848 14.214 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.641 15.019 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.455 15.930 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.332 13.727 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.969 15.452 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.768 14.218 -1.479 1.00 0.00 H new ATOM 588 N GLN A 51 2.489 15.127 0.496 1.00 0.00 N ATOM 589 CA GLN A 51 3.747 14.753 -0.209 1.00 0.00 C ATOM 590 C GLN A 51 4.356 13.525 0.455 1.00 0.00 C ATOM 591 O GLN A 51 5.101 12.787 -0.159 1.00 0.00 O ATOM 592 CB GLN A 51 4.742 15.911 -0.094 1.00 0.00 C ATOM 593 CG GLN A 51 4.018 17.228 -0.374 1.00 0.00 C ATOM 594 CD GLN A 51 4.689 18.338 0.438 1.00 0.00 C ATOM 595 OE1 GLN A 51 3.966 18.964 1.325 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 5.855 18.636 0.279 1.00 0.00 N flip ATOM 0 H GLN A 51 2.597 15.327 1.490 1.00 0.00 H new ATOM 0 HA GLN A 51 3.529 14.539 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.183 15.930 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.560 15.775 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.057 17.462 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.965 17.146 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.417 18.144 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.273 19.378 0.840 1.00 0.00 H new ATOM 605 N SER A 52 4.017 13.330 1.701 1.00 0.00 N ATOM 606 CA SER A 52 4.572 12.162 2.427 1.00 0.00 C ATOM 607 C SER A 52 3.473 11.114 2.504 1.00 0.00 C ATOM 608 O SER A 52 2.680 11.113 3.424 1.00 0.00 O ATOM 609 CB SER A 52 4.979 12.605 3.834 1.00 0.00 C ATOM 610 OG SER A 52 5.954 13.610 3.597 1.00 0.00 O ATOM 0 H SER A 52 3.386 13.924 2.239 1.00 0.00 H new ATOM 0 HA SER A 52 5.447 11.754 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.129 12.995 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.389 11.777 4.413 1.00 0.00 H new ATOM 0 HG SER A 52 6.277 13.960 4.453 1.00 0.00 H new ATOM 616 N ILE A 53 3.432 10.291 1.491 1.00 0.00 N ATOM 617 CA ILE A 53 2.406 9.222 1.461 1.00 0.00 C ATOM 618 C ILE A 53 3.032 7.953 2.024 1.00 0.00 C ATOM 619 O ILE A 53 3.891 7.335 1.425 1.00 0.00 O ATOM 620 CB ILE A 53 1.968 8.991 0.022 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.634 10.342 -0.638 1.00 0.00 C ATOM 622 CG2 ILE A 53 0.719 8.102 0.015 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.664 11.132 0.244 1.00 0.00 C ATOM 0 H ILE A 53 4.063 10.316 0.690 1.00 0.00 H new ATOM 0 HA ILE A 53 1.536 9.503 2.054 1.00 0.00 H new ATOM 0 HB ILE A 53 2.772 8.506 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.548 10.916 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.192 10.176 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.399 7.932 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.950 7.146 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.081 8.595 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.434 12.086 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.255 10.561 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.121 11.313 1.217 1.00 0.00 H new ATOM 635 N ASN A 54 2.559 7.614 3.186 1.00 0.00 N ATOM 636 CA ASN A 54 3.066 6.407 3.892 1.00 0.00 C ATOM 637 C ASN A 54 2.042 5.295 3.732 1.00 0.00 C ATOM 638 O ASN A 54 0.861 5.538 3.864 1.00 0.00 O ATOM 639 CB ASN A 54 3.179 6.717 5.380 1.00 0.00 C ATOM 640 CG ASN A 54 3.055 8.218 5.599 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.123 8.628 6.409 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 3.773 9.018 5.031 1.00 0.00 N flip ATOM 0 H ASN A 54 1.833 8.128 3.685 1.00 0.00 H new ATOM 0 HA ASN A 54 4.034 6.115 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.398 6.193 5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.135 6.361 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.502 8.689 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.647 10.018 5.188 1.00 0.00 H new ATOM 649 N TRP A 55 2.488 4.099 3.481 1.00 0.00 N ATOM 650 CA TRP A 55 1.497 3.007 3.340 1.00 0.00 C ATOM 651 C TRP A 55 1.596 2.157 4.602 1.00 0.00 C ATOM 652 O TRP A 55 2.534 1.406 4.770 1.00 0.00 O ATOM 653 CB TRP A 55 1.850 2.216 2.091 1.00 0.00 C ATOM 654 CG TRP A 55 1.632 3.139 0.889 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.574 3.919 0.287 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.465 3.278 0.232 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.905 4.471 -0.709 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.626 4.151 -0.822 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.757 2.682 0.462 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.439 4.428 -1.653 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.824 2.958 -0.372 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.663 3.831 -1.432 1.00 0.00 C ATOM 0 H TRP A 55 3.467 3.836 3.370 1.00 0.00 H new ATOM 0 HA TRP A 55 0.474 3.368 3.233 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.885 1.876 2.131 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.225 1.326 2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.611 4.053 0.558 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.354 5.114 -1.361 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.880 2.001 1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.315 5.113 -2.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.782 2.492 -0.196 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.495 4.045 -2.087 1.00 0.00 H new ATOM 673 N LEU A 56 0.602 2.244 5.441 1.00 0.00 N ATOM 674 CA LEU A 56 0.677 1.471 6.703 1.00 0.00 C ATOM 675 C LEU A 56 0.318 0.025 6.364 1.00 0.00 C ATOM 676 O LEU A 56 -0.826 -0.273 6.085 1.00 0.00 O ATOM 677 CB LEU A 56 -0.380 1.970 7.710 1.00 0.00 C ATOM 678 CG LEU A 56 -0.386 3.499 7.846 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.815 3.923 8.197 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.518 3.916 9.008 1.00 0.00 C ATOM 0 H LEU A 56 -0.240 2.805 5.310 1.00 0.00 H new ATOM 0 HA LEU A 56 1.673 1.575 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.367 1.633 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.188 1.522 8.685 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.038 3.958 6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.857 