USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 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 9 SER OG : rot 70:sc= 0.0244 USER MOD Set 1.2: A 96 GLN : amide:sc= -2.12 K(o=-2.1,f=-8.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-0.75) USER MOD Single : A 24 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0439) 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 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.92! C(o=-3.5!,f=-2.9!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.72 F(o=-2.1,f=-0.72) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -3.99! C(o=-4.8!,f=-4!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -77:sc= 0.107 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.102 -6.580 -0.279 1.00 0.00 N ATOM 67 CA LYS A 8 -13.067 -5.799 -1.503 1.00 0.00 C ATOM 68 C LYS A 8 -11.650 -5.265 -1.722 1.00 0.00 C ATOM 69 O LYS A 8 -10.775 -5.451 -0.878 1.00 0.00 O ATOM 70 CB LYS A 8 -14.138 -4.707 -1.473 1.00 0.00 C ATOM 71 CG LYS A 8 -15.350 -5.104 -2.318 1.00 0.00 C ATOM 72 CD LYS A 8 -16.461 -5.688 -1.442 1.00 0.00 C ATOM 73 CE LYS A 8 -17.818 -5.593 -2.142 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.869 -6.240 -1.325 1.00 0.00 N ATOM 0 HA LYS A 8 -13.308 -6.426 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.451 -4.527 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.720 -3.772 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.725 -4.232 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.051 -5.836 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.238 -6.730 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.499 -5.154 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.074 -4.547 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.764 -6.071 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.784 -6.167 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.631 -7.243 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.932 -5.766 -0.401 1.00 0.00 H new ATOM 88 N SER A 9 -11.467 -4.611 -2.860 1.00 0.00 N ATOM 89 CA SER A 9 -10.172 -4.049 -3.201 1.00 0.00 C ATOM 90 C SER A 9 -10.325 -2.576 -3.585 1.00 0.00 C ATOM 91 O SER A 9 -11.125 -2.239 -4.457 1.00 0.00 O ATOM 92 CB SER A 9 -9.515 -4.830 -4.341 1.00 0.00 C ATOM 93 OG SER A 9 -9.986 -4.407 -5.618 1.00 0.00 O ATOM 0 H SER A 9 -12.195 -4.458 -3.558 1.00 0.00 H new ATOM 0 HA SER A 9 -9.526 -4.124 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.434 -4.702 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.716 -5.894 -4.215 1.00 0.00 H new ATOM 0 HG SER A 9 -9.643 -3.510 -5.812 1.00 0.00 H new ATOM 99 N LEU A 10 -9.546 -1.738 -2.917 1.00 0.00 N ATOM 100 CA LEU A 10 -9.586 -0.310 -3.177 1.00 0.00 C ATOM 101 C LEU A 10 -8.235 0.140 -3.737 1.00 0.00 C ATOM 102 O LEU A 10 -7.214 -0.503 -3.496 1.00 0.00 O ATOM 103 CB LEU A 10 -10.016 0.453 -1.922 1.00 0.00 C ATOM 104 CG LEU A 10 -10.736 -0.370 -0.852 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.794 -1.279 -1.479 1.00 0.00 C ATOM 106 CD2 LEU A 10 -9.737 -1.155 0.001 1.00 0.00 C ATOM 0 H LEU A 10 -8.883 -2.021 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.338 -0.082 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.130 0.902 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.670 1.271 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.257 0.317 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.291 -1.853 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.530 -0.671 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.317 -1.962 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.275 -1.731 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.168 -1.832 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.056 -0.462 0.494 1.00 0.00 H new ATOM 118 N THR A 11 -8.272 1.240 -4.475 1.00 0.00 N ATOM 119 CA THR A 11 -7.063 1.783 -5.071 1.00 0.00 C ATOM 120 C THR A 11 -6.652 3.074 -4.361 1.00 0.00 C ATOM 121 O THR A 11 -7.501 3.893 -4.012 1.00 0.00 O ATOM 122 CB THR A 11 -7.316 1.967 -6.569 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.151 0.866 -6.918 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.053 1.757 -7.406 1.00 0.00 C ATOM 0 H THR A 11 -9.121 1.770 -4.674 1.00 0.00 H new ATOM 0 HA THR A 11 -6.221 1.101 -4.950 1.00 0.00 H new ATOM 0 HB THR A 11 -7.709 2.967 -6.750 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.365 0.908 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.288 1.899 -8.461 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.292 2.477 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.678 0.745 -7.251 1.00 0.00 H new ATOM 132 N LEU A 12 -5.349 3.215 -4.167 1.00 0.00 N ATOM 133 CA LEU A 12 -4.814 4.393 -3.505 1.00 0.00 C ATOM 134 C LEU A 12 -3.521 4.822 -4.202 1.00 0.00 C ATOM 135 O LEU A 12 -2.684 3.984 -4.535 1.00 0.00 O ATOM 136 CB LEU A 12 -4.649 4.136 -2.006 1.00 0.00 C ATOM 137 CG LEU A 12 -5.047 2.742 -1.517 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.831 1.816 -1.452 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.779 2.820 -0.176 1.00 0.00 C ATOM 0 H LEU A 12 -4.648 2.533 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.512 5.226 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.606 4.308 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.242 4.873 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.741 2.312 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.142 0.832 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.389 1.725 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.094 2.230 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.051 1.816 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.128 3.278 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.681 3.422 -0.288 1.00 0.00 H new ATOM 151 N VAL A 13 -3.398 6.126 -4.401 1.00 0.00 N ATOM 152 CA VAL A 13 -2.221 6.675 -5.052 1.00 0.00 C ATOM 153 C VAL A 13 -1.263 7.218 -3.990 1.00 0.00 C ATOM 154 O VAL A 13 -1.604 8.144 -3.255 1.00 0.00 O ATOM 155 CB VAL A 13 -2.636 7.732 -6.078 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.500 9.142 -5.499 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.827 7.589 -7.369 1.00 0.00 C ATOM 0 H VAL A 13 -4.094 6.818 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.691 5.897 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.686 7.570 -6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.801 9.874 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.139 9.238 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.463 9.320 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.141 8.352 -8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.767 7.712 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.996 6.601 -7.797 1.00 0.00 H new ATOM 167 N LEU A 14 -0.082 6.618 -3.941 1.00 0.00 N ATOM 168 CA LEU A 14 0.928 7.029 -2.981 1.00 0.00 C ATOM 169 C LEU A 14 2.087 7.697 -3.722 1.00 0.00 C ATOM 170 O LEU A 14 2.304 7.440 -4.905 1.00 0.00 O ATOM 171 CB LEU A 14 1.354 5.845 -2.111 1.00 0.00 C ATOM 172 CG LEU A 14 0.221 5.049 -1.460 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.774 3.984 -0.511 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.772 5.979 -0.762 1.00 0.00 C ATOM 0 H LEU A 14 0.198 5.850 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 14 0.521 7.769 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.945 5.164 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.010 6.216 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.325 4.527 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.052 3.433 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.410 3.295 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.359 4.464 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.567 5.388 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.256 6.548 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.202 6.665 -1.491 1.00 0.00 H new ATOM 186 N HIS A 15 2.804 8.543 -2.995 1.00 0.00 N ATOM 187 CA HIS A 15 3.936 9.250 -3.569 1.00 0.00 C ATOM 188 C HIS A 15 5.185 8.987 -2.725 1.00 0.00 C ATOM 189 O HIS A 15 5.098 8.409 -1.643 1.00 0.00 O ATOM 190 CB HIS A 15 3.626 10.740 -3.721 1.00 0.00 C ATOM 191 CG HIS A 15 2.470 11.035 -4.646 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.644 11.471 -5.949 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.123 10.952 -4.445 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.449 11.640 -6.496 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.508 