USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 156:sc= -0.114 (180deg=-0.758) USER MOD Single : A 1 MET N :NH3+ 170:sc= -2.18! (180deg=-2.62!) USER MOD Single : A 2 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.8!) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0402) USER MOD Single : A 7 THR OG1 : rot 120:sc= -1.25 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -114:sc= 0.711 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 25 ASN : amide:sc= -0.671 K(o=-0.67,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= 0.0533 (180deg=-0.000892) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.19) USER MOD Single : A 41 GLN : amide:sc= -4.09! C(o=-4.1!,f=-8.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.68 K(o=-0.68,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= -0.974 USER MOD Single : A 60 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -0.223 K(o=-0.22,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 149:sc= -3.55! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.382 -5.528 4.322 1.00 0.00 N ATOM 2 CA MET A 1 -12.474 -4.896 5.626 1.00 0.00 C ATOM 3 C MET A 1 -11.659 -3.602 5.668 1.00 0.00 C ATOM 4 O MET A 1 -11.150 -3.152 4.642 1.00 0.00 O ATOM 5 CB MET A 1 -11.957 -5.858 6.698 1.00 0.00 C ATOM 6 CG MET A 1 -10.455 -6.102 6.538 1.00 0.00 C ATOM 7 SD MET A 1 -9.877 -7.211 7.812 1.00 0.00 S ATOM 8 CE MET A 1 -10.668 -8.723 7.289 1.00 0.00 C ATOM 0 H1 MET A 1 -12.798 -6.480 4.367 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.898 -4.957 3.622 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.383 -5.600 4.041 1.00 0.00 H new ATOM 0 HA MET A 1 -13.519 -4.652 5.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.159 -5.448 7.688 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.492 -6.805 6.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.250 -6.526 5.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.916 -5.156 6.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.113 -9.577 7.678 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.689 -8.750 7.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.685 -8.767 6.200 1.00 0.00 H new ATOM 18 N GLN A 2 -11.561 -3.039 6.863 1.00 0.00 N ATOM 19 CA GLN A 2 -10.817 -1.805 7.052 1.00 0.00 C ATOM 20 C GLN A 2 -9.344 -2.110 7.325 1.00 0.00 C ATOM 21 O GLN A 2 -9.019 -3.135 7.923 1.00 0.00 O ATOM 22 CB GLN A 2 -11.422 -0.966 8.179 1.00 0.00 C ATOM 23 CG GLN A 2 -10.629 0.326 8.388 1.00 0.00 C ATOM 24 CD GLN A 2 -11.562 1.493 8.717 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.831 2.357 7.897 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.038 1.472 9.958 1.00 0.00 N ATOM 0 H GLN A 2 -11.985 -3.415 7.711 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.883 -1.220 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.459 -0.726 7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.432 -1.544 9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.911 0.190 9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.056 0.555 7.489 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.773 0.719 10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.669 2.208 10.275 1.00 0.00 H new ATOM 35 N ILE A 3 -8.490 -1.203 6.873 1.00 0.00 N ATOM 36 CA ILE A 3 -7.058 -1.363 7.062 1.00 0.00 C ATOM 37 C ILE A 3 -6.423 0.010 7.292 1.00 0.00 C ATOM 38 O ILE A 3 -7.024 1.037 6.979 1.00 0.00 O ATOM 39 CB ILE A 3 -6.447 -2.134 5.891 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.449 -1.290 4.616 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.154 -3.477 5.691 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.773 -1.435 3.864 1.00 0.00 C ATOM 0 H ILE A 3 -8.762 -0.355 6.376 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.855 -1.962 7.949 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.406 -2.350 6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.283 -0.243 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.625 -1.597 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.701 -4.006 4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.055 -4.078 6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.210 -3.305 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.748 -0.824 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.924 -2.479 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.592 -1.105 4.503 1.00 0.00 H new ATOM 54 N PHE A 4 -5.215 -0.017 7.836 1.00 0.00 N ATOM 55 CA PHE A 4 -4.491 1.213 8.112 1.00 0.00 C ATOM 56 C PHE A 4 -3.178 1.263 7.330 1.00 0.00 C ATOM 57 O PHE A 4 -2.250 0.509 7.618 1.00 0.00 O ATOM 58 CB PHE A 4 -4.179 1.222 9.610 1.00 0.00 C ATOM 59 CG PHE A 4 -5.398 1.483 10.498 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.479 0.661 10.428 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.401 2.538 11.357 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.610 0.903 11.252 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.531 2.780 12.180 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.612 1.957 12.111 1.00 0.00 C ATOM 0 H PHE A 4 -4.719 -0.871 8.093 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.092 2.073 7.816 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.741 0.263 9.885 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.427 1.985 9.809 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.477 -0.176 9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.543 3.191 11.412 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.468 0.250 11.196 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.533 3.618 12.861 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.472 2.141 12.738 1.00 0.00 H new ATOM 74 N VAL A 5 -3.141 2.160 6.355 1.00 0.00 N ATOM 75 CA VAL A 5 -1.956 2.318 5.529 1.00 0.00 C ATOM 76 C VAL A 5 -1.183 3.557 5.985 1.00 0.00 C ATOM 77 O VAL A 5 -1.781 4.582 6.307 1.00 0.00 O ATOM 78 CB VAL A 5 -2.352 2.371 4.052 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.893 3.752 3.678 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.174 1.983 3.154 1.00 0.00 C ATOM 0 H VAL A 5 -3.912 2.784 6.119 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.293 1.461 5.644 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.149 1.645 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.167 3.762 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.772 3.975 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.126 4.505 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.482 2.029 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.348 2.674 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.853 0.969 3.393 1.00 0.00 H new ATOM 90 N LYS A 6 0.135 3.421 5.998 1.00 0.00 N ATOM 91 CA LYS A 6 0.996 4.518 6.410 1.00 0.00 C ATOM 92 C LYS A 6 1.703 5.094 5.181 1.00 0.00 C ATOM 93 O LYS A 6 2.041 4.360 4.254 1.00 0.00 O ATOM 94 CB LYS A 6 1.953 4.061 7.512 1.00 0.00 C ATOM 95 CG LYS A 6 1.361 4.326 8.897 1.00 0.00 C ATOM 96 CD LYS A 6 1.645 3.162 9.848 1.00 0.00 C ATOM 97 CE LYS A 6 2.974 3.362 10.579 1.00 0.00 C ATOM 98 NZ LYS A 6 2.821 4.351 11.669 1.00 0.00 N ATOM 0 H LYS A 6 0.628 2.569 5.730 1.00 0.00 H new ATOM 0 HA LYS A 6 0.406 5.324 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.162 2.997 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.904 4.584 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.781 5.245 9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.285 4.477 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.836 3.075 10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.672 2.228 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.318 2.412 10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.735 3.701 9.