USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 568 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 70 ASN :FLIP amide:sc= -0.213 F(o=-4.1!,f=-1.2) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -115:sc= -0.974! (180deg=-3.15!) USER MOD Set 2.1: A 9 SER OG : rot 97:sc= 1.16 USER MOD Set 2.2: A 96 GLN :FLIP amide:sc= -2.02! C(o=-8.9!,f=-0.86!) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0671) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -3.48 K(o=-3.5,f=-6.6!) USER MOD Single : A 24 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.58) USER MOD Single : A 46 SER OG : rot -40:sc= 0.14 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-3!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 79 HIS : no HE2:sc= -3.58! C(o=-3.6!,f=-3.6!) USER MOD Single : A 81 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.97) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -75:sc=0.000258 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.042 -6.719 -0.383 1.00 0.00 N ATOM 67 CA LYS A 8 -13.114 -5.617 -1.327 1.00 0.00 C ATOM 68 C LYS A 8 -11.705 -5.078 -1.583 1.00 0.00 C ATOM 69 O LYS A 8 -10.827 -5.193 -0.728 1.00 0.00 O ATOM 70 CB LYS A 8 -14.099 -4.554 -0.837 1.00 0.00 C ATOM 71 CG LYS A 8 -15.364 -4.541 -1.696 1.00 0.00 C ATOM 72 CD LYS A 8 -16.495 -5.319 -1.020 1.00 0.00 C ATOM 73 CE LYS A 8 -17.802 -5.178 -1.803 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.386 -3.834 -1.599 1.00 0.00 N ATOM 0 HA LYS A 8 -13.504 -5.961 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.363 -4.749 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.625 -3.573 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.679 -3.512 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.150 -4.978 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.223 -6.372 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.635 -4.954 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.617 -5.343 -2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.510 -5.941 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.348 -3.810 -1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.424 -3.623 -0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.797 -3.123 -2.078 1.00 0.00 H new ATOM 88 N SER A 9 -11.531 -4.501 -2.763 1.00 0.00 N ATOM 89 CA SER A 9 -10.244 -3.944 -3.141 1.00 0.00 C ATOM 90 C SER A 9 -10.412 -2.488 -3.580 1.00 0.00 C ATOM 91 O SER A 9 -11.269 -2.180 -4.408 1.00 0.00 O ATOM 92 CB SER A 9 -9.596 -4.764 -4.259 1.00 0.00 C ATOM 93 OG SER A 9 -10.104 -4.411 -5.543 1.00 0.00 O ATOM 0 H SER A 9 -12.260 -4.407 -3.470 1.00 0.00 H new ATOM 0 HA SER A 9 -9.587 -3.981 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.517 -4.612 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.771 -5.825 -4.079 1.00 0.00 H new ATOM 0 HG SER A 9 -9.498 -3.770 -5.970 1.00 0.00 H new ATOM 99 N LEU A 10 -9.581 -1.630 -3.007 1.00 0.00 N ATOM 100 CA LEU A 10 -9.627 -0.214 -3.329 1.00 0.00 C ATOM 101 C LEU A 10 -8.261 0.230 -3.856 1.00 0.00 C ATOM 102 O LEU A 10 -7.241 -0.379 -3.537 1.00 0.00 O ATOM 103 CB LEU A 10 -10.113 0.594 -2.124 1.00 0.00 C ATOM 104 CG LEU A 10 -10.946 -0.172 -1.095 1.00 0.00 C ATOM 105 CD1 LEU A 10 -12.063 -0.966 -1.775 1.00 0.00 C ATOM 106 CD2 LEU A 10 -10.058 -1.064 -0.224 1.00 0.00 C ATOM 0 H LEU A 10 -8.872 -1.888 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.351 -0.027 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.243 1.014 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.705 1.433 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.422 0.553 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.640 -1.501 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.718 -0.283 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.628 -1.681 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.675 -1.597 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.535 -1.783 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.331 -0.448 0.305 1.00 0.00 H new ATOM 118 N THR A 11 -8.286 1.286 -4.655 1.00 0.00 N ATOM 119 CA THR A 11 -7.062 1.818 -5.230 1.00 0.00 C ATOM 120 C THR A 11 -6.684 3.137 -4.553 1.00 0.00 C ATOM 121 O THR A 11 -7.552 3.953 -4.247 1.00 0.00 O ATOM 122 CB THR A 11 -7.266 1.948 -6.741 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.128 0.861 -7.069 1.00 0.00 O ATOM 124 CG2 THR A 11 -5.988 1.663 -7.531 1.00 0.00 C ATOM 0 H THR A 11 -9.134 1.788 -4.918 1.00 0.00 H new ATOM 0 HA THR A 11 -6.221 1.147 -5.058 1.00 0.00 H new ATOM 0 HB THR A 11 -7.620 2.952 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.314 0.870 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.188 1.769 -8.597 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.212 2.369 -7.235 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.651 0.647 -7.324 1.00 0.00 H new ATOM 132 N LEU A 12 -5.387 3.305 -4.338 1.00 0.00 N ATOM 133 CA LEU A 12 -4.883 4.510 -3.703 1.00 0.00 C ATOM 134 C LEU A 12 -3.570 4.923 -4.370 1.00 0.00 C ATOM 135 O LEU A 12 -2.814 4.073 -4.838 1.00 0.00 O ATOM 136 CB LEU A 12 -4.769 4.311 -2.190 1.00 0.00 C ATOM 137 CG LEU A 12 -5.144 2.923 -1.666 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.921 2.006 -1.618 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.842 3.020 -0.308 1.00 0.00 C ATOM 0 H LEU A 12 -4.670 2.626 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.583 5.334 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.743 4.525 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.404 5.047 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.854 2.476 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.215 1.026 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.506 1.900 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.169 2.437 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.098 2.020 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.175 3.496 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.751 3.613 -0.408 1.00 0.00 H new ATOM 151 N VAL A 13 -3.339 6.227 -4.392 1.00 0.00 N ATOM 152 CA VAL A 13 -2.129 6.763 -4.994 1.00 0.00 C ATOM 153 C VAL A 13 -1.138 7.138 -3.891 1.00 0.00 C ATOM 154 O VAL A 13 -1.415 8.016 -3.075 1.00 0.00 O ATOM 155 CB VAL A 13 -2.477 7.938 -5.910 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.362 9.268 -5.163 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.599 7.935 -7.163 1.00 0.00 C ATOM 0 H VAL A 13 -3.969 6.929 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.649 6.011 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.513 7.820 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.615 10.087 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.048 9.270 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.341 9.396 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.867 8.780 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.551 8.016 -6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.752 7.006 -7.713 1.00 0.00 H new ATOM 167 N LEU A 14 -0.004 6.454 -3.901 1.00 0.00 N ATOM 168 CA LEU A 14 1.030 6.704 -2.911 1.00 0.00 C ATOM 169 C LEU A 14 2.155 7.521 -3.550 1.00 0.00 C ATOM 170 O LEU A 14 2.346 7.478 -4.765 1.00 0.00 O ATOM 171 CB LEU A 14 1.503 5.390 -2.286 1.00 0.00 C ATOM 172 CG LEU A 14 0.526 4.718 -1.319 1.00 0.00 C ATOM 173 CD1 LEU A 14 1.147 3.467 -0.694 1.00 0.00 C ATOM 174 CD2 LEU A 14 0.038 5.706 -0.258 1.00 0.00 C ATOM 0 H LEU A 14 0.222 5.726 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 14 0.633 7.297 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.728 4.689 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.437 5.578 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.348 4.396 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.432 3.008 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.405 2.757 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.047 3.743 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.655 5.203 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.890 6.080 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.469 6.540 -0.743 1.00 0.00 H new ATOM 186 N HIS A 15 2.871 8.246 -2.703 1.00 0.00 N ATOM 187 CA HIS A 15 3.972 9.072 -3.170 1.00 0.00 C ATOM 188 C HIS A 15 5.119 9.017 -2.160 1.00 0.00 C ATOM 189 O HIS A 15 4.929 8.589 -1.022 1.00 0.00 O ATOM 190 CB HIS A 15 3.499 10.499 -3.454 1.00 0.00 C ATOM 191 CG HIS A 15 2.279 10.577 -4.341 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.220 9.981 -5.588 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.074 