USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=21 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 173:sc= -1.54 (180deg=-1.64) USER MOD Set 1.2: A 72 MET CE :methyl -159:sc= -3.72! (180deg=-4.13!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.191 K(o=-0.46,f=-1.3) USER MOD Set 2.2: A 53 ASN : amide:sc= -0.27 X(o=-0.46,f=-0.96) USER MOD Set 3.1: A 28 SER OG : rot -127:sc= 0.554 USER MOD Set 3.2: A 60 ASN : amide:sc= 0.504 K(o=1.1,f=-7.8!) USER MOD Set 4.1: A 5 THR OG1 : rot 88:sc= -1.09! USER MOD Set 4.2: A 8 GLN : amide:sc= 0.013 K(o=-1.1,f=-4.1!) USER MOD Single : A 1 SER N :NH3+ 155:sc= 0.0121 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= 0.522 (180deg=0.215) USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= -0.0756 (180deg=-0.612) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.6!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.038 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0352 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 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc=0.000925 USER MOD Single : A 52 MET CE :methyl -121:sc= -6.68! (180deg=-7.89!) USER MOD Single : A 61 HIS : no HE2:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 62 GLN : amide:sc= -4.15! K(o=-4.1!,f=-2.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0599 USER MOD Single : A 75 GLN : amide:sc= -0.402 K(o=-0.4,f=-3.5!) USER MOD Single : A 77 LYS NZ :NH3+ -118:sc= -0.0731 (180deg=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.622 -7.516 -18.588 1.00 0.00 N ATOM 2 CA SER A 1 -14.942 -6.080 -18.835 1.00 0.00 C ATOM 3 C SER A 1 -13.754 -5.198 -18.441 1.00 0.00 C ATOM 4 O SER A 1 -12.997 -5.524 -17.548 1.00 0.00 O ATOM 5 CB SER A 1 -16.148 -5.785 -17.945 1.00 0.00 C ATOM 6 OG SER A 1 -16.008 -4.489 -17.379 1.00 0.00 O ATOM 0 H1 SER A 1 -15.504 -8.048 -18.444 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.113 -7.904 -19.408 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.026 -7.598 -17.740 1.00 0.00 H new ATOM 0 HA SER A 1 -15.152 -5.878 -19.885 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.067 -5.843 -18.528 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.224 -6.533 -17.156 1.00 0.00 H new ATOM 0 HG SER A 1 -16.781 -4.296 -16.808 1.00 0.00 H new ATOM 14 N SER A 2 -13.586 -4.084 -19.099 1.00 0.00 N ATOM 15 CA SER A 2 -12.447 -3.183 -18.761 1.00 0.00 C ATOM 16 C SER A 2 -11.124 -3.947 -18.849 1.00 0.00 C ATOM 17 O SER A 2 -11.048 -5.013 -19.429 1.00 0.00 O ATOM 18 CB SER A 2 -12.711 -2.732 -17.325 1.00 0.00 C ATOM 19 OG SER A 2 -12.722 -1.312 -17.273 1.00 0.00 O ATOM 0 H SER A 2 -14.188 -3.758 -19.856 1.00 0.00 H new ATOM 0 HA SER A 2 -12.372 -2.338 -19.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.665 -3.127 -16.977 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.942 -3.126 -16.661 1.00 0.00 H new ATOM 0 HG SER A 2 -12.893 -1.020 -16.353 1.00 0.00 H new ATOM 25 N ASN A 3 -10.079 -3.412 -18.279 1.00 0.00 N ATOM 26 CA ASN A 3 -8.762 -4.109 -18.330 1.00 0.00 C ATOM 27 C ASN A 3 -8.583 -4.993 -17.093 1.00 0.00 C ATOM 28 O ASN A 3 -7.684 -5.809 -17.026 1.00 0.00 O ATOM 29 CB ASN A 3 -7.722 -2.988 -18.345 1.00 0.00 C ATOM 30 CG ASN A 3 -6.412 -3.515 -18.934 1.00 0.00 C ATOM 31 OD1 ASN A 3 -6.138 -3.326 -20.103 1.00 0.00 O ATOM 32 ND2 ASN A 3 -5.584 -4.174 -18.169 1.00 0.00 N ATOM 0 H ASN A 3 -10.080 -2.522 -17.780 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.672 -4.760 -19.200 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.086 -2.147 -18.935 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.555 -2.618 -17.333 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.708 -4.530 -18.553 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.813 -4.333 -17.188 1.00 0.00 H new ATOM 39 N LEU A 4 -9.430 -4.837 -16.112 1.00 