5.007 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.493 3.608 7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.113 3.456 9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.512 5.002 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.152 3.469 9.932 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.535 3.574 8.818 1.00 0.00 H new ATOM 692 N ARG A 57 1.294 -0.837 6.432 1.00 0.00 N ATOM 693 CA ARG A 57 1.035 -2.265 6.099 1.00 0.00 C ATOM 694 C ARG A 57 0.388 -2.894 7.318 1.00 0.00 C ATOM 695 O ARG A 57 0.727 -2.546 8.429 1.00 0.00 O ATOM 696 CB ARG A 57 2.362 -2.973 5.814 1.00 0.00 C ATOM 697 CG ARG A 57 2.099 -4.482 5.712 1.00 0.00 C ATOM 698 CD ARG A 57 3.374 -5.188 5.238 1.00 0.00 C ATOM 699 NE ARG A 57 4.258 -5.407 6.420 1.00 0.00 N ATOM 700 CZ ARG A 57 5.523 -5.092 6.354 1.00 0.00 C ATOM 701 NH1 ARG A 57 6.108 -5.051 5.188 1.00 0.00 N ATOM 702 NH2 ARG A 57 6.163 -4.832 7.461 1.00 0.00 N ATOM 0 H ARG A 57 2.253 -0.617 6.702 1.00 0.00 H new ATOM 0 HA ARG A 57 0.394 -2.350 5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.798 -2.601 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.079 -2.767 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.791 -4.875 6.681 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.283 -4.674 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.128 -6.140 4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.886 -4.584 4.488 1.00 0.00 H new ATOM 0 HE ARG A 57 3.874 -5.802 7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.577 -5.264 4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.096 -4.806 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.674 -4.877 8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.152 -4.584 7.432 1.00 0.00 H new ATOM 716 N ASP A 58 -0.572 -3.743 7.079 1.00 0.00 N ATOM 717 CA ASP A 58 -1.268 -4.414 8.211 1.00 0.00 C ATOM 718 C ASP A 58 -1.978 -3.347 9.042 1.00 0.00 C ATOM 719 O ASP A 58 -3.183 -3.210 8.956 1.00 0.00 O ATOM 720 CB ASP A 58 -0.238 -5.159 9.071 1.00 0.00 C ATOM 721 CG ASP A 58 -0.971 -5.908 10.187 1.00 0.00 C ATOM 722 OD1 ASP A 58 -1.706 -6.816 9.835 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.754 -5.526 11.325 1.00 0.00 O ATOM 0 H ASP A 58 -0.904 -4.001 6.150 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.998 -5.133 7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.330 -5.859 8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.477 -4.455 9.496 1.00 0.00 H new ATOM 728 N GLY A 59 -1.209 -2.631 9.822 1.00 0.00 N ATOM 729 CA GLY A 59 -1.780 -1.540 10.661 1.00 0.00 C ATOM 730 C GLY A 59 -0.697 -0.529 11.080 1.00 0.00 C ATOM 731 O GLY A 59 -0.918 0.273 11.967 1.00 0.00 O ATOM 0 H GLY A 59 -0.201 -2.759 9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.565 -1.026 10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.244 -1.967 11.550 1.00 0.00 H new ATOM 735 N VAL A 60 0.448 -0.580 10.445 1.00 0.00 N ATOM 736 CA VAL A 60 1.538 0.375 10.815 1.00 0.00 C ATOM 737 C VAL A 60 2.358 0.844 9.599 1.00 0.00 C ATOM 738 O VAL A 60 2.563 0.108 8.655 1.00 0.00 O ATOM 739 CB VAL A 60 2.465 -0.324 11.821 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.092 -1.557 11.159 1.00 0.00 C ATOM 741 CG2 VAL A 60 3.582 0.640 12.234 1.00 0.00 C ATOM 0 H VAL A 60 0.674 -1.233 9.695 1.00 0.00 H new ATOM 0 HA VAL A 60 1.079 1.265 11.246 1.00 0.00 H new ATOM 0 HB VAL A 60 1.891 -0.625 12.698 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.751 -2.056 11.870 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.304 -2.244 10.850 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.667 -1.248 10.286 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.242 0.148 12.948 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.154 0.933 11.353 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.146 1.526 12.695 1.00 0.00 H new ATOM 751 N GLN A 61 2.815 2.068 9.677 1.00 0.00 N ATOM 752 CA GLN A 61 3.633 2.671 8.576 1.00 0.00 C ATOM 753 C GLN A 61 4.444 1.631 7.810 1.00 0.00 C ATOM 754 O GLN A 61 5.123 0.811 8.395 1.00 0.00 O ATOM 755 CB GLN A 61 4.581 3.700 9.199 1.00 0.00 C ATOM 756 CG GLN A 61 5.358 4.415 8.089 1.00 0.00 C ATOM 757 CD GLN A 61 6.614 3.605 7.762 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.727 3.067 6.579 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.501 3.453 8.579 1.00 0.00 N flip ATOM 0 H GLN A 61 2.654 2.688 10.471 1.00 0.00 H new ATOM 0 HA GLN A 61 2.955 3.134 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.015 4.424 9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.272 3.207 9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.735 4.520 7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.631 5.421 8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.418 3.871 9.506 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.328 2.907 8.338 1.00 0.00 H new ATOM 768 N LEU A 62 4.361 1.702 6.507 1.00 0.00 N ATOM 769 CA LEU A 62 5.121 0.724 5.681 1.00 0.00 C ATOM 770 C LEU A 62 5.335 1.189 4.233 1.00 0.00 C ATOM 771 O LEU A 62 4.556 1.917 3.647 1.00 0.00 O ATOM 772 CB LEU A 62 4.355 -0.601 5.665 1.00 0.00 C ATOM 773 CG LEU A 62 5.307 -1.789 5.924 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.500 -1.738 4.971 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.827 -1.716 7.363 1.00 0.00 C ATOM 0 H LEU A 62 3.809 2.384 5.988 1.00 0.00 H new ATOM 0 HA LEU A 62 6.108 0.618 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.573 -0.583 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.861 -0.729 4.702 1.00 0.00 H new ATOM 0 HG LEU A 62 4.757 -2.716 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.160 -2.583 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.146 -1.787 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.047 -0.807 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.500 -2.553 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.365 -0.779 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.987 -1.764 8.056 1.00 0.00 H new ATOM 787 N VAL A 63 6.503 0.832 3.787 1.00 0.00 N ATOM 788 CA VAL A 63 6.959 1.101 2.392 1.00 0.00 C ATOM 789 C VAL A 63 8.150 0.171 2.108 1.00 0.00 C ATOM 790 O VAL A 63 9.208 0.345 2.680 1.00 0.00 O ATOM 791 CB VAL A 63 