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.670 4.340 12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.697 5.300 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.988 4.109 12.243 1.00 0.00 H new ATOM 112 N THR A 7 1.904 6.403 5.214 1.00 0.00 N ATOM 113 CA THR A 7 2.565 7.087 4.115 1.00 0.00 C ATOM 114 C THR A 7 4.034 7.342 4.453 1.00 0.00 C ATOM 115 O THR A 7 4.470 7.094 5.576 1.00 0.00 O ATOM 116 CB THR A 7 1.779 8.365 3.814 1.00 0.00 C ATOM 117 OG1 THR A 7 1.640 8.995 5.084 1.00 0.00 O ATOM 118 CG2 THR A 7 0.340 8.079 3.380 1.00 0.00 C ATOM 0 H THR A 7 1.621 7.008 5.984 1.00 0.00 H new ATOM 0 HA THR A 7 2.574 6.474 3.214 1.00 0.00 H new ATOM 0 HB THR A 7 2.289 8.928 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.062 9.879 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.173 9.019 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.347 7.469 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.180 7.545 4.175 1.00 0.00 H new ATOM 126 N LEU A 8 4.759 7.836 3.459 1.00 0.00 N ATOM 127 CA LEU A 8 6.171 8.129 3.637 1.00 0.00 C ATOM 128 C LEU A 8 6.330 9.257 4.657 1.00 0.00 C ATOM 129 O LEU A 8 7.442 9.551 5.095 1.00 0.00 O ATOM 130 CB LEU A 8 6.832 8.422 2.288 1.00 0.00 C ATOM 131 CG LEU A 8 8.345 8.209 2.221 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.692 6.719 2.262 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.943 8.903 0.996 1.00 0.00 C ATOM 0 H LEU A 8 4.395 8.040 2.528 1.00 0.00 H new ATOM 0 HA LEU A 8 6.692 7.260 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.363 7.792 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.619 9.456 2.019 1.00 0.00 H new ATOM 0 HG LEU A 8 8.793 8.668 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.774 6.596 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.319 6.284 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.231 6.214 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.020 8.736 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.493 8.495 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.743 9.973 1.050 1.00 0.00 H new ATOM 145 N THR A 9 5.202 9.859 5.007 1.00 0.00 N ATOM 146 CA THR A 9 5.202 10.949 5.968 1.00 0.00 C ATOM 147 C THR A 9 4.806 10.437 7.354 1.00 0.00 C ATOM 148 O THR A 9 4.357 11.209 8.200 1.00 0.00 O ATOM 149 CB THR A 9 4.278 12.047 5.438 1.00 0.00 C ATOM 150 OG1 THR A 9 4.766 12.307 4.124 1.00 0.00 O ATOM 151 CG2 THR A 9 4.463 13.374 6.175 1.00 0.00 C ATOM 0 H THR A 9 4.282 9.612 4.642 1.00 0.00 H new ATOM 0 HA THR A 9 6.199 11.373 6.086 1.00 0.00 H new ATOM 0 HB THR A 9 3.241 11.724 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.222 13.007 3.706 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.784 14.119 5.760 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.246 13.235 7.234 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.491 13.715 6.057 1.00 0.00 H new ATOM 159 N GLY A 10 4.987 9.139 7.544 1.00 0.00 N ATOM 160 CA GLY A 10 4.653 8.514 8.814 1.00 0.00 C ATOM 161 C GLY A 10 3.208 8.820 9.212 1.00 0.00 C ATOM 162 O GLY A 10 2.837 8.675 10.375 1.00 0.00 O ATOM 0 H GLY A 10 5.361 8.502 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.793 7.436 8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.331 8.872 9.589 1.00 0.00 H new ATOM 166 N LYS A 11 2.431 9.238 8.223 1.00 0.00 N ATOM 167 CA LYS A 11 1.035 9.566 8.456 1.00 0.00 C ATOM 168 C LYS A 11 0.198 8.287 8.392 1.00 0.00 C ATOM 169 O LYS A 11 0.515 7.370 7.634 1.00 0.00 O ATOM 170 CB LYS A 11 0.570 10.653 7.485 1.00 0.00 C ATOM 171 CG LYS A 11 -0.799 11.202 7.890 1.00 0.00 C ATOM 172 CD LYS A 11 -0.685 12.640 8.400 1.00 0.00 C ATOM 173 CE LYS A 11 -1.002 13.642 7.286 1.00 0.00 C ATOM 174 NZ LYS A 11 0.247 14.194 6.716 1.00 0.00 N ATOM 0 H LYS A 11 2.742 9.357 7.259 1.00 0.00 H new ATOM 0 HA LYS A 11 0.904 9.985 9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.299 11.463 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.518 10.245 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.475 11.168 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.233 10.571 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.370 12.789 9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.322 12.817 8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.581 13.153 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.618 14.451 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.015 14.872 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.785 14.678 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.820 13.421 6.322 1.00 0.00 H new ATOM 188 N THR A 12 -0.855 8.265 9.197 1.00 0.00 N ATOM 189 CA THR A 12 -1.739 7.112 9.241 1.00 0.00 C ATOM 190 C THR A 12 -3.031 7.403 8.475 1.00 0.00 C ATOM 191 O THR A 12 -3.746 8.353 8.792 1.00 0.00 O ATOM 192 CB THR A 12 -1.972 6.751 10.710 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.744 6.156 11.120 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.004 5.635 10.882 1.00 0.00 C ATOM 0 H THR A 12 -1.116 9.027 9.823 1.00 0.00 H new ATOM 0 HA THR A 12 -1.291 6.250 8.747 1.00 0.00 H new ATOM 0 HB THR A 12 -2.302 7.636 11.254 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.806 5.893 12.062 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.132 5.418 11.942 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.957 5.953 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.660 4.738 10.367 1.00 0.00 H new ATOM 202 N ILE A 13 -3.291 6.567 7.480 1.00 0.00 N ATOM 203 CA ILE A 13 -4.484 6.722 6.665 1.00 0.00 C ATOM 204 C ILE A 13 -5.278 5.414 6.677 1.00 0.00 C ATOM 205 O ILE A 13 -4.779 4.376 6.244 1.00 0.00 O ATOM 206 CB ILE A 13 -4.116 7.204 5.261 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.546 8.624 5.301 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.310 7.094 4.313 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.053 8.605 5.638 1.00 0.00 C ATOM 0 H ILE A 13 -2.696 5.780 7.220 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.132 7.493 7.082 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.334 6.553 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.699 9.109 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.083 9.215 6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.021 7.443 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.632 6.054 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.130 7.706 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.672 9.626 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.906 8.142 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.516 8.034 4.880 1.00 0.00 H new ATOM 221 N THR A 14 -6.502 5.506 7.178 1.00 0.00 N ATOM 222 CA THR A 14 -7.370 4.342 7.253 1.00 0.00 C ATOM 223 C THR A 14 -8.299 4.292 6.038 1.00 0.00 C ATOM 224 O THR A 14 -8.754 5.329 5.558 1.00 0.00 O ATOM 225 CB THR A 14 -8.115 4.393 8.587 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.102 4.706 9.539 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.626 3.019 9.025 1.00 0.00 C ATOM 0 H THR A 14 -6.913 6.368 7.536 1.00 0.00 H new ATOM 0 HA THR A 14 -6.795 3.416 7.222 1.00 0.00 H new ATOM 0 HB THR A 14 -8.954 5.084 8.508 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.981 3.948 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.147 3.111 9.978 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.311 2.629 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.784 2.336 9.137 1.00 0.00 H new ATOM 235 N LEU A 15 -8.553 3.076 5.578 1.00 0.00 N ATOM 236 CA LEU A 15 -9.420 2.878 4.429 1.00 0.00 C ATOM 237 C LEU A 15 -10.340 1.684 4.691 1.00 0.00 C ATOM 238 O LEU A 15 -9.871 0.589 4.999 1.00 0.00 O ATOM 239 CB LEU A 15 -8.593 2.747 3.149 1.00 0.00 C ATOM 240 CG LEU A 15 -9.264 3.235 1.863 1.00 0.00 C ATOM 241 CD1 LEU A 15 -8.825 4.661 1.523 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.007 2.265 0.709 1.00 0.00 C ATOM 0 H LEU A 15 -8.174 2.218 5.980 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.059 3.748 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.663 3.300 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.324 1.699 3.020 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.341 3.261 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.316 4.984 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.102 5.331 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.744 4.686 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.495 2.635 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.934 2.184 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.409 1.284 0.962 1.00 0.00 H new ATOM 254 N GLU A 16 -11.635 1.935 4.559 1.00 0.00 N ATOM 255 CA GLU A 16 -12.625 0.894 4.777 1.00 0.00 C ATOM 256 C GLU A 16 -13.019 0.249 3.447 1.00 0.00 C ATOM 257 O GLU A 16 -13.602 0.904 2.583 1.00 0.00 O ATOM 258 CB GLU A 16 -13.853 1.449 5.502 1.00 0.00 C ATOM 259 CG GLU A 16 -14.506 2.571 4.694 1.00 0.00 C ATOM 260 CD GLU A 16 -14.690 3.828 5.549 1.00 0.00 C ATOM 261 OE1 GLU A 16 -13.668 4.294 6.097 1.00 0.00 O ATOM 262 OE2 GLU A 16 -15.847 4.292 5.634 1.00 0.00 O ATOM 0 H GLU A 16 -12.021 2.844 4.304 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.183 0.127 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.574 0.649 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.562 1.825 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.890 2.805 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.473 2.238 4.318 1.00 0.00 H new ATOM 269 N VAL A 17 -12.686 -1.027 3.323 1.00 0.00 N ATOM 270 CA VAL A 17 -12.998 -1.769 2.113 1.00 0.00 C ATOM 271 C VAL A 17 -13.485 -3.170 2.489 1.00 0.00 C ATOM 272 O VAL A 17 -13.635 -3.482 3.668 1.00 0.00 O ATOM 273 CB VAL A 17 -11.782 -1.788 1.184 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.355 -0.367 0.811 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.623 -2.562 1.814 1.00 0.00 C ATOM 0 H VAL A 17 -12.203 -1.567 4.041 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.804 -1.282 1.563 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.069 -2.303 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.489 -0.409 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.176 0.138 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.095 0.184 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.772 -2.560 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.337 -2.089 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.933 -3.589 2.005 1.00 0.00 H new ATOM 285 N GLU A 18 -13.719 -3.975 1.463 1.00 0.00 N ATOM 286 CA GLU A 18 -14.186 -5.335 1.671 1.00 0.00 C ATOM 287 C GLU A 18 -13.065 -6.332 1.374 1.00 0.00 C ATOM 288 O GLU A 18 -12.110 -6.007 0.671 1.00 0.00 O ATOM 289 CB GLU A 18 -15.421 -5.627 0.817 1.00 0.00 C ATOM 290 CG GLU A 18 -16.706 -5.390 1.612 1.00 0.00 C ATOM 291 CD GLU A 18 -17.910 -5.245 0.678 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.289 -6.274 0.078 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.424 -4.110 0.587 1.00 0.00 O ATOM 0 H GLU A 18 -13.594 -3.712 0.486 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.474 -5.444 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.414 -4.991 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.390 -6.659 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.872 -6.220 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.602 -4.491 2.219 1.00 0.00 H new ATOM 300 N PRO A 19 -13.223 -7.560 1.938 1.00 0.00 N ATOM 301 CA PRO A 19 -12.236 -8.608 1.740 1.00 0.00 C ATOM 302 C PRO A 19 -12.342 -9.202 0.334 1.00 0.00 C ATOM 303 O PRO A 19 -11.445 -9.919 -0.110 1.00 0.00 O ATOM 304 CB PRO A 19 -12.515 -9.622 2.837 1.00 0.00 C ATOM 305 CG PRO A 19 -13.928 -9.340 3.317 1.00 0.00 C ATOM 306 CD PRO A 19 -14.341 -7.981 2.776 1.00 0.00 C ATOM 0 HA PRO A 19 -11.212 -8.241 1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.427 -10.640 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.799 -9.522 3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.612 -10.114 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.970 -9.346 4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.264 -8.048 2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.520 -7.271 3.584 1.00 0.00 H new ATOM 314 N SER A 20 -13.445 -8.884 -0.327 1.00 0.00 N ATOM 315 CA SER A 20 -13.679 -9.378 -1.673 1.00 0.00 C ATOM 316 C SER A 20 -13.088 -8.406 -2.697 1.00 0.00 C ATOM 317 O SER A 20 -12.768 -8.800 -3.818 1.00 0.00 O ATOM 318 CB SER A 20 -15.173 -9.579 -1.933 1.00 0.00 C ATOM 319 OG SER A 20 -15.418 -10.186 -3.200 1.00 0.00 O ATOM 0 H SER A 20 -14.187 -8.290 0.044 1.00 0.00 H new ATOM 0 HA SER A 20 -13.187 -10.345 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.598 -10.201 -1.145 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.682 -8.616 -1.888 1.00 0.00 H new ATOM 0 HG SER A 20 -16.383 -10.299 -3.328 1.00 0.00 H new ATOM 325 N ASP A 21 -12.962 -7.157 -2.276 1.00 0.00 N ATOM 326 CA ASP A 21 -12.415 -6.127 -3.142 1.00 0.00 C ATOM 327 C ASP A 21 -10.944 -6.435 -3.428 1.00 0.00 C ATOM 328 O ASP A 21 -10.230 -6.934 -2.559 1.00 0.00 O ATOM 329 CB ASP A 21 -12.489 -4.751 -2.476 1.00 0.00 C ATOM 330 CG ASP A 21 -13.835 -4.416 -1.832 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.818 -5.108 -2.177 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.852 -3.476 -1.008 1.00 0.00 O ATOM 0 H ASP A 21 -13.229 -6.834 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.000 -6.115 -4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.713 -4.691 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.261 -3.990 -3.222 1.00 0.00 H new ATOM 337 N THR A 22 -10.534 -6.124 -4.649 1.00 0.00 N ATOM 338 CA THR A 22 -9.161 -6.361 -5.060 1.00 0.00 C ATOM 339 C THR A 22 -8.272 -5.183 -4.659 1.00 0.00 C ATOM 340 O THR A 22 -8.770 -4.149 -4.215 1.00 0.00 O ATOM 341 CB THR A 22 -9.159 -6.640 -6.565 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.127 -5.734 -7.086 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.719 -8.021 -6.905 1.00 0.00 C ATOM 0 H THR A 22 -11.129 -5.710 -5.367 1.00 0.00 H new ATOM 0 HA THR A 22 -8.742 -7.230 -4.553 1.00 0.00 H new ATOM 0 HB THR A 22 -8.142 -6.557 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.190 -5.845 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.695 -8.168 -7.985 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.114 -8.788 -6.421 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.748 -8.093 -6.552 1.00 0.00 H new ATOM 351 N ILE A 23 -6.973 -5.377 -4.829 1.00 0.00 N ATOM 352 CA ILE A 23 -6.011 -4.343 -4.490 1.00 0.00 C ATOM 353 C ILE A 23 -6.332 -3.073 -5.281 1.00 0.00 C ATOM 354 O ILE A 23 -6.546 -2.012 -4.699 1.00 0.00 O ATOM 355 CB ILE A 23 -4.583 -4.850 -4.697 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.264 -6.000 -3.738 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.572 -3.709 -4.578 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.328 -5.532 -2.283 1.00 0.00 C ATOM 0 H ILE A 23 -6.564 -6.236 -5.197 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.085 -4.088 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.506 -5.244 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.971 -6.815 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.271 -6.394 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.565 -4.098 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.786 -2.953 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.643 -3.262 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.098 -6.367 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.603 -4.734 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.329 -5.161 -2.064 1.00 0.00 H new ATOM 370 N GLU A 24 -6.357 -3.225 -6.598 1.00 0.00 N ATOM 371 CA GLU A 24 -6.649 -2.105 -7.475 1.00 0.00 C ATOM 372 C GLU A 24 -7.894 -1.359 -6.988 1.00 0.00 C ATOM 373 O GLU A 24 -7.964 -0.135 -7.082 1.00 0.00 O ATOM 374 CB GLU A 24 -6.821 -2.572 -8.922 1.00 0.00 C ATOM 375 CG GLU A 24 -6.465 -1.454 -9.905 1.00 0.00 C ATOM 376 CD GLU A 24 -7.680 -1.055 -10.746 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.572 -0.390 -10.175 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.690 -1.426 -11.939 1.00 0.00 O ATOM 0 H GLU A 24 -6.180 -4.107 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.804 -1.418 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.186 -3.439 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.851 -2.890 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.097 -0.587 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.658 -1.784 -10.559 1.00 0.00 H new ATOM 385 N ASN A 25 -8.844 -2.130 -6.480 1.00 0.00 N ATOM 386 CA ASN A 25 -10.082 -1.558 -5.978 1.00 0.00 C ATOM 387 C ASN A 25 -9.779 -0.691 -4.755 1.00 0.00 C ATOM 388 O ASN A 25 -10.299 0.416 -4.630 1.00 0.00 O ATOM 389 CB ASN A 25 -11.061 -2.653 -5.550 1.00 0.00 C ATOM 390 CG ASN A 25 -12.376 -2.546 -6.326 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.437 -2.018 -7.424 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.420 -3.077 -5.696 1.00 0.00 N ATOM 0 H ASN A 25 -8.782 -3.145 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.529 -0.967 -6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.613 -3.632 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.258 -2.573 -4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.342 -3.058 -6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.298 -3.504 -4.778 1.00 0.00 H new ATOM 399 N VAL A 26 -8.938 -1.228 -3.882 1.00 0.00 N ATOM 400 CA VAL A 26 -8.560 -0.516 -2.672 1.00 0.00 C ATOM 401 C VAL A 26 -7.818 0.766 -3.052 1.00 0.00 C ATOM 402 O VAL A 26 -8.137 1.844 -2.550 1.00 0.00 O ATOM 403 CB VAL A 26 -7.741 -1.433 -1.761 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.658 -0.864 -0.343 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.317 -2.851 -1.749 1.00 0.00 C ATOM 0 H VAL A 26 -8.508 -2.147 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.445 -0.224 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.729 -1.486 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.071 -1.535 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.182 0.116 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.662 -0.768 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.716 -3.482 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.344 -2.823 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.301 -3.259 -2.760 1.00 0.00 H new ATOM 415 N LYS A 27 -6.842 0.609 -3.934 1.00 0.00 N ATOM 