11.185 -4.147 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.029 10.227 -6.113 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.320 10.974 -5.219 1.00 0.00 N ATOM 0 H HIS A 15 2.710 8.279 -1.696 1.00 0.00 H new ATOM 0 HA HIS A 15 4.348 8.682 -4.116 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.280 10.993 -2.508 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.312 11.054 -3.922 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.782 11.744 -3.270 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.680 9.894 -7.080 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.632 11.314 -5.352 1.00 0.00 H new ATOM 268 N LEU A 21 8.166 6.331 1.408 1.00 0.00 N ATOM 269 CA LEU A 21 6.720 6.287 1.271 1.00 0.00 C ATOM 270 C LEU A 21 6.075 6.823 2.550 1.00 0.00 C ATOM 271 O LEU A 21 4.861 7.015 2.604 1.00 0.00 O ATOM 272 CB LEU A 21 6.260 4.878 0.894 1.00 0.00 C ATOM 273 CG LEU A 21 6.042 4.619 -0.598 1.00 0.00 C ATOM 274 CD1 LEU A 21 4.645 5.064 -1.033 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.140 5.279 -1.435 1.00 0.00 C ATOM 0 HA LEU A 21 6.395 6.932 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.999 4.166 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.328 4.669 1.418 1.00 0.00 H new ATOM 0 HG LEU A 21 6.106 3.545 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.516 4.869 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.895 4.510 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.527 6.131 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.961 5.080 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.132 6.355 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.110 4.873 -1.148 1.00 0.00 H new ATOM 287 N GLY A 22 6.915 7.050 3.549 1.00 0.00 N ATOM 288 CA GLY A 22 6.442 7.561 4.824 1.00 0.00 C ATOM 289 C GLY A 22 5.939 6.424 5.717 1.00 0.00 C ATOM 290 O GLY A 22 6.400 6.268 6.847 1.00 0.00 O ATOM 0 H GLY A 22 7.921 6.889 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.248 8.095 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.640 8.279 4.657 1.00 0.00 H new ATOM 294 N PHE A 23 5.002 5.660 5.177 1.00 0.00 N ATOM 295 CA PHE A 23 4.432 4.542 5.910 1.00 0.00 C ATOM 296 C PHE A 23 5.406 3.363 5.956 1.00 0.00 C ATOM 297 O PHE A 23 6.515 3.448 5.430 1.00 0.00 O ATOM 298 CB PHE A 23 3.167 4.115 5.163 1.00 0.00 C ATOM 299 CG PHE A 23 3.427 3.162 3.995 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.489 3.368 3.171 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.595 2.107 3.781 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.730 2.483 2.087 1.00 0.00 C ATOM 303 CE2 PHE A 23 2.836 1.222 2.697 1.00 0.00 C ATOM 304 CZ PHE A 23 3.898 1.429 1.873 1.00 0.00 C ATOM 0 H PHE A 23 4.623 5.793 4.240 1.00 0.00 H new ATOM 0 HA PHE A 23 4.217 4.841 6.936 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.487 3.635 5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.661 5.005 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.150 4.205 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.752 1.943 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.574 2.647 1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.176 0.384 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.081 0.756 1.048 1.00 0.00 H new ATOM 314 N ASN A 24 4.957 2.290 6.590 1.00 0.00 N ATOM 315 CA ASN A 24 5.774 1.095 6.712 1.00 0.00 C ATOM 316 C ASN A 24 4.914 -0.137 6.427 1.00 0.00 C ATOM 317 O ASN A 24 3.687 -0.068 6.481 1.00 0.00 O ATOM 318 CB ASN A 24 6.343 0.958 8.125 1.00 0.00 C ATOM 319 CG ASN A 24 7.870 0.866 8.095 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.544 1.538 7.332 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.376 -0.003 8.966 1.00 0.00 N ATOM 0 H ASN A 24 4.037 2.223 7.025 1.00 0.00 H new ATOM 0 HA ASN A 24 6.595 1.174 5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.039 1.813 8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.931 0.069 8.602 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.385 -0.138 9.024 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.755 -0.534 9.576 1.00 0.00 H new ATOM 328 N ILE A 25 5.591 -1.237 6.130 1.00 0.00 N ATOM 329 CA ILE A 25 4.904 -2.483 5.836 1.00 0.00 C ATOM 330 C ILE A 25 5.486 -3.598 6.707 1.00 0.00 C ATOM 331 O ILE A 25 6.600 -3.478 7.214 1.00 0.00 O ATOM 332 CB ILE A 25 4.956 -2.783 4.337 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.328 -2.435 3.755 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.822 -2.073 3.596 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.561 -3.161 2.429 1.00 0.00 C ATOM 0 H ILE A 25 6.609 -1.291 6.087 1.00 0.00 H new ATOM 0 HA ILE A 25 3.846 -2.403 6.084 1.00 0.00 H new ATOM 0 HB ILE A 25 4.810 -3.854 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.399 -1.358 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.108 -2.708 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.882 -2.303 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.863 -2.413 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.911 -0.996 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.543 -2.896 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.513 -4.238 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.793 -2.867 1.713 1.00 0.00 H new ATOM 347 N ILE A 26 4.706 -4.659 6.854 1.00 0.00 N ATOM 348 CA ILE A 26 5.129 -5.795 7.655 1.00 0.00 C ATOM 349 C ILE A 26 5.031 -7.070 6.816 1.00 0.00 C ATOM 350 O ILE A 26 4.410 -7.073 5.755 1.00 0.00 O ATOM 351 CB ILE A 26 4.335 -5.855 8.961 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.980 -6.534 8.748 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.188 -4.464 9.579 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.307 -6.849 10.086 1.00 0.00 C ATOM 0 H ILE A 26 3.783 -4.756 6.431 1.00 0.00 H new ATOM 0 HA ILE A 26 6.173 -5.686 7.949 1.00 0.00 H new ATOM 0 HB ILE A 26 4.893 -6.465 9.672 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.334 -5.886 8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.116 -7.454 8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.620 -4.536 10.506 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.175 -4.053 9.790 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.664 -3.810 8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.346 -7.331 9.905 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.945 -7.517 10.666 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.150 -5.924 10.641 1.00 0.00 H new ATOM 555 N GLY A 42 2.867 -12.275 3.523 1.00 0.00 N ATOM 556 CA GLY A 42 1.794 -11.305 3.380 1.00 0.00 C ATOM 557 C GLY A 42 2.262 -9.906 3.786 1.00 0.00 C ATOM 558 O GLY A 42 2.751 -9.710 4.897 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.447 -11.291 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.946 -11.602 3.997 1.00 0.00 H new ATOM 562 N ILE A 43 2.096 -8.971 2.863 1.00 0.00 N ATOM 563 CA ILE A 43 2.495 -7.596 3.110 1.00 0.00 C ATOM 564 C ILE A 43 1.299 -6.812 3.656 1.00 0.00 C ATOM 565 O ILE A 43 0.215 -6.843 3.076 1.00 0.00 O ATOM 566 CB ILE A 43 3.110 -6.981 1.851 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.135 -7.928 1.223 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.708 -5.605 2.149 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.103 -8.466 2.279 1.00 0.00 C ATOM 0 H ILE A 43 1.690 -9.138 1.942 1.00 0.00 H new ATOM 0 HA ILE A 43 3.276 -7.557 3.869 1.00 0.00 H new ATOM 0 HB ILE A 43 2.316 -6.835 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.620 -8.758 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.692 -7.404 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.138 -5.190 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.926 -4.940 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.486 -5.703 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.821 -9.136 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.634 -7.635 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.545 -9.011 3.040 1.00 0.00 H new ATOM 581 N PHE A 44 1.537 -6.129 4.766 1.00 0.00 N ATOM 582 CA PHE A 44 0.493 -5.339 5.396 1.00 0.00 C ATOM 583 C PHE A 44 1.061 -4.041 5.974 1.00 0.00 C ATOM 584 O PHE A 44 2.264 -3.938 6.214 1.00 0.00 O ATOM 585 CB PHE A 44 -0.080 -6.183 6.536 1.00 0.00 C ATOM 586 CG PHE A 44 -0.899 -7.387 6.068 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.278 -8.445 5.481 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.248 -7.400 6.238 1.00 0.00 C ATOM 589 CE1 PHE A 44 -1.038 -9.563 5.046 1.00 0.00 C