7.327 2.590 2.276 1.00 0.00 C ATOM 792 CG1 VAL A 63 8.049 3.042 3.549 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.257 2.818 1.082 1.00 0.00 C ATOM 0 H VAL A 63 7.193 0.342 4.357 1.00 0.00 H new ATOM 0 HA VAL A 63 6.183 0.901 1.653 1.00 0.00 H new ATOM 0 HB VAL A 63 6.410 3.162 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.309 4.097 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.395 2.897 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.957 2.454 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.508 3.876 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.169 2.236 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.757 2.504 0.166 1.00 0.00 H new ATOM 843 N ARG A 67 9.880 -6.836 -3.623 1.00 0.00 N ATOM 844 CA ARG A 67 8.855 -7.286 -4.612 1.00 0.00 C ATOM 845 C ARG A 67 7.783 -6.220 -4.860 1.00 0.00 C ATOM 846 O ARG A 67 6.831 -6.441 -5.586 1.00 0.00 O ATOM 847 CB ARG A 67 8.199 -8.558 -4.075 1.00 0.00 C ATOM 848 CG ARG A 67 9.274 -9.646 -3.971 1.00 0.00 C ATOM 849 CD ARG A 67 8.677 -10.866 -3.271 1.00 0.00 C ATOM 850 NE ARG A 67 9.739 -11.904 -3.151 1.00 0.00 N ATOM 851 CZ ARG A 67 10.014 -12.405 -1.979 1.00 0.00 C ATOM 852 NH1 ARG A 67 9.486 -13.552 -1.646 1.00 0.00 N ATOM 853 NH2 ARG A 67 10.806 -11.746 -1.178 1.00 0.00 N ATOM 0 HA ARG A 67 9.351 -7.471 -5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.752 -8.372 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.396 -8.880 -4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.632 -9.919 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.134 -9.274 -3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.301 -10.592 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.831 -11.253 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 67 10.246 -12.220 -3.978 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.871 -14.039 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.689 -13.961 -0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.200 -10.852 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.031 -12.125 -0.258 1.00 0.00 H new ATOM 867 N THR A 68 7.934 -5.084 -4.238 1.00 0.00 N ATOM 868 CA THR A 68 6.923 -4.024 -4.468 1.00 0.00 C ATOM 869 C THR A 68 7.574 -2.676 -4.768 1.00 0.00 C ATOM 870 O THR A 68 8.652 -2.359 -4.307 1.00 0.00 O ATOM 871 CB THR A 68 6.048 -3.903 -3.219 1.00 0.00 C ATOM 872 OG1 THR A 68 5.180 -2.816 -3.503 1.00 0.00 O ATOM 873 CG2 THR A 68 6.869 -3.426 -2.022 1.00 0.00 C ATOM 0 H THR A 68 8.693 -4.850 -3.598 1.00 0.00 H new ATOM 0 HA THR A 68 6.323 -4.300 -5.335 1.00 0.00 H new ATOM 0 HB THR A 68 5.572 -4.858 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.916 -2.846 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.224 -3.348 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.668 -4.139 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.301 -2.450 -2.243 1.00 0.00 H new ATOM 881 N ARG A 69 6.859 -1.929 -5.556 1.00 0.00 N ATOM 882 CA ARG A 69 7.294 -0.563 -5.939 1.00 0.00 C ATOM 883 C ARG A 69 6.440 0.359 -5.078 1.00 0.00 C ATOM 884 O ARG A 69 5.325 0.681 -5.436 1.00 0.00 O ATOM 885 CB ARG A 69 6.970 -0.311 -7.423 1.00 0.00 C ATOM 886 CG ARG A 69 8.107 -0.840 -8.302 1.00 0.00 C ATOM 887 CD ARG A 69 7.885 -2.332 -8.566 1.00 0.00 C ATOM 888 NE ARG A 69 9.215 -2.962 -8.799 1.00 0.00 N ATOM 889 CZ ARG A 69 9.848 -3.465 -7.775 1.00 0.00 C ATOM 890 NH1 ARG A 69 10.067 -4.748 -7.722 1.00 0.00 N ATOM 891 NH2 ARG A 69 10.219 -2.657 -6.821 1.00 0.00 N ATOM 0 H ARG A 69 5.968 -2.217 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 69 8.364 -0.410 -5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.034 -0.803 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.830 0.756 -7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.140 -0.292 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.067 -0.684 -7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.386 -2.799 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.239 -2.474 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 69 9.620 -2.999 -9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.744 -5.352 -8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.561 -5.148 -6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.013 -1.660 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.716 -3.022 -6.008 1.00 0.00 H new ATOM 905 N ILE A 70 6.923 0.670 -3.908 1.00 0.00 N ATOM 906 CA ILE A 70 6.123 1.573 -3.039 1.00 0.00 C ATOM 907 C ILE A 70 6.446 3.017 -3.390 1.00 0.00 C ATOM 908 O ILE A 70 7.425 3.564 -2.925 1.00 0.00 O ATOM 909 CB ILE A 70 6.489 1.359 -1.576 1.00 0.00 C ATOM 910 CG1 ILE A 70 7.937 0.838 -1.436 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.567 0.310 -0.952 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.942 1.792 -2.094 1.00 0.00 C ATOM 0 H ILE A 70 7.812 0.348 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 70 5.066 1.358 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 70 6.387 2.320 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.182 0.720 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.016 -0.148 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.837 0.164 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.533 0.650 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.673 -0.633 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.950 1.395 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.711 1.889 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.880 2.771 -1.618 1.00 0.00 H new ATOM 924 N THR A 71 5.622 3.641 -4.180 1.00 0.00 N ATOM 925 CA THR A 71 5.969 5.038 -4.510 1.00 0.00 C ATOM 926 C THR A 71 5.173 5.971 -3.595 1.00 0.00 C ATOM 927 O THR A 71 4.077 5.653 -3.174 1.00 0.00 O ATOM 928 CB THR A 71 5.629 5.328 -5.965 1.00 0.00 C ATOM 929 OG1 THR A 71 4.230 5.527 -5.918 1.00 0.00 O ATOM 930 CG2 THR A 71 5.811 4.082 -6.837 1.00 0.00 C ATOM 0 H THR A 71 4.767 3.266 -4.591 1.00 0.00 H new ATOM 0 HA THR A 71 7.037 5.197 -4.363 1.00 0.00 H new ATOM 0 HB THR A 71 6.238 6.141 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.787 4.684 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.560 4.321 -7.870 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.847 3.748 -6.783 