11.318 -5.563 1.00 0.00 N ATOM 0 H HIS A 15 2.622 8.754 -2.014 1.00 0.00 H new ATOM 0 HA HIS A 15 4.132 8.876 -4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.407 11.157 -2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.515 11.250 -4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.639 10.641 -3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.254 11.974 -7.504 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.502 11.353 -5.701 1.00 0.00 H new ATOM 268 N LEU A 21 7.705 6.812 1.407 1.00 0.00 N ATOM 269 CA LEU A 21 6.310 6.638 1.040 1.00 0.00 C ATOM 270 C LEU A 21 5.424 7.325 2.081 1.00 0.00 C ATOM 271 O LEU A 21 4.367 7.859 1.747 1.00 0.00 O ATOM 272 CB LEU A 21 5.989 5.155 0.842 1.00 0.00 C ATOM 273 CG LEU A 21 6.477 4.533 -0.468 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.747 5.139 -1.668 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.996 4.654 -0.601 1.00 0.00 C ATOM 0 HA LEU A 21 6.106 7.115 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.423 4.596 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.908 5.026 0.902 1.00 0.00 H new ATOM 0 HG LEU A 21 6.239 3.469 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.113 4.679 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.677 4.957 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.931 6.213 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.316 4.204 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.280 5.706 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.476 4.138 0.230 1.00 0.00 H new ATOM 287 N GLY A 22 5.887 7.289 3.322 1.00 0.00 N ATOM 288 CA GLY A 22 5.149 7.901 4.414 1.00 0.00 C ATOM 289 C GLY A 22 4.362 6.851 5.201 1.00 0.00 C ATOM 290 O GLY A 22 3.230 7.099 5.612 1.00 0.00 O ATOM 0 H GLY A 22 6.764 6.846 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.840 8.417 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.465 8.653 4.019 1.00 0.00 H new ATOM 294 N PHE A 23 4.993 5.701 5.387 1.00 0.00 N ATOM 295 CA PHE A 23 4.366 4.613 6.117 1.00 0.00 C ATOM 296 C PHE A 23 5.309 3.413 6.229 1.00 0.00 C ATOM 297 O PHE A 23 6.440 3.460 5.748 1.00 0.00 O ATOM 298 CB PHE A 23 3.125 4.199 5.324 1.00 0.00 C ATOM 299 CG PHE A 23 3.419 3.256 4.156 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.489 3.486 3.348 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.610 2.187 3.925 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.761 2.611 2.264 1.00 0.00 C ATOM 303 CE2 PHE A 23 2.883 1.311 2.840 1.00 0.00 C ATOM 304 CZ PHE A 23 3.953 1.542 2.033 1.00 0.00 C ATOM 0 H PHE A 23 5.932 5.499 5.045 1.00 0.00 H new ATOM 0 HA PHE A 23 4.114 4.939 7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.420 3.715 5.999 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.636 5.094 4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.132 4.334 3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.760 2.004 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.610 2.794 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.241 0.462 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.161 0.876 1.208 1.00 0.00 H new ATOM 314 N ASN A 24 4.808 2.365 6.867 1.00 0.00 N ATOM 315 CA ASN A 24 5.591 1.155 7.049 1.00 0.00 C ATOM 316 C ASN A 24 4.838 -0.031 6.441 1.00 0.00 C ATOM 317 O ASN A 24 3.654 0.077 6.127 1.00 0.00 O ATOM 318 CB ASN A 24 5.816 0.862 8.533 1.00 0.00 C ATOM 319 CG ASN A 24 6.775 1.879 9.154 1.00 0.00 C ATOM 320 OD1 ASN A 24 6.519 3.072 9.189 1.00 0.00 O ATOM 321 ND2 ASN A 24 7.891 1.344 9.641 1.00 0.00 N ATOM 0 H ASN A 24 3.869 2.329 7.264 1.00 0.00 H new ATOM 0 HA ASN A 24 6.555 1.300 6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.863 0.887 9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.220 -0.143 8.652 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.595 1.940 10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.043 0.337 9.579 1.00 0.00 H new ATOM 328 N ILE A 25 5.556 -1.134 6.294 1.00 0.00 N ATOM 329 CA ILE A 25 4.971 -2.339 5.731 1.00 0.00 C ATOM 330 C ILE A 25 5.480 -3.558 6.502 1.00 0.00 C ATOM 331 O ILE A 25 6.602 -3.554 7.005 1.00 0.00 O ATOM 332 CB ILE A 25 5.236 -2.409 4.225 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.648 -1.922 3.894 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.167 -1.643 3.444 1.00 0.00 C ATOM 335 CD1 ILE A 25 7.119 -2.479 2.549 1.00 0.00 C ATOM 0 H ILE A 25 6.538 -1.219 6.555 1.00 0.00 H new ATOM 0 HA ILE A 25 3.887 -2.323 5.841 1.00 0.00 H new ATOM 0 HB ILE A 25 5.175 -3.452 3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.663 -0.832 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.337 -2.230 4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.379 -1.709 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.188 -2.076 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.171 -0.597 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.125 -2.117 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.126 -3.568 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.442 -2.149 1.761 1.00 0.00 H new ATOM 347 N ILE A 26 4.630 -4.571 6.572 1.00 0.00 N ATOM 348 CA ILE A 26 4.979 -5.795 7.274 1.00 0.00 C ATOM 349 C ILE A 26 4.538 -7.000 6.441 1.00 0.00 C ATOM 350 O ILE A 26 3.769 -6.855 5.491 1.00 0.00 O ATOM 351 CB ILE A 26 4.403 -5.783 8.691 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.032 -6.460 8.731 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.356 -4.360 9.252 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.537 -6.612 10.171 1.00 0.00 C ATOM 0 H ILE A 26 3.700 -4.570 6.154 1.00 0.00 H new ATOM 0 HA ILE A 26 6.060 -5.869 7.395 1.00 0.00 H new ATOM 0 HB ILE A 26 5.067 -6.361 9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.316 -5.873 8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.093 -7.440 8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.942 -4.380 10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.364 -3.947 9.281 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.728 -3.738 8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.560 -7.096 10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.243 -7.220 10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.454 -5.628 10.633 1.00 0.00 H new ATOM 555 N GLY A 42 2.872 -12.171 2.983 1.00 0.00 N ATOM 556 CA GLY A 42 2.044 -11.102 2.450 1.00 0.00 C ATOM 557 C GLY A 42 2.623 -9.731 2.805 1.00 0.00 C ATOM 558 O GLY A 42 3.678 -9.642 3.430 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.970 -11.200 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.033 -11.188 2.848 1.00 0.00 H new ATOM 562 N ILE A 43 1.906 -8.697 2.391 1.00 0.00 N ATOM 563 CA ILE A 43 2.335 -7.334 2.657 1.00 0.00 C ATOM 564 C ILE A 43 1.183 -6.557 3.297 1.00 0.00 C ATOM 565 O ILE A 43 0.084 -6.504 2.746 1.00 0.00 O ATOM 566 CB ILE A 43 2.882 -6.686 1.384 1.00 0.00 C ATOM 567 CG1 ILE A 43 3.904 -7.597 0.701 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.456 -5.299 1.678 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.074 -7.906 1.636 1.00 0.00 C ATOM 0 H ILE A 43 1.031 -8.775 1.873 1.00 0.00 H new ATOM 0 HA ILE A 43 3.160 -7.327 3.370 1.00 0.00 H new ATOM 0 HB ILE A 43 2.055 -6.551 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.422 -8.526 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.275 -7.118 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.838 -4.860 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.673 -4.660 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.267 -5.387 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.786 -8.555 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.569 -6.977 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.703 -8.407 2.530 1.00 0.00 H new ATOM 581 N PHE A 44 1.473 -5.974 4.450 1.00 0.00 N ATOM 582 CA PHE A 44 0.474 -5.202 5.171 1.00 0.00 C ATOM 583 C PHE A 44 1.076 -3.909 5.725 1.00 0.00 C ATOM 584 O PHE A 44 2.295 -3.778 5.819 1.00 0.00 O ATOM 585 CB PHE A 44 -0.005 -6.068 6.337 1.00 0.00 C ATOM 586 CG PHE A 44 -0.780 -7.316 5.909 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.112 -8.401 5.434 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.136 -7.340 6.002 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.831 -9.559 5.036 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.855 -8.498 5.604 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.187 -9.583 5.130 1.00 0.00 C ATOM 0 H PHE A 44 2.385 -6.020 4.904 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.343 -4.933 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.859 -6.374 6.927 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.638 -5.465 6.988 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.965 -8.382 5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.667 -6.478 6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.301 -10.421 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.932 -8.517 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.734 -10.464 4.828 1.00 0.00 H new ATOM 601 N VAL A 45 0.192 -2.986 6.076 1.00 0.00 N ATOM 602 CA VAL A 45 0.621 -1.708 6.618 1.00 0.00 C ATOM 603 C VAL A 45 0.400 -1.701 8.132 1.00 0.00 C ATOM 604 O VAL A 45 -0.719 -1.902 8.601 1.00 0.00 O ATOM 605 CB VAL A 45 -0.105 -0.566 5.903 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.177 0.775 6.583 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.272 -0.520 4.421 1.00 0.00 C ATOM 0 H VAL A 45 -0.819 -3.098 5.996 1.00 0.00 H new ATOM 0 HA VAL A 45 1.686 -1.558 6.444 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.176 -0.756 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.351 1.569 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.165 0.738 7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.248 0.975 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.257 0.300 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.347 -0.366 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.004 -1.461 3.946 1.00 0.00 H new ATOM 617 N SER A 46 1.486 -1.467 8.855 1.00 0.00 N ATOM 618 CA SER A 46 1.425 -1.432 10.306 1.00 0.00 C ATOM 619 C SER A 46 1.532 0.013 10.799 1.00 0.00 C ATOM 620 O SER A 46 0.837 0.406 11.735 1.00 0.00 O ATOM 621 CB SER A 46 2.532 -2.287 10.925 1.00 0.00 C ATOM 622 OG SER A 46 2.337 -2.484 12.323 1.00 0.00 O ATOM 0 H SER A 46 2.413 -1.300 8.463 1.00 0.00 H new ATOM 0 HA SER A 46 0.466 -1.846 10.618 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.566 -3.254 10.424 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.497 -1.808 10.758 1.00 0.00 H new ATOM 0 HG SER A 46 3.064 -3.036 12.680 1.00 0.00 H new ATOM 628 N LYS A 47 2.407 0.764 10.147 1.00 0.00 N ATOM 629 CA LYS A 47 2.614 2.156 10.507 1.00 0.00 C ATOM 630 C LYS A 47 2.331 3.040 9.291 1.00 0.00 C ATOM 631 O LYS A 47 2.615 2.654 8.158 1.00 0.00 O ATOM 632 CB LYS A 47 4.010 2.355 11.100 1.00 0.00 C ATOM 633 CG LYS A 47 4.065 3.616 11.964 1.00 0.00 C ATOM 634 CD LYS A 47 4.781 4.752 11.232 1.00 0.00 C ATOM 635 CE LYS A 47 4.276 6.116 11.709 1.00 0.00 C ATOM 636 NZ LYS A 47 5.414 7.005 12.032 1.00 0.00 N ATOM 0 H LYS A 47 2.981 0.434 9.371 1.00 0.00 H new ATOM 0 HA LYS A 47 1.916 2.455 11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.281 1.487 11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.743 2.428 10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.053 3.927 12.224 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.582 3.398 12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.855 4.678 11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.620 4.656 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.658 6.573 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.644 5.990 12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.059 7.956 12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.929 6.626 12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.055 7.059 11.215 1.00 0.00 H new ATOM 650 N ILE A 48 1.774 4.210 9.567 1.00 0.00 N ATOM 651 CA ILE A 48 1.449 5.153 8.510 1.00 0.00 C ATOM 652 C ILE A 48 1.774 6.572 8.980 1.00 0.00 C ATOM 653 O ILE A 48 1.247 7.031 9.992 1.00 0.00 O ATOM 654 CB ILE A 48 -0.002 4.972 8.058 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.195 3.624 7.360 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.453 6.141 7.180 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.602 3.509 6.770 1.00 0.00 C ATOM 0 H ILE A 48 1.539 4.527 10.508 1.00 0.00 H new ATOM 0 HA ILE A 48 2.060 4.961 7.628 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.637 4.970 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.546 3.511 6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.028 2.815 8.071 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.487 5.987 6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.376 7.070 7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.183 6.199 6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.713 2.542 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.339 3.598 7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.757 4.305 6.042 1.00 0.00 H new ATOM 669 N VAL A 49 2.641 7.228 8.222 1.00 0.00 N ATOM 670 CA VAL A 49 3.043 8.585 8.548 1.00 0.00 C ATOM 671 C VAL A 49 1.918 9.551 8.169 1.00 0.00 C ATOM 672 O VAL A 49 1.547 9.649 7.001 1.00 0.00 O ATOM 673 CB VAL A 49 4.371 8.917 7.864 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.868 10.304 8.275 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.423 7.847 8.163 1.00 0.00 C ATOM 0 H VAL A 49 3.076 6.844 7.383 1.00 0.00 H new ATOM 0 HA VAL A 49 3.211 8.686 9.620 1.00 0.00 H new ATOM 0 HB VAL A 49 4.200 8.928 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.813 10.515 7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.131 11.054 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.015 10.333 9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.357 8.106 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.588 7.790 9.239 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.074 6.881 7.798 1.00 0.00 H new ATOM 685 N ASP A 50 1.406 10.239 9.179 1.00 0.00 N ATOM 686 CA ASP A 50 0.331 11.193 8.967 1.00 0.00 C ATOM 687 C ASP A 50 0.705 12.127 7.814 1.00 0.00 C ATOM 688 O ASP A 50 0.298 11.905 6.674 1.00 0.00 O ATOM 689 CB ASP A 50 0.100 12.049 10.213 1.00 0.00 C ATOM 690 CG ASP A 50 -0.964 11.517 11.175 1.00 0.00 C ATOM 691 OD1 ASP A 50 -1.437 10.387 10.930 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.281 12.254 12.134 1.00 0.00 O ATOM 0 H ASP A 50 1.716 10.155 10.147 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.577 10.634 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.043 12.140 10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.186 13.053 9.898 1.00 0.00 H new ATOM 697 N SER A 51 1.475 13.151 8.150 1.00 0.00 N ATOM 698 CA SER A 51 1.908 14.119 7.157 1.00 0.00 C ATOM 699 C SER A 51 2.276 13.405 5.855 1.00 0.00 C ATOM 700 O SER A 51 2.154 13.977 4.773 1.00 0.00 O ATOM 701 CB SER A 51 3.095 14.939 7.667 1.00 0.00 C ATOM 702 OG SER A 51 3.180 16.210 7.029 1.00 0.00 O ATOM 0 H SER A 51 1.810 13.332 9.096 1.00 0.00 H new ATOM 0 HA SER A 51 1.083 14.805 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.002 15.080 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.018 14.385 7.496 1.00 0.00 H new ATOM 0 HG SER A 51 3.949 16.703 7.383 1.00 0.00 H new ATOM 708 N GLY A 52 2.721 12.166 6.003 1.00 0.00 N ATOM 709 CA GLY A 52 3.108 11.367 4.853 1.00 0.00 C ATOM 710 C GLY A 52 2.033 11.414 3.766 1.00 0.00 C ATOM 711 O GLY A 52 0.853 11.602 4.062 1.00 0.00 O ATOM 0 H GLY A 52 2.822 11.696 6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.052 11.735 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.273 10.335 5.162 1.00 0.00 H new ATOM 715 N PRO A 53 2.489 11.236 2.497 1.00 0.00 N ATOM 716 CA PRO A 53 1.579 11.256 1.364 1.00 0.00 C ATOM 717 C PRO A 53 0.767 9.962 1.291 1.00 0.00 C ATOM 718 O PRO A 53 -0.088 9.810 0.419 1.00 0.00 O ATOM 719 CB PRO A 53 2.468 11.469 0.150 1.00 0.00 C ATOM 720 CG PRO A 53 3.874 11.097 0.591 1.00 0.00 C ATOM 721 CD PRO A 53 3.879 11.011 2.109 1.00 0.00 C ATOM 0 HA PRO A 53 0.832 12.046 1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.144 10.848 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.426 12.505 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.172 10.144 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.591 11.843 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.233 10.038 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.539 11.761 2.546 1.00 0.00 H new ATOM 729 N ALA A 54 1.062 9.062 2.217 1.00 0.00 N ATOM 730 CA ALA A 54 0.370 7.785 2.268 1.00 0.00 C ATOM 731 C ALA A 54 -0.940 7.951 3.042 1.00 0.00 C ATOM 732 O ALA A 54 -1.958 7.363 2.679 1.00 0.00 O ATOM 733 CB ALA A 54 1.286 6.732 2.894 1.00 0.00 C ATOM 0 H ALA A 54 1.771 9.192 2.938 1.00 0.00 H new ATOM 0 HA ALA A 54 0.120 7.444 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.767 5.774 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.189 