416 CA LYS A 27 -6.052 1.742 -4.386 1.00 0.00 C ATOM 417 C LYS A 27 -6.974 2.773 -5.038 1.00 0.00 C ATOM 418 O LYS A 27 -6.787 3.977 -4.865 1.00 0.00 O ATOM 419 CB LYS A 27 -4.913 1.272 -5.293 1.00 0.00 C ATOM 420 CG LYS A 27 -3.604 1.145 -4.510 1.00 0.00 C ATOM 421 CD LYS A 27 -3.027 -0.267 -4.635 1.00 0.00 C ATOM 422 CE LYS A 27 -1.524 -0.221 -4.918 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.276 0.032 -6.355 1.00 0.00 N ATOM 0 H LYS A 27 -6.580 -0.286 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.572 2.235 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.170 0.310 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.783 1.977 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.881 1.872 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.780 1.379 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.211 -0.822 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.536 -0.802 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.059 0.562 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.063 -1.164 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.752 -0.768 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.184 0.139 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.718 0.903 -6.463 1.00 0.00 H new ATOM 437 N ALA A 28 -7.949 2.264 -5.777 1.00 0.00 N ATOM 438 CA ALA A 28 -8.900 3.125 -6.458 1.00 0.00 C ATOM 439 C ALA A 28 -9.654 3.963 -5.422 1.00 0.00 C ATOM 440 O ALA A 28 -9.889 5.152 -5.632 1.00 0.00 O ATOM 441 CB ALA A 28 -9.839 2.274 -7.314 1.00 0.00 C ATOM 0 H ALA A 28 -8.101 1.265 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.384 3.813 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.552 2.921 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.258 1.721 -8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.377 1.573 -6.676 1.00 0.00 H new ATOM 447 N LYS A 29 -10.013 3.309 -4.328 1.00 0.00 N ATOM 448 CA LYS A 29 -10.736 3.978 -3.259 1.00 0.00 C ATOM 449 C LYS A 29 -9.855 5.076 -2.663 1.00 0.00 C ATOM 450 O LYS A 29 -10.333 6.171 -2.372 1.00 0.00 O ATOM 451 CB LYS A 29 -11.233 2.961 -2.230 1.00 0.00 C ATOM 452 CG LYS A 29 -12.719 2.659 -2.430 1.00 0.00 C ATOM 453 CD LYS A 29 -13.266 1.807 -1.282 1.00 0.00 C ATOM 454 CE LYS A 29 -14.740 2.122 -1.019 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.501 0.876 -0.776 1.00 0.00 N ATOM 0 H LYS A 29 -9.817 2.323 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.630 4.464 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.656 2.040 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.069 3.347 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.278 3.593 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.863 2.137 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.154 0.750 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.684 1.991 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.828 2.783 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.162 2.653 -1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.499 1.108 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.431 0.258 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.108 0.385 0.052 1.00 0.00 H new ATOM 469 N ILE A 30 -8.582 4.746 -2.499 1.00 0.00 N ATOM 470 CA ILE A 30 -7.629 5.691 -1.943 1.00 0.00 C ATOM 471 C ILE A 30 -7.514 6.900 -2.873 1.00 0.00 C ATOM 472 O ILE A 30 -7.335 8.027 -2.412 1.00 0.00 O ATOM 473 CB ILE A 30 -6.292 5.001 -1.662 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.488 3.761 -0.788 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.288 5.980 -1.050 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.419 2.708 -1.083 1.00 0.00 C ATOM 0 H ILE A 30 -8.189 3.837 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.978 6.062 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.876 4.664 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.445 4.043 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.477 3.339 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.347 5.464 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.117 6.805 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.684 6.369 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.581 1.837 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.480 2.411 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.432 3.125 -0.881 1.00 0.00 H new ATOM 488 N GLN A 31 -7.620 6.624 -4.164 1.00 0.00 N ATOM 489 CA GLN A 31 -7.529 7.676 -5.163 1.00 0.00 C ATOM 490 C GLN A 31 -8.708 8.642 -5.025 1.00 0.00 C ATOM 491 O GLN A 31 -8.517 9.822 -4.735 1.00 0.00 O ATOM 492 CB GLN A 31 -7.466 7.087 -6.574 1.00 0.00 C ATOM 493 CG GLN A 31 -7.210 8.181 -7.613 1.00 0.00 C ATOM 494 CD GLN A 31 -7.981 7.901 -8.905 1.00 0.00 C ATOM 495 OE1 GLN A 31 -9.028 7.273 -8.909 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.408 8.401 -9.996 1.00 0.00 N ATOM 0 H GLN A 31 -7.768 5.688 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.607 8.232 -4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.674 6.339 -6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.402 6.576 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.509 9.148 -7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.143 8.241 -7.828 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.531 8.917 -9.921 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.845 8.269 -10.908 1.00 0.00 H new ATOM 505 N ASP A 32 -9.900 8.106 -5.239 1.00 0.00 N ATOM 506 CA ASP A 32 -11.110 8.905 -5.142 1.00 0.00 C ATOM 507 C ASP A 32 -11.106 9.668 -3.816 1.00 0.00 C ATOM 508 O ASP A 32 -11.678 10.752 -3.717 1.00 0.00 O ATOM 509 CB ASP A 32 -12.358 8.022 -5.178 1.00 0.00 C ATOM 510 CG ASP A 32 -13.459 8.498 -6.128 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.358 8.160 -7.327 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.377 9.187 -5.633 1.00 0.00 O ATOM 0 H ASP A 32 -10.054 7.127 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.131 9.591 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.063 7.013 -5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.770 7.960 -4.171 1.00 0.00 H new ATOM 517 N LYS A 33 -10.455 9.070 -2.828 1.00 0.00 N ATOM 518 CA LYS A 33 -10.371 9.679 -1.512 1.00 0.00 C ATOM 519 C LYS A 33 -9.353 10.820 -1.547 1.00 0.00 C ATOM 520 O LYS A 33 -9.728 11.991 -1.579 1.00 0.00 O ATOM 521 CB LYS A 33 -10.071 8.619 -0.450 1.00 0.00 C ATOM 522 CG LYS A 33 -11.311 8.322 0.395 1.00 0.00 C ATOM 523 CD LYS A 33 -11.160 6.997 1.144 1.00 0.00 C ATOM 524 CE LYS A 33 -11.212 7.213 2.658 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.883 6.072 3.321 1.00 0.00 N ATOM 0 H LYS A 33 -9.981 8.171 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.330 10.116 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.727 7.704 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.262 8.963 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.472 9.131 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.192 8.283 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.954 6.313 0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.215 6.527 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.201 7.326 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.746 8.137 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.910 6.234 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.854 5.982 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.357 5.197 3.122 1.00 0.00 H new ATOM 539 N GLU A 34 -8.084 10.439 -1.539 1.00 0.00 N ATOM 540 CA GLU A 34 -7.009 11.416 -1.570 1.00 0.00 C ATOM 541 C GLU A 34 -6.804 11.935 -2.995 1.00 0.00 C ATOM 542 O GLU A 34 -6.902 13.136 -3.242 1.00 0.00 O ATOM 543 CB GLU A 34 -5.714 10.824 -1.011 1.00 0.00 C ATOM 544 CG GLU A 34 -5.429 11.358 0.395 1.00 0.00 C ATOM 545 CD GLU A 34 -5.269 12.880 0.381 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.213 13.335 -0.107 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.208 13.554 0.859 1.00 0.00 O ATOM 0 H GLU A 34 -7.776 9.467 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.290 12.256 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.789 9.737 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.883 11.069 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.242 11.080 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.522 10.897 0.786 1.00 0.00 H new ATOM 554 N GLY A 35 -6.523 11.004 -3.895 1.00 0.00 N ATOM 555 CA GLY A 35 -6.304 11.353 -5.288 1.00 0.00 C ATOM 556 C GLY A 35 -4.917 10.904 -5.753 1.00 0.00 C ATOM 557 O GLY A 35 -4.387 11.427 -6.733 1.00 0.00 O ATOM 0 H GLY A 35 -6.442 10.009 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.069 10.886 -5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.404 