USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 36 MET CE :methyl -169:sc= -0.239 (180deg=-0.452) USER MOD Set 1.2: A 72 MET CE :methyl -103:sc= -0.604 (180deg=-1.07) USER MOD Set 2.1: A 24 ASN : amide:sc= -3.07! C(o=-2.8!,f=-16!) USER MOD Set 2.2: A 26 SER OG : rot -49:sc= 0.31 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 50:sc= 0.682 USER MOD Single : A 3 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 8 GLN : amide:sc= -10.5! C(o=-11!,f=-20!) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0318) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.068 (180deg=-0.311) USER MOD Single : A 23 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 99:sc= -0.449 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -66:sc= 1.09 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.293 K(o=-0.29,f=-3.2!) USER MOD Single : A 52 MET CE :methyl 144:sc= -5.51! (180deg=-7.02!) USER MOD Single : A 53 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.5!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -12.2! C(o=-12!,f=-13!) USER MOD Single : A 62 GLN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.696 USER MOD Single : A 75 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.904 -1.367 -25.167 1.00 0.00 N ATOM 2 CA SER A 1 -7.705 -2.390 -24.099 1.00 0.00 C ATOM 3 C SER A 1 -6.841 -1.816 -22.973 1.00 0.00 C ATOM 4 O SER A 1 -5.629 -1.790 -23.060 1.00 0.00 O ATOM 5 CB SER A 1 -6.987 -3.548 -24.790 1.00 0.00 C ATOM 6 OG SER A 1 -7.898 -4.219 -25.651 1.00 0.00 O ATOM 0 H1 SER A 1 -8.492 -1.767 -25.926 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.378 -0.533 -24.765 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.981 -1.086 -25.555 1.00 0.00 H new ATOM 0 HA SER A 1 -8.645 -2.706 -23.647 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.137 -3.175 -25.361 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.593 -4.242 -24.047 1.00 0.00 H new ATOM 0 HG SER A 1 -7.440 -4.962 -26.097 1.00 0.00 H new ATOM 14 N SER A 2 -7.454 -1.359 -21.916 1.00 0.00 N ATOM 15 CA SER A 2 -6.666 -0.789 -20.785 1.00 0.00 C ATOM 16 C SER A 2 -7.564 -0.595 -19.560 1.00 0.00 C ATOM 17 O SER A 2 -8.140 0.456 -19.361 1.00 0.00 O ATOM 18 CB SER A 2 -6.158 0.558 -21.296 1.00 0.00 C ATOM 19 OG SER A 2 -4.783 0.443 -21.637 1.00 0.00 O ATOM 0 H SER A 2 -8.466 -1.355 -21.786 1.00 0.00 H new ATOM 0 HA SER A 2 -5.849 -1.443 -20.479 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.735 0.871 -22.166 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.292 1.324 -20.532 1.00 0.00 H new ATOM 0 HG SER A 2 -4.653 -0.339 -22.214 1.00 0.00 H new ATOM 25 N ASN A 3 -7.687 -1.601 -18.738 1.00 0.00 N ATOM 26 CA ASN A 3 -8.549 -1.474 -17.527 1.00 0.00 C ATOM 27 C ASN A 3 -8.267 -2.623 -16.555 1.00 0.00 C ATOM 28 O ASN A 3 -7.255 -3.289 -16.643 1.00 0.00 O ATOM 29 CB ASN A 3 -9.982 -1.552 -18.051 1.00 0.00 C ATOM 30 CG ASN A 3 -10.197 -2.894 -18.755 1.00 0.00 C ATOM 31 OD1 ASN A 3 -9.322 -3.737 -18.758 1.00 0.00 O ATOM 32 ND2 ASN A 3 -11.330 -3.127 -19.358 1.00 0.00 N ATOM 0 H ASN A 3 -7.229 -2.505 -18.852 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.365 -0.547 -16.984 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.688 -1.444 -17.227 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.172 -0.732 -18.743 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.482 -4.017 -19.832 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.064 -2.419 -19.355 1.00 0.00 H new ATOM 39 N LEU A 4 -9.155 -2.858 -15.628 1.00 0.00 N ATOM 40 CA LEU A 4 -8.937 -3.964 -14.652 1.00 0.00 C ATOM 41 C LEU A 4 -10.090 -4.970 -14.727 1.00 0.00 C ATOM 42 O LEU A 4 -11.049 -4.778 -15.448 1.00 0.00 O ATOM 43 CB LEU A 4 -8.906 -3.284 -13.283 1.00 0.00 C ATOM 44 CG LEU A 4 -7.901 -4.000 -12.380 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.481 -3.740 -12.888 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.034 -3.470 -10.950 1.00 0.00 C ATOM 0 H LEU A 4 -10.021 -2.333 -15.504 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.020 -4.517 -14.852 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.630 -2.235 -13.392 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.898 -3.307 -12.831 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.101 -5.071 -12.393 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.765 -4.251 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.385 -4.115 -13.907 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.281 -2.669 -12.876 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.318 -3.980 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.834 -2.399 -10.939 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.045 -3.654 -10.586 1.00 0.00 H new ATOM 58 N THR A 5 -10.004 -6.041 -13.986 1.00 0.00 N ATOM 59 CA THR A 5 -11.093 -7.059 -14.016 1.00 0.00 C ATOM 60 C THR A 5 -11.039 -7.931 -12.758 1.00 0.00 C ATOM 61 O THR A 5 -10.467 -7.554 -11.754 1.00 0.00 O ATOM 62 CB THR A 5 -10.818 -7.898 -15.264 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.093 -7.120 -16.206 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.142 -8.348 -15.881 1.00 0.00 C ATOM 0 H THR A 5 -9.227 -6.255 -13.361 1.00 0.00 H new ATOM 0 HA THR A 5 -12.083 -6.603 -14.042 1.00 0.00 H new ATOM 0 HB THR A 5 -10.232 -8.775 -14.990 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.915 -7.657 -17.006 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.944 -8.946 -16.771 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.696 -8.946 -15.157 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.731 -7.473 -16.156 1.00 0.00 H new ATOM 72 N GLU A 6 -11.629 -9.093 -12.806 1.00 0.00 N ATOM 73 CA GLU A 6 -11.613 -9.989 -11.613 1.00 0.00 C ATOM 74 C GLU A 6 -10.191 -10.491 -11.345 1.00 0.00 C ATOM 75 O GLU A 6 -9.593 -10.176 -10.335 1.00 0.00 O ATOM 76 CB GLU A 6 -12.533 -11.154 -11.980 1.00 0.00 C ATOM 77 CG GLU A 6 -13.904 -10.945 -11.335 1.00 0.00 C ATOM 78 CD GLU A 6 -14.067 -11.908 -10.158 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.492 -13.028 -10.389 1.00 0.00 O ATOM 80 OE2 GLU A 6 -13.764 -11.509 -9.045 1.00 0.00 O ATOM 0 H GLU A 6 -12.122 -9.462 -13.619 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.943 -9.478 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.636 -11.223 -13.063 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.099 -12.095 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.003 -9.915 -10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.692 -11.114 -12.069 1.00 0.00 H new ATOM 87 N GLU A 7 -9.647 -11.268 -12.241 1.00 0.00 N ATOM 88 CA GLU A 7 -8.265 -11.790 -12.035 1.00 0.00 C ATOM 89 C GLU A 7 -7.357 -10.680 -11.499 1.00 0.00 C ATOM 90 O GLU A 7 -6.618 -10.873 -10.554 1.00 0.00 O ATOM 91 CB GLU A 7 -7.800 -12.241 -13.421 1.00 0.00 C ATOM 92 CG GLU A 7 -7.986 -13.754 -13.553 1.00 0.00 C ATOM 93 CD GLU A 7 -6.640 -14.407 -13.876 1.00 0.00 C ATOM 94 OE1 GLU A 7 -5.819 -13.752 -14.495 1.00 0.00 O ATOM 95 OE2 GLU A 7 -6.454 -15.552 -13.497 1.00 0.00 O ATOM 0 H GLU A 7 -10.099 -11.564 -13.106 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.234 -12.604 -11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.370 -11.725 -14.194 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.752 -11.978 -13.568 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.388 -14.164 -12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.708 -13.975 -14.339 1.00 0.00 H new ATOM 102 N GLN A 8 -7.409 -9.518 -12.090 1.00 0.00 N ATOM 103 CA GLN A 8 -6.551 -8.400 -11.604 1.00 0.00 C ATOM 104 C GLN A 8 -6.748 -8.211 -10.100 1.00 0.00 C ATOM 105 O GLN A 8 -5.833 -8.373 -9.317 1.00 0.00 O ATOM 106 CB GLN A 8 -7.030 -7.168 -12.370 1.00 0.00 C ATOM 107 CG GLN A 8 -6.773 -7.364 -13.865 1.00 0.00 C ATOM 108 CD GLN A 8 -5.732 -6.349 -14.342 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.076 -5.316 -14.882 1.00 0.00 O ATOM 110 NE2 GLN A 8 -4.464 -6.601 -14.163 1.00 0.00 N ATOM 0 H GLN A 8 -8.006 -9.294 -12.886 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.490 -8.588 -11.767 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.093 -7.006 -12.191 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.508 -6.280 -12.014 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.421 -8.378 -14.054 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.701 -7.239 -14.424 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.175 -7.468 -13.710 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.762 -5.931 -14.476 1.00 0.00 H new ATOM 119 N ILE A 9 -7.939 -7.874 -9.687 1.00 0.00 N ATOM 120 CA ILE A 9 -8.196 -7.684 -8.231 1.00 0.00 C ATOM 121 C ILE A 9 -7.653 -8.881 -7.449 1.00 0.00 C ATOM 122 O ILE A 9 -7.243 -8.760 -6.311 1.00 0.00 O ATOM 123 CB ILE A 9 -9.717 -7.603 -8.102 1.00 0.00 C ATOM 124 CG1 ILE A 9 -10.233 -6.399 -8.895 1.00 0.00 C ATOM 125 CG2 ILE A 9 -10.097 -7.442 -6.629 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.741 -6.258 -8.684 1.00 0.00 C ATOM 0 H ILE A 9 -8.745 -7.722 -10.294 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.710 -6.793 -7.835 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.163 -8.517 -8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.723 -5.491 -8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.014 -6.527 -9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.182 -7.384 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.730 -8.298 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.650 -6.529 -6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.109 -5.401 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.243 -7.162 -9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.948 -6.110 -7.624 1.00 0.00 H new ATOM 138 N ALA A 10 -7.646 -10.037 -8.055 1.00 0.00 N ATOM 139 CA ALA A 10 -7.128 -11.246 -7.354 1.00 0.00 C ATOM 140 C ALA A 10 -5.598 -11.213 -7.310 1.00 0.00 C ATOM 141 O ALA A 10 -5.002 -10.946 -6.286 1.00 0.00 O ATOM 142 CB ALA A 10 -7.617 -12.428 -8.191 1.00 0.00 C ATOM 0 H ALA A 10 -7.977 -10.196 -9.007 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.474 -11.308 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.276 -13.360 -7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.706 -12.421 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.218 -12.348 -9.202 1.00 0.00 H new ATOM 148 N GLU A 11 -4.958 -11.479 -8.415 1.00 0.00 N ATOM 149 CA GLU A 11 -3.467 -11.457 -8.434 1.00 0.00 C ATOM 150 C GLU A 11 -2.955 -10.198 -7.732 1.00 0.00 C ATOM 151 O GLU A 11 -1.930 -10.210 -7.078 1.00 0.00 O ATOM 152 CB GLU A 11 -3.088 -11.438 -9.916 1.00 0.00 C ATOM 153 CG GLU A 11 -3.009 -12.873 -10.442 1.00 0.00 C ATOM 154 CD GLU A 11 -3.782 -12.977 -11.757 1.00 0.00 C ATOM 155 OE1 GLU A 11 -3.336 -12.390 -12.731 1.00 0.00 O ATOM 156 OE2 GLU A 11 -4.804 -13.641 -11.771 1.00 0.00 O ATOM 0 H GLU A 11 -5.401 -11.710 -9.304 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.032 -12.312 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.826 -10.872 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.129 -10.937 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.968 -13.158 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.424 -13.564 -9.708 1.00 0.00 H new ATOM 163 N PHE A 12 -3.666 -9.110 -7.858 1.00 0.00 N ATOM 164 CA PHE A 12 -3.225 -7.850 -7.194 1.00 0.00 C ATOM 165 C PHE A 12 -3.264 -8.018 -5.675 1.00 0.00 C ATOM 166 O PHE A 12 -2.351 -7.630 -4.973 1.00 0.00 O ATOM 167 CB PHE A 12 -4.233 -6.792 -7.642 1.00 0.00 C ATOM 168 CG PHE A 12 -3.867 -6.294 -9.020 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.669 -7.205 -10.065 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.730 -4.921 -9.255 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.332 -6.742 -11.343 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.394 -4.458 -10.532 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.195 -5.369 -11.576 1.00 0.00 C ATOM 0 H PHE A 12 -4.532 -9.039 -8.392 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.204 -7.576 -7.460 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.238 -7.214 -7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.243 -5.962 -6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.776 -8.265 -9.885 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.884 -4.218 -8.450 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.178 -7.445 -12.149 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.288 -3.398 -10.712 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.936 -5.012 -12.562 1.00 0.00 H new ATOM 183 N LYS A 13 -4.314 -8.599 -5.160 1.00 0.00 N ATOM 184 CA LYS A 13 -4.408 -8.795 -3.686 1.00 0.00 C ATOM 185 C LYS A 13 -3.204 -9.600 -3.189 1.00 0.00 C ATOM 186 O LYS A 13 -2.509 -9.197 -2.278 1.00 0.00 O ATOM 187 CB LYS A 13 -5.704 -9.576 -3.469 1.00 0.00 C ATOM 188 CG LYS A 13 -6.256 -9.274 -2.074 1.00 0.00 C ATOM 189 CD LYS A 13 -5.140 -9.421 -1.039 1.00 0.00 C ATOM 190 CE LYS A 13 -5.688 -9.101 0.353 1.00 0.00 C ATOM 191 NZ LYS A 13 -5.357 -10.295 1.179 1.00 0.00 N ATOM 0 H LYS A 13 -5.109 -8.946 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.410 -7.851 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.437 -9.303 -4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.519 -10.645 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.663 -8.263 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.075 -9.955 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.742 -10.435 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.316 -8.750 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.230 -8.200 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.764 -8.927 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.514 -10.076 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.965 -11.091 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.360 -10.553 1.032 1.00 0.00 H new ATOM 205 N GLU A 14 -2.950 -10.733 -3.786 1.00 0.00 N ATOM 206 CA GLU A 14 -1.787 -11.557 -3.350 1.00 0.00 C ATOM 207 C GLU A 14 -0.523 -10.695 -3.321 1.00 0.00 C ATOM 208 O GLU A 14 0.293 -10.801 -2.426 1.00 0.00 O ATOM 209 CB GLU A 14 -1.663 -12.658 -4.404 1.00 0.00 C ATOM 210 CG GLU A 14 -1.330 -13.986 -3.719 1.00 0.00 C ATOM 211 CD GLU A 14 -0.084 -14.594 -4.364 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.066 -14.452 -5.567 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.699 -15.193 -3.645 1.00 0.00 O ATOM 0 H GLU A 14 -3.496 -11.123 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.919 -11.969 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.595 -12.748 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.884 -12.402 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.160 -13.826 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.171 -14.674 -3.807 1.00 0.00 H new ATOM 220 N ALA A 15 -0.358 -9.839 -4.292 1.00 0.00 N ATOM 221 CA ALA A 15 0.849 -8.965 -4.319 1.00 0.00 C ATOM 222 C ALA A 15 0.767 -7.924 -3.200 1.00 0.00 C ATOM 223 O ALA A 15 1.502 -7.977 -2.235 1.00 0.00 O ATOM 224 CB ALA A 15 0.814 -8.285 -5.688 1.00 0.00 C ATOM 0 H ALA A 15 -1.007 -9.707 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 15 1.771 -9.525 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.673 -7.622 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.848 -9.042 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.104 -7.706 -5.783 1.00 0.00 H new ATOM 230 N PHE A 16 -0.125 -6.980 -3.322 1.00 0.00 N ATOM 231 CA PHE A 16 -0.260 -5.936 -2.268 1.00 0.00 C ATOM 232 C PHE A 16 -0.171 -6.570 -0.876 1.00 0.00 C ATOM 233 O PHE A 16 0.562 -6.116 -0.022 1.00 0.00 O ATOM 234 CB PHE A 16 -1.645 -5.330 -2.492 1.00 0.00 C ATOM 235 CG PHE A 16 -1.874 -4.210 -1.505 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.435 -2.914 -1.799 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.527 -4.470 -0.294 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.649 -1.878 -0.882 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.742 -3.433 0.622 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.303 -2.137 0.328 1.00 0.00 C ATOM 0 H PHE A 16 -0.768 -6.887 -4.108 1.00 0.00 H new ATOM 0 HA PHE A 16 0.530 -5.187 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.727 -4.952 -3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.412 -6.096 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.931 -2.713 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.865 -5.470 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.309 -0.878 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.247 -3.633 1.556 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.469 -1.337 1.034 1.00 0.00 H new ATOM 250 N ALA A 17 -0.915 -7.618 -0.644 1.00 0.00 N ATOM 251 CA ALA A 17 -0.875 -8.279 0.692 1.00 0.00 C ATOM 252 C ALA A 17 0.481 -8.954 0.914 1.00 0.00 C ATOM 253 O ALA A 17 0.905 -9.161 2.034 1.00 0.00 O ATOM 254 CB ALA A 17 -1.992 -9.323 0.649 1.00 0.00 C ATOM 0 H ALA A 17 -1.548 -8.044 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.010 -7.568 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.029 -9.856 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.947 -8.827 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.797 -10.031 -0.156 1.00 0.00 H new ATOM 260 N LEU A 18 1.164 -9.301 -0.142 1.00 0.00 N ATOM 261 CA LEU A 18 2.491 -9.963 0.015 1.00 0.00 C ATOM 262 C LEU A 18 3.443 -9.063 0.810 1.00 0.00 C ATOM 263 O LEU A 18 4.394 -9.525 1.408 1.00 0.00 O ATOM 264 CB LEU A 18 3.007 -10.164 -1.409 1.00 0.00 C ATOM 265 CG LEU A 18 3.472 -11.610 -1.585 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.736 -11.887 -3.066 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.761 -11.830 -0.790 1.00 0.00 C ATOM 0 H LEU A 18 0.862 -9.155 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 18 2.419 -10.905 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.221 -9.934 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.831 -9.479 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 18 2.698 -12.286 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.067 -12.918 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.819 -11.730 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.510 -11.211 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.094 -12.860 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.533 -11.153 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.575 -11.634 0.266 1.00 0.00 H new ATOM 279 N PHE A 19 3.194 -7.782 0.821 1.00 0.00 N ATOM 280 CA PHE A 19 4.085 -6.856 1.579 1.00 0.00 C ATOM 281 C PHE A 19 3.301 -6.164 2.697 1.00 0.00 C ATOM 282 O PHE A 19 3.715 -5.149 3.221 1.00 0.00 O ATOM 283 CB PHE A 19 4.565 -5.832 0.549 1.00 0.00 C ATOM 284 CG PHE A 19 5.051 -6.550 -0.687 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.134 -6.978 -1.653 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.420 -6.787 -0.867 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.585 -7.642 -2.801 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.870 -7.451 -2.015 1.00 0.00 C ATOM 289 CZ PHE A 19 5.952 -7.879 -2.982 1.00 0.00 C ATOM 0 H PHE A 19 2.413 -7.336 0.339 1.00 0.00 H new ATOM 0 HA PHE A 19 4.917 -7.380 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.753 -5.152 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.368 -5.226 0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.079 -6.796 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.128 -6.458 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.877 -7.971 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.925 -7.633 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.299 -8.392 -3.867 1.00 0.00 H new ATOM 299 N ASP A 20 2.172 -6.705 3.066 1.00 0.00 N ATOM 300 CA ASP A 20 1.364 -6.076 4.150 1.00 0.00 C ATOM 301 C ASP A 20 1.962 -6.411 5.519 1.00 0.00 C ATOM 302 O ASP A 20 1.563 -7.357 6.168 1.00 0.00 O ATOM 303 CB ASP A 20 -0.030 -6.688 4.010 1.00 0.00 C ATOM 304 CG ASP A 20 0.046 -8.195 4.260 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.149 -8.712 4.312 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.001 -8.807 4.395 1.00 0.00 O ATOM 0 H ASP A 20 1.774 -7.554 2.665 1.00 0.00 H new ATOM 0 HA ASP A 20 1.342 -4.989 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.715 -6.225 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.425 -6.494 3.013 1.00 0.00 H new ATOM 311 N LYS A 21 2.917 -5.640 5.964 1.00 0.00 N ATOM 312 CA LYS A 21 3.540 -5.913 7.291 1.00 0.00 C ATOM 313 C LYS A 21 2.456 -6.120 8.352 1.00 0.00 C ATOM 314 O LYS A 21 2.431 -7.120 9.042 1.00 0.00 O ATOM 315 CB LYS A 21 4.368 -4.668 7.605 1.00 0.00 C ATOM 316 CG LYS A 21 5.486 -4.523 6.572 1.00 0.00 C ATOM 317 CD LYS A 21 6.547 -3.555 7.100 1.00 0.00 C ATOM 318 CE LYS A 21 7.803 -4.336 7.492 1.00 0.00 C ATOM 319 NZ LYS A 21 7.399 -5.142 8.678 1.00 0.00 N ATOM 0 H LYS A 21 3.293 -4.833 5.466 1.00 0.00 H new ATOM 0 HA LYS A 21 4.151 -6.816 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.732 -3.783 7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.792 -4.743 8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.935 -5.495 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.080 -4.155 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.790 -2.814 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.161 -3.011 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.141 -4.975 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.627 -3.664 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.248 -5.461 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.815 -4.559 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.851 -5.969 8.365 1.00 0.00 H new ATOM 333 N ASP A 22 1.558 -5.182 8.487 1.00 0.00 N ATOM 334 CA ASP A 22 0.477 -5.325 9.503 1.00 0.00 C ATOM 335 C ASP A 22 -0.464 -6.470 9.118 1.00 0.00 C ATOM 336 O ASP A 22 -1.242 -6.944 9.921 1.00 0.00 O ATOM 337 CB ASP A 22 -0.267 -3.989 9.482 1.00 0.00 C ATOM 338 CG ASP A 22 0.005 -3.232 10.782 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.133 -3.273 11.244 1.00 0.00 O ATOM 340 OD2 ASP A 22 -0.920 -2.623 11.296 1.00 0.00 O ATOM 0 H ASP A 22 1.526 -4.323 7.938 1.00 0.00 H new ATOM 0 HA ASP A 22 0.870 -5.557 10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.057 -3.394 8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.337 -4.159 9.365 1.00 0.00 H new ATOM 345 N ASN A 23 -0.399 -6.917 7.894 1.00 0.00 N ATOM 346 CA ASN A 23 -1.290 -8.030 7.458 1.00 0.00 C ATOM 347 C ASN A 23 -2.759 -7.621 7.600 1.00 0.00 C ATOM 348 O ASN A 23 -3.644 -8.451 7.647 1.00 0.00 O ATOM 349 CB ASN A 23 -0.963 -9.190 8.399 1.00 0.00 C ATOM 350 CG ASN A 23 -0.037 -10.179 7.688 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.438 -11.279 7.364 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.194 -9.832 7.432 1.00 0.00 N ATOM 0 H ASN A 23 0.232 -6.560 7.177 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.136 -8.296 6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.485 -8.814 9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.880 -9.692 8.707 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.820 -10.484 6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.531 -8.908 7.704 1.00 0.00 H new ATOM 359 N ASN A 24 -3.024 -6.344 7.669 1.00 0.00 N ATOM 360 CA ASN A 24 -4.435 -5.883 7.808 1.00 0.00 C ATOM 361 C ASN A 24 -4.988 -5.454 6.447 1.00 0.00 C ATOM 362 O ASN A 24 -6.130 -5.055 6.328 1.00 0.00 O ATOM 363 CB ASN A 24 -4.369 -4.688 8.761 1.00 0.00 C ATOM 364 CG ASN A 24 -3.402 -3.644 8.203 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.970 -3.741 7.072 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.042 -2.639 8.955 1.00 0.00 N ATOM 0 H ASN A 24 -2.326 -5.601 7.635 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.091 -6.668 8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.360 -4.252 8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.040 -5.014 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.398 -1.936 8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.405 -2.557 9.905 1.00 0.00 H new ATOM 373 N GLY A 25 -4.189 -5.534 5.419 1.00 0.00 N ATOM 374 CA GLY A 25 -4.670 -5.132 4.067 1.00 0.00 C ATOM 375 C GLY A 25 -4.125 -3.744 3.723 1.00 0.00 C ATOM 376 O GLY A 25 -4.705 -3.016 2.943 1.00 0.00 O ATOM 0 H GLY A 25 -3.223 -5.860 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.343 -5.858 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.760 -5.122 4.045 1.00 0.00 H new ATOM 380 N SER A 26 -3.015 -3.373 4.298 1.00 0.00 N ATOM 381 CA SER A 26 -2.435 -2.032 4.001 1.00 0.00 C ATOM 382 C SER A 26 -0.910 -2.126 3.901 1.00 0.00 C ATOM 383 O SER A 26 -0.269 -2.818 4.668 1.00 0.00 O ATOM 384 CB SER A 26 -2.842 -1.154 5.184 1.00 0.00 C ATOM 385 OG SER A 26 -2.222 -1.643 6.367 1.00 0.00 O ATOM 0 H SER A 26 -2.484 -3.939 4.960 1.00 0.00 H new ATOM 0 HA SER A 26 -2.791 -1.629 3.053 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.545 -0.121 5.004 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.926 -1.158 5.299 1.00 0.00 H new ATOM 0 HG SER A 26 -2.365 -2.610 6.435 1.00 0.00 H new ATOM 391 N ILE A 27 -0.324 -1.435 2.962 1.00 0.00 N ATOM 392 CA ILE A 27 1.158 -1.486 2.813 1.00 0.00 C ATOM 393 C ILE A 27 1.736 -0.069 2.777 1.00 0.00 C ATOM 394 O ILE A 27 1.026 0.897 2.581 1.00 0.00 O ATOM 395 CB ILE A 27 1.399 -2.197 1.480 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.062 -1.247 0.326 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.507 -3.437 1.394 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.241 -1.976 -1.006 1.00 0.00 C ATOM 0 H ILE A 27 -0.807 -0.837 2.292 1.00 0.00 H new ATOM 0 HA ILE A 27 1.638 -2.003 3.644 1.00 0.00 H new ATOM 0 HB ILE A 27 2.445 -2.496 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.036 -0.891 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.709 -0.370 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.679 -3.944 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.745 -4.114 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.539 -3.138 1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.001 -1.299 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.274 -2.310 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.576 -2.839 -1.041 1.00 0.00 H new ATOM 410 N SER A 28 3.021 0.062 2.961 1.00 0.00 N ATOM 411 CA SER A 28 3.643 1.416 2.932 1.00 0.00 C ATOM 412 C SER A 28 4.014 1.792 1.495 1.00 0.00 C ATOM 413 O SER A 28 4.284 0.939 0.673 1.00 0.00 O ATOM 414 CB SER A 28 4.896 1.296 3.796 1.00 0.00 C ATOM 415 OG SER A 28 5.063 2.490 4.550 1.00 0.00 O ATOM 0 H SER A 28 3.667 -0.709 3.130 1.00 0.00 H new ATOM 0 HA SER A 28 2.969 2.190 3.