ATOM 590 CE2 PHE A 44 -3.008 -8.518 5.803 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.387 -9.576 5.216 1.00 0.00 C ATOM 0 H PHE A 44 2.437 -6.106 5.245 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.269 -5.076 4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.740 -6.536 7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.709 -5.550 7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.793 -8.435 5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.742 -6.560 6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.544 -10.403 4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.079 -8.528 5.938 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.965 -10.426 4.885 1.00 0.00 H new ATOM 601 N VAL A 45 0.170 -3.083 6.182 1.00 0.00 N ATOM 602 CA VAL A 45 0.568 -1.796 6.727 1.00 0.00 C ATOM 603 C VAL A 45 0.245 -1.760 8.223 1.00 0.00 C ATOM 604 O VAL A 45 -0.914 -1.886 8.615 1.00 0.00 O ATOM 605 CB VAL A 45 -0.103 -0.666 5.944 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.275 0.700 6.520 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.246 -0.749 4.456 1.00 0.00 C ATOM 0 H VAL A 45 -0.826 -3.172 5.983 1.00 0.00 H new ATOM 0 HA VAL A 45 1.643 -1.652 6.622 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.182 -0.784 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.215 1.486 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.046 0.758 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.356 0.831 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.243 0.065 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.326 -0.668 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.096 -1.703 4.055 1.00 0.00 H new ATOM 617 N SER A 46 1.292 -1.587 9.017 1.00 0.00 N ATOM 618 CA SER A 46 1.135 -1.532 10.460 1.00 0.00 C ATOM 619 C SER A 46 1.500 -0.138 10.974 1.00 0.00 C ATOM 620 O SER A 46 1.346 0.151 12.160 1.00 0.00 O ATOM 621 CB SER A 46 1.995 -2.593 11.149 1.00 0.00 C ATOM 622 OG SER A 46 1.625 -2.779 12.512 1.00 0.00 O ATOM 0 H SER A 46 2.252 -1.483 8.688 1.00 0.00 H new ATOM 0 HA SER A 46 0.091 -1.738 10.698 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.900 -3.539 10.616 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.044 -2.300 11.095 1.00 0.00 H new ATOM 0 HG SER A 46 1.430 -1.909 12.919 1.00 0.00 H new ATOM 628 N LYS A 47 1.976 0.690 10.056 1.00 0.00 N ATOM 629 CA LYS A 47 2.364 2.047 10.401 1.00 0.00 C ATOM 630 C LYS A 47 1.967 2.991 9.265 1.00 0.00 C ATOM 631 O LYS A 47 1.994 2.608 8.096 1.00 0.00 O ATOM 632 CB LYS A 47 3.851 2.105 10.757 1.00 0.00 C ATOM 633 CG LYS A 47 4.149 3.289 11.680 1.00 0.00 C ATOM 634 CD LYS A 47 4.920 4.382 10.937 1.00 0.00 C ATOM 635 CE LYS A 47 4.631 5.760 11.536 1.00 0.00 C ATOM 636 NZ LYS A 47 5.620 6.086 12.587 1.00 0.00 N ATOM 0 H LYS A 47 2.102 0.447 9.073 1.00 0.00 H new ATOM 0 HA LYS A 47 1.833 2.380 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.148 1.176 11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.443 2.191 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.215 3.697 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.729 2.949 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.989 4.176 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.644 4.374 9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.661 6.517 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.626 5.777 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.409 7.024 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.572 5.373 13.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.575 6.090 12.176 1.00 0.00 H new ATOM 650 N ILE A 48 1.608 4.208 9.647 1.00 0.00 N ATOM 651 CA ILE A 48 1.206 5.210 8.675 1.00 0.00 C ATOM 652 C ILE A 48 1.469 6.604 9.247 1.00 0.00 C ATOM 653 O ILE A 48 0.835 7.010 10.219 1.00 0.00 O ATOM 654 CB ILE A 48 -0.246 4.986 8.244 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.351 3.823 7.256 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.855 6.273 7.684 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.738 3.775 6.612 1.00 0.00 C ATOM 0 H ILE A 48 1.587 4.523 10.617 1.00 0.00 H new ATOM 0 HA ILE A 48 1.802 5.120 7.767 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.827 4.712 9.125 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.410 3.928 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.153 2.884 7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.887 6.087 7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.833 7.049 8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.280 6.601 6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.786 2.939 5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.494 3.645 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.923 4.706 6.077 1.00 0.00 H new ATOM 669 N VAL A 49 2.407 7.299 8.619 1.00 0.00 N ATOM 670 CA VAL A 49 2.763 8.639 9.053 1.00 0.00 C ATOM 671 C VAL A 49 1.628 9.602 8.701 1.00 0.00 C ATOM 672 O VAL A 49 1.054 9.521 7.616 1.00 0.00 O ATOM 673 CB VAL A 49 4.105 9.048 8.443 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.151 8.719 6.950 1.00 0.00 C ATOM 675 CG2 VAL A 49 4.389 10.531 8.688 1.00 0.00 C ATOM 0 H VAL A 49 2.931 6.959 7.813 1.00 0.00 H new ATOM 0 HA VAL A 49 2.891 8.669 10.135 1.00 0.00 H new ATOM 0 HB VAL A 49 4.888 8.472 8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.115 9.020 6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.016 7.647 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.355 9.256 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.349 10.796 8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.601 11.132 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.420 10.723 9.760 1.00 0.00 H new ATOM 685 N ASP A 50 1.337 10.492 9.639 1.00 0.00 N ATOM 686 CA ASP A 50 0.281 11.470 9.441 1.00 0.00 C ATOM 687 C ASP A 50 0.706 12.460 8.354 1.00 0.00 C ATOM 688 O ASP A 50 0.354 12.294 7.187 1.00 0.00 O ATOM 689 CB ASP A 50 0.016 12.262 10.723 1.00 0.00 C ATOM 690 CG ASP A 50 -1.218 11.820 11.512 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.333 12.053 10.999 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.018 11.258 12.611 1.00 0.00 O ATOM 0 H ASP A 50 1.814 10.556 10.538 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.624 10.935 9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.890 12.181 11.369 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.094 13.315 10.465 1.00 0.00 H new ATOM 697 N SER A 51 1.455 13.468 8.776 1.00 0.00 N ATOM 698 CA SER A 51 1.931 14.484 7.853 1.00 0.00 C ATOM 699 C SER A 51 2.515 13.823 6.602 1.00 0.00 C ATOM 700 O SER A 51 2.561 14.435 5.536 1.00 0.00 O ATOM 701 CB SER A 51 2.976 15.384 8.515 1.00 0.00 C ATOM 702 OG SER A 51 2.617 16.761 8.444 1.00 0.00 O ATOM 0 H SER A 51 1.744 13.603 9.745 1.00 0.00 H new ATOM 0 HA SER A 51 1.085 15.107 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.095 15.094 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.941 15.236 8.031 1.00 0.00 H new ATOM 0 HG SER A 51 3.309 17.302 8.879 1.00 0.00 H new ATOM 708 N GLY A 52 2.947 12.582 6.775 1.00 0.00 N ATOM 709 CA GLY A 52 3.526 11.832 5.674 1.00 0.00 C ATOM 710 C GLY A 52 2.606 11.853 4.451 1.00 0.00 C ATOM 711 O GLY A 52 1.402 12.074 4.580 1.00 0.00 O ATOM 0 H GLY A 52 2.907 12.078 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.495 12.255 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.701 10.802 5.984 1.00 0.00 H new ATOM 715 N PRO A 53 3.223 11.615 3.263 1.00 0.00 N ATOM 716 CA PRO A 53 2.473 11.605 2.019 1.00 0.00 C ATOM 717 C PRO A 53 1.647 10.323 1.887 1.00 0.00 C ATOM 718 O PRO A 53 0.780 10.226 1.020 1.00 0.00 O ATOM 719 CB PRO A 53 3.519 11.753 0.927 1.00 0.00 C ATOM 720 CG PRO A 53 4.845 11.374 1.567 1.00 0.00 C ATOM 721 CD PRO A 53 4.646 11.350 3.073 1.00 0.00 C ATOM 0 HA PRO A 53 1.742 12.411 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.294 11.104 0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.546 12.775 0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.176 10.399 1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.619 12.092 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.929 10.385 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.259 12.105 3.566 1.00 0.00 H new ATOM 729 N ALA A 54 1.946 9.372 2.759 1.00 0.00 N ATOM 730 CA ALA A 54 1.243 8.101 2.751 1.00 0.00 C ATOM 731 C ALA A 54 -0.166 8.299 3.312 1.00 0.00 C ATOM 732 O ALA A 54 -1.122 7.697 2.825 1.00 0.00 O ATOM 733 CB ALA A 54 2.046 7.068 3.544 1.00 0.00 C