6.631 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.556 7.039 3.905 1.00 0.00 H new ATOM 739 N ALA A 55 -0.872 8.755 4.092 1.00 0.00 N ATOM 740 CA ALA A 55 -2.040 9.006 4.920 1.00 0.00 C ATOM 741 C ALA A 55 -2.774 10.242 4.397 1.00 0.00 C ATOM 742 O ALA A 55 -4.001 10.251 4.314 1.00 0.00 O ATOM 743 CB ALA A 55 -1.609 9.158 6.380 1.00 0.00 C ATOM 0 H ALA A 55 -0.026 9.242 4.389 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.733 8.166 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.485 9.346 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.119 8.243 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.915 9.994 6.469 1.00 0.00 H new ATOM 749 N LYS A 56 -1.992 11.257 4.058 1.00 0.00 N ATOM 750 CA LYS A 56 -2.552 12.495 3.546 1.00 0.00 C ATOM 751 C LYS A 56 -3.545 12.177 2.426 1.00 0.00 C ATOM 752 O LYS A 56 -4.750 12.107 2.662 1.00 0.00 O ATOM 753 CB LYS A 56 -1.436 13.454 3.124 1.00 0.00 C ATOM 754 CG LYS A 56 -0.711 14.023 4.345 1.00 0.00 C ATOM 755 CD LYS A 56 -1.627 14.955 5.141 1.00 0.00 C ATOM 756 CE LYS A 56 -0.995 16.339 5.302 1.00 0.00 C ATOM 757 NZ LYS A 56 -1.711 17.119 6.336 1.00 0.00 N ATOM 0 H LYS A 56 -0.974 11.246 4.128 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.108 13.013 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.724 12.931 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.856 14.268 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.372 13.208 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.177 14.567 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.588 15.047 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.825 14.525 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.055 16.236 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.024 16.871 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.269 18.056 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.707 17.233 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.661 16.617 7.246 1.00 0.00 H new ATOM 771 N GLU A 57 -3.002 11.991 1.232 1.00 0.00 N ATOM 772 CA GLU A 57 -3.825 11.681 0.076 1.00 0.00 C ATOM 773 C GLU A 57 -3.751 10.187 -0.243 1.00 0.00 C ATOM 774 O GLU A 57 -4.698 9.616 -0.783 1.00 0.00 O ATOM 775 CB GLU A 57 -3.410 12.521 -1.134 1.00 0.00 C ATOM 776 CG GLU A 57 -1.936 12.298 -1.477 1.00 0.00 C ATOM 777 CD GLU A 57 -1.582 12.942 -2.819 1.00 0.00 C ATOM 778 OE1 GLU A 57 -2.275 12.614 -3.806 1.00 0.00 O ATOM 779 OE2 GLU A 57 -0.626 13.747 -2.827 1.00 0.00 O ATOM 0 H GLU A 57 -2.002 12.049 1.040 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.859 11.931 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.030 12.261 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.583 13.577 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.308 12.718 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.726 11.229 -1.516 1.00 0.00 H new ATOM 786 N GLY A 58 -2.618 9.595 0.104 1.00 0.00 N ATOM 787 CA GLY A 58 -2.408 8.178 -0.139 1.00 0.00 C ATOM 788 C GLY A 58 -3.723 7.404 -0.037 1.00 0.00 C ATOM 789 O GLY A 58 -4.068 6.638 -0.936 1.00 0.00 O ATOM 0 H GLY A 58 -1.835 10.071 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.974 8.035 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.693 7.784 0.583 1.00 0.00 H new ATOM 793 N GLY A 59 -4.423 7.631 1.065 1.00 0.00 N ATOM 794 CA GLY A 59 -5.693 6.964 1.296 1.00 0.00 C ATOM 795 C GLY A 59 -5.488 5.625 2.008 1.00 0.00 C ATOM 796 O GLY A 59 -6.440 4.873 2.211 1.00 0.00 O ATOM 0 H GLY A 59 -4.134 8.268 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.340 7.604 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.200 6.800 0.345 1.00 0.00 H new ATOM 800 N LEU A 60 -4.239 5.368 2.368 1.00 0.00 N ATOM 801 CA LEU A 60 -3.897 4.133 3.053 1.00 0.00 C ATOM 802 C LEU A 60 -4.514 4.143 4.453 1.00 0.00 C ATOM 803 O LEU A 60 -5.042 5.162 4.895 1.00 0.00 O ATOM 804 CB LEU A 60 -2.381 3.921 3.051 1.00 0.00 C ATOM 805 CG LEU A 60 -1.907 2.467 3.080 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.710 1.609 2.099 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.402 2.375 2.821 1.00 0.00 C ATOM 0 H LEU A 60 -3.452 5.994 2.198 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.317 3.276 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.968 4.399 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.961 4.437 3.915 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.087 2.069 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.353 0.580 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.765 1.638 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.584 1.997 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.091 1.330 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.175 2.797 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.134 2.932 3.589 1.00 0.00 H new ATOM 819 N GLN A 61 -4.427 2.997 5.111 1.00 0.00 N ATOM 820 CA GLN A 61 -4.971 2.861 6.452 1.00 0.00 C ATOM 821 C GLN A 61 -4.293 1.702 7.185 1.00 0.00 C ATOM 822 O GLN A 61 -4.249 0.582 6.677 1.00 0.00 O ATOM 823 CB GLN A 61 -6.489 2.671 6.412 1.00 0.00 C ATOM 824 CG GLN A 61 -7.155 3.318 7.627 1.00 0.00 C ATOM 825 CD GLN A 61 -8.013 2.304 8.387 1.00 0.00 C ATOM 826 OE1 GLN A 61 -7.549 1.591 9.261 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.287 2.281 8.005 1.00 0.00 N ATOM 0 H GLN A 61 -3.988 2.154 4.741 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.767 3.781 7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.890 3.108 5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.725 1.607 6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.392 3.724 8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.775 4.155 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.609 2.906 7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.942 1.639 8.451 1.00 0.00 H new ATOM 836 N ILE A 62 -3.780 2.010 8.367 1.00 0.00 N ATOM 837 CA ILE A 62 -3.107 1.008 9.175 1.00 0.00 C ATOM 838 C ILE A 62 -3.883 -0.308 9.099 1.00 0.00 C ATOM 839 O ILE A 62 -5.107 -0.305 8.982 1.00 0.00 O ATOM 840 CB ILE A 62 -2.901 1.520 10.603 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.890 2.667 10.634 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.504 0.380 11.542 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.231 2.780 12.010 1.00 0.00 C ATOM 0 H ILE A 62 -3.817 2.940 8.785 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.108 0.812 8.785 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.850 1.918 10.963 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.126 2.504 9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.390 3.604 10.388 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.364 0.771 12.550 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.291 -0.374 11.551 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.574 -0.070 11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.517 3.603 12.005 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.995 2.967 12.765 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.712 1.850 12.242 1.00 0.00 H new ATOM 855 N HIS A 63 -3.138 -1.402 9.170 1.00 0.00 N ATOM 856 CA HIS A 63 -3.741 -2.723 9.111 1.00 0.00 C ATOM 857 C HIS A 63 -4.368 -2.939 7.732 1.00 0.00 C ATOM 858 O HIS A 63 -5.554 -3.248 7.627 1.00 0.00 O ATOM 859 CB HIS A 63 -4.740 -2.916 10.253 1.00 0.00 C ATOM 860 CG HIS A 63 -4.178 -2.606 11.620 1.00 0.00 C ATOM 861 ND1 HIS A 63 -4.684 -1.860 12.644 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -2.953 -3.084 12.053 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -3.816 -1.884 13.648 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -2.743 -2.642 13.284 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.123 -1.400 9.268 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.972 -3.484 9.246 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.607 -2.280 10.075 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.094 -3.947 10.242 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.282 -3.711 11.484 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.940 -1.385 14.598 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.923 -2.835 13.859 1.00 0.00 H new ATOM 872 N ASP A 64 -3.544 -2.768 6.709 1.00 0.00 N ATOM 873 CA ASP A 64 -4.003 -2.941 5.341 1.00 0.00 C ATOM 874 C ASP A 64 -3.267 -4.123 4.706 1.00 0.00 C ATOM 875 O ASP A 64 -2.306 -4.638 5.275 1.00 0.00 O ATOM 876 CB ASP A 64 -3.711 -1.696 4.501 1.00 0.00 C ATOM 877 CG ASP A 64 -2.359 -1.701 3.785 1.00 0.00 C ATOM 878 OD1 ASP A 64 -1.453 -2.398 4.290 1.00 0.00 O ATOM 879 OD2 ASP A 64 -2.262 -1.007 2.750 1.00 0.00 O ATOM 0 H ASP A 64 -2.561 -2.511 6.800 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.079 -3.116 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.499 -1.586 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.759 -0.820 5.148 1.00 0.00 H new ATOM 884 N ARG A 65 -3.746 -4.518 3.536 1.00 0.00 N ATOM 885 CA ARG A 65 -3.146 -5.629 2.818 1.00 0.00 C ATOM 886 C ARG A 65 -2.921 -5.254 1.352 1.00 0.00 C ATOM 887 O ARG A 65 -3.742 -5.572 0.493 1.00 0.00 O ATOM 888 CB ARG A 65 -4.032 -6.874 2.888 1.00 0.00 C ATOM 889 CG ARG A 65 -3.235 -8.135 2.548 1.00 0.00 C ATOM 890 CD ARG A 65 -4.133 -9.374 2.573 1.00 0.00 C ATOM 891 NE ARG A 65 -3.658 -10.363 1.579 1.00 0.00 N ATOM 892 CZ ARG A 65 -4.395 -11.386 1.126 1.00 0.00 C ATOM 893 NH1 ARG A 65 -5.646 -11.561 1.575 1.00 0.00 N ATOM 894 NH2 ARG A 65 -3.882 -12.233 0.224 1.00 0.00 N ATOM 0 H ARG A 65 -4.543 -4.088 3.067 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.190 -5.851 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.457 -6.967 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.867 -6.770 2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.783 -8.029 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.420 -8.258 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.129 -9.816 3.569 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.163 -9.092 2.354 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.710 -10.259 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.037 -10.915 2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.207 -12.340 1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.930 -12.099 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.443 -13.012 -0.121 1.00 0.00 H new ATOM 908 N ILE A 66 -1.804 -4.583 1.110 1.00 0.00 N ATOM 909 CA ILE A 66 -1.461 -4.161 -0.237 1.00 0.00 C ATOM 910 C ILE A 66 -1.578 -5.356 -1.186 1.00 0.00 C ATOM 911 O ILE A 66 -1.091 -6.444 -0.883 1.00 0.00 O ATOM 912 CB ILE A 66 -0.085 -3.494 -0.256 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.071 -2.525 0.919 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.176 -2.811 -1.600 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.132 -1.465 0.618 1.00 0.00 C ATOM 0 H ILE A 66 -1.125 -4.321 1.825 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.161 -3.403 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 66 0.672 -4.270 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.884 -2.041 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.348 -3.078 1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.161 -2.345 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.136 -3.552 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.583 -2.049 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.223 -0.790 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.091 -1.951 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.839 -0.898 -0.266 1.00 0.00 H new ATOM 927 N ILE A 67 -2.226 -5.112 -2.316 1.00 0.00 N ATOM 928 CA ILE A 67 -2.413 -6.155 -3.311 1.00 0.00 C ATOM 929 C ILE A 67 -1.497 -5.883 -4.506 1.00 0.00 C ATOM 930 O ILE A 67 -0.902 -6.806 -5.059 1.00 0.00 O ATOM 931 CB ILE A 67 -3.891 -6.279 -3.685 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.789 -5.981 -2.482 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.189 -7.650 -4.296 1.00 0.00 C ATOM 934 CD1 ILE A 67 -5.040 -7.246 -1.659 1.00 0.00 C ATOM 0 H ILE A 67 -2.628 -4.208 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.128 -7.125 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.114 -5.531 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.323 -5.221 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.739 -5.572 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.247 -7.712 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.589 -7.786 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.944 -8.430 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.681 -7.007 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.528 -7.995 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.090 -7.639 -1.297 1.00 0.00 H new ATOM 946 N GLU A 68 -1.413 -4.611 -4.869 1.00 0.00 N ATOM 947 CA GLU A 68 -0.580 -4.207 -5.989 1.00 0.00 C ATOM 948 C GLU A 68 -0.035 -2.795 -5.761 1.00 0.00 C ATOM 949 O GLU A 68 -0.684 -1.971 -5.119 1.00 0.00 O ATOM 950 CB GLU A 68 -1.353 -4.290 -7.306 1.00 0.00 C ATOM 951 CG GLU A 68 -0.618 -5.171 -8.318 1.00 0.00 C ATOM 952 CD GLU A 68 -1.429 -6.427 -8.643 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.602 -7.246 -7.716 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.857 -6.539 -9.812 1.00 0.00 O ATOM 0 H GLU A 68 -1.908 -3.848 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 68 0.263 -4.895 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.349 -4.694 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.485 -3.290 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.435 -4.606 -9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.355 -5.456 -7.918 1.00 0.00 H new ATOM 961 N VAL A 69 1.153 -2.560 -6.300 1.00 0.00 N ATOM 962 CA VAL A 69 1.792 -1.262 -6.164 1.00 0.00 C ATOM 963 C VAL A 69 2.446 -0.879 -7.493 1.00 0.00 C ATOM 964 O VAL A 69 3.367 -1.553 -7.953 1.00 0.00 O ATOM 965 CB VAL A 69 2.780 -1.286 -4.996 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.196 -1.603 -5.482 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.749 0.035 -4.224 1.00 0.00 C ATOM 0 H VAL A 69 1.689 -3.246 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 69 1.054 -0.494 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 69 2.474 -2.080 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.878 -1.614 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.204 -2.579 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.515 -0.842 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.460 -0.009 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.018 0.853 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.747 0.203 -3.830 1.00 0.00 H new ATOM 977 N ASN A 70 1.945 0.202 -8.073 1.00 0.00 N ATOM 978 CA ASN A 70 2.470 0.683 -9.340 1.00 0.00 C ATOM 979 C ASN A 70 2.263 -0.389 -10.412 1.00 0.00 C ATOM 980 O ASN A 70 2.861 -0.323 -11.485 1.00 0.00 O ATOM 981 CB ASN A 70 3.969 0.971 -9.242 1.00 0.00 C ATOM 982 CG ASN A 70 4.400 1.998 -10.291 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.365 3.256 -9.863 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.742 1.669 -11.415 1.00 0.00 N flip ATOM 0 H ASN A 70 1.181 0.758 -7.689 1.00 0.00 H new ATOM 0 HA ASN A 70 1.943 1.602 -9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.207 1.342 -8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.530 0.047 -9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.746 0.684 -11.679 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.024 2.379 -12.091 1.00 0.00 H new ATOM 991 N GLY A 71 1.414 -1.352 -10.085 1.00 0.00 N ATOM 992 CA GLY A 71 1.121 -2.437 -11.006 1.00 0.00 C ATOM 993 C GLY A 71 1.933 -3.686 -10.659 1.00 0.00 C ATOM 994 O GLY A 71 1.892 -4.679 -11.384 1.00 0.00 O ATOM 0 H GLY A 71 0.919 -1.404 -9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.057 -2.670 -10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.346 -2.124 -12.025 1.00 0.00 H new ATOM 998 N ARG A 72 2.652 -3.596 -9.549 1.00 0.00 N ATOM 999 CA ARG A 72 3.472 -4.707 -9.097 1.00 0.00 C ATOM 1000 C ARG A 72 2.738 -5.502 -8.015 1.00 0.00 C ATOM 1001 O ARG A 72 2.314 -4.940 -7.007 1.00 0.00 O ATOM 1002 CB ARG A 72 4.808 -4.213 -8.539 1.00 0.00 C ATOM 1003 CG ARG A 72 5.980 -4.761 -9.357 1.00 0.00 C ATOM 1004 CD ARG A 72 7.273 -4.749 -8.539 1.00 0.00 C ATOM 1005 NE ARG A 72 8.440 -4.904 -9.435 1.00 0.00 N ATOM 1006 CZ ARG A 72 8.765 -6.047 -10.055 1.00 0.00 C ATOM 1007 NH1 ARG A 72 8.013 -7.141 -9.880 1.00 0.00 N ATOM 1008 NH2 ARG A 72 9.843 -6.095 -10.850 1.00 0.00 N ATOM 0 H ARG A 72 2.683 -2.771 -8.950 1.00 0.00 H new ATOM 0 HA ARG A 72 3.665 -5.349 -9.957 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.830 -3.123 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.909 -4.523 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.759 -5.779 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.110 -4.162 -10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.353 -3.815 -7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.257 -5.556 