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.155 3.288 -6.479 1.00 0.00 H new ATOM 938 N GLY A 72 5.769 7.092 -3.299 1.00 0.00 N ATOM 939 CA GLY A 72 5.106 8.096 -2.420 1.00 0.00 C ATOM 940 C GLY A 72 3.693 8.469 -2.883 1.00 0.00 C ATOM 941 O GLY A 72 3.146 9.455 -2.433 1.00 0.00 O ATOM 0 H GLY A 72 6.696 7.358 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.056 7.703 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.718 8.997 -2.383 1.00 0.00 H new ATOM 945 N GLU A 73 3.142 7.728 -3.807 1.00 0.00 N ATOM 946 CA GLU A 73 1.758 8.036 -4.261 1.00 0.00 C ATOM 947 C GLU A 73 0.951 6.747 -4.458 1.00 0.00 C ATOM 948 O GLU A 73 -0.248 6.707 -4.260 1.00 0.00 O ATOM 949 CB GLU A 73 1.844 8.796 -5.588 1.00 0.00 C ATOM 950 CG GLU A 73 2.980 8.218 -6.440 1.00 0.00 C ATOM 951 CD GLU A 73 3.156 9.097 -7.681 1.00 0.00 C ATOM 952 OE1 GLU A 73 3.268 10.295 -7.477 1.00 0.00 O ATOM 953 OE2 GLU A 73 3.166 8.521 -8.757 1.00 0.00 O ATOM 0 H GLU A 73 3.586 6.931 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 73 1.255 8.640 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.898 8.719 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.019 9.855 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.905 8.186 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.750 7.193 -6.732 1.00 0.00 H new ATOM 960 N GLU A 74 1.630 5.691 -4.808 1.00 0.00 N ATOM 961 CA GLU A 74 0.894 4.426 -5.053 1.00 0.00 C ATOM 962 C GLU A 74 1.798 3.268 -4.686 1.00 0.00 C ATOM 963 O GLU A 74 2.991 3.324 -4.890 1.00 0.00 O ATOM 964 CB GLU A 74 0.541 4.346 -6.542 1.00 0.00 C ATOM 965 CG GLU A 74 -0.008 2.945 -6.857 1.00 0.00 C ATOM 966 CD GLU A 74 -0.111 2.763 -8.376 1.00 0.00 C ATOM 967 OE1 GLU A 74 -0.271 3.775 -9.038 1.00 0.00 O ATOM 968 OE2 GLU A 74 -0.037 1.615 -8.785 1.00 0.00 O ATOM 0 H GLU A 74 2.642 5.650 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.018 4.388 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.200 5.105 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.424 4.549 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.646 2.183 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.988 2.816 -6.398 1.00 0.00 H new ATOM 975 N VAL A 75 1.205 2.242 -4.166 1.00 0.00 N ATOM 976 CA VAL A 75 2.026 1.069 -3.786 1.00 0.00 C ATOM 977 C VAL A 75 1.678 -0.074 -4.708 1.00 0.00 C ATOM 978 O VAL A 75 0.532 -0.465 -4.793 1.00 0.00 O ATOM 979 CB VAL A 75 1.712 0.714 -2.349 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.190 -0.712 -2.045 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.480 1.694 -1.492 1.00 0.00 C ATOM 0 H VAL A 75 0.204 2.162 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 75 3.091 1.284 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 75 0.640 0.762 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.960 -0.960 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.683 -1.414 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.267 -0.776 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.290 1.484 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.547 1.597 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.158 2.709 -1.723 1.00 0.00 H new ATOM 991 N GLU A 76 2.665 -0.513 -5.435 1.00 0.00 N ATOM 992 CA GLU A 76 2.411 -1.652 -6.363 1.00 0.00 C ATOM 993 C GLU A 76 3.205 -2.896 -5.943 1.00 0.00 C ATOM 994 O GLU A 76 4.411 -2.905 -6.048 1.00 0.00 O ATOM 995 CB GLU A 76 2.834 -1.236 -7.777 1.00 0.00 C ATOM 996 CG GLU A 76 2.859 0.299 -7.877 1.00 0.00 C ATOM 997 CD GLU A 76 2.987 0.716 -9.347 1.00 0.00 C ATOM 998 OE1 GLU A 76 2.595 -0.097 -10.168 1.00 0.00 O ATOM 999 OE2 GLU A 76 3.450 1.825 -9.558 1.00 0.00 O ATOM 0 H GLU A 76 3.616 -0.144 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 76 1.350 -1.899 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.819 -1.642 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.141 -1.647 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.948 0.716 -7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.694 0.698 -7.301 1.00 0.00 H new ATOM 1006 N VAL A 77 2.523 -3.919 -5.500 1.00 0.00 N ATOM 1007 CA VAL A 77 3.237 -5.168 -5.086 1.00 0.00 C ATOM 1008 C VAL A 77 3.000 -6.124 -6.254 1.00 0.00 C ATOM 1009 O VAL A 77 1.867 -6.398 -6.593 1.00 0.00 O ATOM 1010 CB VAL A 77 2.620 -5.716 -3.767 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.540 -4.580 -2.741 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.204 -6.241 -4.013 1.00 0.00 C ATOM 0 H VAL A 77 1.508 -3.947 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 77 4.298 -5.020 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 77 3.249 -6.527 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.108 -4.957 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.541 -4.195 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.914 -3.779 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.789 -6.620 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.576 -5.432 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.237 -7.045 -4.748 1.00 0.00 H new ATOM 1022 N ARG A 78 4.044 -6.618 -6.859 1.00 0.00 N ATOM 1023 CA ARG A 78 3.813 -7.498 -8.041 1.00 0.00 C ATOM 1024 C ARG A 78 4.192 -8.937 -7.741 1.00 0.00 C ATOM 1025 O ARG A 78 5.050 -9.517 -8.377 1.00 0.00 O ATOM 1026 CB ARG A 78 4.643 -6.959 -9.205 1.00 0.00 C ATOM 1027 CG ARG A 78 3.818 -5.880 -9.910 1.00 0.00 C ATOM 1028 CD ARG A 78 3.488 -4.759 -8.919 1.00 0.00 C ATOM 1029 NE ARG A 78 2.873 -3.632 -9.677 1.00 0.00 N ATOM 1030 CZ ARG A 78 1.582 -3.618 -9.881 1.00 0.00 C ATOM 1031 NH1 ARG A 78 0.875 -4.672 -9.578 1.00 0.00 N ATOM 1032 NH2 ARG A 78 1.037 -2.544 -10.382 1.00 0.00 N ATOM 0 H ARG A 78 5.017 -6.459 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 78 2.753 -7.492 -8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.584 -6.544 -8.843 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.894 -7.762 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.373 -5.479 -10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.899 -6.311 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.803 -5.120 -8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.391 -4.425 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 78 3.457 -2.876 -10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.330 -5.496 -9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.133 -4.672 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.617 -1.735 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.031 -2.513 -10.549 1.00 0.00 H new ATOM 1046 N ASP A 79 3.528 -9.479 -6.760 1.00 0.00 N ATOM 1047 CA ASP A 79 3.839 -10.875 -6.379 1.00 0.00 C ATOM 1048 C ASP A 79 2.704 -11.469 -5.555 1.00 0.00 C ATOM 1049 O ASP A 79 2.400 -12.639 -5.663 1.00 0.00 O ATOM 1050 CB ASP A 79 5.141 -10.884 -5.570 1.00 0.00 C ATOM 1051 CG ASP A 79 5.721 -12.301 -5.572 1.00 0.00 C ATOM 1052 OD1 ASP A 79 5.988 -12.774 -6.665 1.00 0.00 O ATOM 1053 OD2 ASP A 79 5.867 -12.827 -4.481 1.00 0.00 O ATOM 0 H ASP A 79 2.796 -9.022 -6.216 1.00 0.00 H new ATOM 0 HA ASP A 79 3.956 -11.481 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.857 -10.184 -6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.951 -10.557 -4.548 1.00 0.00 H new ATOM 1058 N SER A 80 2.071 -10.635 -4.777 1.00 0.00 N ATOM 1059 CA SER A 80 0.977 -11.157 -3.911 1.00 0.00 C ATOM 1060 C SER A 80 1.550 -12.312 -3.085 1.00 0.00 C ATOM 1061 O SER A 80 1.574 -13.446 -3.522 1.00 0.00 O ATOM 1062 CB SER A 80 -0.170 -11.655 -4.794 1.00 0.00 C ATOM 1063 OG SER A 80 -1.044 -12.299 -3.879 1.00 0.00 O ATOM 0 H SER A 80 2.258 -9.635 -4.703 1.00 0.00 H new ATOM 0 HA SER A 80 0.594 -10.379 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.665 -10.832 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.185 -12.343 -5.561 1.00 0.00 H new ATOM 0 HG SER A 80 -1.093 -11.777 -3.051 1.00 0.00 H new ATOM 1069 N ILE A 81 2.014 -11.976 -1.914 1.00 0.00 N ATOM 1070 CA ILE A 81 2.624 -12.994 -1.011 1.00 0.00 C ATOM 1071 C ILE A 81 2.268 -12.586 0.415 1.00 0.00 C ATOM 1072 O ILE A 81 1.832 -11.474 0.620 1.00 0.00 O ATOM 1073 CB ILE A 81 4.146 -12.960 -1.198 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.548 -11.590 -1.761 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.545 -14.054 -2.193 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.057 -11.408 -1.587 1.00 0.00 C ATOM 0 H ILE A 81 1.997 -11.028 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 81 2.262 -14.000 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 81 4.647 -13.127 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.279 -11.522 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.010 -10.796 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.626 -14.040 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.242 -15.027 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.051 -13.875 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.355 -10.437 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.310 -11.460 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.583 -12.197 -2.125 1.00 0.00 H new ATOM 1088 N PRO A 82 2.467 -13.465 1.362 1.00 0.00 N ATOM 1089 CA PRO A 82 2.040 -13.230 2.764 1.00 0.00 C ATOM 1090 C PRO A 82 2.115 -11.752 3.177 1.00 0.00 C ATOM 1091 O PRO A 82 1.307 -11.281 3.953 1.00 0.00 O ATOM 1092 CB PRO A 82 2.981 -14.112 3.589 1.00 0.00 C ATOM 1093 CG PRO A 82 3.531 -15.199 2.612 1.00 0.00 C ATOM 1094 CD PRO A 82 3.205 -14.737 1.172 1.00 0.00 C ATOM 0 HA PRO A 82 0.990 -13.481 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.794 -13.523 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.451 -14.571 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.606 -15.322 2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.073 -16.166 2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.112 -14.589 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.601 -15.474 0.643 1.00 0.00 H new ATOM 1102 N ALA A 83 3.077 -11.046 2.649 1.00 0.00 N ATOM 1103 CA ALA A 83 3.211 -9.599 2.995 1.00 0.00 C ATOM 1104 C ALA A 83 1.875 -8.845 2.891 1.00 0.00 C ATOM 1105 O ALA A 83 1.595 -7.964 3.681 1.00 0.00 O ATOM 1106 CB ALA A 83 4.218 -8.967 2.032 1.00 0.00 C ATOM 0 H ALA A 83 3.774 -11.405 1.996 1.00 0.00 H new ATOM 0 HA ALA A 83 3.546 -9.526 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.331 -7.909 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.181 -9.466 2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.860 -9.075 1.008 1.00 0.00 H new ATOM 1112 N ASP A 84 1.077 -9.221 1.929 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.234 -8.542 1.722 1.00 0.00 C ATOM 1114 C ASP A 84 -1.365 -9.156 2.568 1.00 0.00 C ATOM 1115 O ASP A 84 -2.500 -9.230 2.141 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.577 -8.641 0.233 1.00 0.00 C ATOM 1117 CG ASP A 84 0.684 -8.326 -0.578 1.00 0.00 C ATOM 1118 OD1 ASP A 84 0.946 -7.145 -0.735 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.312 -9.290 -0.983 1.00 0.00 O ATOM 0 H ASP A 84 1.279 -9.975 1.273 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.145 -7.504 2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.942 -9.640 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.374 -7.942 -0.019 1.00 0.00 H new ATOM 1124 N SER A 85 -1.007 -9.679 3.709 1.00 0.00 N ATOM 1125 CA SER A 85 -2.036 -10.245 4.630 1.00 0.00 C ATOM 1126 C SER A 85 -2.380 -9.221 5.726 1.00 0.00 C ATOM 1127 O SER A 85 -1.990 -9.391 6.865 1.00 0.00 O ATOM 1128 CB SER A 85 -1.473 -11.521 5.268 1.00 0.00 C ATOM 1129 OG SER A 85 -0.302 -11.081 5.939 1.00 0.00 O ATOM 0 H SER A 85 -0.046 -9.739 4.044 1.00 0.00 H new ATOM 0 HA SER A 85 -2.944 -10.477 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.186 -11.969 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.242 -12.275 4.516 1.00 0.00 H new ATOM 0 HG SER A 85 0.489 -11.435 5.482 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.099 -8.183 5.386 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.436 -7.169 6.431 1.00 0.00 C ATOM 1137 C GLY A 86 -4.014 -5.899 5.798 1.00 0.00 C ATOM 1138 O GLY A 86 -4.437 -5.898 4.658 1.00 0.00 O ATOM 0 H GLY A 86 -3.461 -7.995 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.156 -7.590 7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.542 -6.920 7.003 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.033 -4.823 6.534 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.599 -3.591 5.924 1.00 0.00 C ATOM 1144 C LEU A 87 -3.485 -2.654 5.468 1.00 0.00 C ATOM 1145 O LEU A 87 -2.535 -2.407 6.184 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.481 -2.878 6.956 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.874 -3.524 6.963 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -6.790 -4.907 7.617 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -7.820 -2.646 7.785 1.00 0.00 C ATOM 0 H LEU A 87 -3.696 -4.743 7.493 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.193 -3.869 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.030 -2.946 7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.560 -1.818 6.714 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.240 -3.622 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.778 -5.367 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.101 -5.535 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.432 -4.804 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.813 -3.094 7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.446 -2.564 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.876 -1.653 7.338 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.621 -2.181 4.260 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.625 -1.228 3.714 1.00 0.00 C ATOM 1163 C TYR A 88 -3.345 0.101 3.666 1.00 0.00 C ATOM 1164 O TYR A 88 -3.957 0.472 2.686 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.219 -1.639 2.313 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.127 -2.690 2.449 1.00 0.00 C ATOM 1167 CD1 TYR A 88 0.200 -2.325 2.514 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.470 -4.016 2.531 1.00 0.00 C ATOM 1169 CE1 TYR A 88 1.176 -3.287 2.658 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.503 -4.981 2.668 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.832 -4.625 2.730 1.00 0.00 C ATOM 1172 OH TYR A 88 1.810 -5.591 2.847 1.00 0.00 O ATOM 0 H TYR A 88 -4.385 -2.417 3.627 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.719 -1.192 4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.073 -2.040 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.857 -0.779 1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.476 -1.283 2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.510 -4.303 2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.214 -2.995 2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.786 -6.022 2.728 1.00 0.00 H new ATOM 0 HH TYR A 88 1.402 -6.437 3.128 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.283 0.772 4.774 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.971 2.084 4.833 1.00 0.00 C ATOM 1184 C ALA A 89 -2.961 3.099 4.318 1.00 0.00 C ATOM 1185 O ALA A 89 -1.823 3.116 4.732 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.355 2.382 6.283 1.00 0.00 C ATOM 0 H ALA A 89 -2.799 0.480 5.623 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.885 2.108 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.862 3.346 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.021 1.602 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.456 2.411 6.899 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.405 3.953 3.449 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.468 4.941 2.866 1.00 0.00 C ATOM 1194 C CYS A 90 -2.679 6.252 3.590 1.00 0.00 C ATOM 1195 O CYS A 90 -3.771 6.783 3.571 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.796 5.106 1.388 1.00 0.00 C ATOM 1197 SG CYS A 90 -4.043 6.336 0.940 1.00 0.00 S ATOM 0 H CYS A 90 -4.368 4.010 3.119 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.432 4.618 2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.873 5.357 0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.125 4.139 1.007 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.625 6.709 4.207 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.702 7.987 4.955 1.00 0.00 C ATOM 1204 C VAL A 91 -0.977 9.045 4.140 1.00 0.00 C ATOM 1205 O VAL A 91 0.205 8.940 3.882 1.00 0.00 O ATOM 1206 CB VAL A 91 -1.003 7.851 6.301 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.338 9.075 7.160 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.496 6.596 7.006 1.00 0.00 C ATOM 0 H VAL A 91 -0.714 6.250 4.223 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.745 8.256 5.121 1.00 0.00 H new ATOM 0 HB VAL A 91 0.074 7.783 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.842 8.988 8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.994 9.978 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.416 9.131 7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.995 6.499 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.573 6.665 7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.274 5.723 6.392 1.00 0.00 H new ATOM 1218 N THR A 92 -1.720 10.050 3.794 1.00 0.00 N ATOM 1219 CA THR A 92 -1.166 11.164 2.986 1.00 0.00 C ATOM 1220 C THR A 92 -0.879 12.271 3.986 1.00 0.00 C ATOM 1221 O THR A 92 -1.752 12.622 4.754 1.00 0.00 O ATOM 1222 CB THR A 92 -2.234 11.610 1.983 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.313 12.054 2.795 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.809 10.404 1.241 1.00 0.00 C ATOM 0 H THR A 92 -2.705 10.149 4.041 1.00 0.00 H new ATOM 0 HA THR A 92 -0.270 10.891 2.429 1.00 0.00 H new ATOM 0 HB THR A 92 -1.820 12.336 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.016 12.119 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.566 10.740 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.010 9.893 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.261 9.718 1.957 1.00 0.00 H new ATOM 1232 N SER A 93 0.319 12.785 3.965 1.00 0.00 N ATOM 1233 CA SER A 93 0.654 13.841 4.959 1.00 0.00 C ATOM 1234 C SER A 93 1.243 15.089 4.298 1.00 0.00 C ATOM 1235 O SER A 93 2.062 15.002 3.404 1.00 0.00 O ATOM 1236 CB SER A 93 1.667 13.254 5.955 1.00 0.00 C ATOM 1237 OG SER A 93 1.442 11.851 5.899 1.00 0.00 O ATOM 0 H SER A 93 1.065 12.527 3.319 1.00 0.00 H new ATOM 0 HA SER A 93 -0.261 14.149 5.464 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.690 13.504 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.507 13.643 6.961 1.00 0.00 H new ATOM 0 HG SER A 93 1.938 11.470 5.144 1.00 0.00 H new ATOM 1243 N SER A 94 0.736 16.210 4.737 1.00 0.00 N ATOM 1244 CA SER A 94 1.208 17.526 4.235 1.00 0.00 C ATOM 1245 C SER A 94 1.489 18.400 5.460 