12.431 -5.417 1.00 0.00 H new ATOM 561 N ILE A 36 -4.368 9.939 -5.029 1.00 0.00 N ATOM 562 CA ILE A 36 -3.053 9.415 -5.355 1.00 0.00 C ATOM 563 C ILE A 36 -3.202 8.254 -6.341 1.00 0.00 C ATOM 564 O ILE A 36 -4.093 7.419 -6.193 1.00 0.00 O ATOM 565 CB ILE A 36 -2.293 9.044 -4.080 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.564 10.261 -3.504 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.342 7.873 -4.330 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.046 9.972 -2.093 1.00 0.00 C ATOM 0 H ILE A 36 -4.810 9.507 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.450 10.178 -5.848 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.017 8.717 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.731 10.531 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.239 11.116 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.814 7.630 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.912 7.005 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.620 8.148 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.532 10.852 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.884 9.726 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.352 9.132 -2.125 1.00 0.00 H new ATOM 580 N PRO A 37 -2.292 8.238 -7.352 1.00 0.00 N ATOM 581 CA PRO A 37 -2.313 7.193 -8.362 1.00 0.00 C ATOM 582 C PRO A 37 -1.768 5.878 -7.802 1.00 0.00 C ATOM 583 O PRO A 37 -0.937 5.882 -6.895 1.00 0.00 O ATOM 584 CB PRO A 37 -1.483 7.740 -9.511 1.00 0.00 C ATOM 585 CG PRO A 37 -0.647 8.865 -8.922 1.00 0.00 C ATOM 586 CD PRO A 37 -1.222 9.210 -7.559 1.00 0.00 C ATOM 0 HA PRO A 37 -3.322 6.952 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.848 6.964 -9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.122 8.107 -10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.395 8.558 -8.830 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.666 9.737 -9.576 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.464 9.137 -6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.604 10.231 -7.537 1.00 0.00 H new ATOM 594 N PRO A 38 -2.268 4.754 -8.382 1.00 0.00 N ATOM 595 CA PRO A 38 -1.840 3.434 -7.951 1.00 0.00 C ATOM 596 C PRO A 38 -0.436 3.117 -8.470 1.00 0.00 C ATOM 597 O PRO A 38 0.322 2.398 -7.821 1.00 0.00 O ATOM 598 CB PRO A 38 -2.899 2.484 -8.484 1.00 0.00 C ATOM 599 CG PRO A 38 -3.626 3.243 -9.581 1.00 0.00 C ATOM 600 CD PRO A 38 -3.252 4.711 -9.460 1.00 0.00 C ATOM 0 HA PRO A 38 -1.759 3.351 -6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.445 1.573 -8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.588 2.184 -7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.346 2.858 -10.561 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.704 3.115 -9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.835 5.092 -10.392 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.123 5.324 -9.226 1.00 0.00 H new ATOM 608 N ASP A 39 -0.131 3.671 -9.635 1.00 0.00 N ATOM 609 CA ASP A 39 1.168 3.456 -10.247 1.00 0.00 C ATOM 610 C ASP A 39 2.244 4.151 -9.410 1.00 0.00 C ATOM 611 O ASP A 39 3.409 3.757 -9.439 1.00 0.00 O ATOM 612 CB ASP A 39 1.216 4.045 -11.659 1.00 0.00 C ATOM 613 CG ASP A 39 0.231 3.424 -12.652 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.123 2.244 -12.437 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.145 4.142 -13.602 1.00 0.00 O ATOM 0 H ASP A 39 -0.761 4.268 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 39 1.342 2.381 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.020 5.115 -11.597 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.226 3.928 -12.051 1.00 0.00 H new ATOM 620 N GLN A 40 1.815 5.171 -8.683 1.00 0.00 N ATOM 621 CA GLN A 40 2.727 5.925 -7.838 1.00 0.00 C ATOM 622 C GLN A 40 2.721 5.361 -6.416 1.00 0.00 C ATOM 623 O GLN A 40 3.771 5.239 -5.788 1.00 0.00 O ATOM 624 CB GLN A 40 2.372 7.413 -7.839 1.00 0.00 C ATOM 625 CG GLN A 40 3.482 8.241 -7.190 1.00 0.00 C ATOM 626 CD GLN A 40 4.730 8.277 -8.074 1.00 0.00 C ATOM 627 OE1 GLN A 40 5.828 7.945 -7.657 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.502 8.696 -9.315 1.00 0.00 N ATOM 0 H GLN A 40 0.848 5.494 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 40 3.734 5.825 -8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.212 7.752 -8.863 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.436 7.568 -7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.127 9.257 -7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.734 7.819 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.558 8.959 -9.599 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.271 8.755 -9.983 1.00 0.00 H new ATOM 637 N GLN A 41 1.525 5.031 -5.950 1.00 0.00 N ATOM 638 CA GLN A 41 1.369 4.482 -4.613 1.00 0.00 C ATOM 639 C GLN A 41 1.650 2.979 -4.620 1.00 0.00 C ATOM 640 O GLN A 41 1.217 2.267 -5.525 1.00 0.00 O ATOM 641 CB GLN A 41 -0.026 4.777 -4.059 1.00 0.00 C ATOM 642 CG GLN A 41 -0.917 3.535 -4.130 1.00 0.00 C ATOM 643 CD GLN A 41 -2.329 3.844 -3.629 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.658 3.663 -2.467 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.143 4.319 -4.566 1.00 0.00 N ATOM 0 H GLN A 41 0.656 5.133 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 41 2.094 4.964 -3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.053 5.114 -3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.482 5.589 -4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.963 3.174 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.481 2.736 -3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.804 4.446 -5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.107 4.556 -4.332 1.00 0.00 H new ATOM 654 N ARG A 42 2.375 2.540 -3.601 1.00 0.00 N ATOM 655 CA ARG A 42 2.719 1.133 -3.478 1.00 0.00 C ATOM 656 C ARG A 42 2.469 0.648 -2.048 1.00 0.00 C ATOM 657 O ARG A 42 3.138 1.087 -1.115 1.00 0.00 O ATOM 658 CB ARG A 42 4.184 0.891 -3.843 1.00 0.00 C ATOM 659 CG ARG A 42 4.324 -0.298 -4.795 1.00 0.00 C ATOM 660 CD ARG A 42 5.380 -1.285 -4.289 1.00 0.00 C ATOM 661 NE ARG A 42 6.136 -1.844 -5.431 1.00 0.00 N ATOM 662 CZ ARG A 42 7.061 -1.167 -6.123 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.350 0.099 -5.795 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.698 -1.757 -7.145 1.00 0.00 N ATOM 0 H ARG A 42 2.734 3.134 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 42 2.087 0.575 -4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.599 1.785 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.762 0.706 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.364 -0.805 -4.893 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.599 0.057 -5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.061 -0.782 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.901 -2.089 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 42 5.940 -2.806 -5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.865 0.548 -5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.055 0.614 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.478 -2.721 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.403 -1.242 -7.672 1.00 0.00 H new ATOM 678 N LEU A 43 1.504 -0.250 -1.922 1.00 0.00 N ATOM 679 CA LEU A 43 1.157 -0.800 -0.623 1.00 0.00 C ATOM 680 C LEU A 43 1.817 -2.171 -0.461 1.00 0.00 C ATOM 681 O LEU A 43 1.583 -3.074 -1.261 1.00 0.00 O ATOM 682 CB LEU A 43 -0.361 -0.822 -0.438 1.00 0.00 C ATOM 683 CG LEU A 43 -1.154 0.179 -1.280 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.628 0.193 -0.871 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.526 1.573 -1.209 1.00 0.00 C ATOM 0 H LEU A 43 0.951 -0.611 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 43 1.542 -0.165 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.721 -1.825 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.582 -0.637 0.613 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.112 -0.141 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.169 0.913 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.055 -0.800 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.712 0.476 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.109 2.266 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.517 1.916 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.496 1.531 -1.586 1.00 0.00 H new ATOM 697 N ILE A 44 2.629 -2.282 0.580 1.00 0.00 N ATOM 698 CA ILE A 44 3.323 -3.528 0.857 1.00 0.00 C ATOM 699 C ILE A 44 2.657 -4.225 2.046 1.00 0.00 C ATOM 700 O ILE A 44 2.058 -3.571 2.897 1.00 0.00 O ATOM 701 CB ILE A 44 4.820 -3.274 1.053 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.486 -2.881 -0.267 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.500 -4.482 1.700 