0.00 N ATOM 40 CA LEU A 4 -9.306 -5.668 -14.881 1.00 0.00 C ATOM 41 C LEU A 4 -10.493 -6.631 -14.772 1.00 0.00 C ATOM 42 O LEU A 4 -11.466 -6.517 -15.490 1.00 0.00 O ATOM 43 CB LEU A 4 -9.319 -4.668 -13.725 1.00 0.00 C ATOM 44 CG LEU A 4 -8.277 -5.080 -12.682 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.877 -4.976 -13.289 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.376 -4.149 -11.471 1.00 0.00 C ATOM 0 H LEU A 4 -10.202 -4.170 -16.110 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.402 -6.277 -14.883 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.103 -3.666 -14.095 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.309 -4.633 -13.271 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.462 -6.108 -12.370 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.136 -5.269 -12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.805 -5.636 -14.153 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.691 -3.948 -13.601 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.635 -4.440 -10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.190 -3.122 -11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.373 -4.221 -11.037 1.00 0.00 H new ATOM 58 N THR A 5 -10.418 -7.578 -13.877 1.00 0.00 N ATOM 59 CA THR A 5 -11.541 -8.548 -13.722 1.00 0.00 C ATOM 60 C THR A 5 -11.419 -9.285 -12.385 1.00 0.00 C ATOM 61 O THR A 5 -10.696 -8.869 -11.501 1.00 0.00 O ATOM 62 CB THR A 5 -11.387 -9.526 -14.888 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.554 -8.948 -15.883 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.762 -9.833 -15.485 1.00 0.00 C ATOM 0 H THR A 5 -9.629 -7.722 -13.247 1.00 0.00 H new ATOM 0 HA THR A 5 -12.514 -8.057 -13.729 1.00 0.00 H new ATOM 0 HB THR A 5 -10.935 -10.451 -14.529 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.617 -9.157 -15.687 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.651 -10.530 -16.316 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.399 -10.278 -14.721 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.217 -8.910 -15.844 1.00 0.00 H new ATOM 72 N GLU A 6 -12.119 -10.375 -12.230 1.00 0.00 N ATOM 73 CA GLU A 6 -12.040 -11.134 -10.949 1.00 0.00 C ATOM 74 C GLU A 6 -10.654 -11.768 -10.797 1.00 0.00 C ATOM 75 O GLU A 6 -10.052 -11.724 -9.743 1.00 0.00 O ATOM 76 CB GLU A 6 -13.118 -12.213 -11.057 1.00 0.00 C ATOM 77 CG GLU A 6 -12.802 -13.139 -12.232 1.00 0.00 C ATOM 78 CD GLU A 6 -14.059 -13.920 -12.621 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.995 -13.926 -11.838 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.064 -14.499 -13.695 1.00 0.00 O ATOM 0 H GLU A 6 -12.741 -10.773 -12.933 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.194 -10.495 -10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.166 -12.787 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.096 -11.752 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.446 -12.557 -13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.003 -13.828 -11.960 1.00 0.00 H new ATOM 87 N GLU A 7 -10.142 -12.354 -11.845 1.00 0.00 N ATOM 88 CA GLU A 7 -8.794 -12.986 -11.759 1.00 0.00 C ATOM 89 C GLU A 7 -7.714 -11.903 -11.686 1.00 0.00 C ATOM 90 O GLU A 7 -6.716 -12.053 -11.009 1.00 0.00 O ATOM 91 CB GLU A 7 -8.653 -13.801 -13.045 1.00 0.00 C ATOM 92 CG GLU A 7 -8.636 -15.293 -12.705 1.00 0.00 C ATOM 93 CD GLU A 7 -7.198 -15.738 -12.438 1.00 0.00 C ATOM 94 OE1 GLU A 7 -6.521 -16.093 -13.388 1.00 0.00 O ATOM 95 OE2 GLU A 7 -6.798 -15.719 -11.284 1.00 0.00 O ATOM 0 H GLU A 7 -10.597 -12.423 -12.755 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.683 -13.609 -10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.480 -13.581 -13.720 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.735 -13.525 -13.564 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.256 -15.484 -11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.060 -15.869 -13.527 1.00 0.00 H new ATOM 102 N GLN A 8 -7.909 -10.812 -12.375 1.00 0.00 N ATOM 103 CA GLN A 8 -6.896 -9.720 -12.339 1.00 0.00 C ATOM 104 C GLN A 8 -6.785 -9.162 -10.919 1.00 0.00 C ATOM 105 O GLN A 8 -5.732 -9.179 -10.315 1.00 0.00 O ATOM 106 CB GLN A 8 -7.427 -8.653 -13.298 1.00 0.00 C ATOM 107 CG GLN A 8 -6.293 -8.170 -14.203 1.00 0.00 C ATOM 108 CD GLN A 8 -6.496 -8.724 -15.615 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.594 -9.089 -15.985 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.475 -8.803 -16.425 1.00 0.00 N ATOM 0 H GLN A 8 -8.724 -10.630 -12.960 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.902 -10.063 -12.628 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.238 -9.062 -13.900 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.839 -7.815 -12.735 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.272 -7.080 -14.228 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.332 -8.498 -13.807 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.553 -8.497 -16.115 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.599 -9.171 -17.368 1.00 0.00 H new ATOM 119 N ILE A 9 -7.869 -8.673 -10.378 1.00 0.00 N ATOM 120 CA ILE A 9 -7.824 -8.122 -8.994 1.00 0.00 C ATOM 121 C ILE A 9 -7.250 -9.170 -8.038 1.00 0.00 C ATOM 122 O ILE A 9 -6.528 -8.852 -7.114 1.00 0.00 O ATOM 123 CB ILE A 9 -9.280 -7.813 -8.644 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.826 -6.764 -9.614 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.358 -7.273 -7.214 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.295 -6.484 -9.290 1.00 0.00 C ATOM 0 H ILE A 9 -8.781 -8.632 -10.834 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.193 -7.237 -8.916 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.873 -8.724 -8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.244 -5.845 -9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.730 -7.118 -10.641 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.396 -7.053 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.969 -8.019 -6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.765 -6.362 -7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.684 -5.736 -9.981 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.871 -7.404 -9.389 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.378 -6.112 -8.269 1.00 0.00 H new ATOM 138 N ALA A 10 -7.562 -10.418 -8.258 1.00 0.00 N ATOM 139 CA ALA A 10 -7.030 -11.488 -7.366 1.00 0.00 C ATOM 140 C ALA A 10 -5.503 -11.409 -7.310 1.00 0.00 C ATOM 141 O ALA A 10 -4.914 -11.315 -6.251 1.00 0.00 O ATOM 142 CB ALA A 10 -7.478 -12.799 -8.013 1.00 0.00 C ATOM 0 H ALA A 10 -8.162 -10.743 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.392 -11.396 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.125 -13.639 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.566 -12.824 -8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.062 -12.869 -9.018 1.00 0.00 H new ATOM 148 N GLU A 11 -4.856 -11.443 -8.443 1.00 0.00 N ATOM 149 CA GLU A 11 -3.368 -11.365 -8.453 1.00 0.00 C ATOM 150 C GLU A 11 -2.907 -10.087 -7.750 1.00 0.00 C ATOM 151 O GLU A 11 -1.870 -10.053 -7.117 1.00 0.00 O ATOM 152 CB GLU A 11 -2.982 -11.333 -9.933 1.00 0.00 C ATOM 153 CG GLU A 11 -2.545 -12.729 -10.377 1.00 0.00 C ATOM 154 CD GLU A 11 -3.595 -13.318 -11.323 1.00 0.00 C ATOM 155 OE1 GLU A 11 -4.142 -12.563 -12.110 1.00 0.00 O ATOM 156 OE2 GLU A 11 -3.833 -14.511 -11.244 1.00 0.00 O ATOM 0 H GLU A 11 -5.293 -11.521 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.905 -12.202 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.828 -10.997 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.174 -10.619 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.578 -12.677 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.420 -13.375 -9.508 1.00 0.00 H new ATOM 163 N PHE A 12 -3.673 -9.035 -7.852 1.00 0.00 N ATOM 164 CA PHE A 12 -3.282 -7.760 -7.185 1.00 0.00 C ATOM 165 C PHE A 12 -3.299 -7.939 -5.665 1.00 0.00 C ATOM 166 O PHE A 12 -2.425 -7.470 -4.965 1.00 0.00 O ATOM 167 CB PHE A 12 -4.338 -6.743 -7.619 1.00 0.00 C ATOM 168 CG PHE A 12 -4.005 -6.223 -8.996 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.830 -7.118 -10.060 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.875 -4.846 -9.213 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.524 -6.636 -11.338 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.569 -4.364 -10.490 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.394 -5.259 -11.553 1.00 0.00 C ATOM 0 H PHE A 12 -4.552 -9.003 -8.368 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.277 -7.440 -7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.324 -7.207 -7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.377 -5.918 -6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.931 -8.180 -9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.011 -4.155 -8.394 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.388 -7.326 -12.158 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.468 -3.302 -10.656 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.159 -4.887 -12.539 1.00 0.00 H new ATOM 183 N LYS A 13 -4.290 -8.618 -5.150 1.00 0.00 N ATOM 184 CA LYS A 13 -4.360 -8.830 -3.677 1.00 0.00 C ATOM 185 C LYS A 13 -3.122 -9.590 -3.198 1.00 0.00 C ATOM 186 O LYS A 13 -2.430 -9.163 -2.294 1.00 0.00 O ATOM 187 CB LYS A 13 -5.622 -9.664 -3.455 1.00 0.00 C ATOM 188 CG LYS A 13 -5.600 -10.260 -2.046 1.00 0.00 C ATOM 189 CD LYS A 13 -5.634 -9.133 -1.013 1.00 0.00 C ATOM 190 CE LYS A 13 -7.083 -8.860 -0.601 1.00 0.00 C ATOM 191 NZ LYS A 13 -6.991 -7.814 0.455 1.00 0.00 N ATOM 0 H LYS A 13 -5.052 -9.034 -5.686 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.392 -7.891 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.508 -9.043 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.679 -10.460 -4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.455 -10.921 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.704 -10.865 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.042 -9.408 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.187 -8.230 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.676 -8.515 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.563 -9.763 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.819 -7.879 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.124 -7.958 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.965 -6.874 0.011 1.00 0.00 H new ATOM 205 N GLU A 14 -2.834 -10.712 -3.799 1.00 0.00 N ATOM 206 CA GLU A 14 -1.637 -11.495 -3.379 1.00 0.00 C ATOM 207 C GLU A 14 -0.397 -10.597 -3.387 1.00 0.00 C ATOM 208 O GLU A 14 0.462 -10.699 -2.534 1.00 0.00 O ATOM 209 CB GLU A 14 -1.502 -12.604 -4.422 1.00 0.00 C ATOM 210 CG GLU A 14 -2.090 -13.903 -3.865 1.00 0.00 C ATOM 211 CD GLU A 14 -1.513 -15.095 -4.631 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.054 -15.419 -5.677 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.541 -15.663 -4.161 1.00 0.00 O ATOM 0 H GLU A 14 -3.375 -11.120 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.736 -11.897 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.020 -12.321 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.453 -12.749 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.859 -13.993 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.176 -13.891 -3.955 1.00 0.00 H new ATOM 220 N ALA A 15 -0.302 -9.713 -4.342 1.00 0.00 N ATOM 221 CA ALA A 15 0.879 -8.805 -4.405 1.00 0.00 C ATOM 222 C ALA A 15 0.805 -7.768 -3.280 1.00 0.00 C ATOM 223 O ALA A 15 1.581 -7.795 -2.347 1.00 0.00 O ATOM 224 CB ALA A 15 0.782 -8.123 -5.770 1.00 0.00 C ATOM 0 H ALA A 15 -0.991 -9.580 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 15 1.821 -9.341 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.619 -7.436 -5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.812 -8.877 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.155 -7.569 -5.834 1.00 0.00 H new ATOM 230 N PHE A 16 -0.127 -6.857 -3.362 1.00 0.00 N ATOM 231 CA PHE A 16 -0.255 -5.820 -2.298 1.00 0.00 C ATOM 232 C PHE A 16 -0.077 -6.451 -0.914 1.00 0.00 C ATOM 233 O PHE A 16 0.672 -5.964 -0.091 1.00 0.00 O ATOM 234 CB PHE A 16 -1.671 -5.268 -2.458 1.00 0.00 C ATOM 235 CG PHE A 16 -1.892 -4.149 -1.469 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.527 -2.839 -1.803 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.463 -4.420 -0.221 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.734 -1.801 -0.886 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.671 -3.382 0.695 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.305 -2.072 0.363 1.00 0.00 C ATOM 0 H PHE A 16 -0.806 -6.786 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 16 0.502 -5.041 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.817 -4.903 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.402 -6.060 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.086 -2.629 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.744 -5.431 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.453 -0.790 -1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.114 -3.592 1.658 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.463 -1.271 1.070 1.00 0.00 H new ATOM 250 N ALA A 17 -0.762 -7.531 -0.653 1.00 0.00 N ATOM 251 CA ALA A 17 -0.634 -8.191 0.679 1.00 0.00 C ATOM 252 C ALA A 17 0.770 -8.780 0.850 1.00 0.00 C ATOM 253 O ALA A 17 1.289 -8.862 1.946 1.00 0.00 O ATOM 254 CB ALA A 17 -1.683 -9.302 0.673 1.00 0.00 C ATOM 0 H ALA A 17 -1.404 -7.985 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.785 -7.491 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.652 -9.837 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.673 -8.867 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.473 -9.996 -0.141 1.00 0.00 H new ATOM 260 N LEU A 18 1.387 -9.191 -0.223 1.00 0.00 N ATOM 261 CA LEU A 18 2.756 -9.775 -0.116 1.00 0.00 C ATOM 262 C LEU A 18 3.682 -8.821 0.643 1.00 0.00 C ATOM 263 O LEU A 18 4.668 -9.231 1.223 1.00 0.00 O ATOM 264 CB LEU A 18 3.228 -9.946 -1.561 1.00 0.00 C ATOM 265 CG LEU A 18 3.683 -11.390 -1.781 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.835 -11.654 -3.281 1.00 0.00 C ATOM 267 CD2 LEU A 18 5.029 -11.610 -1.088 1.00 0.00 C ATOM 0 H LEU A 18 1.005 -9.149 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 18 2.760 -10.719 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.421 -9.699 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.048 -9.259 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 18 2.942 -12.072 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.159 -12.683 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.878 -11.495 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.577 -10.972 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.355 -12.638 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.769 -10.928 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.923 -11.421 -0.020 1.00 0.00 H new ATOM 279 N PHE A 19 3.374 -7.553 0.646 1.00 0.00 N ATOM 280 CA PHE A 19 4.238 -6.578 1.371 1.00 0.00 C ATOM 281 C PHE A 19 3.443 -5.892 2.485 1.00 0.00 C ATOM 282 O PHE A 19 3.869 -4.902 3.046 1.00 0.00 O ATOM 283 CB PHE A 19 4.665 -5.560 0.313 1.00 0.00 C ATOM 284 CG PHE A 19 5.130 -6.285 -0.928 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.195 -6.725 -1.871 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.494 -6.515 -1.134 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.623 -7.396 -3.022 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.924 -7.187 -2.286 1.00 0.00 C ATOM 289 CZ PHE A 19 5.988 -7.627 -3.229 1.00 0.00 C ATOM 0 H PHE A 19 2.562 -7.150 0.178 1.00 0.00 H new ATOM 0 HA PHE A 19 5.095 -7.059 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.832 -4.901 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.466 -4.931 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.142 -6.547 -1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.215 -6.175 -0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.901 -7.735 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.977 -7.365 -2.446 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.319 -8.145 -4.117 1.00 0.00 H new ATOM 299 N ASP A 20 2.290 -6.411 2.810 1.00 0.00 N ATOM 300 CA ASP A 20 1.468 -5.787 3.886 1.00 0.00 C ATOM 301 C ASP A 20 2.268 -5.719 5.190 1.00 0.00 C ATOM 302 O ASP A 20 2.223 -6.618 6.005 1.00 0.00 O ATOM 303 CB ASP A 20 0.261 -6.711 4.046 1.00 0.00 C ATOM 304 CG ASP A 20 0.734 -8.101 4.473 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.929 -8.338 4.429 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.108 -8.906 4.836 1.00 0.00 O ATOM 0 H ASP A 20 1.882 -7.240 2.377 1.00 0.00 H new ATOM 0 HA ASP A 20 1.172 -4.767 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.425 -6.305 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.288 -6.775 3.107 1.00 0.00 H new ATOM 311 N LYS A 21 3.000 -4.657 5.393 1.00 0.00 N ATOM 312 CA LYS A 21 3.801 -4.532 6.644 1.00 0.00 C ATOM 313 C LYS A 21 2.873 -4.462 7.861 1.00 0.00 C ATOM 314 O LYS A 21 3.048 -5.175 8.829 1.00 0.00 O ATOM 315 CB LYS A 21 4.579 -3.225 6.488 1.00 0.00 C ATOM 316 CG LYS A 21 5.141 -2.799 7.845 1.00 0.00 C ATOM 317 CD LYS A 21 6.213 -3.795 8.291 1.00 0.00 C ATOM 318 CE LYS A 21 7.579 -3.105 8.305 1.00 0.00 C ATOM 319 NZ LYS A 21 7.495 -2.114 9.414 1.00 0.00 N ATOM 0 H LYS A 21 3.078 -3.871 4.747 1.00 0.00 H new ATOM 0 HA LYS A 21 4.463 -5.384 6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.390 -3.356 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.927 -2.446 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.566 -1.798 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.341 -2.755 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.977 -4.178 9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.233 -4.650 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.382 -3.822 8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.785 -2.616 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.433 -1.999 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.173 -1.199 9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.820 -2.451 10.130 1.00 0.00 H new ATOM 333 N ASP A 22 1.887 -3.609 7.818 1.00 0.00 N ATOM 334 CA ASP A 22 0.949 -3.495 8.971 1.00 0.00 C ATOM 335 C ASP A 22 0.140 -4.787 9.123 1.00 0.00 C ATOM 336 O ASP A 22 -0.557 -4.982 10.100 1.00 0.00 O ATOM 337 CB ASP A 22 0.030 -2.325 8.620 1.00 0.00 C ATOM 338 CG ASP A 22 0.803 -1.011 8.754 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.229 -0.706 9.855 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.956 -0.332 7.751 1.00 0.00 O ATOM 0 H ASP A 22 1.690 -2.986 7.035 1.00 0.00 H new ATOM 0 HA ASP A 22 1.471 -3.334 9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.346 -2.436 7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.837 -2.318 9.281 1.00 0.00 H new ATOM 345 N ASN A 23 0.226 -5.667 8.165 1.00 0.00 N ATOM 346 CA ASN A 23 -0.539 -6.945 8.255 1.00 0.00 C ATOM 347 C ASN A 23 -2.041 -6.658 8.331 1.00 0.00 C ATOM 348 O ASN A 23 -2.814 -7.467 8.803 1.00 0.00 O ATOM 349 CB ASN A 23 -0.053 -7.606 9.546 1.00 0.00 C ATOM 350 CG ASN A 23 0.782 -8.841 9.203 1.00 0.00 C ATOM 351 OD1 ASN A 23 1.979 -8.746 9.015 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.197 -10.004 9.113 1.00 0.00 N ATOM 0 H ASN A 23 0.792 -5.558 7.324 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.382 -7.583 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.542 -6.901 10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.904 -7.890 10.165 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.744 -10.834 8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.808 -10.083 9.271 1.00 0.00 H new ATOM 359 N ASN A 24 -2.460 -5.512 7.869 1.00 0.00 N ATOM 360 CA ASN A 24 -3.911 -5.174 7.915 1.00 0.00 C ATOM 361 C ASN A 24 -4.398 -4.743 6.528 1.00 0.00 C ATOM 362 O ASN A 24 -5.036 -3.720 6.375 1.00 0.00 O ATOM 363 CB ASN A 24 -4.018 -4.015 8.906 1.00 0.00 C ATOM 364 CG ASN A 24 -3.453 -4.447 10.261 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.361 -5.625 10.546 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.070 -3.538 11.114 1.00 0.00 N ATOM 0 H ASN A 24 -1.860 -4.795 7.461 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.523 -6.024 8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.470 -3.150 8.531 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.059 -3.711 9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.693 -3.816 12.020 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.147 -2.549 10.875 1.00 0.00 H new ATOM 373 N GLY A 25 -4.100 -5.514 5.519 1.00 0.00 N ATOM 374 CA GLY A 25 -4.545 -5.148 4.145 1.00 0.00 C ATOM 375 C GLY A 25 -4.072 -3.732 3.814 1.00 0.00 C ATOM 376 O GLY A 25 -4.650 -3.050 2.991 1.00 0.00 O ATOM 0 H GLY A 25 -3.568 -6.381 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.142 -5.856 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.631 -5.205 4.076 1.00 0.00 H new ATOM 380 N SER A 26 -3.024 -3.283 4.450 1.00 0.00 N ATOM 381 CA SER A 26 -2.515 -1.910 4.171 1.00 0.00 C ATOM 382 C SER A 26 -0.986 -1.922 4.072 1.00 0.00 C ATOM 383 O SER A 26 -0.304 -2.454 4.924 1.00 0.00 O ATOM 384 CB SER A 26 -2.968 -1.070 5.364 1.00 0.00 C ATOM 385 OG SER A 26 -2.722 -1.790 6.565 1.00 0.00 O ATOM 0 H SER A 26 -2.499 -3.807 5.150 1.00 0.00 H new ATOM 0 HA SER A 26 -2.891 -1.514 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.433 -0.121 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.029 -0.836 5.277 1.00 0.00 H new ATOM 0 HG SER A 26 -3.010 -1.253 7.333 1.00 0.00 H new ATOM 391 N ILE A 27 -0.445 -1.339 3.038 1.00 0.00 N ATOM 392 CA ILE A 27 1.038 -1.318 2.885 1.00 0.00 C ATOM 393 C ILE A 27 1.542 0.126 2.823 1.00 0.00 C ATOM 394 O ILE A 27 0.772 1.066 2.860 1.00 0.00 O ATOM 395 CB ILE A 27 1.310 -2.037 1.563 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.914 -1.129 0.396 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.491 -3.328 1.505 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.097 -1.880 -0.923 1.00 0.00 C ATOM 0 H ILE A 27 -0.965 -0.876 2.292 1.00 0.00 H new ATOM 0 HA ILE A 27 1.546 -1.797 3.722 1.00 0.00 H new ATOM 0 HB ILE A 27 2.371 -2.277 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.123 -0.812 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.526 -0.227 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.685 -3.840 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.774 -3.976 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.570 -3.089 1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.815 -1.232 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.141 -2.175 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.466 -2.769 -0.926 1.00 0.00 H new ATOM 410 N SER A 28 2.829 0.311 2.726 1.00 0.00 N ATOM 411 CA SER A 28 3.381 1.694 2.658 1.00 0.00 C ATOM 412 C SER A 28 3.768 2.032 1.216 1.00 0.00 C ATOM 413 O SER A 28 