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 72 9.035 -4.090 -9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.193 -7.105 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.260 -8.011 -10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.416 -5.262 -10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.090 -6.965 -11.322 1.00 0.00 H new ATOM 1022 N ASP A 73 2.611 -6.797 -8.262 1.00 0.00 N ATOM 1023 CA ASP A 73 1.936 -7.676 -7.321 1.00 0.00 C ATOM 1024 C ASP A 73 2.874 -7.980 -6.151 1.00 0.00 C ATOM 1025 O ASP A 73 3.964 -8.515 -6.347 1.00 0.00 O ATOM 1026 CB ASP A 73 1.558 -9.003 -7.981 1.00 0.00 C ATOM 1027 CG ASP A 73 0.530 -9.837 -7.214 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -0.514 -9.255 -6.848 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.813 -11.037 -7.009 1.00 0.00 O ATOM 0 H ASP A 73 2.964 -7.259 -9.100 1.00 0.00 H new ATOM 0 HA ASP A 73 1.032 -7.173 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.166 -8.797 -8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.462 -9.598 -8.110 1.00 0.00 H new ATOM 1034 N LEU A 74 2.416 -7.626 -4.959 1.00 0.00 N ATOM 1035 CA LEU A 74 3.200 -7.855 -3.758 1.00 0.00 C ATOM 1036 C LEU A 74 2.387 -8.702 -2.777 1.00 0.00 C ATOM 1037 O LEU A 74 2.842 -8.984 -1.669 1.00 0.00 O ATOM 1038 CB LEU A 74 3.681 -6.526 -3.171 1.00 0.00 C ATOM 1039 CG LEU A 74 4.229 -5.509 -4.174 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.508 -4.166 -3.496 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.465 -6.057 -4.890 1.00 0.00 C ATOM 0 H LEU A 74 1.512 -7.182 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 74 4.103 -8.418 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.851 -6.067 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.458 -6.736 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 74 3.467 -5.334 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.897 -3.461 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.584 -3.774 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.242 -4.305 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.835 -5.315 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.241 -6.279 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.201 -6.969 -5.426 1.00 0.00 H new ATOM 1053 N SER A 75 1.198 -9.084 -3.219 1.00 0.00 N ATOM 1054 CA SER A 75 0.317 -9.894 -2.394 1.00 0.00 C ATOM 1055 C SER A 75 1.078 -11.101 -1.845 1.00 0.00 C ATOM 1056 O SER A 75 0.877 -11.497 -0.697 1.00 0.00 O ATOM 1057 CB SER A 75 -0.909 -10.354 -3.185 1.00 0.00 C ATOM 1058 OG SER A 75 -1.832 -11.071 -2.369 1.00 0.00 O ATOM 0 H SER A 75 0.824 -8.848 -4.138 1.00 0.00 H new ATOM 0 HA SER A 75 -0.030 -9.282 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.407 -9.487 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.590 -10.987 -4.013 1.00 0.00 H new ATOM 0 HG SER A 75 -2.602 -11.346 -2.910 1.00 0.00 H new ATOM 1064 N ARG A 76 1.937 -11.654 -2.689 1.00 0.00 N ATOM 1065 CA ARG A 76 2.729 -12.808 -2.302 1.00 0.00 C ATOM 1066 C ARG A 76 4.210 -12.432 -2.217 1.00 0.00 C ATOM 1067 O ARG A 76 5.080 -13.297 -2.304 1.00 0.00 O ATOM 1068 CB ARG A 76 2.558 -13.954 -3.302 1.00 0.00 C ATOM 1069 CG ARG A 76 3.156 -13.588 -4.662 1.00 0.00 C ATOM 1070 CD ARG A 76 2.992 -14.737 -5.660 1.00 0.00 C ATOM 1071 NE ARG A 76 3.682 -14.409 -6.927 1.00 0.00 N ATOM 1072 CZ ARG A 76 3.657 -15.185 -8.019 1.00 0.00 C ATOM 1073 NH1 ARG A 76 2.976 -16.339 -8.005 1.00 0.00 N ATOM 1074 NH2 ARG A 76 4.312 -14.807 -9.125 1.00 0.00 N ATOM 0 H ARG A 76 2.101 -11.324 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 76 2.378 -13.138 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.042 -14.852 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.499 -14.186 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.668 -12.693 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.213 -13.350 -4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.402 -15.656 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.934 -14.917 -5.849 1.00 0.00 H new ATOM 0 HE ARG A 76 4.210 -13.537 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.477 -16.626 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.957 -16.930 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.830 -13.928 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.293 -15.398 -9.956 1.00 0.00 H new ATOM 1088 N ALA A 77 4.450 -11.140 -2.047 1.00 0.00 N ATOM 1089 CA ALA A 77 5.810 -10.638 -1.949 1.00 0.00 C ATOM 1090 C ALA A 77 6.176 -10.453 -0.475 1.00 0.00 C ATOM 1091 O ALA A 77 5.318 -10.560 0.399 1.00 0.00 O ATOM 1092 CB ALA A 77 5.934 -9.339 -2.748 1.00 0.00 C ATOM 0 H ALA A 77 3.725 -10.426 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 77 6.514 -11.352 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.954 -8.963 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.692 -9.530 -3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.244 -8.597 -2.346 1.00 0.00 H new ATOM 1098 N THR A 78 7.452 -10.180 -0.245 1.00 0.00 N ATOM 1099 CA THR A 78 7.942 -9.979 1.108 1.00 0.00 C ATOM 1100 C THR A 78 8.250 -8.500 1.350 1.00 0.00 C ATOM 1101 O THR A 78 8.290 -7.709 0.409 1.00 0.00 O ATOM 1102 CB THR A 78 9.151 -10.893 1.313 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.566 -10.626 2.650 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.352 -10.477 0.460 1.00 0.00 C ATOM 0 H THR A 78 8.161 -10.093 -0.973 1.00 0.00 H new ATOM 0 HA THR A 78 7.186 -10.246 1.846 1.00 0.00 H new ATOM 0 HB THR A 78 8.874 -11.920 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.346 -11.179 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.182 -11.159 0.644 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.079 -10.513 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.651 -9.462 0.723 1.00 0.00 H new ATOM 1112 N HIS A 79 8.461 -8.172 2.616 1.00 0.00 N ATOM 1113 CA HIS A 79 8.764 -6.802 2.993 1.00 0.00 C ATOM 1114 C HIS A 79 9.909 -6.273 2.128 1.00 0.00 C ATOM 1115 O HIS A 79 9.876 -5.127 1.680 1.00 0.00 O ATOM 1116 CB HIS A 79 9.059 -6.704 4.492 1.00 0.00 C ATOM 1117 CG HIS A 79 9.327 -5.298 4.974 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.474 -4.261 5.214 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.598 -4.834 5.263 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.185 -3.220 5.629 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.503 -3.573 5.659 1.00 0.00 N flip ATOM 0 H HIS A 79 8.428 -8.831 3.394 1.00 0.00 H new ATOM 0 HA HIS A 79 7.895 -6.170 2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.214 -7.112 5.046 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.923 -7.327 4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.512 -5.403 5.180 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.786 -2.253 5.898 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.279 -2.972 5.937 1.00 0.00 H new ATOM 1129 N ASP A 80 10.895 -7.132 1.918 1.00 0.00 N ATOM 1130 CA ASP A 80 12.049 -6.765 1.113 1.00 0.00 C ATOM 1131 C ASP A 80 11.580 -6.353 -0.284 1.00 0.00 C ATOM 1132 O ASP A 80 11.933 -5.278 -0.768 1.00 0.00 O ATOM 1133 CB ASP A 80 13.011 -7.945 0.960 1.00 0.00 C ATOM 1134 CG ASP A 80 14.444 -7.675 1.423 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.678 -6.551 1.917 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.273 -8.599 1.272 1.00 0.00 O ATOM 0 H ASP A 80 10.919 -8.081 2.291 1.00 0.00 H new ATOM 0 HA ASP A 80 12.562 -5.944 1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.617 -8.791 1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.034 -8.242 -0.088 1.00 0.00 H new ATOM 1141 N GLN A 81 10.794 -7.228 -0.892 1.00 0.00 N ATOM 1142 CA GLN A 81 10.274 -6.968 -2.223 1.00 0.00 C ATOM 1143 C GLN A 81 9.360 -5.741 -2.206 1.00 0.00 C ATOM 1144 O GLN A 81 9.509 -4.840 -3.030 1.00 0.00 O ATOM 1145 CB GLN A 81 9.538 -8.192 -2.773 1.00 0.00 C ATOM 1146 CG GLN A 81 10.518 -9.181 -3.408 1.00 0.00 C ATOM 1147 CD GLN A 81 10.244 -9.339 -4.905 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.944 -8.805 -5.750 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.190 -10.100 -5.185 1.00 0.00 N ATOM 0 H GLN A 81 10.504 -8.118 -0.487 1.00 0.00 H new ATOM 0 HA GLN A 81 11.114 -6.762 -2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.990 -8.683 -1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.803 -7.877 -3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.540 -8.834 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.434 -10.149 -2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.647 -10.517 -4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.925 -10.267 -6.156 1.00 0.00 H new ATOM 1158 N ALA A 82 8.434 -5.746 -1.259 1.00 0.00 N ATOM 1159 CA ALA A 82 7.496 -4.644 -1.124 1.00 0.00 C ATOM 1160 C ALA A 82 8.266 -3.322 -1.124 1.00 0.00 C ATOM 1161 O ALA A 82 7.951 -2.417 -1.895 1.00 0.00 O ATOM 1162 CB ALA A 82 6.664 -4.835 0.146 1.00 0.00 C ATOM 0 H ALA A 82 8.313 -6.495 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 82 6.805 -4.622 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.960 -4.009 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.114 -5.774 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.324 -4.858 1.013 1.00 0.00 H new ATOM 1168 N VAL A 83 9.259 -3.253 -0.250 1.00 0.00 N ATOM 1169 CA VAL A 83 10.076 -2.056 -0.140 1.00 0.00 C ATOM 1170 C VAL A 83 10.652 -1.708 -1.514 1.00 0.00 C ATOM 1171 O VAL A 83 10.467 -0.596 -2.005 1.00 0.00 O ATOM 1172 CB VAL A 83 11.155 -2.256 0.927 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.249 -1.193 0.806 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.544 -2.256 2.330 1.00 0.00 C ATOM 0 H VAL A 83 9.516 -4.006 0.388 1.00 0.00 H new ATOM 0 HA VAL A 83 9.471 -1.209 0.182 1.00 0.00 H new ATOM 0 HB VAL A 83 11.615 -3.230 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.003 -1.358 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.714 -1.260 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.810 -0.203 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.331 -2.400 3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.046 -1.303 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.818 -3.065 2.411 1.00 0.00 H new ATOM 1184 N GLU A 84 11.339 -2.681 -2.096 1.00 0.00 N ATOM 1185 CA GLU A 84 11.942 -2.491 -3.404 1.00 0.00 C ATOM 1186 C GLU A 84 10.911 -1.938 -4.389 1.00 0.00 C ATOM 1187 O GLU A 84 11.189 -0.983 -5.113 1.00 0.00 O ATOM 1188 CB GLU A 84 12.550 -3.796 -3.921 1.00 0.00 C ATOM 1189 CG GLU A 84 13.167 -3.602 -5.308 1.00 0.00 C ATOM 1190 CD GLU A 84 14.410 -4.478 -5.483 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.270 -5.706 -5.296 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.471 -3.899 -5.800 1.00 0.00 O ATOM 0 H GLU A 84 11.491 -3.602 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 84 12.749 -1.765 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.313 -4.147 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.781 -4.567 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.433 -3.849 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.433 -2.554 -5.448 1.00 0.00 H new ATOM 1199 N ALA A 85 9.743 -2.562 -4.386 1.00 0.00 N ATOM 1200 CA ALA A 85 8.669 -2.144 -5.271 1.00 0.00 C ATOM 1201 C ALA A 85 8.399 -0.652 -5.070 1.00 0.00 C ATOM 1202 O ALA A 85 8.465 0.128 -6.018 1.00 0.00 O ATOM 1203 CB ALA A 85 7.429 -3.002 -5.010 1.00 0.00 C ATOM 0 H ALA A 85 9.516 -3.354 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 85 8.952 -2.289 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.623 -2.688 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.666 -4.050 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.114 -2.880 -3.974 1.00 0.00 H new ATOM 1209 N PHE A 86 8.101 -0.300 -3.828 1.00 0.00 N ATOM 1210 CA PHE A 86 7.822 1.086 -3.489 1.00 0.00 C ATOM 1211 C PHE A 86 9.027 1.978 -3.791 1.00 0.00 C ATOM 1212 O PHE A 86 8.874 3.175 -4.027 1.00 0.00 O ATOM 1213 CB PHE A 86 7.533 1.130 -1.988 1.00 0.00 C ATOM 1214 CG PHE A 86 6.077 0.832 -1.625 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.113 1.763 -1.858 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.745 -0.364 -1.069 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.762 1.487 -1.522 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.394 -0.640 -0.732 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.431 0.291 -0.966 1.00 0.00 C ATOM 0 H PHE A 86 8.047 -0.950 -3.044 1.00 0.00 H new ATOM 0 HA PHE A 86 6.979 1.450 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.177 0.410 -1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.797 2.116 -1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.376 2.713 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.510 -1.104 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.997 2.227 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.131 -1.590 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.403 0.081 -0.710 1.00 0.00 H new ATOM 1229 N LYS A 87 10.199 1.360 -3.774 1.00 0.00 N ATOM 1230 CA LYS A 87 11.430 2.084 -4.043 1.00 0.00 C ATOM 1231 C LYS A 87 11.559 2.321 -5.549 1.00 0.00 C ATOM 1232 O LYS A 87 11.778 3.449 -5.987 1.00 0.00 O ATOM 1233 CB LYS A 87 12.627 1.352 -3.431 1.00 0.00 C ATOM 1234 CG LYS A 87 13.407 2.269 -2.487 1.00 0.00 C ATOM 1235 CD LYS A 87 14.856 1.801 -2.341 1.00 0.00 C ATOM 1236 CE LYS A 87 15.360 2.015 -0.913 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.082 0.815 -0.433 1.00 0.00 N ATOM 0 H LYS A 87 10.322 0.367 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 87 11.407 3.064 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.281 0.473 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.285 0.997 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.388 3.290 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.926 2.284 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.929 0.745 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.490 2.346 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.020 2.881 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.520 2.230 -0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.418 0.977 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.441 -0.004 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.895 0.628 -1.054 1.00 0.00 H new ATOM 1251 N THR A 88 11.417 1.239 -6.300 1.00 0.00 N ATOM 1252 CA THR A 88 11.515 1.314 -7.748 1.00 0.00 C ATOM 1253 C THR A 88 10.209 1.843 -8.343 1.00 0.00 C ATOM 1254 O THR A 88 10.118 2.068 -9.549 1.00 0.00 O ATOM 1255 CB THR A 88 11.903 -0.071 -8.269 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.700 -0.828 -8.173 1.00 0.00 O ATOM 1257 CG2 THR A 88 12.875 -0.796 -7.335 1.00 0.00 C ATOM 0 H THR A 88 11.235 0.305 -5.933 1.00 0.00 H new ATOM 0 HA THR A 88 12.286 2.020 -8.056 1.00 0.00 H new ATOM 0 HB THR A 88 12.352 0.026 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.547 -1.082 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.118 -1.774 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.787 -0.208 -7.232 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.413 -0.923 -6.356 1.00 0.00 H new ATOM 1265 N ALA A 89 9.229 2.027 -7.470 1.00 0.00 N ATOM 1266 CA ALA A 89 7.932 2.525 -7.895 1.00 0.00 C ATOM 1267 C ALA A 89 8.059 4.000 -8.281 1.00 0.00 C ATOM 1268 O ALA A 89 8.894 4.719 -7.735 1.00 0.00 O ATOM 1269 CB ALA A 89 6.909 2.301 -6.780 1.00 0.00 C ATOM 0 H ALA A 89 9.307 1.840 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 89 7.582 1.983 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.936 2.675 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.835 1.235 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.226 2.833 -5.883 1.00 0.00 H new ATOM 1275 N LYS A 90 7.218 4.407 -9.221 1.00 0.00 N ATOM 1276 CA LYS A 90 7.225 5.783 -9.687 1.00 0.00 C ATOM 1277 C LYS A 90 5.856 6.414 -9.423 1.00 0.00 C ATOM 1278 O LYS A 90 4.843 5.717 -9.395 1.00 0.00 O ATOM 1279 CB LYS A 90 7.661 5.850 -11.152 1.00 0.00 C ATOM 1280 CG LYS A 90 9.161 6.132 -11.265 1.00 0.00 C ATOM 1281 CD LYS A 90 9.496 7.534 -10.754 1.00 0.00 C ATOM 1282 CE LYS A 90 9.692 8.509 -11.917 1.00 0.00 C ATOM 1283 NZ LYS A 90 10.350 9.749 -11.448 1.00 0.00 N ATOM 0 H LYS A 90 6.527 3.807 -9.672 1.00 0.00 H new ATOM 0 HA LYS A 90 7.958 6.369 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.426 4.909 -11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.101 6.631 -11.667 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.718 5.390 -10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.475 6.035 -12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.694 7.890 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.402 7.498 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.297 8.041 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.728 8.749 -12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.476 10.400 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.759 10.203 -10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.279 