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.069 -1.468 -0.187 1.00 0.00 C ATOM 0 H ILE A 44 2.822 -1.530 1.241 1.00 0.00 H new ATOM 0 HA ILE A 44 3.246 -4.205 0.006 1.00 0.00 H new ATOM 0 HB ILE A 44 4.938 -2.433 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.277 -3.592 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.757 -2.932 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.563 -4.276 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.048 -4.676 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.374 -5.356 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.537 -1.213 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.271 -0.757 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.815 -1.427 0.607 1.00 0.00 H new ATOM 716 N PHE A 45 2.785 -5.544 2.064 1.00 0.00 N ATOM 717 CA PHE A 45 2.203 -6.336 3.133 1.00 0.00 C ATOM 718 C PHE A 45 2.899 -7.694 3.251 1.00 0.00 C ATOM 719 O PHE A 45 3.067 -8.398 2.255 1.00 0.00 O ATOM 720 CB PHE A 45 0.732 -6.560 2.775 1.00 0.00 C ATOM 721 CG PHE A 45 -0.180 -6.757 3.987 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.022 -7.807 4.827 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.195 -5.882 4.223 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.826 -7.990 5.952 1.00 0.00 C ATOM 725 CE2 PHE A 45 -2.041 -6.064 5.348 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.839 -7.115 6.188 1.00 0.00 C ATOM 0 H PHE A 45 3.283 -6.083 1.356 1.00 0.00 H new ATOM 0 HA PHE A 45 2.316 -5.816 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.375 -5.706 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.655 -7.435 2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.827 -8.502 4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.357 -5.049 3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.666 -8.824 6.619 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.845 -5.368 5.537 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.484 -7.254 7.043 1.00 0.00 H new ATOM 736 N ALA A 46 3.286 -8.021 4.475 1.00 0.00 N ATOM 737 CA ALA A 46 3.960 -9.282 4.734 1.00 0.00 C ATOM 738 C ALA A 46 5.267 -9.330 3.941 1.00 0.00 C ATOM 739 O ALA A 46 5.813 -10.405 3.700 1.00 0.00 O ATOM 740 CB ALA A 46 3.025 -10.443 4.388 1.00 0.00 C ATOM 0 H ALA A 46 3.146 -7.435 5.298 1.00 0.00 H new ATOM 0 HA ALA A 46 4.212 -9.371 5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.531 -11.388 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.125 -10.381 5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.751 -10.388 3.334 1.00 0.00 H new ATOM 746 N GLY A 47 5.731 -8.150 3.556 1.00 0.00 N ATOM 747 CA GLY A 47 6.964 -8.044 2.793 1.00 0.00 C ATOM 748 C GLY A 47 6.698 -8.206 1.295 1.00 0.00 C ATOM 749 O GLY A 47 7.601 -8.024 0.479 1.00 0.00 O ATOM 0 H GLY A 47 5.276 -7.260 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.430 -7.077 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.668 -8.807 3.125 1.00 0.00 H new ATOM 753 N LYS A 48 5.457 -8.545 0.980 1.00 0.00 N ATOM 754 CA LYS A 48 5.062 -8.733 -0.405 1.00 0.00 C ATOM 755 C LYS A 48 4.215 -7.542 -0.855 1.00 0.00 C ATOM 756 O LYS A 48 3.344 -7.081 -0.119 1.00 0.00 O ATOM 757 CB LYS A 48 4.367 -10.085 -0.585 1.00 0.00 C ATOM 758 CG LYS A 48 4.771 -10.737 -1.908 1.00 0.00 C ATOM 759 CD LYS A 48 5.203 -12.190 -1.694 1.00 0.00 C ATOM 760 CE LYS A 48 3.986 -13.105 -1.538 1.00 0.00 C ATOM 761 NZ LYS A 48 4.277 -14.192 -0.576 1.00 0.00 N ATOM 0 H LYS A 48 4.712 -8.694 1.660 1.00 0.00 H new ATOM 0 HA LYS A 48 5.940 -8.763 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.626 -10.744 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.286 -9.949 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.934 -10.702 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.587 -10.174 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.807 -12.522 -2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.831 -12.260 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.129 -12.526 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.716 -13.529 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.442 -14.804 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.081 -14.754 -0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.513 -13.782 0.350 1.00 0.00 H new ATOM 775 N GLN A 49 4.499 -7.077 -2.064 1.00 0.00 N ATOM 776 CA GLN A 49 3.775 -5.948 -2.621 1.00 0.00 C ATOM 777 C GLN A 49 2.417 -6.403 -3.161 1.00 0.00 C ATOM 778 O GLN A 49 2.324 -7.429 -3.832 1.00 0.00 O ATOM 779 CB GLN A 49 4.594 -5.255 -3.712 1.00 0.00 C ATOM 780 CG GLN A 49 4.956 -6.234 -4.830 1.00 0.00 C ATOM 781 CD GLN A 49 6.382 -6.761 -4.657 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.016 -6.583 -3.630 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.849 -7.419 -5.715 1.00 0.00 N ATOM 0 H GLN A 49 5.221 -7.463 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 49 3.604 -5.223 -1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.026 -4.421 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.504 -4.838 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.254 -7.068 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.862 -5.739 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.265 -7.532 -6.544 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.791 -7.810 -5.697 1.00 0.00 H new ATOM 792 N LEU A 50 1.398 -5.617 -2.846 1.00 0.00 N ATOM 793 CA LEU A 50 0.049 -5.926 -3.291 1.00 0.00 C ATOM 794 C LEU A 50 -0.038 -5.741 -4.806 1.00 0.00 C ATOM 795 O LEU A 50 0.105 -4.627 -5.309 1.00 0.00 O ATOM 796 CB LEU A 50 -0.975 -5.100 -2.510 1.00 0.00 C ATOM 797 CG LEU A 50 -0.804 -5.082 -0.990 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.810 -4.133 -0.336 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.891 -6.496 -0.411 1.00 0.00 C ATOM 0 H LEU A 50 1.479 -4.767 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.192 -6.968 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.936 -4.073 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.970 -5.481 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 50 0.192 -4.702 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.667 -4.139 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.658 -3.123 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.823 -4.460 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.766 -6.454 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.864 -6.927 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.105 -7.115 -0.843 1.00 0.00 H new ATOM 811 N GLU A 51 -0.273 -6.849 -5.494 1.00 0.00 N ATOM 812 CA GLU A 51 -0.380 -6.823 -6.943 1.00 0.00 C ATOM 813 C GLU A 51 -1.828 -6.559 -7.362 1.00 0.00 C ATOM 814 O GLU A 51 -2.713 -7.371 -7.096 1.00 0.00 O ATOM 815 CB GLU A 51 0.140 -8.125 -7.555 1.00 0.00 C ATOM 816 CG GLU A 51 1.540 -8.454 -7.036 1.00 0.00 C ATOM 817 CD GLU A 51 2.095 -9.709 -7.712 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.635 -9.997 -8.839 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.966 -10.352 -7.088 1.00 0.00 O ATOM 0 H GLU A 51 -0.392 -7.771 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 51 0.241 -6.011 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.542 -8.941 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.162 -8.037 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.207 -7.612 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.506 -8.603 -5.957 1.00 0.00 H new ATOM 826 N ASP A 52 -2.025 -5.422 -8.013 1.00 0.00 N ATOM 827 CA ASP A 52 -3.349 -5.041 -8.472 1.00 0.00 C ATOM 828 C ASP A 52 -4.002 -6.233 -9.176 1.00 0.00 C ATOM 829 O ASP A 52 -3.638 -6.569 -10.302 1.00 0.00 O ATOM 830 CB ASP A 52 -3.275 -3.885 -9.471 1.00 0.00 C ATOM 831 CG ASP A 52 -2.220 -4.044 -10.567 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.066 -4.359 -10.203 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.589 -3.847 -11.743 1.00 0.00 O ATOM 0 H ASP A 52 -1.288 -4.752 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.930 -4.730 -7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.251 -3.768 -9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.073 -2.964 -8.924 1.00 0.00 H new ATOM 838 N GLY A 53 -4.955 -6.839 -8.483 1.00 0.00 N ATOM 839 CA GLY A 53 -5.662 -7.986 -9.028 1.00 0.00 C ATOM 840 C GLY A 53 -5.925 -9.034 -7.944 1.00 0.00 C ATOM 841 O GLY A 53 -6.705 -9.962 -8.149 1.00 0.00 O ATOM 0 H GLY A 53 -5.254 -6.558 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.608 -7.662 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.076 -8.430 -9.833 1.00 0.00 H new ATOM 845 N ARG A 54 -5.257 -8.849 -6.814 1.00 0.00 N ATOM 846 CA ARG A 54 -5.409 -9.766 -5.697 1.00 0.00 C ATOM 847 C ARG A 54 -6.432 -9.223 -4.698 1.00 0.00 C