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.810 0.439 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.770 1.124 3.168 1.00 0.00 H new ATOM 0 HG SER A 28 5.866 2.415 5.107 1.00 0.00 H new ATOM 421 N SER A 29 4.026 3.058 1.184 1.00 0.00 N ATOM 422 CA SER A 29 4.379 3.480 -0.201 1.00 0.00 C ATOM 423 C SER A 29 5.629 2.736 -0.679 1.00 0.00 C ATOM 424 O SER A 29 5.660 2.185 -1.761 1.00 0.00 O ATOM 425 CB SER A 29 4.650 4.981 -0.103 1.00 0.00 C ATOM 426 OG SER A 29 6.053 5.207 -0.110 1.00 0.00 O ATOM 0 H SER A 29 3.807 3.818 1.828 1.00 0.00 H new ATOM 0 HA SER A 29 3.586 3.257 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.182 5.502 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.210 5.383 0.810 1.00 0.00 H new ATOM 0 HG SER A 29 6.339 5.458 -1.013 1.00 0.00 H new ATOM 432 N SER A 30 6.660 2.716 0.121 1.00 0.00 N ATOM 433 CA SER A 30 7.906 2.007 -0.288 1.00 0.00 C ATOM 434 C SER A 30 7.581 0.578 -0.728 1.00 0.00 C ATOM 435 O SER A 30 8.260 0.002 -1.555 1.00 0.00 O ATOM 436 CB SER A 30 8.785 1.997 0.961 1.00 0.00 C ATOM 437 OG SER A 30 10.150 2.077 0.576 1.00 0.00 O ATOM 0 H SER A 30 6.694 3.159 1.039 1.00 0.00 H new ATOM 0 HA SER A 30 8.400 2.493 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.528 2.836 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.610 1.087 1.535 1.00 0.00 H new ATOM 0 HG SER A 30 10.716 2.073 1.376 1.00 0.00 H new ATOM 443 N GLU A 31 6.546 0.000 -0.181 1.00 0.00 N ATOM 444 CA GLU A 31 6.178 -1.392 -0.568 1.00 0.00 C ATOM 445 C GLU A 31 5.263 -1.375 -1.797 1.00 0.00 C ATOM 446 O GLU A 31 5.281 -2.279 -2.609 1.00 0.00 O ATOM 447 CB GLU A 31 5.437 -1.958 0.644 1.00 0.00 C ATOM 448 CG GLU A 31 6.450 -2.387 1.708 1.00 0.00 C ATOM 449 CD GLU A 31 7.351 -1.202 2.062 1.00 0.00 C ATOM 450 OE1 GLU A 31 8.328 -0.996 1.362 1.00 0.00 O ATOM 451 OE2 GLU A 31 7.049 -0.522 3.029 1.00 0.00 O ATOM 0 H GLU A 31 5.940 0.431 0.517 1.00 0.00 H new ATOM 0 HA GLU A 31 7.050 -1.992 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.760 -1.208 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.826 -2.809 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.930 -2.741 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.052 -3.217 1.339 1.00 0.00 H new ATOM 458 N LEU A 32 4.464 -0.352 -1.942 1.00 0.00 N ATOM 459 CA LEU A 32 3.553 -0.281 -3.120 1.00 0.00 C ATOM 460 C LEU A 32 4.365 -0.368 -4.414 1.00 0.00 C ATOM 461 O LEU A 32 3.952 -0.980 -5.378 1.00 0.00 O ATOM 462 CB LEU A 32 2.859 1.077 -3.009 1.00 0.00 C ATOM 463 CG LEU A 32 2.117 1.377 -4.313 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.086 0.280 -4.579 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.405 2.726 -4.193 1.00 0.00 C ATOM 0 H LEU A 32 4.403 0.436 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 32 2.834 -1.100 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.160 1.073 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.593 1.857 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 32 2.830 1.412 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.558 0.495 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.592 -0.682 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.372 0.244 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.876 2.942 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.693 2.689 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.139 3.509 -4.003 1.00 0.00 H new ATOM 477 N ALA A 33 5.523 0.236 -4.441 1.00 0.00 N ATOM 478 CA ALA A 33 6.360 0.178 -5.673 1.00 0.00 C ATOM 479 C ALA A 33 6.676 -1.280 -6.012 1.00 0.00 C ATOM 480 O ALA A 33 6.657 -1.679 -7.160 1.00 0.00 O ATOM 481 CB ALA A 33 7.638 0.939 -5.322 1.00 0.00 C ATOM 0 H ALA A 33 5.924 0.765 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 33 5.860 0.610 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.308 0.941 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.388 1.966 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.130 0.454 -4.479 1.00 0.00 H new ATOM 487 N THR A 34 6.958 -2.079 -5.019 1.00 0.00 N ATOM 488 CA THR A 34 7.266 -3.512 -5.284 1.00 0.00 C ATOM 489 C THR A 34 6.035 -4.206 -5.872 1.00 0.00 C ATOM 490 O THR A 34 6.044 -4.651 -7.003 1.00 0.00 O ATOM 491 CB THR A 34 7.614 -4.106 -3.920 1.00 0.00 C ATOM 492 OG1 THR A 34 8.806 -3.503 -3.432 1.00 0.00 O ATOM 493 CG2 THR A 34 7.823 -5.613 -4.062 1.00 0.00 C ATOM 0 H THR A 34 6.988 -1.802 -4.038 1.00 0.00 H new ATOM 0 HA THR A 34 8.080 -3.637 -5.998 1.00 0.00 H new ATOM 0 HB THR A 34 6.800 -3.917 -3.220 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.029 -3.882 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.071 -6.039 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.909 -6.073 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.638 -5.803 -4.760 1.00 0.00 H new ATOM 501 N VAL A 35 4.972 -4.296 -5.117 1.00 0.00 N ATOM 502 CA VAL A 35 3.743 -4.953 -5.643 1.00 0.00 C ATOM 503 C VAL A 35 3.460 -4.452 -7.063 1.00 0.00 C ATOM 504 O VAL A 35 2.945 -5.169 -7.898 1.00 0.00 O ATOM 505 CB VAL A 35 2.623 -4.527 -4.693 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.919 -5.049 -3.287 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.537 -3.001 -4.658 1.00 0.00 C ATOM 0 H VAL A 35 4.903 -3.944 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 35 3.838 -6.038 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 35 1.676 -4.939 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.120 -4.745 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.982 -6.137 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.866 -4.638 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.739 -2.697 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.485 -2.591 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.326 -2.625 -5.659 1.00 0.00 H new ATOM 517 N MET A 36 3.799 -3.222 -7.335 1.00 0.00 N ATOM 518 CA MET A 36 3.557 -2.655 -8.692 1.00 0.00 C ATOM 519 C MET A 36 4.313 -3.464 -9.751 1.00 0.00 C ATOM 520 O MET A 36 3.722 -4.034 -10.647 1.00 0.00 O ATOM 521 CB MET A 36 4.095 -1.225 -8.620 1.00 0.00 C ATOM 522 CG MET A 36 3.473 -0.386 -9.737 1.00 0.00 C ATOM 523 SD MET A 36 1.673 -0.355 -9.541 1.00 0.00 S ATOM 524 CE MET A 36 1.584 1.116 -8.491 1.00 0.00 C ATOM 0 H MET A 36 4.236 -2.582 -6.672 1.00 0.00 H new ATOM 0 HA MET A 36 2.504 -2.683 -8.970 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.862 -0.787 -7.650 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.181 -1.229 -8.716 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.870 0.629 -9.708 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.736 -0.803 -10.709 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.577 1.212 -8.084 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.298 1.023 -7.673 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.823 2.000 -9.082 1.00 0.00 H new ATOM 534 N ARG A 37 5.613 -3.517 -9.658 1.00 0.00 N ATOM 535 CA ARG A 37 6.401 -4.288 -10.665 1.00 0.00 C ATOM 536 C ARG A 37 6.186 -5.793 -10.475 1.00 0.00 C ATOM 537 O ARG A 37 6.433 -6.582 -11.366 1.00 0.00 O ATOM 538 CB ARG A 37 7.859 -3.917 -10.392 1.00 0.00 C ATOM 539 CG ARG A 37 8.689 -4.143 -11.659 1.00 0.00 C ATOM 540 CD ARG A 37 10.157 -4.348 -11.277 1.00 0.00 C ATOM 541 NE ARG A 37 10.519 -3.141 -10.483 1.00 0.00 N ATOM 542 CZ ARG A 37 11.607 -3.136 -9.763 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.705 -3.660 -10.236 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.599 -2.607 -8.570 1.00 0.00 N ATOM 0 H ARG A 37 6.164 -3.061 -8.931 1.00 0.00 H new ATOM 0 HA ARG A 37 6.102 -4.054 -11.687 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.928 -2.875 -10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.252 -4.521 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.318 -5.014 -12.199 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.592 -3.288 -12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.290 -5.259 -10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.786 -4.442 -12.162 1.00 0.00 H new ATOM 0 HE ARG A 37 9.916 -2.318 -10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.712 -4.073 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.556 -3.656 -9.673 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.742 -2.197 -8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.450 -2.604 -8.008 1.00 0.00 H new ATOM 558 N SER A 38 5.731 -6.199 -9.320 1.00 0.00 N ATOM 559 CA SER A 38 5.505 -7.652 -9.075 1.00 0.00 C ATOM 560 C SER A 38 4.353 -8.167 -9.941 1.00 0.00 C ATOM 561 O SER A 38 4.365 -9.292 -10.399 1.00 0.00 O ATOM 562 CB SER A 38 5.148 -7.753 -7.594 1.00 0.00 C ATOM 563 OG SER A 38 6.284 -8.203 -6.867 1.00 0.00 O ATOM 0 H SER A 38 5.506 -5.587 -8.536 1.00 0.00 H new ATOM 0 HA SER A 38 6.380 -8.251 -9.326 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.823 -6.782 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.316 -8.443 -7.455 1.00 0.00 H new ATOM 0 HG SER A 38 6.059 -8.267 -5.915 1.00 0.00 H new ATOM 569 N LEU A 39 3.359 -7.355 -10.169 1.00 0.00 N ATOM 570 CA LEU A 39 2.209 -7.808 -11.005 1.00 0.00 C ATOM 571 C LEU A 39 2.685 -8.138 -12.422 1.00 0.00 C ATOM 572 O LEU A 39 2.102 -8.953 -13.109 1.00 0.00 O ATOM 573 CB LEU A 39 1.236 -6.628 -11.027 1.00 0.00 C ATOM 574 CG LEU A 39 0.378 -6.643 -9.759 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.704 -5.568 -9.863 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.285 -8.013 -9.605 1.00 0.00 C ATOM 0 H LEU A 39 3.292 -6.401 -9.815 1.00 0.00 H new ATOM 0 HA LEU A 39 1.742 -8.709 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.788 -5.690 -11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.599 -6.686 -11.910 1.00 0.00 H new ATOM 0 HG LEU A 39 1.010 -6.444 -8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.315 -5.578 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.236 -4.590 -9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.334 -5.768 -10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.895 -8.022 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.916 -8.211 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.483 -8.783 -9.532 1.00 0.00 H new ATOM 588 N GLY A 40 3.742 -7.514 -12.865 1.00 0.00 N ATOM 589 CA GLY A 40 4.252 -7.796 -14.238 1.00 0.00 C ATOM 590 C GLY A 40 4.440 -6.483 -14.998 1.00 0.00 C ATOM 591 O GLY A 40 4.256 -6.419 -16.198 1.00 0.00 O ATOM 0 H GLY A 40 4.274 -6.822 -12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.199 -8.333 -14.181 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.552 -8.439 -14.771 1.00 0.00 H new ATOM 595 N LEU A 41 4.807 -5.435 -14.314 1.00 0.00 N ATOM 596 CA LEU A 41 5.007 -4.128 -15.003 1.00 0.00 C ATOM 597 C LEU A 41 6.285 -3.454 -14.496 1.00 0.00 C ATOM 598 O LEU A 41 6.954 -3.954 -13.614 1.00 0.00 O ATOM 599 CB LEU A 41 3.779 -3.292 -14.640 1.00 0.00 C ATOM 600 CG LEU A 41 3.479 -3.441 -13.149 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.099 -2.079 -12.565 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.314 -4.416 -12.960 1.00 0.00 C ATOM 0 H LEU A 41 4.977 -5.426 -13.308 1.00 0.00 H new ATOM 0 HA LEU A 41 5.114 -4.243 -16.082 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.955 -2.244 -14.883 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.920 -3.615 -15.228 1.00 0.00 H new ATOM 0 HG LEU A 41 4.363 -3.822 -12.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.885 -2.186 -11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.926 -1.382 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.215 -1.698 -13.076 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.098 -4.524 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.432 -4.032 -13.472 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.581 -5.387 -13.376 1.00 0.00 H new ATOM 614 N SER A 42 6.628 -2.322 -15.048 1.00 0.00 N ATOM 615 CA SER A 42 7.863 -1.617 -14.597 1.00 0.00 C ATOM 616 C SER A 42 7.888 -0.190 -15.150 1.00 0.00 C ATOM 617 O SER A 42 8.447 0.060 -16.199 1.00 0.00 O ATOM 618 CB SER A 42 9.018 -2.436 -15.173 1.00 0.00 C ATOM 619 OG SER A 42 10.046 -1.556 -15.608 1.00 0.00 O ATOM 0 H SER A 42 6.108 -1.855 -15.791 1.00 0.00 H new ATOM 0 HA SER A 42 7.921 -1.538 -13.511 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.405 -3.121 -14.419 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.667 -3.045 -16.007 1.00 0.00 H new ATOM 0 HG SER A 42 9.722 -1.023 -16.364 1.00 0.00 H new ATOM 625 N PRO A 43 7.278 0.700 -14.417 1.00 0.00 N ATOM 626 CA PRO A 43 7.225 2.124 -14.832 1.00 0.00 C ATOM 627 C PRO A 43 8.600 2.780 -14.670 1.00 0.00 C ATOM 628 O PRO A 43 9.613 2.112 -14.616 1.00 0.00 O ATOM 629 CB PRO A 43 6.210 2.738 -13.870 1.00 0.00 C ATOM 630 CG PRO A 43 6.235 1.853 -12.665 1.00 0.00 C ATOM 631 CD PRO A 43 6.586 0.468 -13.145 1.00 0.00 C ATOM 0 HA PRO A 43 6.948 2.257 -15.878 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.479 3.762 -13.613 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.215 2.772 -14.314 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.968 2.208 -11.941 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.266 1.854 -12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.225 -0.052 -12.432 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.695 -0.145 -13.281 1.00 0.00 H new ATOM 639 N SER A 44 8.643 4.081 -14.593 1.00 0.00 N ATOM 640 CA SER A 44 9.953 4.776 -14.436 1.00 0.00 C ATOM 641 C SER A 44 9.906 5.734 -13.244 1.00 0.00 C ATOM 642 O SER A 44 8.850 6.058 -12.738 1.00 0.00 O ATOM 643 CB SER A 44 10.150 5.549 -15.739 1.00 0.00 C ATOM 644 OG SER A 44 9.419 4.910 -16.779 1.00 0.00 O ATOM 0 H SER A 44 7.828 4.694 -14.632 1.00 0.00 H new ATOM 0 HA SER A 44 10.770 4.079 -14.249 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.811 6.578 -15.620 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.209 5.590 -15.995 1.00 0.00 H new ATOM 0 HG SER A 44 9.542 5.404 -17.616 1.00 0.00 H new ATOM 650 N GLU A 45 11.042 6.191 -12.792 1.00 0.00 N ATOM 651 CA GLU A 45 11.060 7.129 -11.634 1.00 0.00 C ATOM 652 C GLU A 45 9.961 8.184 -11.790 1.00 0.00 C ATOM 653 O GLU A 45 9.036 8.251 -11.006 1.00 0.00 O ATOM 654 CB GLU A 45 12.442 7.784 -11.675 1.00 0.00 C ATOM 655 CG GLU A 45 13.446 6.906 -10.925 1.00 0.00 C ATOM 656 CD GLU A 45 13.189 7.006 -9.421 1.00 0.00 C ATOM 657 OE1 GLU A 45 12.132 7.493 -9.051 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.051 6.595 -8.663 1.00 0.00 O ATOM 0 H GLU A 45 11.958 5.955 -13.174 1.00 0.00 H new ATOM 0 HA GLU A 45 10.879 6.619 -10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.762 7.919 -12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.400 8.775 -11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.355 5.870 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.464 7.223 -11.153 1.00 0.00 H new ATOM 665 N ALA A 46 10.054 9.006 -12.800 1.00 0.00 N ATOM 666 CA ALA A 46 9.012 10.053 -13.005 1.00 0.00 C ATOM 667 C ALA A 46 7.619 9.458 -12.780 1.00 0.00 C ATOM 668 O ALA A 46 6.810 10.006 -12.059 1.00 0.00 O ATOM 669 CB ALA A 46 9.178 10.500 -14.457 1.00 0.00 C ATOM 0 H ALA A 46 10.805 8.998 -13.491 1.00 0.00 H new ATOM 0 HA ALA A 46 9.119 10.886 -12.310 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.444 11.273 -14.686 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.182 10.899 -14.602 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.027 9.648 -15.120 1.00 0.00 H new ATOM 675 N GLU A 47 7.337 8.340 -13.390 1.00 0.00 N ATOM 676 CA GLU A 47 5.998 7.711 -13.208 1.00 0.00 C ATOM 677 C GLU A 47 5.768 7.391 -11.729 1.00 0.00 C ATOM 678 O GLU A 47 4.659 7.456 -11.234 1.00 0.00 O ATOM 679 CB GLU A 47 6.048 6.425 -14.035 1.00 0.00 C ATOM 680 CG GLU A 47 4.686 6.186 -14.690 1.00 0.00 C ATOM 681 CD GLU A 47 4.525 7.121 -15.889 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.724 8.313 -15.716 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.204 6.632 -16.959 1.00 0.00 O ATOM 0 H GLU A 47 7.975 7.835 -14.006 1.00 0.00 H new ATOM 0 HA GLU A 47 5.185 8.365 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.822 6.501 -14.798 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.310 5.580 -13.398 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.602 5.148 -15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.888 6.362 -13.969 1.00 0.00 H new ATOM 690 N VAL A 48 6.808 7.047 -11.019 1.00 0.00 N ATOM 691 CA VAL A 48 6.651 6.725 -9.572 1.00 0.00 C ATOM 692 C VAL A 48 6.402 8.007 -8.773 1.00 0.00 C ATOM 693 O VAL A 48 5.550 8.056 -7.909 1.00 0.00 O ATOM 694 CB VAL A 48 7.977 6.086 -9.160 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.806 5.375 -7.816 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.407 5.070 -10.221 1.00 0.00 C ATOM 0 H VAL A 48 7.760 6.975 -11.379 1.00 0.00 H new ATOM 0 HA VAL A 48 5.806 6.062 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 48 8.738 6.861 -9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.752 4.919 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.501 6.097 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.044 4.601 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.353 4.615 -9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.645 4.296 -10.314 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.530 5.575 -11.179 1.00 0.00 H new ATOM 706 N ASN A 49 7.142 9.043 -9.056 1.00 0.00 N ATOM 707 CA ASN A 49 6.950 10.322 -8.313 1.00 0.00 C ATOM 708 C ASN A 49 5.483 10.757 -8.380 1.00 0.00 C ATOM 709 O ASN A 49 4.882 11.101 -7.382 1.00 0.00 O ATOM 710 CB ASN A 49 7.843 11.334 -9.032 1.00 0.00 C ATOM 711 CG ASN A 49 8.486 12.268 -8.004 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.469 11.993 -6.821 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.057 13.370 -8.410 1.00 0.00 N ATOM 0 H ASN A 49 7.871 9.060 -9.769 1.00 0.00 H new ATOM 0 HA ASN A 49 7.206 10.230 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.615 10.815 -9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.255 11.911 -9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.489 14.000 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.071 13.601 -9.403 1.00 0.00 H new ATOM 720 N ASP A 50 4.903 10.743 -9.549 1.00 0.00 N ATOM 721 CA ASP A 50 3.476 11.155 -9.678 1.00 0.00 C ATOM 722 C ASP A 50 2.566 10.129 -8.998 1.00 0.00 C ATOM 723 O ASP A 50 1.632 10.477 -8.304 1.00 0.00 O ATOM 724 CB ASP A 50 3.211 11.194 -11.183 1.00 0.00 C ATOM 725 CG ASP A 50 2.611 12.549 -11.562 1.00 0.00 C ATOM 726 OD1 ASP A 50 1.481 12.803 -11.178 1.00 0.00 O ATOM 727 OD2 ASP A 50 3.292 13.311 -12.229 1.00 0.00 O ATOM 0 H ASP A 50 5.355 10.464 -10.420 1.00 0.00 H new ATOM 0 HA ASP A 50 3.278 12.117 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.139 