9.517 -11.042 1.00 0.00 H new ATOM 1297 N GLU A 91 5.871 7.725 -9.237 1.00 0.00 N ATOM 1298 CA GLU A 91 4.643 8.458 -8.976 1.00 0.00 C ATOM 1299 C GLU A 91 3.999 8.899 -10.292 1.00 0.00 C ATOM 1300 O GLU A 91 4.697 9.242 -11.245 1.00 0.00 O ATOM 1301 CB GLU A 91 4.903 9.658 -8.064 1.00 0.00 C ATOM 1302 CG GLU A 91 5.844 9.281 -6.917 1.00 0.00 C ATOM 1303 CD GLU A 91 7.293 9.637 -7.257 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.477 10.654 -7.960 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.183 8.885 -6.807 1.00 0.00 O ATOM 0 H GLU A 91 6.714 8.299 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 91 3.950 7.794 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.338 10.472 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.959 10.023 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.542 9.801 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.766 8.213 -6.714 1.00 0.00 H new ATOM 1312 N PRO A 92 2.639 8.875 -10.303 1.00 0.00 N ATOM 1313 CA PRO A 92 1.889 8.454 -9.132 1.00 0.00 C ATOM 1314 C PRO A 92 1.949 6.935 -8.958 1.00 0.00 C ATOM 1315 O PRO A 92 1.847 6.191 -9.932 1.00 0.00 O ATOM 1316 CB PRO A 92 0.478 8.970 -9.363 1.00 0.00 C ATOM 1317 CG PRO A 92 0.375 9.252 -10.853 1.00 0.00 C ATOM 1318 CD PRO A 92 1.783 9.245 -11.426 1.00 0.00 C ATOM 0 HA PRO A 92 2.299 8.853 -8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.263 8.233 -9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.292 9.873 -8.781 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.240 8.497 -11.343 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.103 10.216 -11.027 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.874 8.531 -12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.053 10.223 -11.824 1.00 0.00 H new ATOM 1326 N ILE A 93 2.114 6.521 -7.710 1.00 0.00 N ATOM 1327 CA ILE A 93 2.189 5.104 -7.396 1.00 0.00 C ATOM 1328 C ILE A 93 0.786 4.580 -7.084 1.00 0.00 C ATOM 1329 O ILE A 93 0.195 4.945 -6.069 1.00 0.00 O ATOM 1330 CB ILE A 93 3.201 4.857 -6.276 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.585 5.384 -6.661 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.239 3.377 -5.888 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.396 5.755 -5.417 1.00 0.00 C ATOM 0 H ILE A 93 2.198 7.142 -6.905 1.00 0.00 H new ATOM 0 HA ILE A 93 2.555 4.542 -8.255 1.00 0.00 H new ATOM 0 HB ILE A 93 2.878 5.413 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.119 4.627 -7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.479 6.257 -7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.966 3.229 -5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.253 3.066 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.525 2.781 -6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.375 6.127 -5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.871 6.529 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.520 4.874 -4.788 1.00 0.00 H new ATOM 1345 N VAL A 94 0.293 3.733 -7.976 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.029 3.155 -7.808 1.00 0.00 C ATOM 1347 C VAL A 94 -0.934 1.929 -6.898 1.00 0.00 C ATOM 1348 O VAL A 94 -0.369 0.907 -7.285 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.639 2.839 -9.175 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.012 2.181 -9.024 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.727 4.098 -10.040 1.00 0.00 C ATOM 0 H VAL A 94 0.786 3.433 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.698 3.867 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.982 2.131 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.423 1.967 -10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.910 1.252 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.682 2.855 -8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.164 3.846 -11.006 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.352 4.839 -9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.728 4.507 -10.189 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.494 2.071 -5.706 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.480 0.987 -4.738 1.00 0.00 C ATOM 1363 C VAL A 95 -2.913 0.516 -4.485 1.00 0.00 C ATOM 1364 O VAL A 95 -3.857 1.296 -4.601 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.764 1.435 -3.462 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.077 0.298 -2.878 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.095 2.675 -3.722 1.00 0.00 C ATOM 0 H VAL A 95 -1.961 2.920 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.922 0.135 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.524 1.702 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.575 0.642 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.569 -0.546 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.825 -0.013 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.593 2.973 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.843 2.447 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.539 3.490 -4.071 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.031 -0.759 -4.144 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.333 -1.344 -3.874 1.00 0.00 C ATOM 1379 C GLN A 96 -4.291 -2.159 -2.580 1.00 0.00 C ATOM 1380 O GLN A 96 -3.321 -2.871 -2.322 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.803 -2.204 -5.048 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.031 -3.032 -4.665 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.175 -2.806 -5.656 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.140 -2.112 -5.381 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.014 -3.430 -6.820 1.00 0.00 N ATOM 0 H GLN A 96 -2.246 -1.403 -4.049 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.053 -0.535 -3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.042 -1.565 -5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.997 -2.867 -5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.768 -4.090 -4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.357 -2.763 -3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.181 -3.996 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.723 -3.343 -7.548 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.354 -2.028 -1.800 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.450 -2.744 -0.539 1.00 0.00 C ATOM 1396 C VAL A 97 -6.786 -3.488 -0.480 1.00 0.00 C ATOM 1397 O VAL A 97 -7.688 -3.214 -1.271 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.254 -1.775 0.629 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.967 -0.964 0.459 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.465 -0.854 0.787 1.00 0.00 C ATOM 0 H VAL A 97 -6.156 -1.437 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.659 -3.490 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.161 -2.365 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.852 -0.283 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.113 -1.640 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.018 -0.390 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.299 -0.176 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.604 -0.276 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.356 -1.453 0.976 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.870 -4.413 0.464 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.080 -5.199 0.636 1.00 0.00 C ATOM 1412 C LEU A 98 -8.733 -4.836 1.971 1.00 0.00 C ATOM 1413 O LEU A 98 -8.211 -5.172 3.033 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.777 -6.691 0.485 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.384 -7.379 -0.740 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -8.152 -6.550 -2.005 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.856 -8.807 -0.884 1.00 0.00 C ATOM 0 H LEU A 98 -6.120 -4.636 1.118 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.801 -4.964 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.695 -6.820 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.131 -7.205 1.378 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.462 -7.448 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.593 -7.061 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.616 -5.571 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.081 -6.427 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.303 -9.273 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.772 -8.784 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.116 -9.382 0.004 1.00 0.00 H new