ATOM 0 H ALA A 54 2.666 9.456 3.476 1.00 0.00 H new ATOM 0 HA ALA A 54 1.143 7.725 1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.518 6.114 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.028 6.942 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.165 7.410 4.572 1.00 0.00 H new ATOM 739 N ALA A 55 -0.251 9.145 4.328 1.00 0.00 N ATOM 740 CA ALA A 55 -1.528 9.430 4.960 1.00 0.00 C ATOM 741 C ALA A 55 -2.139 10.681 4.324 1.00 0.00 C ATOM 742 O ALA A 55 -3.338 10.721 4.053 1.00 0.00 O ATOM 743 CB ALA A 55 -1.328 9.582 6.469 1.00 0.00 C ATOM 0 H ALA A 55 0.544 9.642 4.729 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.225 8.607 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.286 9.796 6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.920 8.657 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.636 10.401 6.664 1.00 0.00 H new ATOM 749 N LYS A 56 -1.287 11.671 4.106 1.00 0.00 N ATOM 750 CA LYS A 56 -1.728 12.920 3.507 1.00 0.00 C ATOM 751 C LYS A 56 -2.622 12.615 2.304 1.00 0.00 C ATOM 752 O LYS A 56 -3.847 12.617 2.420 1.00 0.00 O ATOM 753 CB LYS A 56 -0.527 13.807 3.172 1.00 0.00 C ATOM 754 CG LYS A 56 -0.270 14.825 4.285 1.00 0.00 C ATOM 755 CD LYS A 56 -1.293 15.962 4.234 1.00 0.00 C ATOM 756 CE LYS A 56 -0.646 17.299 4.600 1.00 0.00 C ATOM 757 NZ LYS A 56 -0.918 18.310 3.553 1.00 0.00 N ATOM 0 H LYS A 56 -0.293 11.634 4.333 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.329 13.491 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.358 13.188 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.706 14.328 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.319 14.330 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.736 15.232 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.724 16.024 3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.112 15.750 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.032 17.646 5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.430 17.169 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.472 19.212 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.529 17.983 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.945 18.446 3.460 1.00 0.00 H new ATOM 771 N GLU A 57 -1.976 12.360 1.176 1.00 0.00 N ATOM 772 CA GLU A 57 -2.697 12.055 -0.048 1.00 0.00 C ATOM 773 C GLU A 57 -2.692 10.547 -0.305 1.00 0.00 C ATOM 774 O GLU A 57 -3.644 10.005 -0.864 1.00 0.00 O ATOM 775 CB GLU A 57 -2.107 12.815 -1.237 1.00 0.00 C ATOM 776 CG GLU A 57 -2.423 14.310 -1.143 1.00 0.00 C ATOM 777 CD GLU A 57 -3.804 14.616 -1.727 1.00 0.00 C ATOM 778 OE1 GLU A 57 -4.795 14.325 -1.023 1.00 0.00 O ATOM 779 OE2 GLU A 57 -3.837 15.135 -2.863 1.00 0.00 O ATOM 0 H GLU A 57 -0.960 12.358 1.084 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.730 12.381 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.027 12.669 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.509 12.412 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.386 14.628 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.663 14.880 -1.678 1.00 0.00 H new ATOM 786 N GLY A 58 -1.609 9.911 0.117 1.00 0.00 N ATOM 787 CA GLY A 58 -1.467 8.475 -0.061 1.00 0.00 C ATOM 788 C GLY A 58 -2.835 7.794 -0.133 1.00 0.00 C ATOM 789 O GLY A 58 -3.211 7.258 -1.174 1.00 0.00 O ATOM 0 H GLY A 58 -0.822 10.363 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.907 8.272 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.892 8.058 0.765 1.00 0.00 H new ATOM 793 N GLY A 59 -3.542 7.837 0.987 1.00 0.00 N ATOM 794 CA GLY A 59 -4.860 7.230 1.064 1.00 0.00 C ATOM 795 C GLY A 59 -4.798 5.872 1.766 1.00 0.00 C ATOM 796 O GLY A 59 -5.816 5.196 1.908 1.00 0.00 O ATOM 0 H GLY A 59 -3.227 8.283 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.538 7.892 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.267 7.106 0.060 1.00 0.00 H new ATOM 800 N LEU A 60 -3.594 5.513 2.185 1.00 0.00 N ATOM 801 CA LEU A 60 -3.386 4.247 2.869 1.00 0.00 C ATOM 802 C LEU A 60 -4.028 4.311 4.256 1.00 0.00 C ATOM 803 O LEU A 60 -4.421 5.383 4.714 1.00 0.00 O ATOM 804 CB LEU A 60 -1.899 3.890 2.895 1.00 0.00 C ATOM 805 CG LEU A 60 -1.568 2.396 2.920 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.483 1.616 1.973 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.089 2.157 2.613 1.00 0.00 C ATOM 0 H LEU A 60 -2.752 6.076 2.064 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.875 3.437 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.424 4.332 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.449 4.356 3.771 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.752 2.022 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.227 0.557 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.521 1.749 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.354 1.986 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.119 1.087 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.145 2.550 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.524 2.663 3.359 1.00 0.00 H new ATOM 819 N GLN A 61 -4.114 3.149 4.887 1.00 0.00 N ATOM 820 CA GLN A 61 -4.701 3.059 6.213 1.00 0.00 C ATOM 821 C GLN A 61 -4.122 1.863 6.971 1.00 0.00 C ATOM 822 O GLN A 61 -4.119 0.743 6.461 1.00 0.00 O ATOM 823 CB GLN A 61 -6.226 2.971 6.133 1.00 0.00 C ATOM 824 CG GLN A 61 -6.881 3.722 7.294 1.00 0.00 C ATOM 825 CD GLN A 61 -8.287 3.185 7.571 1.00 0.00 C ATOM 826 OE1 GLN A 61 -9.283 3.874 7.424 1.00 0.00 O ATOM 827 NE2 GLN A 61 -8.311 1.920 7.979 1.00 0.00 N ATOM 0 H GLN A 61 -3.787 2.262 4.504 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.450 3.967 6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.569 3.388 5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.535 1.926 6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.267 3.622 8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.933 4.785 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.439 1.400 8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.201 1.469 8.190 1.00 0.00 H new ATOM 836 N ILE A 62 -3.645 2.140 8.175 1.00 0.00 N ATOM 837 CA ILE A 62 -3.064 1.100 9.008 1.00 0.00 C ATOM 838 C ILE A 62 -3.940 -0.152 8.937 1.00 0.00 C ATOM 839 O ILE A 62 -5.150 -0.057 8.736 1.00 0.00 O ATOM 840 CB ILE A 62 -2.841 1.616 10.431 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.778 2.716 10.456 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.500 0.467 11.383 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.109 2.802 11.829 1.00 0.00 C ATOM 0 H ILE A 62 -3.649 3.070 8.594 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.078 0.821 8.637 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.772 2.061 10.783 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.026 2.517 9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.236 3.674 10.210 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.346 0.860 12.388 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.320 -0.251 11.396 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.590 -0.028 11.044 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.358 3.592 11.819 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.860 3.025 12.586 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.632 1.850 12.061 1.00 0.00 H new ATOM 855 N HIS A 63 -3.295 -1.297 9.108 1.00 0.00 N ATOM 856 CA HIS A 63 -4.000 -2.567 9.066 1.00 0.00 C ATOM 857 C HIS A 63 -4.630 -2.758 7.685 1.00 0.00 C ATOM 858 O HIS A 63 -5.813 -3.077 7.577 1.00 0.00 O ATOM 859 CB HIS A 63 -5.021 -2.658 10.201 1.00 0.00 C ATOM 860 CG HIS A 63 -4.456 -2.334 11.563 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.275 -2.881 12.035 1.00 0.00 N ATOM 862 CD2 HIS A 63 -4.921 -1.513 12.549 1.00 0.00 C ATOM 863 CE1 HIS A 63 -3.050 -2.404 13.250 1.00 0.00 C ATOM 864 NE2 HIS A 63 -4.071 -1.558 13.567 1.00 0.00 N ATOM 0 H HIS A 63 -2.292 -1.372 9.276 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.296 -3.384 9.222 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.845 -1.977 9.990 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.437 -3.665 10.222 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.827 -0.926 12.508 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.206 -2.643 13.879 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.166 -1.044 14.443 1.00 0.00 H new ATOM 872 N ASP A 64 -3.811 -2.557 6.663 1.00 0.00 N ATOM 873 CA ASP A 64 -4.274 -2.703 5.293 1.00 0.00 C ATOM 874 C ASP A 64 -3.248 -3.514 4.498 1.00 0.00 C ATOM 875 O ASP A 64 -2.069 -3.164 4.461 1.00 