1.00 0.00 C ATOM 1246 O SER A 94 0.833 18.263 6.476 1.00 0.00 O ATOM 1247 CB SER A 94 0.086 18.174 3.443 1.00 0.00 C ATOM 1248 OG SER A 94 -0.820 18.558 4.466 1.00 0.00 O ATOM 0 H SER A 94 -0.002 16.266 5.439 1.00 0.00 H new ATOM 0 HA SER A 94 2.094 17.413 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.436 19.030 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.368 17.479 2.737 1.00 0.00 H new ATOM 0 HG SER A 94 -0.998 19.520 4.402 1.00 0.00 H new ATOM 1254 N PRO A 95 2.418 19.306 5.309 1.00 0.00 N ATOM 1255 CA PRO A 95 2.837 20.205 6.407 1.00 0.00 C ATOM 1256 C PRO A 95 1.655 20.906 7.089 1.00 0.00 C ATOM 1257 O PRO A 95 1.851 21.695 7.993 1.00 0.00 O ATOM 1258 CB PRO A 95 3.773 21.225 5.747 1.00 0.00 C ATOM 1259 CG PRO A 95 4.106 20.684 4.327 1.00 0.00 C ATOM 1260 CD PRO A 95 3.128 19.532 4.027 1.00 0.00 C ATOM 0 HA PRO A 95 3.322 19.642 7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.296 22.203 5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.682 21.351 6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.007 21.474 3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.137 20.333 4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.434 19.798 3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.657 18.636 3.703 1.00 0.00 H new ATOM 1268 N SER A 96 0.456 20.615 6.655 1.00 0.00 N ATOM 1269 CA SER A 96 -0.724 21.262 7.288 1.00 0.00 C ATOM 1270 C SER A 96 -1.567 20.212 8.017 1.00 0.00 C ATOM 1271 O SER A 96 -2.022 20.440 9.120 1.00 0.00 O ATOM 1272 CB SER A 96 -1.562 21.927 6.194 1.00 0.00 C ATOM 1273 OG SER A 96 -1.873 20.861 5.308 1.00 0.00 O ATOM 0 H SER A 96 0.247 19.964 5.898 1.00 0.00 H new ATOM 0 HA SER A 96 -0.393 22.008 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.464 22.383 6.603 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.006 22.717 5.689 1.00 0.00 H new ATOM 0 HG SER A 96 -2.417 21.200 4.567 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.764 19.082 7.388 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.590 18.029 8.051 1.00 0.00 C ATOM 1281 C GLY A 97 -2.335 16.648 7.444 1.00 0.00 C ATOM 1282 O GLY A 97 -1.506 16.504 6.567 1.00 0.00 O ATOM 0 H GLY A 97 -1.398 18.846 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.364 18.006 9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.646 18.280 7.955 1.00 0.00 H new ATOM 1286 N SER A 98 -3.064 15.678 7.928 1.00 0.00 N ATOM 1287 CA SER A 98 -2.907 14.291 7.406 1.00 0.00 C ATOM 1288 C SER A 98 -4.280 13.660 7.134 1.00 0.00 C ATOM 1289 O SER A 98 -5.241 13.929 7.829 1.00 0.00 O ATOM 1290 CB SER A 98 -2.161 13.461 8.452 1.00 0.00 C ATOM 1291 OG SER A 98 -2.003 12.195 7.828 1.00 0.00 O ATOM 0 H SER A 98 -3.762 15.787 8.663 1.00 0.00 H new ATOM 0 HA SER A 98 -2.348 14.316 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.198 13.906 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.728 13.382 9.379 1.00 0.00 H new ATOM 0 HG SER A 98 -1.924 12.316 6.859 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.332 12.834 6.123 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.615 12.158 5.764 1.00 0.00 C ATOM 1299 C ASP A 99 -5.332 10.685 5.471 1.00 0.00 C ATOM 1300 O ASP A 99 -4.276 10.358 4.971 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.189 12.817 4.504 1.00 0.00 C ATOM 1302 CG ASP A 99 -6.412 14.309 4.770 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -5.414 15.010 4.797 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.569 14.659 4.933 1.00 0.00 O ATOM 0 H ASP A 99 -3.538 12.597 5.528 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.326 12.245 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.505 12.684 3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.129 12.341 4.227 1.00 0.00 H new ATOM 1309 N THR A 100 -6.274 9.827 5.754 1.00 0.00 N ATOM 1310 CA THR A 100 -6.007 8.384 5.487 1.00 0.00 C ATOM 1311 C THR A 100 -7.131 7.678 4.723 1.00 0.00 C ATOM 1312 O THR A 100 -8.306 7.891 4.948 1.00 0.00 O ATOM 1313 CB THR A 100 -5.781 7.681 6.822 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.643 8.331 7.371 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.327 6.234 6.604 1.00 0.00 C ATOM 0 H THR A 100 -7.189 10.051 6.146 1.00 0.00 H new ATOM 0 HA THR A 100 -5.126 8.331 4.847 1.00 0.00 H new ATOM 0 HB THR A 100 -6.688 7.706 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.429 7.935 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.172 5.752 7.569 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.092 5.693 6.047 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.394 6.226 6.041 1.00 0.00 H new ATOM 1323 N THR A 101 -6.686 6.841 3.827 1.00 0.00 N ATOM 1324 CA THR A 101 -7.590 6.022 2.965 1.00 0.00 C ATOM 1325 C THR A 101 -7.221 4.555 3.248 1.00 0.00 C ATOM 1326 O THR A 101 -6.049 4.257 3.294 1.00 0.00 O ATOM 1327 CB THR A 101 -7.273 6.403 1.511 1.00 0.00 C ATOM 1328 OG1 THR A 101 -6.358 7.486 1.619 1.00 0.00 O ATOM 1329 CG2 THR A 101 -8.482 7.048 0.832 1.00 0.00 C ATOM 0 H THR A 101 -5.694 6.685 3.650 1.00 0.00 H new ATOM 0 HA THR A 101 -8.652 6.181 3.152 1.00 0.00 H new ATOM 0 HB THR A 101 -6.940 5.520 0.965 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.444 7.137 1.676 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.227 7.307 -0.196 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.317 6.347 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.765 7.951 1.374 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.150 3.640 3.385 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.692 2.251 3.725 1.00 0.00 C ATOM 1339 C TYR A 102 -7.914 1.160 2.669 1.00 0.00 C ATOM 1340 O TYR A 102 -9.017 0.836 2.282 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.381 1.798 5.018 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.698 3.016 5.881 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.720 3.860 5.517 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.981 3.275 7.028 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -10.033 4.956 6.290 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -8.289 4.374 7.805 1.00 0.00 C ATOM 1347 CZ TYR A 102 -9.318 5.221 7.442 1.00 0.00 C ATOM 1348 OH TYR A 102 -9.626 6.321 8.217 1.00 0.00 O ATOM 0 H TYR A 102 -9.155 3.778 3.283 