11.030 -11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.529 10.391 -11.464 1.00 0.00 H new ATOM 732 N LEU A 51 2.832 8.866 -9.192 1.00 0.00 N ATOM 733 CA LEU A 51 1.981 7.818 -8.558 1.00 0.00 C ATOM 734 C LEU A 51 1.904 8.045 -7.046 1.00 0.00 C ATOM 735 O LEU A 51 0.840 8.025 -6.458 1.00 0.00 O ATOM 736 CB LEU A 51 2.684 6.497 -8.867 1.00 0.00 C ATOM 737 CG LEU A 51 2.135 5.919 -10.173 1.00 0.00 C ATOM 738 CD1 LEU A 51 2.988 4.724 -10.601 1.00 0.00 C ATOM 739 CD2 LEU A 51 0.690 5.463 -9.960 1.00 0.00 C ATOM 0 H LEU A 51 3.601 8.514 -9.762 1.00 0.00 H new ATOM 0 HA LEU A 51 0.958 7.832 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.759 6.656 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.529 5.791 -8.051 1.00 0.00 H new ATOM 0 HG LEU A 51 2.165 6.683 -10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.597 4.312 -11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.018 5.048 -10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.958 3.959 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.298 5.051 -10.890 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.660 4.699 -9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.081 6.314 -9.655 1.00 0.00 H new ATOM 751 N MET A 52 3.024 8.260 -6.410 1.00 0.00 N ATOM 752 CA MET A 52 3.014 8.488 -4.936 1.00 0.00 C ATOM 753 C MET A 52 2.580 9.923 -4.626 1.00 0.00 C ATOM 754 O MET A 52 1.847 10.172 -3.691 1.00 0.00 O ATOM 755 CB MET A 52 4.457 8.254 -4.489 1.00 0.00 C ATOM 756 CG MET A 52 4.907 6.857 -4.924 1.00 0.00 C ATOM 757 SD MET A 52 5.234 5.845 -3.459 1.00 0.00 S ATOM 758 CE MET A 52 3.646 4.981 -3.422 1.00 0.00 C ATOM 0 H MET A 52 3.945 8.288 -6.847 1.00 0.00 H new ATOM 0 HA MET A 52 2.317 7.828 -4.420 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.111 9.010 -4.924 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.534 8.351 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.137 6.390 -5.537 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.805 6.927 -5.538 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.798 3.954 -3.090 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.971 5.489 -2.733 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.210 4.979 -4.421 1.00 0.00 H new ATOM 768 N ASN A 53 3.030 10.869 -5.404 1.00 0.00 N ATOM 769 CA ASN A 53 2.643 12.287 -5.153 1.00 0.00 C ATOM 770 C ASN A 53 1.120 12.437 -5.202 1.00 0.00 C ATOM 771 O ASN A 53 0.563 13.383 -4.680 1.00 0.00 O ATOM 772 CB ASN A 53 3.297 13.083 -6.283 1.00 0.00 C ATOM 773 CG ASN A 53 4.731 13.443 -5.892 1.00 0.00 C ATOM 774 OD1 ASN A 53 5.076 13.432 -4.727 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.588 13.765 -6.823 1.00 0.00 N ATOM 0 H ASN A 53 3.648 10.722 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 53 2.964 12.634 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.296 12.497 -7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.725 13.989 -6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.547 14.007 -6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.299 13.774 -7.801 1.00 0.00 H new ATOM 782 N GLU A 54 0.444 11.511 -5.824 1.00 0.00 N ATOM 783 CA GLU A 54 -1.042 11.601 -5.905 1.00 0.00 C ATOM 784 C GLU A 54 -1.681 10.911 -4.696 1.00 0.00 C ATOM 785 O GLU A 54 -2.885 10.915 -4.532 1.00 0.00 O ATOM 786 CB GLU A 54 -1.413 10.871 -7.197 1.00 0.00 C ATOM 787 CG GLU A 54 -0.712 11.539 -8.380 1.00 0.00 C ATOM 788 CD GLU A 54 -1.703 12.441 -9.118 1.00 0.00 C ATOM 789 OE1 GLU A 54 -2.832 12.018 -9.305 1.00 0.00 O ATOM 790 OE2 GLU A 54 -1.317 13.539 -9.483 1.00 0.00 O ATOM 0 H GLU A 54 0.855 10.696 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.394 12.633 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.120 9.823 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.493 10.892 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.138 12.125 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.319 10.782 -9.058 1.00 0.00 H new ATOM 797 N ILE A 55 -0.883 10.321 -3.848 1.00 0.00 N ATOM 798 CA ILE A 55 -1.446 9.633 -2.651 1.00 0.00 C ATOM 799 C ILE A 55 -0.617 9.971 -1.409 1.00 0.00 C ATOM 800 O ILE A 55 -1.149 10.223 -0.346 1.00 0.00 O ATOM 801 CB ILE A 55 -1.350 8.142 -2.970 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.929 7.333 -1.807 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.117 7.756 -3.176 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.590 5.853 -1.993 1.00 0.00 C ATOM 0 H ILE A 55 0.133 10.286 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.471 9.940 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.913 7.929 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.523 7.694 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.010 7.466 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.185 6.692 -3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.532 8.331 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.680 7.969 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.003 5.278 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.018 5.497 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.507 5.728 -2.017 1.00 0.00 H new ATOM 816 N ASP A 56 0.681 9.979 -1.535 1.00 0.00 N ATOM 817 CA ASP A 56 1.543 10.301 -0.361 1.00 0.00 C ATOM 818 C ASP A 56 1.168 11.671 0.210 1.00 0.00 C ATOM 819 O ASP A 56 1.150 12.663 -0.491 1.00 0.00 O ATOM 820 CB ASP A 56 2.970 10.321 -0.909 1.00 0.00 C ATOM 821 CG ASP A 56 3.956 10.537 0.240 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.160 9.606 1.002 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.491 11.629 0.338 1.00 0.00 O ATOM 0 H ASP A 56 1.183 9.777 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 56 1.427 9.578 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.188 9.382 -1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.076 11.116 -1.647 1.00 0.00 H new ATOM 828 N VAL A 57 0.869 11.734 1.480 1.00 0.00 N ATOM 829 CA VAL A 57 0.496 13.040 2.094 1.00 0.00 C ATOM 830 C VAL A 57 1.754 13.824 2.477 1.00 0.00 C ATOM 831 O VAL A 57 1.793 15.035 2.392 1.00 0.00 O ATOM 832 CB VAL A 57 -0.309 12.676 3.341 1.00 0.00 C ATOM 833 CG1 VAL A 57 -1.037 13.917 3.861 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.334 11.596 2.987 1.00 0.00 C ATOM 0 H VAL A 57 0.867 10.938 2.118 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.074 13.669 1.410 1.00 0.00 H new ATOM 0 HB VAL A 57 0.365 12.302 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.611 13.656 4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.308 14.688 4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.711 14.292 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.909 11.335 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.007 11.972 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.817 10.711 2.617 1.00 0.00 H new ATOM 844 N ASP A 58 2.784 13.141 2.897 1.00 0.00 N ATOM 845 CA ASP A 58 4.039 13.848 3.284 1.00 0.00 C ATOM 846 C ASP A 58 5.259 13.001 2.912 1.00 0.00 C ATOM 847 O ASP A 58 6.272 13.512 2.479 1.00 0.00 O ATOM 848 CB ASP A 58 3.946 14.017 4.801 1.00 0.00 C ATOM 849 CG ASP A 58 3.495 12.701 5.436 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.303 12.443 5.437 1.00 0.00 O ATOM 851 OD2 ASP A 58 4.351 11.972 5.910 1.00 0.00 O ATOM 0 H ASP A 58 2.811 12.126 2.989 1.00 0.00 H new ATOM 0 HA ASP A 58 4.149 14.805 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.914 14.314 5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.241 14.811 5.046 1.00 0.00 H new ATOM 856 N GLY A 59 5.170 11.710 3.080 1.00 0.00 N ATOM 857 CA GLY A 59 6.325 10.832 2.737 1.00 0.00 C ATOM 858 C GLY A 59 6.059 9.415 3.248 1.00 0.00 C ATOM 859 O GLY A 59 6.467 8.442 2.645 1.00 0.00 O ATOM 0 H GLY A 59 4.348 11.225 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.477 10.818 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.239 11.225 3.182 1.00 0.00 H new ATOM 863 N ASN A 60 5.379 9.291 4.354 1.00 0.00 N ATOM 864 CA ASN A 60 5.089 7.936 4.902 1.00 0.00 C ATOM 865 C ASN A 60 3.588 7.783 5.168 1.00 0.00 C ATOM 866 O ASN A 60 2.917 8.722 5.545 1.00 0.00 O ATOM 867 CB ASN A 60 5.875 7.861 6.212 1.00 0.00 C ATOM 868 CG ASN A 60 7.167 7.073 5.988 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.201 5.873 6.179 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.239 7.700 5.588 1.00 0.00 N ATOM 0 H ASN A 60 5.012 10.069 4.902 1.00 0.00 H new ATOM 0 HA ASN A 60 5.372 7.142 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.106 8.865 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.273 7.380 6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.105 7.183 5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.211 8.707 5.428 1.00 0.00 H new ATOM 877 N HIS A 61 3.058 6.607 4.973 1.00 0.00 N ATOM 878 CA HIS A 61 1.602 6.397 5.214 1.00 0.00 C ATOM 879 C HIS A 61 1.233 4.928 4.984 1.00 0.00 C ATOM 880 O HIS A 61 2.030 4.146 4.505 1.00 0.00 O ATOM 881 CB HIS A 61 0.898 7.294 4.196 1.00 0.00 C ATOM 882 CG HIS A 61 1.046 6.706 2.819 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.992 