ATOM 848 O ARG A 54 -6.649 -8.014 -4.622 1.00 0.00 O ATOM 849 CB ARG A 54 -4.075 -9.988 -4.981 1.00 0.00 C ATOM 850 CG ARG A 54 -3.275 -11.109 -5.646 1.00 0.00 C ATOM 851 CD ARG A 54 -3.011 -12.251 -4.663 1.00 0.00 C ATOM 852 NE ARG A 54 -1.568 -12.320 -4.343 1.00 0.00 N ATOM 853 CZ ARG A 54 -0.631 -12.776 -5.187 1.00 0.00 C ATOM 854 NH1 ARG A 54 -0.982 -13.206 -6.407 1.00 0.00 N ATOM 855 NH2 ARG A 54 0.654 -12.802 -4.811 1.00 0.00 N ATOM 0 H ARG A 54 -4.610 -8.078 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.757 -10.719 -6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.494 -9.066 -4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.257 -10.237 -3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.821 -11.487 -6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.328 -10.715 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.587 -12.097 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.342 -13.196 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.267 -12.001 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.961 -13.186 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.270 -13.553 -7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.920 -12.475 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.366 -13.149 -5.453 1.00 0.00 H new ATOM 869 N THR A 55 -7.034 -10.141 -3.957 1.00 0.00 N ATOM 870 CA THR A 55 -8.030 -9.769 -2.966 1.00 0.00 C ATOM 871 C THR A 55 -7.403 -9.727 -1.570 1.00 0.00 C ATOM 872 O THR A 55 -6.531 -10.534 -1.253 1.00 0.00 O ATOM 873 CB THR A 55 -9.198 -10.750 -3.077 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.600 -12.028 -2.873 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.764 -10.827 -4.497 1.00 0.00 C ATOM 0 H THR A 55 -6.851 -11.142 -4.023 1.00 0.00 H new ATOM 0 HA THR A 55 -8.412 -8.765 -3.148 1.00 0.00 H new ATOM 0 HB THR A 55 -9.987 -10.454 -2.386 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.288 -12.724 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.591 -11.537 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.122 -9.843 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.983 -11.156 -5.183 1.00 0.00 H new ATOM 883 N LEU A 56 -7.872 -8.777 -0.775 1.00 0.00 N ATOM 884 CA LEU A 56 -7.369 -8.618 0.579 1.00 0.00 C ATOM 885 C LEU A 56 -7.469 -9.956 1.315 1.00 0.00 C ATOM 886 O LEU A 56 -6.598 -10.295 2.115 1.00 0.00 O ATOM 887 CB LEU A 56 -8.090 -7.471 1.287 1.00 0.00 C ATOM 888 CG LEU A 56 -7.986 -6.098 0.619 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.167 -5.208 1.010 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.643 -5.437 0.932 1.00 0.00 C ATOM 0 H LEU A 56 -8.595 -8.109 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.315 -8.340 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.145 -7.731 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.696 -7.391 2.300 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.032 -6.239 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.069 -4.238 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.098 -5.680 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.177 -5.071 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.595 -4.463 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.543 -5.310 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.833 -6.067 0.564 1.00 0.00 H new ATOM 902 N SER A 57 -8.538 -10.680 1.019 1.00 0.00 N ATOM 903 CA SER A 57 -8.763 -11.973 1.642 1.00 0.00 C ATOM 904 C SER A 57 -7.643 -12.942 1.257 1.00 0.00 C ATOM 905 O SER A 57 -7.154 -13.696 2.097 1.00 0.00 O ATOM 906 CB SER A 57 -10.124 -12.548 1.243 1.00 0.00 C ATOM 907 OG SER A 57 -10.371 -13.809 1.857 1.00 0.00 O ATOM 0 H SER A 57 -9.258 -10.395 0.355 1.00 0.00 H new ATOM 0 HA SER A 57 -8.760 -11.836 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.910 -11.847 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.168 -12.658 0.159 1.00 0.00 H new ATOM 0 HG SER A 57 -11.250 -14.142 1.579 1.00 0.00 H new ATOM 913 N ASP A 58 -7.271 -12.890 -0.013 1.00 0.00 N ATOM 914 CA ASP A 58 -6.219 -13.754 -0.521 1.00 0.00 C ATOM 915 C ASP A 58 -4.919 -13.463 0.231 1.00 0.00 C ATOM 916 O ASP A 58 -4.003 -14.283 0.236 1.00 0.00 O ATOM 917 CB ASP A 58 -5.970 -13.504 -2.010 1.00 0.00 C ATOM 918 CG ASP A 58 -6.306 -14.681 -2.928 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.518 -14.929 -3.112 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.345 -15.304 -3.427 1.00 0.00 O ATOM 0 H ASP A 58 -7.679 -12.263 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.534 -14.788 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.558 -12.640 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.921 -13.242 -2.149 1.00 0.00 H new ATOM 925 N TYR A 59 -4.880 -12.291 0.849 1.00 0.00 N ATOM 926 CA TYR A 59 -3.707 -11.880 1.602 1.00 0.00 C ATOM 927 C TYR A 59 -3.896 -12.146 3.098 1.00 0.00 C ATOM 928 O TYR A 59 -2.956 -12.010 3.879 1.00 0.00 O ATOM 929 CB TYR A 59 -3.568 -10.373 1.378 1.00 0.00 C ATOM 930 CG TYR A 59 -2.855 -10.002 0.076 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.692 -10.650 -0.283 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.378 -9.018 -0.739 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.021 -10.300 -1.508 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.707 -8.668 -1.965 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.562 -9.326 -2.288 1.00 0.00 C ATOM 936 OH TYR A 59 -0.929 -8.996 -3.447 1.00 0.00 O ATOM 0 H TYR A 59 -5.642 -11.613 0.843 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.827 -12.434 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.561 -9.923 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.022 -9.940 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.284 -11.420 0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.289 -8.511 -0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.109 -10.799 -1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.104 -7.901 -2.613 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.464 -9.300 -4.210 1.00 0.00 H new ATOM 946 N ASN A 60 -5.117 -12.519 3.450 1.00 0.00 N ATOM 947 CA ASN A 60 -5.441 -12.805 4.837 1.00 0.00 C ATOM 948 C ASN A 60 -5.110 -11.583 5.696 1.00 0.00 C ATOM 949 O ASN A 60 -4.297 -11.666 6.615 1.00 0.00 O ATOM 950 CB ASN A 60 -4.623 -13.987 5.362 1.00 0.00 C ATOM 951 CG ASN A 60 -5.106 -14.416 6.749 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.259 -14.252 7.112 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.161 -14.970 7.503 1.00 0.00 N ATOM 0 H ASN A 60 -5.894 -12.630 2.799 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.502 -13.048 4.892 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.703 -14.825 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.569 -13.712 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.382 -15.287 8.447 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.215 -15.078 7.138 1.00 0.00 H new ATOM 960 N ILE A 61 -5.759 -10.475 5.367 1.00 0.00 N ATOM 961 CA ILE A 61 -5.544 -9.237 6.096 1.00 0.00 C ATOM 962 C ILE A 61 -6.377 -9.254 7.379 1.00 0.00 C ATOM 963 O ILE A 61 -7.527 -9.692 7.370 1.00 0.00 O ATOM 964 CB ILE A 61 -5.823 -8.030 5.198 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.626 -7.733 4.291 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.230 -6.812 6.027 1.00 0.00 C ATOM 967 CD1 ILE A 61 -5.063 -7.609 2.830 1.00 0.00 C ATOM 0 H ILE A 61 -6.434 -10.409 4.605 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.499 -9.148 6.395 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.665 -8.274 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.144 -6.809 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.886 -8.528 4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.422 -5.968 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.133 -7.042 6.593 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.425 -6.556 6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.194 -7.398 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.523 -8.543 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.784 -6.797 2.734 1.00 0.00 H new ATOM 979 N GLN A 62 -5.765 -8.773 8.451 1.00 0.00 N ATOM 980 CA GLN A 62 -6.437 -8.728 9.739 1.00 0.00 C ATOM 981 C GLN A 62 -7.006 -7.331 9.992 1.00 0.00 C ATOM 982 O GLN A 62 -6.556 -6.356 9.392 1.00 0.00 O ATOM 983 CB GLN A 62 -5.490 -9.147 10.865 1.00 0.00 C ATOM 984 CG GLN A 62 -4.740 -10.430 10.502 1.00 0.00 C ATOM 985 CD GLN A 62 -5.369 -11.647 11.185 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.019 -11.546 12.212 1.00 0.00 O ATOM 987 NE2 GLN A 62 -5.139 -12.797 10.559 1.00 0.00 N ATOM 0 H GLN A 62 -4.811 -8.411 8.454 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.264 -9.438 9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.776 -8.347 11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.057 -9.300 11.783 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.752 -10.569 9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.695 -10.341 10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.586 -12.809 9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.516 -13.667 10.936 1.00 0.00 H new ATOM 996 N LYS A 63 -7.987 -7.279 10.882 1.00 0.00 N ATOM 997 CA LYS A 63 -8.622 -6.016 11.221 1.00 0.00 C ATOM 998 C LYS A 63 -7.545 -4.984 11.562 1.00 0.00 C ATOM 999 O LYS A 63 -6.625 -5.271 12.327 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.654 -6.219 12.333 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.014 -6.860 13.565 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.069 -7.188 14.624 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.414 -7.652 15.926 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.418 -8.276 16.817 1.00 0.00 N ATOM 0 H LYS A 63 -8.357 -8.090 11.378 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.178 -5.627 10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.094 -5.260 12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.465 -6.850 11.970 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.490 -7.771 13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.269 -6.184 13.986 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.683 -6.308 14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.735 -7.966 14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.620 -8.366 15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.950 -6.804 16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.957 -8.585 17.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.161 -7.584 17.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.842 -9.098 16.341 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.696 -3.805 10.977 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.747 -2.728 11.210 1.00 0.00 C ATOM 1020 C GLU A 64 -5.324 -3.198 10.898 1.00 0.00 C ATOM 1021 O GLU A 64 -4.437 -3.105 11.745 1.00 0.00 O ATOM 1022 CB GLU A 64 -6.851 -2.206 12.644 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.311 -2.125 13.094 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.435 -1.371 14.420 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.735 -0.345 14.556 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.228 -1.838 15.266 1.00 0.00 O ATOM 0 H GLU A 64 -8.460 -3.571 10.343 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.991 -1.903 10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.296 -2.862 13.315 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.391 -1.220 12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.904 -1.623 12.329 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.718 -3.130 13.204 1.00 0.00 H new ATOM 1033 N SER A 65 -5.151 -3.691 9.682 1.00 0.00 N ATOM 1034 CA SER A 65 -3.852 -4.175 9.248 1.00 0.00 C ATOM 1035 C SER A 65 -2.922 -2.993 8.963 1.00 0.00 C ATOM 1036 O SER A 65 -3.381 -1.911 8.603 1.00 0.00 O ATOM 1037 CB SER A 65 -3.979 -5.061 8.007 1.00 0.00 C ATOM 1038 OG SER A 65 -4.904 -4.527 7.063 1.00 0.00 O ATOM 0 H SER A 65 -5.889 -3.766 8.982 1.00 0.00 H new ATOM 0 HA SER A 65 -3.428 -4.779 10.050 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.002 -5.168 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.300 -6.059 8.305 1.00 0.00 H new ATOM 0 HG SER A 65 -4.631 -4.782 6.157 1.00 0.00 H new ATOM 1044 N THR A 66 -1.632 -3.243 9.135 1.00 0.00 N ATOM 1045 CA THR A 66 -0.633 -2.213 8.901 1.00 0.00 C ATOM 1046 C THR A 66 -0.034 -2.360 7.500 1.00 0.00 C ATOM 1047 O THR A 66 0.704 -3.307 7.234 1.00 0.00 O ATOM 1048 CB THR A 66 0.407 -2.300 10.019 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.216 -1.650 11.124 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.645 -1.447 9.735 1.00 0.00 C ATOM 0 H THR A 66 -1.256 -4.143 9.433 1.00 0.00 H new ATOM 0 HA THR A 66 -1.077 -1.218 8.928 1.00 0.00 H new ATOM 0 HB THR A 66 0.706 -3.339 10.156 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.389 -1.662 11.895 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.351 -1.545 10.560 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.116 -1.785 8.812 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.351 -0.403 9.631 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.374 -1.409 6.644 1.00 0.00 N ATOM 1059 CA LEU A 67 0.121 -1.421 5.277 1.00 0.00 C ATOM 1060 C LEU A 67 1.137 -0.291 5.098 1.00 0.00 C ATOM 1061 O LEU A 67 1.011 0.766 5.717 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.042 -1.366 4.285 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.047 -2.516 4.365 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.127 -2.229 5.410 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.646 -2.817 2.990 1.00 0.00 C ATOM 0 H LEU A 67 -0.986 -0.625 6.869 1.00 0.00 H new ATOM 0 HA LEU A 67 0.642 -2.355 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.579 -0.430 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.631 -1.338 3.276 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.516 -3.411 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.829 -3.062 5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.663 -2.103 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.660 -1.317 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.357 -3.639 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.158 -1.931 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.850 -3.096 2.300 1.00 0.00 H new ATOM 1077 N HIS A 68 2.120 -0.551 4.249 1.00 0.00 N ATOM 1078 CA HIS A 68 3.157 0.431 3.980 1.00 0.00 C ATOM 1079 C HIS A 68 2.953 1.023 2.585 1.00 0.00 C ATOM 1080 O HIS A 68 3.150 0.339 1.582 1.00 0.00 O ATOM 1081 CB HIS A 68 4.547 -0.180 4.169 1.00 0.00 C ATOM 1082 CG HIS A 68 5.490 0.676 4.978 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.859 0.683 4.773 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.248 1.555 5.994 1.00 0.00 C ATOM 1085 CE1 HIS A 68 7.406 1.530 5.633 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.406 2.068 6.389 1.00 0.00 N ATOM 0 H HIS A 68 2.221 -1.428 3.738 1.00 0.00 H new ATOM 0 HA HIS A 68 3.084 1.248 4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.443 -1.149 4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.988 -0.362 3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.278 1.793 6.406 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.459 1.755 5.720 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.528 2.752 7.135 1.00 0.00 H new ATOM 1094 N LEU A 69 2.563 2.289 2.564 1.00 0.00 N ATOM 1095 CA LEU A 69 2.330 2.981 1.308 1.00 0.00 C ATOM 1096 C LEU A 69 3.558 3.824 0.961 1.00 0.00 C ATOM 1097 O LEU A 69 3.771 4.887 1.544 1.00 0.00 O ATOM 1098 CB LEU A 69 1.030 3.784 1.371 1.00 0.00 C ATOM 1099 CG LEU A 69 0.925 4.967 0.406 1.00 0.00 C ATOM 1100 CD1 LEU A 69 1.276 4.542 -1.022 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.456 5.620 0.486 1.00 0.00 C ATOM 0 H LEU A 69 2.402 2.854 3.398 1.00 0.00 H new ATOM 0 HA LEU A 69 2.195 2.265 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.198 3.107 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.906 4.158 2.387 1.00 0.00 H new ATOM 0 HG LEU A 69 1.654 5.719 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.194 5.401 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.296 4.160 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.588 3.762 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.503 6.458 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.220 4.888 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.630 5.980 1.500 1.00 0.00 H new ATOM 1113 N VAL A 70 4.335 3.320 0.014 1.00 0.00 N ATOM 1114 CA VAL A 70 5.536 4.014 -0.418 1.00 0.00 C ATOM 1115 C VAL A 70 5.357 4.484 -1.863 1.00 0.00 C ATOM 1116 O VAL A 70 4.353 4.174 -2.501 1.00 0.00 O ATOM 1117 CB VAL A 70 6.757 3.111 -0.230 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.899 2.130 -1.395 1.00 0.00 C ATOM 1119 CG2 VAL A 70 8.031 3.941 -0.055 1.00 0.00 C ATOM 0 H VAL A 70 4.156 2.438 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 70 5.706 4.901 0.193 1.00 0.00 H new ATOM 0 HB VAL A 70 6.607 2.531 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.774 1.500 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.008 1.505 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.016 2.685 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.884 3.275 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.187 4.559 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.931 4.580 0.822 1.00 0.00 H new