0.00 O ATOM 876 CB ASP A 64 -4.429 -1.341 4.615 1.00 0.00 C ATOM 877 CG ASP A 64 -5.734 -0.607 4.928 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.474 -1.113 5.800 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.963 0.442 4.289 1.00 0.00 O ATOM 0 H ASP A 64 -2.830 -2.294 6.756 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.241 -3.205 5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.593 -0.707 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.357 -1.479 3.536 1.00 0.00 H new ATOM 884 N ARG A 65 -3.734 -4.580 3.880 1.00 0.00 N ATOM 885 CA ARG A 65 -2.875 -5.443 3.088 1.00 0.00 C ATOM 886 C ARG A 65 -2.752 -4.904 1.661 1.00 0.00 C ATOM 887 O ARG A 65 -3.758 -4.672 0.993 1.00 0.00 O ATOM 888 CB ARG A 65 -3.421 -6.871 3.040 1.00 0.00 C ATOM 889 CG ARG A 65 -2.357 -7.849 2.537 1.00 0.00 C ATOM 890 CD ARG A 65 -2.993 -9.161 2.075 1.00 0.00 C ATOM 891 NE ARG A 65 -1.949 -10.076 1.559 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.147 -11.377 1.312 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.350 -11.926 1.531 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.142 -12.131 0.845 1.00 0.00 N ATOM 0 H ARG A 65 -4.713 -4.866 3.912 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.893 -5.457 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.754 -7.170 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.293 -6.909 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.805 -7.398 1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.638 -8.049 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.522 -9.630 2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.731 -8.963 1.298 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.021 -9.691 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.115 -11.353 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.500 -12.917 1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.226 -11.714 0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.293 -13.122 0.657 1.00 0.00 H new ATOM 908 N ILE A 66 -1.511 -4.720 1.237 1.00 0.00 N ATOM 909 CA ILE A 66 -1.243 -4.213 -0.098 1.00 0.00 C ATOM 910 C ILE A 66 -1.442 -5.338 -1.116 1.00 0.00 C ATOM 911 O ILE A 66 -0.947 -6.447 -0.925 1.00 0.00 O ATOM 912 CB ILE A 66 0.142 -3.567 -0.159 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.464 -2.837 1.147 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.266 -2.647 -1.375 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.559 -1.789 0.934 1.00 0.00 C ATOM 0 H ILE A 66 -0.679 -4.913 1.795 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.949 -3.423 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 66 0.882 -4.358 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.436 -2.355 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.786 -3.556 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.260 -2.201 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.110 -3.225 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.484 -1.859 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.769 -1.285 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.465 -2.277 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.224 -1.058 0.198 1.00 0.00 H new ATOM 927 N ILE A 67 -2.167 -5.012 -2.176 1.00 0.00 N ATOM 928 CA ILE A 67 -2.438 -5.981 -3.224 1.00 0.00 C ATOM 929 C ILE A 67 -1.472 -5.750 -4.388 1.00 0.00 C ATOM 930 O ILE A 67 -0.755 -6.663 -4.796 1.00 0.00 O ATOM 931 CB ILE A 67 -3.912 -5.935 -3.630 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.788 -5.475 -2.463 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.369 -7.283 -4.192 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.585 -6.370 -1.239 1.00 0.00 C ATOM 0 H ILE A 67 -2.575 -4.090 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.264 -6.994 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.023 -5.199 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.547 -4.443 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.836 -5.493 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.420 -7.223 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.773 -7.532 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.240 -8.056 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.219 -6.021 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.850 -7.397 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.541 -6.331 -0.929 1.00 0.00 H new ATOM 946 N GLU A 68 -1.484 -4.524 -4.890 1.00 0.00 N ATOM 947 CA GLU A 68 -0.619 -4.160 -5.999 1.00 0.00 C ATOM 948 C GLU A 68 -0.003 -2.780 -5.762 1.00 0.00 C ATOM 949 O GLU A 68 -0.567 -1.961 -5.038 1.00 0.00 O ATOM 950 CB GLU A 68 -1.380 -4.201 -7.326 1.00 0.00 C ATOM 951 CG GLU A 68 -0.671 -5.102 -8.338 1.00 0.00 C ATOM 952 CD GLU A 68 -1.444 -6.405 -8.549 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.941 -6.940 -7.534 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.520 -6.837 -9.719 1.00 0.00 O ATOM 0 H GLU A 68 -2.080 -3.770 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 68 0.188 -4.891 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.393 -4.565 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.467 -3.193 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.569 -4.578 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.337 -5.326 -7.988 1.00 0.00 H new ATOM 961 N VAL A 69 1.145 -2.564 -6.386 1.00 0.00 N ATOM 962 CA VAL A 69 1.844 -1.297 -6.252 1.00 0.00 C ATOM 963 C VAL A 69 2.446 -0.906 -7.603 1.00 0.00 C ATOM 964 O VAL A 69 3.326 -1.596 -8.117 1.00 0.00 O ATOM 965 CB VAL A 69 2.886 -1.389 -5.137 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.288 -1.603 -5.713 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.844 -0.148 -4.243 1.00 0.00 C ATOM 0 H VAL A 69 1.609 -3.245 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 69 1.150 -0.507 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 69 2.641 -2.254 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.010 -1.665 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.308 -2.529 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.546 -0.767 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.595 -0.239 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.051 0.739 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.856 -0.058 -3.791 1.00 0.00 H new ATOM 977 N ASN A 70 1.949 0.198 -8.140 1.00 0.00 N ATOM 978 CA ASN A 70 2.427 0.689 -9.422 1.00 0.00 C ATOM 979 C ASN A 70 2.286 -0.416 -10.471 1.00 0.00 C ATOM 980 O ASN A 70 2.929 -0.368 -11.518 1.00 0.00 O ATOM 981 CB ASN A 70 3.904 1.081 -9.344 1.00 0.00 C ATOM 982 CG ASN A 70 4.213 2.243 -10.291 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.342 3.417 -9.681 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.327 2.083 -11.495 1.00 0.00 N flip ATOM 0 H ASN A 70 1.220 0.767 -7.711 1.00 0.00 H new ATOM 0 HA ASN A 70 1.835 1.564 -9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.156 1.363 -8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.526 0.223 -9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.215 1.153 -11.899 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.534 2.879 -12.098 1.00 0.00 H new ATOM 991 N GLY A 71 1.439 -1.385 -10.153 1.00 0.00 N ATOM 992 CA GLY A 71 1.205 -2.499 -11.056 1.00 0.00 C ATOM 993 C GLY A 71 1.961 -3.747 -10.594 1.00 0.00 C ATOM 994 O GLY A 71 1.823 -4.816 -11.187 1.00 0.00 O ATOM 0 H GLY A 71 0.907 -1.421 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.137 -2.714 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.523 -2.229 -12.063 1.00 0.00 H new ATOM 998 N ARG A 72 2.744 -3.569 -9.540 1.00 0.00 N ATOM 999 CA ARG A 72 3.522 -4.667 -8.992 1.00 0.00 C ATOM 1000 C ARG A 72 2.740 -5.369 -7.881 1.00 0.00 C ATOM 1001 O ARG A 72 2.198 -4.717 -6.990 1.00 0.00 O ATOM 1002 CB ARG A 72 4.856 -4.170 -8.431 1.00 0.00 C ATOM 1003 CG ARG A 72 6.033 -4.850 -9.134 1.00 0.00 C ATOM 1004 CD ARG A 72 7.103 -5.273 -8.125 1.00 0.00 C ATOM 1005 NE ARG A 72 8.315 -5.736 -8.837 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.408 -6.215 -8.228 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.448 -6.297 -6.891 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.462 -6.611 -8.954 1.00 0.00 N ATOM 0 H ARG A 72 2.856 -2.681 -9.051 1.00 0.00 H new ATOM 0 HA ARG A 72 3.720 -5.370 -9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.928 -3.090 -8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.902 -4.370 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.679 -5.723 -9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.467 -4.169 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.352 -4.435 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.719 -6.070 -7.488 1.00 0.00 H new ATOM 0 HE ARG A 72 8.318 -5.687 -9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.646 -5.995 -6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.280 -6.662 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.433 -6.548 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.294 -6.975 -8.489 1.00 0.00 H new ATOM 1022 N ASP A 73 2.705 -6.691 -7.970 1.00 0.00 N ATOM 1023 CA ASP A 73 1.997 -7.489 -6.983 1.00 0.00 C ATOM 1024 C ASP A 73 2.889 -7.680 -5.755 1.00 0.00 C ATOM 1025 O ASP A 73 4.047 -8.074 -5.879 1.00 0.00 O ATOM 1026 CB ASP A 73 1.654 -8.873 -7.538 1.00 0.00 C ATOM 1027 CG ASP A 73 0.355 -8.942 -8.343 1.00 0.00 C ATOM 1028 OD1 ASP A 73 0.429 -8.683 -9.564 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -0.683 -9.253 -7.720 1.00 0.00 O ATOM 0 H ASP A 73 3.155 -7.229 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 73 1.076 -6.966 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.475 -9.208 -8.172 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.587 -9.575 -6.707 1.00 0.00 H new ATOM 1034 N LEU A 74 2.314 -7.393 -4.596 1.00 0.00 N ATOM 1035 CA LEU A 74 3.042 -7.528 -3.346 1.00 0.00 C ATOM 1036 C LEU A 74 2.264 -8.449 -2.404 1.00 0.00 C ATOM 1037 O LEU A 74 2.670 -8.664 -1.263 1.00 0.00 O ATOM 1038 CB LEU A 74 3.343 -6.152 -2.749 1.00 0.00 C ATOM 1039 CG LEU A 74 3.716 -5.054 -3.748 1.00 0.00 C ATOM 1040 CD1 LEU A 74 3.994 -3.732 -3.032 1.00 0.00 C ATOM 1041 CD2 LEU A 74 4.891 -5.489 -4.627 1.00 0.00 C ATOM 0 H LEU A 74 1.352 -7.068 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 74 4.012 -7.994 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.469 -5.823 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.160 -6.259 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 74 2.864 -4.889 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.257 -2.969 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.104 -3.420 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.820 -3.863 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.136 -4.691 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.757 -5.699 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.618 -6.387 -5.181 1.00 0.00 H new ATOM 1053 N SER A 75 1.158 -8.969 -2.918 1.00 0.00 N ATOM 1054 CA SER A 75 0.319 -9.863 -2.137 1.00 0.00 C ATOM 1055 C SER A 75 1.118 -11.099 -1.720 1.00 0.00 C ATOM 1056 O SER A 75 0.976 -11.585 -0.599 1.00 0.00 O ATOM 1057 CB SER A 75 -0.927 -10.275 -2.923 1.00 0.00 C ATOM 1058 OG SER A 75 -1.603 -11.373 -2.315 1.00 0.00 O ATOM 0 H SER A 75 0.824 -8.788 -3.865 1.00 0.00 H new ATOM 0 HA SER A 75 -0.008 -9.332 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.607 -9.426 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.642 -10.543 -3.940 1.00 0.00 H new ATOM 0 HG SER A 75 -2.394 -11.605 -2.846 1.00 0.00 H new ATOM 1064 N ARG A 76 1.940 -11.573 -2.645 1.00 0.00 N ATOM 1065 CA ARG A 76 2.761 -12.744 -2.387 1.00 0.00 C ATOM 1066 C ARG A 76 4.241 -12.358 -2.357 1.00 0.00 C ATOM 1067 O ARG A 76 5.111 -13.208 -2.539 1.00 0.00 O ATOM 1068 CB ARG A 76 2.542 -13.817 -3.456 1.00 0.00 C ATOM 1069 CG ARG A 76 3.041 -13.340 -4.822 1.00 0.00 C ATOM 1070 CD ARG A 76 4.017 -14.348 -5.432 1.00 0.00 C ATOM 1071 NE ARG A 76 3.697 -14.561 -6.861 1.00 0.00 N ATOM 1072 CZ ARG A 76 4.194 -15.561 -7.601 1.00 0.00 C ATOM 1073 NH1 ARG A 76 5.038 -16.445 -7.052 1.00 0.00 N ATOM 1074 NH2 ARG A 76 3.848 -15.676 -8.890 1.00 0.00 N ATOM 0 H ARG A 76 2.055 -11.168 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 76 2.468 -13.148 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.065 -14.730 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.482 -14.063 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.194 -13.197 -5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.531 -12.372 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.039 -13.984 -5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.960 -15.294 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 76 3.058 -13.905 -7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.302 -16.357 -6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.416 -17.206 -7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.206 -15.002 -9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.226 -16.437 -9.454 1.00 0.00 H new ATOM 1088 N ALA A 77 4.481 -11.076 -2.127 1.00 0.00 N ATOM 1089 CA ALA A 77 5.841 -10.567 -2.071 1.00 0.00 C ATOM 1090 C ALA A 77 6.265 -10.418 -0.609 1.00 0.00 C ATOM 1091 O ALA A 77 5.433 -10.498 0.294 1.00 0.00 O ATOM 1092 CB ALA A 77 5.924 -9.247 -2.840 1.00 0.00 C ATOM 0 H ALA A 77 3.756 -10.374 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 77 6.532 -11.264 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.944 -8.865 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.641 -9.413 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.246 -8.521 -2.391 1.00 0.00 H new ATOM 1098 N THR A 78 7.559 -10.203 -0.420 1.00 0.00 N ATOM 1099 CA THR A 78 8.104 -10.042 0.917 1.00 0.00 C ATOM 1100 C THR A 78 8.377 -8.565 1.207 1.00 0.00 C ATOM 1101 O THR A 78 8.373 -7.739 0.296 1.00 0.00 O ATOM 1102 CB THR A 78 9.348 -10.924 1.030 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.808 -10.708 2.362 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.500 -10.427 0.154 1.00 0.00 C ATOM 0 H THR A 78 8.246 -10.137 -1.171 1.00 0.00 H new ATOM 0 HA THR A 78 7.391 -10.363 1.676 1.00 0.00 H new ATOM 0 HB THR A 78 9.094 -11.946 0.750 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.613 -11.244 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.358 -11.089 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.187 -10.421 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.777 -9.417 0.456 1.00 0.00 H new ATOM 1112 N HIS A 79 8.609 -8.278 2.480 1.00 0.00 N ATOM 1113 CA HIS A 79 8.884 -6.915 2.901 1.00 0.00 C ATOM 1114 C HIS A 79 9.988 -6.320 2.025 1.00 0.00 C ATOM 1115 O HIS A 79 9.910 -5.159 1.625 1.00 0.00 O ATOM 1116 CB HIS A 79 9.219 -6.865 4.393 1.00 0.00 C ATOM 1117 CG HIS A 79 9.336 -5.466 4.950 1.00 0.00 C ATOM 1118 ND1 HIS A 79 10.553 -4.864 5.217 1.00 0.00 N ATOM 1119 CD2 HIS A 79 8.375 -4.558 5.285 1.00 0.00 C ATOM 1120 CE1 HIS A 79 10.323 -3.649 5.693 1.00 0.00 C ATOM 1121 NE2 HIS A 79 8.973 -3.461 5.735 1.00 0.00 N ATOM 0 H HIS A 79 8.612 -8.966 3.233 1.00 0.00 H new ATOM 0 HA HIS A 79 7.993 -6.302 2.767 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.448 -7.402 4.946 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.158 -7.392 4.562 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.471 -5.284 5.072 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.309 -4.706 5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.073 -2.933 5.995 1.00 0.00 H new ATOM 1129 N ASP A 80 10.990 -7.142 1.752 1.00 0.00 N ATOM 1130 CA ASP A 80 12.109 -6.711 0.930 1.00 0.00 C ATOM 1131 C ASP A 80 11.592 -6.290 -0.447 1.00 0.00 C ATOM 1132 O ASP A 80 11.888 -5.192 -0.916 1.00 0.00 O ATOM 1133 CB ASP A 80 13.115 -7.846 0.730 1.00 0.00 C ATOM 1134 CG ASP A 80 14.490 -7.610 1.358 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.512 -7.143 2.517 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.488 -7.901 0.664 1.00 0.00 O ATOM 0 H ASP A 80 11.051 -8.104 2.085 1.00 0.00 H new ATOM 0 HA ASP A 80 12.599 -5.880 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.695 -8.761 1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.244 -8.012 -0.339 1.00 0.00 H new ATOM 1141 N GLN A 81 10.827 -7.185 -1.056 1.00 0.00 N ATOM 1142 CA GLN A 81 10.267 -6.920 -2.370 1.00 0.00 C ATOM 1143 C GLN A 81 9.324 -5.716 -2.312 1.00 0.00 C ATOM 1144 O GLN A 81 9.426 -4.803 -3.130 1.00 0.00 O ATOM 1145 CB GLN A 81 9.547 -8.154 -2.918 1.00 0.00 C ATOM 1146 CG GLN A 81 10.544 -9.155 -3.504 1.00 0.00 C ATOM 1147 CD GLN A 81 9.986 -9.808 -4.770 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.347 -9.176 -5.595 1.00 0.00 O ATOM 1149 NE2 GLN A 81 10.262 -11.104 -4.878 1.00 0.00 N ATOM 0 H GLN A 81 10.582 -8.094 -0.663 1.00 0.00 H new ATOM 0 HA GLN A 81 11.085 -6.684 -3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.975 -8.629 -2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.835 -7.853 -3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.481 -8.648 -3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.771 -9.923 -2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.802 -11.573 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.934 -11.630 -5.688 1.00 0.00 H new ATOM 1158 N ALA A 82 8.428 -5.753 -1.337 1.00 0.00 N ATOM 1159 CA ALA A 82 7.468 -4.676 -1.161 1.00 0.00 C ATOM 1160 C ALA A 82 8.210 -3.339 -1.119 1.00 0.00 C ATOM 1161 O ALA A 82 7.855 -2.405 -1.837 1.00 0.00 O ATOM 1162 CB ALA A 82 6.646 -4.926 0.105 1.00 0.00 C ATOM 0 H ALA A 82 8.346 -6.512 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 82 6.773 -4.641 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.926 -4.118 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.115 -5.874 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.310 -4.965 0.968 1.00 0.00 H new ATOM 1168 N VAL A 83 9.228 -3.289 -0.272 1.00 0.00 N ATOM 1169 CA VAL A 83 10.023 -2.082 -0.127 1.00 0.00 C ATOM 1170 C VAL A 83 10.611 -1.698 -1.486 1.00 0.00 C ATOM 1171 O VAL A 83 10.409 -0.581 -1.961 1.00 0.00 O ATOM 1172 CB VAL A 83 11.090 -2.284 0.951 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.140 -1.173 0.898 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.456 -2.374 2.340 1.00 0.00 C ATOM 0 H VAL A 83 9.520 -4.066 0.321 1.00 0.00 H new ATOM 0 HA VAL A 83 9.400 -1.251 0.204 1.00 0.00 H new ATOM 0 HB VAL A 83 11.593 -3.230 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.886 -1.340 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.625 -1.177 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.658 -0.209 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.236 -2.518 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.914 -1.452 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.765 -3.216 2.371 1.00 0.00 H new ATOM 1184 N GLU A 84 11.327 -2.645 -2.074 1.00 0.00 N ATOM 1185 CA GLU A 84 11.946 -2.420 -3.369 1.00 0.00 C ATOM 1186 C GLU A 84 10.905 -1.925 -4.376 1.00 0.00 C ATOM 1187 O GLU A 84 11.148 -0.962 -5.102 1.00 0.00 O ATOM 1188 CB GLU A 84 12.638 -3.688 -3.874 1.00 0.00 C ATOM 1189 CG GLU A 84 13.301 -3.447 -5.232 1.00 0.00 C ATOM 1190 CD GLU A 84 14.617 -4.219 -5.344 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.544 -5.467 -5.352 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.666 -3.544 -5.420 1.00 0.00 O ATOM 0 H GLU A 84 11.492 -3.570 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 84 12.709 -1.650 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.388 -4.010 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.910 -4.495 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.626 -3.755 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.488 -2.381 -5.366 1.00 0.00 H new ATOM 1199 N ALA A 85 9.769 -2.606 -4.387 1.00 0.00 N ATOM 1200 CA ALA A 85 8.691 -2.247 -5.293 1.00 0.00 C ATOM 1201 C ALA A 85 8.378 -0.757 -5.142 1.00 0.00 C ATOM 1202 O ALA A 85 8.315 -0.030 -6.132 1.00 0.00 O ATOM 1203 CB ALA A 85 7.473 -3.130 -5.011 1.00 0.00 C ATOM 0 H ALA A 85 9.571 -3.404 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 85 8.986 -2.418 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.664 -2.861 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.740 -4.176 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.147 -2.982 -3.982 1.00 0.00 H new ATOM 1209 N PHE A 86 8.191 -0.348 -3.896 1.00 0.00 N ATOM 1210 CA PHE A 86 7.886 1.043 -3.603 1.00 0.00 C ATOM 1211 C PHE A 86 9.090 1.941 -3.896 1.00 0.00 C ATOM 1212 O PHE A 86 8.930 3.129 -4.169 1.00 0.00 O ATOM 1213 CB PHE A 86 7.555 1.123 -2.112 1.00 0.00 C ATOM 1214 CG PHE A 86 6.125 0.702 -1.768 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.072 1.418 -2.247 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.906 -0.388 -0.984 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.744 1.027 -1.928 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.579 -0.778 -0.666 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.526 -0.063 -1.144 1.00 0.00 C ATOM 0 H PHE A 86 8.245 -0.955 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 86 7.055 1.381 -4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.251 0.490 -1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.714 2.145 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.246 2.283 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.742 -0.956 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.908 1.595 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.405 -1.644 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.517 -0.360 -0.901 1.00 0.00 H new ATOM 1229 N LYS A 87 10.268 1.338 -3.828 1.00 0.00 N ATOM 1230 CA LYS A 87 11.498 2.069 -4.082 1.00 0.00 C ATOM 1231 C LYS A 87 11.628 2.334 -5.583 1.00 0.00 C ATOM 1232 O LYS A 87 11.982 3.438 -5.994 1.00 0.00 O ATOM 1233 CB LYS A 87 12.695 1.327 -3.483 1.00 0.00 C ATOM 1234 CG LYS A 87 13.489 2.237 -2.543 1.00 0.00 C ATOM 1235 CD LYS A 87 14.981 1.905 -2.589 1.00 0.00 C ATOM 1236 CE LYS A 87 15.616 2.039 -1.204 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.849 2.854 -1.275 1.00 0.00 N ATOM 0 H LYS A 87 10.397 0.352 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 87 11.473 3.040 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.348 0.449 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.343 0.970 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.336 3.279 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.119 2.125 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.120 0.889 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.484 2.572 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.908 2.500 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.849 1.051 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.267 2.935 -0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.530 2.398 -1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.618 3.803 -1.633 1.00 0.00 H new ATOM 1251 N THR A 88 11.333 1.303 -6.362 1.00 0.00 N ATOM 1252 CA THR A 88 11.413 1.411 -7.809 1.00 0.00 C ATOM 1253 C THR A 88 10.094 1.939 -8.377 1.00 0.00 C ATOM 1254 O THR A 88 9.956 2.099 -9.589 1.00 0.00 O ATOM 1255 CB THR A 88 11.808 0.041 -8.364 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.602 -0.717 -8.310 1.00 0.00 O ATOM 1257 CG2 THR A 88 12.764 -0.713 -7.437 1.00 0.00 C ATOM 0 H THR A 88 11.038 0.389 -6.018 1.00 0.00 H new ATOM 0 HA THR A 88 12.173 2.132 -8.111 1.00 0.00 H new ATOM 0 HB THR A 88 12.274 0.166 -9.341 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.422 -0.980 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.012 -1.678 -7.878 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.675 -0.130 -7.302 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.286 -0.868 -6.470 1.00 0.00 H new ATOM 1265 N ALA A 89 9.158 2.195 -7.475 1.00 0.00 N ATOM 1266 CA ALA A 89 7.855 2.702 -7.871 1.00 0.00 C ATOM 1267 C ALA A 89 7.992 4.164 -8.302 1.00 0.00 C ATOM 1268 O ALA A 89 8.905 4.862 -7.864 1.00 0.00 O ATOM 1269 CB ALA A 89 6.866 2.524 -6.719 1.00 0.00 C ATOM 0 H ALA A 89 9.276 2.061 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 89 7.467 2.142 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.889 2.904 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.783 1.466 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.220 3.075 -5.847 1.00 0.00 H new ATOM 1275 N LYS A 90 7.069 4.585 -9.154 1.00 0.00 N ATOM 1276 CA LYS A 90 7.074 5.951 -9.649 1.00 0.00 C ATOM 1277 C LYS A 90 5.687 6.566 -9.452 1.00 0.00 C ATOM 1278 O LYS A 90 4.676 5.873 -9.557 1.00 0.00 O ATOM 1279 CB LYS A 90 7.566 5.995 -11.097 1.00 0.00 C ATOM 1280 CG LYS A 90 6.453 5.591 -12.067 1.00 0.00 C ATOM 1281 CD LYS A 90 5.635 6.809 -12.501 1.00 0.00 C ATOM 1282 CE LYS A 90 4.269 6.386 -13.045 1.00 0.00 C ATOM 1283 NZ LYS A 90 3.326 6.129 -11.935 1.00 0.00 N ATOM 0 H LYS A 90 6.312 4.004 -9.514 1.00 0.00 H new ATOM 0 HA LYS A 90 7.777 6.559 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.915 7.000 -11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.418 5.325 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.887 5.109 -12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.799 4.860 -11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.501 7.482 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.179 7.363 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.872 7.167 -13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.376 5.489 -13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.064 5.123 