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.610 2.349 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.298 1.257 4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.736 1.110 5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.283 3.662 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.176 2.617 7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.840 5.610 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.722 4.573 8.702 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.025 6.355 8.990 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.826 0.585 2.245 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.890 -0.509 1.245 1.00 0.00 C ATOM 1360 C PHE A 103 -6.709 -1.831 1.974 1.00 0.00 C ATOM 1361 O PHE A 103 -5.622 -2.164 2.395 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.738 -0.367 0.257 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.761 1.026 -0.354 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.475 2.130 0.423 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.077 1.188 -1.686 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.511 3.392 -0.123 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.110 2.452 -2.238 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.831 3.555 -1.453 1.00 0.00 C ATOM 0 H PHE A 103 -5.885 0.831 2.553 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.844 -0.469 0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.788 -0.538 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.822 -1.120 -0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.222 2.002 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.299 0.326 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.289 4.253 0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.354 2.580 -3.282 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.864 4.545 -1.883 1.00 0.00 H new ATOM 1378 N SER A 104 -7.769 -2.560 2.157 1.00 0.00 N ATOM 1379 CA SER A 104 -7.561 -3.865 2.838 1.00 0.00 C ATOM 1380 C SER A 104 -7.010 -4.820 1.779 1.00 0.00 C ATOM 1381 O SER A 104 -7.598 -5.010 0.736 1.00 0.00 O ATOM 1382 CB SER A 104 -8.892 -4.388 3.387 1.00 0.00 C ATOM 1383 OG SER A 104 -9.866 -3.929 2.462 1.00 0.00 O ATOM 0 H SER A 104 -8.724 -2.328 1.882 1.00 0.00 H new ATOM 0 HA SER A 104 -6.873 -3.771 3.678 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.892 -5.476 3.456 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.085 -4.005 4.389 1.00 0.00 H new ATOM 0 HG SER A 104 -10.561 -3.430 2.940 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.859 -5.371 2.043 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.267 -6.304 1.044 1.00 0.00 C ATOM 1391 C VAL A 105 -4.967 -7.622 1.750 1.00 0.00 C ATOM 1392 O VAL A 105 -4.331 -7.671 2.784 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.981 -5.697 0.451 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -4.031 -4.171 0.573 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.762 -6.239 1.196 1.00 0.00 C ATOM 0 H VAL A 105 -5.311 -5.221 2.890 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.963 -6.475 0.222 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.904 -5.971 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.121 -3.742 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.896 -3.791 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.112 -3.892 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.855 -5.807 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.833 -5.974 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.727 -7.324 1.096 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.459 -8.672 1.167 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.247 -10.009 1.782 1.00 0.00 C ATOM 1407 C ASN A 106 -4.721 -11.039 0.789 1.00 0.00 C ATOM 1408 O ASN A 106 -5.270 -11.229 -0.277 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.582 -10.490 2.341 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.670 -10.317 1.286 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -8.033 -9.215 0.924 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -8.218 -11.383 0.771 1.00 0.00 N ATOM 0 H ASN A 106 -5.995 -8.666 0.299 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.494 -9.906 2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.509 -11.537 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.837 -9.925 3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.949 -11.291 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.915 -12.309 1.073 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.632 -11.656 1.148 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.074 -12.706 0.248 1.00 0.00 C ATOM 1421 C VAL A 107 -3.331 -14.103 0.828 1.00 0.00 C ATOM 1422 O VAL A 107 -3.023 -14.374 1.971 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.571 -12.477 0.101 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.919 -12.584 1.482 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.004 -13.567 -0.813 1.00 0.00 C ATOM 0 H VAL A 107 -3.111 -11.485 2.008 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.560 -12.644 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.373 -11.493 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.155 -12.422 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.344 -11.830 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.103 -13.576 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.070 -13.421 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.191 -14.546 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.487 -13.511 -1.789 1.00 0.00 H new ATOM 1435 N SER A 108 -3.914 -14.950 0.024 1.00 0.00 N ATOM 1436 CA SER A 108 -4.195 -16.338 0.496 1.00 0.00 C ATOM 1437 C SER A 108 -3.709 -17.364 -0.541 1.00 0.00 C ATOM 1438 O SER A 108 -2.522 -17.598 -0.666 1.00 0.00 O ATOM 1439 CB SER A 108 -5.706 -16.470 0.733 1.00 0.00 C ATOM 1440 OG SER A 108 -5.827 -17.628 1.546 1.00 0.00 O ATOM 0 H SER A 108 -4.206 -14.745 -0.931 1.00 0.00 H new ATOM 0 HA SER A 108 -3.661 -16.534 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.110 -15.589 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.249 -16.583 -0.205 1.00 0.00 H new ATOM 0 HG SER A 108 -6.772 -17.787 1.750 1.00 0.00 H new