5.736 2.527 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.373 6.939 1.644 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.863 5.424 1.224 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.891 6.128 0.639 1.00 0.00 N ATOM 0 H HIS A 61 3.569 5.783 4.657 1.00 0.00 H new ATOM 0 HA HIS A 61 1.314 6.639 6.237 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.158 7.391 4.450 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.325 8.296 4.222 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.663 5.332 3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.435 7.644 1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.472 4.693 0.713 1.00 0.00 H new ATOM 894 N GLN A 62 0.031 4.549 5.319 1.00 0.00 N ATOM 895 CA GLN A 62 -0.387 3.132 5.117 1.00 0.00 C ATOM 896 C GLN A 62 -1.316 3.024 3.904 1.00 0.00 C ATOM 897 O GLN A 62 -2.478 3.374 3.967 1.00 0.00 O ATOM 898 CB GLN A 62 -1.130 2.752 6.398 1.00 0.00 C ATOM 899 CG GLN A 62 -0.135 2.202 7.422 1.00 0.00 C ATOM 900 CD GLN A 62 -0.893 1.451 8.519 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.367 0.535 9.119 1.00 0.00 O ATOM 902 NE2 GLN A 62 -2.115 1.805 8.809 1.00 0.00 N ATOM 0 H GLN A 62 -0.680 5.158 5.724 1.00 0.00 H new ATOM 0 HA GLN A 62 0.461 2.473 4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.643 3.623 6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.894 2.005 6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.574 1.534 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.443 3.017 7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.556 2.574 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.629 1.313 9.540 1.00 0.00 H new ATOM 911 N ILE A 63 -0.813 2.542 2.801 1.00 0.00 N ATOM 912 CA ILE A 63 -1.667 2.415 1.586 1.00 0.00 C ATOM 913 C ILE A 63 -2.707 1.309 1.783 1.00 0.00 C ATOM 914 O ILE A 63 -2.477 0.344 2.484 1.00 0.00 O ATOM 915 CB ILE A 63 -0.701 2.045 0.460 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.317 3.172 0.275 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.482 1.845 -0.839 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.261 2.823 -0.878 1.00 0.00 C ATOM 0 H ILE A 63 0.152 2.231 2.688 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.215 3.332 1.370 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.181 1.122 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.197 4.110 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.886 3.317 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.793 1.581 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.209 1.043 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.002 2.768 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.986 3.626 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.785 1.894 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.685 2.700 -1.795 1.00 0.00 H new ATOM 930 N GLU A 64 -3.851 1.442 1.169 1.00 0.00 N ATOM 931 CA GLU A 64 -4.905 0.398 1.320 1.00 0.00 C ATOM 932 C GLU A 64 -5.108 -0.343 -0.004 1.00 0.00 C ATOM 933 O GLU A 64 -5.262 0.261 -1.047 1.00 0.00 O ATOM 934 CB GLU A 64 -6.170 1.167 1.704 1.00 0.00 C ATOM 935 CG GLU A 64 -5.875 2.069 2.904 1.00 0.00 C ATOM 936 CD GLU A 64 -7.043 3.033 3.118 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.035 2.613 3.691 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.927 4.175 2.705 1.00 0.00 O ATOM 0 H GLU A 64 -4.102 2.228 0.569 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.641 -0.352 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.514 1.766 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.972 0.470 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.721 1.464 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.955 2.628 2.735 1.00 0.00 H new ATOM 945 N PHE A 65 -5.106 -1.647 0.029 1.00 0.00 N ATOM 946 CA PHE A 65 -5.298 -2.425 -1.229 1.00 0.00 C ATOM 947 C PHE A 65 -6.411 -1.799 -2.075 1.00 0.00 C ATOM 948 O PHE A 65 -6.357 -1.804 -3.289 1.00 0.00 O ATOM 949 CB PHE A 65 -5.696 -3.828 -0.772 1.00 0.00 C ATOM 950 CG PHE A 65 -5.819 -4.734 -1.973 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.766 -4.826 -2.890 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.986 -5.481 -2.170 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.880 -5.666 -4.005 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.100 -6.321 -3.284 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.047 -6.413 -4.201 1.00 0.00 C ATOM 0 H PHE A 65 -4.980 -2.208 0.872 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.400 -2.438 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.951 -4.222 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.643 -3.791 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.866 -4.249 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.799 -5.409 -1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.068 -5.737 -4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.000 -6.898 -3.436 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.135 -7.061 -5.061 1.00 0.00 H new ATOM 965 N SER A 66 -7.419 -1.263 -1.443 1.00 0.00 N ATOM 966 CA SER A 66 -8.532 -0.638 -2.212 1.00 0.00 C ATOM 967 C SER A 66 -8.009 0.536 -3.044 1.00 0.00 C ATOM 968 O SER A 66 -7.718 0.398 -4.216 1.00 0.00 O ATOM 969 CB SER A 66 -9.518 -0.148 -1.153 1.00 0.00 C ATOM 970 OG SER A 66 -10.094 -1.268 -0.493 1.00 0.00 O ATOM 0 H SER A 66 -7.520 -1.231 -0.429 1.00 0.00 H new ATOM 0 HA SER A 66 -8.995 -1.337 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.007 0.490 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.298 0.456 -1.617 1.00 0.00 H new ATOM 0 HG SER A 66 -10.726 -0.957 0.188 1.00 0.00 H new ATOM 976 N GLU A 67 -7.887 1.690 -2.447 1.00 0.00 N ATOM 977 CA GLU A 67 -7.382 2.872 -3.205 1.00 0.00 C ATOM 978 C GLU A 67 -6.185 2.471 -4.070 1.00 0.00 C ATOM 979 O GLU A 67 -6.065 2.879 -5.209 1.00 0.00 O ATOM 980 CB GLU A 67 -6.960 3.878 -2.134 1.00 0.00 C ATOM 981 CG GLU A 67 -5.989 3.211 -1.158 1.00 0.00 C ATOM 982 CD GLU A 67 -4.553 3.433 -1.633 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.380 3.798 -2.785 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.649 3.236 -0.838 1.00 0.00 O ATOM 0 H GLU A 67 -8.115 1.866 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.134 3.286 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.487 4.743 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.836 4.243 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.120 3.625 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.200 2.144 -1.091 1.00 0.00 H new ATOM 991 N PHE A 68 -5.297 1.675 -3.540 1.00 0.00 N ATOM 992 CA PHE A 68 -4.109 1.248 -4.334 1.00 0.00 C ATOM 993 C PHE A 68 -4.531 0.884 -5.760 1.00 0.00 C ATOM 994 O PHE A 68 -4.089 1.482 -6.721 1.00 0.00 O ATOM 995 CB PHE A 68 -3.565 0.019 -3.601 1.00 0.00 C ATOM 996 CG PHE A 68 -2.625 -0.739 -4.510 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.891 -0.054 -5.486 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.490 -2.125 -4.377 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.022 -0.756 -6.329 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.621 -2.827 -5.220 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.887 -2.143 -6.196 1.00 0.00 C ATOM 0 H PHE A 68 -5.342 1.302 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.360 2.036 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.042 0.325 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.387 -0.626 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.995 1.016 -5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.056 -2.653 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.456 -0.228 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.517 -3.897 -5.117 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.217 -2.685 -6.846 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.381 -0.096 -5.904 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.830 -0.500 -7.266 1.00 0.00 C ATOM 1013 C LEU A 69 -6.799 0.539 -7.834 1.00 0.00 C ATOM 1014 O LEU A 69 -6.649 0.996 -8.950 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.534 -1.843 -7.066 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.546 -2.983 -7.323 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.238 -2.705 -6.580 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.145 -4.298 -6.821 1.00 0.00 C ATOM 0 H LEU A 69 -5.784 -0.634 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.002 -0.575 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.928 -1.911 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.383 -1.924 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.348 -3.056 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.535 -3.518 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.810 -1.768 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.436 -2.631 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.442 -5.111 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.343 -4.223 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.077 -4.499 -7.350 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.789 0.920 -7.074 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.761 1.933 -7.575 1.00 0.00 C ATOM 1032 C ALA A 70 -8.015 3.071 -8.276 1.00 0.00 C ATOM 1033 O ALA A 70 -8.546 3.734 -9.145 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.476 2.448 -6.326 1.00 0.00 C ATOM 0 H ALA A 70 -7.967 0.575 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.461 1.516 -8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.211 3.201 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.980 1.620 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.748 2.891 -5.647 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.785 3.301 -7.904 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.000 4.392 -8.547 1.00 0.00 C ATOM 1042 C LEU A 71 -5.042 3.808 -9.588 1.00 0.00 C ATOM 1043 O LEU A 71 -4.734 4.434 -10.582 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.218 5.043 -7.405 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.178 5.418 -6.274 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -5.405 5.510 -4.957 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.822 6.773 -6.582 1.00 0.00 C ATOM 0 H LEU A 71 -6.289 2.779 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.636 5.109 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.455 4.357 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.700 5.932 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.953 4.656 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.089 5.777 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.944 4.547 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.630 6.272 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.506 7.042 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.046 7.534 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.373 6.709 -7.520 1.00 0.00 H new ATOM 1059 N MET A 72 -4.570 2.613 -9.366 1.00 0.00 N ATOM 1060 CA MET A 72 -3.631 1.986 -10.342 1.00 0.00 C ATOM 1061 C MET A 72 -4.327 1.790 -11.692 1.00 0.00 C ATOM 1062 O MET A 72 -3.697 1.782 -12.730 1.00 0.00 O ATOM 1063 CB MET A 72 -3.264 0.636 -9.725 1.00 0.00 C ATOM 1064 CG MET A 72 -1.746 0.544 -9.562 1.00 0.00 C ATOM 1065 SD MET A 72 -0.989 0.149 -11.157 1.00 0.00 S ATOM 1066 CE MET A 72 -0.159 1.736 -11.415 1.00 0.00 C ATOM 0 H MET A 72 -4.793 2.042 -8.551 1.00 0.00 H new ATOM 0 HA MET A 72 -2.751 2.602 -10.526 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.752 0.522 -8.757 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.622 -0.175 -10.359 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.352 1.488 -9.185 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.494 -0.222 -8.829 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.720 2.326 -12.139 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.106 2.276 -10.470 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.849 1.562 -11.791 1.00 0.00 H new ATOM 1076 N SER A 73 -5.623 1.630 -11.685 1.00 0.00 N ATOM 1077 CA SER A 73 -6.357 1.434 -12.968 1.00 0.00 C ATOM 1078 C SER A 73 -6.205 2.669 -13.859 1.00 0.00 C ATOM 1079 O SER A 73 -6.539 2.650 -15.026 1.00 0.00 O ATOM 1080 CB SER A 73 -7.818 1.241 -12.563 1.00 0.00 C ATOM 1081 OG SER A 73 -8.138 -0.143 -12.606 1.00 0.00 O ATOM 0 H SER A 73 -6.205 1.627 -10.847 1.00 0.00 H new ATOM 0 HA SER A 73 -5.976 0.585 -13.536 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.984 1.634 -11.560 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.470 1.798 -13.235 1.00 0.00 H new ATOM 0 HG SER A 73 -9.074 -0.271 -12.345 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.702 3.745 -13.317 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.530 4.981 -14.133 1.00 0.00 C ATOM 1089 C ARG A 74 -4.289 4.858 -15.021 1.00 0.00 C ATOM 1090 O ARG A 74 -4.262 5.340 -16.138 1.00 0.00 O ATOM 1091 CB ARG A 74 -5.351 6.107 -13.115 1.00 0.00 C ATOM 1092 CG ARG A 74 -5.004 7.406 -13.844 1.00 0.00 C ATOM 1093 CD ARG A 74 -4.341 8.379 -12.868 1.00 0.00 C ATOM 1094 NE ARG A 74 -5.461 9.178 -12.301 1.00 0.00 N ATOM 1095 CZ ARG A 74 -5.627 10.421 -12.666 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -4.726 11.316 -12.363 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -6.692 10.769 -13.334 1.00 0.00 N ATOM 0 H ARG A 74 -5.403 3.822 -12.345 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.378 5.161 -14.794 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.265 6.236 -12.536 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.560 5.851 -12.410 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.334 7.199 -14.679 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.906 7.853 -14.262 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.800 7.846 -12.086 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.619 9.017 -13.377 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.099 8.755 -11.627 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.893 11.044 -11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.855 12.287 -12.648 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.396 10.070 -13.572 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.821 11.740 -13.619 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.261 4.217 -14.536 1.00 0.00 N ATOM 1112 CA GLN A 75 -2.023 4.065 -15.354 1.00 0.00 C ATOM 1113 C GLN A 75 -1.612 2.592 -15.422 1.00 0.00 C ATOM 1114 O GLN A 75 -0.456 2.267 -15.607 1.00 0.00 O ATOM 1115 CB GLN A 75 -0.961 4.885 -14.621 1.00 0.00 C ATOM 1116 CG GLN A 75 0.200 5.183 -15.572 1.00 0.00 C ATOM 1117 CD GLN A 75 -0.232 6.240 -16.590 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -1.081 5.987 -17.421 1.00 0.00 O ATOM 1119 NE2 GLN A 75 0.321 7.421 -16.560 1.00 0.00 N ATOM 0 H GLN A 75 -3.224 3.792 -13.609 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.162 4.403 -16.381 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.394 5.816 -14.255 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.600 4.337 -13.750 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.064 5.537 -15.009 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.506 4.272 -16.086 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.034 7.633 -15.862 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.041 8.133 -17.235 1.00 0.00 H new ATOM 1128 N LEU A 76 -2.551 1.698 -15.274 1.00 0.00 N ATOM 1129 CA LEU A 76 -2.214 0.246 -15.330 1.00 0.00 C ATOM 1130 C LEU A 76 -1.265 -0.031 -16.500 1.00 0.00 C ATOM 1131 O LEU A 76 -0.207 -0.603 -16.331 1.00 0.00 O ATOM 1132 CB LEU A 76 -3.551 -0.464 -15.544 1.00 0.00 C ATOM 1133 CG LEU A 76 -3.460 -1.896 -15.012 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.796 -1.909 -13.520 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -4.454 -2.782 -15.766 1.00 0.00 C ATOM 0 H LEU A 76 -3.536 1.909 -15.117 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.712 -0.097 -14.425 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.347 0.076 -15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.804 -0.474 -16.604 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.449 -2.275 -15.159 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.731 -2.929 -13.141 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.089 -1.277 -12.982 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.807 -1.530 -13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.391 -3.803 -15.389 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.465 -2.402 -15.618 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.215 -2.773 -16.830 1.00 0.00 H new ATOM 1147 N LYS A 77 -1.636 0.370 -17.685 1.00 0.00 N ATOM 1148 CA LYS A 77 -0.756 0.129 -18.863 1.00 0.00 C ATOM 1149 C LYS A 77 -0.944 1.241 -19.900 1.00 0.00 C ATOM 1150 O LYS A 77 -2.079 1.621 -20.132 1.00 0.00 O ATOM 1151 CB LYS A 77 -1.213 -1.216 -19.430 1.00 0.00 C ATOM 1152 CG LYS A 77 -0.081 -1.833 -20.256 1.00 0.00 C ATOM 1153 CD LYS A 77 -0.452 -1.794 -21.739 1.00 0.00 C ATOM 1154 CE LYS A 77 0.745 -2.250 -22.577 1.00 0.00 C ATOM 1155 NZ LYS A 77 0.149 -2.878 -23.789 1.00 0.00 N ATOM 1156 OXT LYS A 77 0.051 1.691 -20.444 1.00 0.00 O ATOM 0 H LYS A 77 -2.510 0.854 -17.888 1.00 0.00 H new ATOM 0 HA LYS A 77 0.300 0.120 -18.595 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.494 -1.888 -18.619 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.098 -1.079 -20.051 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.846 -1.286 -20.088 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.094 -2.862 -19.941 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.309 -2.441 -21.928 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.746 -0.784 -22.025 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.385 -1.408 -22.842 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.364 -2.960 -22.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.908 -3.216 -24.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.449 -3.680 -23.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.429 -2.177 -24.295 1.00 0.00 H new TER 1170 LYS A 77