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.778 6.375 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.472 6.708 -12.064 1.00 0.00 H new ATOM 1297 N GLU A 91 5.683 7.860 -9.169 1.00 0.00 N ATOM 1298 CA GLU A 91 4.437 8.576 -8.956 1.00 0.00 C ATOM 1299 C GLU A 91 3.837 9.008 -10.296 1.00 0.00 C ATOM 1300 O GLU A 91 4.565 9.381 -11.214 1.00 0.00 O ATOM 1301 CB GLU A 91 4.646 9.780 -8.036 1.00 0.00 C ATOM 1302 CG GLU A 91 5.501 9.402 -6.824 1.00 0.00 C ATOM 1303 CD GLU A 91 6.973 9.746 -7.063 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.304 10.944 -6.930 1.00 0.00 O ATOM 1305 OE2 GLU A 91 7.733 8.803 -7.373 1.00 0.00 O ATOM 0 H GLU A 91 6.523 8.432 -9.082 1.00 0.00 H new ATOM 0 HA GLU A 91 3.734 7.903 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.129 10.585 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.680 10.158 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.139 9.929 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.401 8.335 -6.622 1.00 0.00 H new ATOM 1312 N PRO A 92 2.481 8.942 -10.367 1.00 0.00 N ATOM 1313 CA PRO A 92 1.694 8.489 -9.233 1.00 0.00 C ATOM 1314 C PRO A 92 1.794 6.971 -9.067 1.00 0.00 C ATOM 1315 O PRO A 92 1.693 6.228 -10.042 1.00 0.00 O ATOM 1316 CB PRO A 92 0.279 8.962 -9.522 1.00 0.00 C ATOM 1317 CG PRO A 92 0.233 9.253 -11.013 1.00 0.00 C ATOM 1318 CD PRO A 92 1.664 9.295 -11.524 1.00 0.00 C ATOM 0 HA PRO A 92 2.050 8.894 -8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.451 8.199 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.039 9.854 -8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.336 8.484 -11.535 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.268 10.203 -11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.813 8.592 -12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.920 10.284 -11.903 1.00 0.00 H new ATOM 1326 N ILE A 93 1.991 6.555 -7.824 1.00 0.00 N ATOM 1327 CA ILE A 93 2.106 5.140 -7.518 1.00 0.00 C ATOM 1328 C ILE A 93 0.714 4.566 -7.247 1.00 0.00 C ATOM 1329 O ILE A 93 0.075 4.919 -6.257 1.00 0.00 O ATOM 1330 CB ILE A 93 3.096 4.918 -6.373 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.466 5.513 -6.709 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.190 3.435 -6.008 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.242 5.855 -5.436 1.00 0.00 C ATOM 0 H ILE A 93 2.074 7.174 -7.017 1.00 0.00 H new ATOM 0 HA ILE A 93 2.514 4.598 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 93 2.723 5.443 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.037 4.804 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.338 6.411 -7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.900 3.306 -5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.210 3.074 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.527 2.867 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.211 6.276 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.679 6.582 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.389 4.951 -4.846 1.00 0.00 H new ATOM 1345 N VAL A 94 0.284 3.691 -8.144 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.020 3.065 -8.014 1.00 0.00 C ATOM 1347 C VAL A 94 -0.918 1.878 -7.055 1.00 0.00 C ATOM 1348 O VAL A 94 -0.302 0.864 -7.380 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.554 2.675 -9.394 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -2.971 2.107 -9.294 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.506 3.863 -10.357 1.00 0.00 C ATOM 0 H VAL A 94 0.816 3.401 -8.964 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.739 3.765 -7.589 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.908 1.894 -9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.326 1.838 -10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.964 1.221 -8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.634 2.857 -8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.891 3.558 -11.330 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.117 4.675 -9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.476 4.203 -10.465 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.532 2.043 -5.892 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.517 0.997 -4.883 1.00 0.00 C ATOM 1363 C VAL A 95 -2.955 0.573 -4.574 1.00 0.00 C ATOM 1364 O VAL A 95 -3.881 1.373 -4.695 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.756 1.475 -3.645 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.204 0.394 -3.142 1.00 0.00 C ATOM 1367 CG2 VAL A 95 -0.011 2.780 -3.930 1.00 0.00 C ATOM 0 H VAL A 95 -2.043 2.885 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.990 0.117 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.484 1.670 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.733 0.758 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.360 -0.501 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.924 0.154 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.522 3.098 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.702 2.623 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.725 3.551 -4.220 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.095 -0.684 -4.181 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.404 -1.224 -3.853 1.00 0.00 C ATOM 1379 C GLN A 96 -4.338 -2.024 -2.551 1.00 0.00 C ATOM 1380 O GLN A 96 -3.315 -2.634 -2.245 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.945 -2.083 -4.998 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.086 -2.982 -4.517 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.040 -3.318 -5.665 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.231 -2.734 -5.567 1.00 0.00 O flip ATOM 1385 NE2 GLN A 96 -6.717 -4.058 -6.579 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.324 -1.344 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.093 -0.392 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.299 -1.440 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.142 -2.696 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.677 -3.902 -4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.634 -2.484 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.786 -4.474 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.378 -4.261 -7.329 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.442 -1.995 -1.819 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.522 -2.709 -0.556 1.00 0.00 C ATOM 1396 C VAL A 97 -6.820 -3.518 -0.514 1.00 0.00 C ATOM 1397 O VAL A 97 -7.751 -3.243 -1.270 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.390 -1.728 0.610 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -4.079 -0.944 0.521 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.592 -0.783 0.669 1.00 0.00 C ATOM 0 H VAL A 97 -6.289 -1.488 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.696 -3.414 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.372 -2.306 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.010 -0.254 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.238 -1.637 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.054 -0.382 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.474 -0.096 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.655 -0.216 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.505 -1.363 0.802 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.841 -4.498 0.377 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.010 -5.347 0.528 1.00 0.00 C ATOM 1412 C LEU A 98 -8.737 -4.982 1.823 1.00 0.00 C ATOM 1413 O LEU A 98 -8.218 -5.208 2.916 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.615 -6.823 0.439 1.00 0.00 C ATOM 1415 CG LEU A 98 -7.645 -7.443 -0.959 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -6.983 -8.822 -0.962 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -9.073 -7.491 -1.506 1.00 0.00 C ATOM 0 H LEU A 98 -6.067 -4.723 1.002 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.711 -5.178 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.608 -6.934 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.282 -7.396 1.083 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.065 -6.807 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.018 -9.240 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.945 -8.728 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.514 -9.482 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.067 -7.936 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.696 -8.092 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.475 -6.479 -1.564 1.00 0.00 H new