4.099 1.165 0.433 1.00 0.00 O ATOM 414 CB SER A 28 4.617 1.674 3.556 1.00 0.00 C ATOM 415 OG SER A 28 4.274 2.184 4.837 1.00 0.00 O ATOM 0 H SER A 28 3.523 -0.436 2.691 1.00 0.00 H new ATOM 0 HA SER A 28 2.660 2.445 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.998 0.657 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.412 2.274 3.114 1.00 0.00 H new ATOM 0 HG SER A 28 4.888 2.909 5.075 1.00 0.00 H new ATOM 421 N SER A 29 3.731 3.286 0.858 1.00 0.00 N ATOM 422 CA SER A 29 4.096 3.674 -0.534 1.00 0.00 C ATOM 423 C SER A 29 5.369 2.943 -0.969 1.00 0.00 C ATOM 424 O SER A 29 5.387 2.245 -1.962 1.00 0.00 O ATOM 425 CB SER A 29 4.336 5.181 -0.478 1.00 0.00 C ATOM 426 OG SER A 29 5.482 5.504 -1.253 1.00 0.00 O ATOM 0 H SER A 29 3.464 4.058 1.468 1.00 0.00 H new ATOM 0 HA SER A 29 3.318 3.413 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.464 5.714 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.480 5.500 0.554 1.00 0.00 H new ATOM 0 HG SER A 29 5.637 6.471 -1.220 1.00 0.00 H new ATOM 432 N SER A 30 6.435 3.097 -0.231 1.00 0.00 N ATOM 433 CA SER A 30 7.704 2.410 -0.604 1.00 0.00 C ATOM 434 C SER A 30 7.417 0.967 -1.026 1.00 0.00 C ATOM 435 O SER A 30 8.113 0.399 -1.844 1.00 0.00 O ATOM 436 CB SER A 30 8.557 2.438 0.664 1.00 0.00 C ATOM 437 OG SER A 30 9.891 2.071 0.341 1.00 0.00 O ATOM 0 H SER A 30 6.482 3.668 0.613 1.00 0.00 H new ATOM 0 HA SER A 30 8.205 2.893 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.539 3.434 1.106 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.148 1.752 1.406 1.00 0.00 H new ATOM 0 HG SER A 30 10.441 2.090 1.152 1.00 0.00 H new ATOM 443 N GLU A 31 6.397 0.370 -0.474 1.00 0.00 N ATOM 444 CA GLU A 31 6.064 -1.036 -0.845 1.00 0.00 C ATOM 445 C GLU A 31 5.135 -1.056 -2.062 1.00 0.00 C ATOM 446 O GLU A 31 5.160 -1.974 -2.859 1.00 0.00 O ATOM 447 CB GLU A 31 5.357 -1.612 0.382 1.00 0.00 C ATOM 448 CG GLU A 31 6.381 -1.878 1.486 1.00 0.00 C ATOM 449 CD GLU A 31 6.452 -0.666 2.418 1.00 0.00 C ATOM 450 OE1 GLU A 31 6.200 0.432 1.950 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.758 -0.857 3.584 1.00 0.00 O ATOM 0 H GLU A 31 5.779 0.794 0.218 1.00 0.00 H new ATOM 0 HA GLU A 31 6.948 -1.614 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.597 -0.916 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.844 -2.536 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.101 -2.768 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.361 -2.072 1.049 1.00 0.00 H new ATOM 458 N LEU A 32 4.317 -0.050 -2.214 1.00 0.00 N ATOM 459 CA LEU A 32 3.391 -0.016 -3.382 1.00 0.00 C ATOM 460 C LEU A 32 4.189 -0.112 -4.685 1.00 0.00 C ATOM 461 O LEU A 32 3.794 -0.784 -5.616 1.00 0.00 O ATOM 462 CB LEU A 32 2.676 1.333 -3.286 1.00 0.00 C ATOM 463 CG LEU A 32 1.835 1.554 -4.544 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.791 0.442 -4.662 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.129 2.908 -4.453 1.00 0.00 C ATOM 0 H LEU A 32 4.250 0.748 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 32 2.686 -0.847 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.040 1.357 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.405 2.136 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 32 2.482 1.539 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.191 0.599 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.293 -0.523 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.143 0.456 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.529 3.067 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.482 2.923 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.872 3.701 -4.369 1.00 0.00 H new ATOM 477 N ALA A 33 5.311 0.548 -4.756 1.00 0.00 N ATOM 478 CA ALA A 33 6.133 0.483 -5.997 1.00 0.00 C ATOM 479 C ALA A 33 6.486 -0.973 -6.306 1.00 0.00 C ATOM 480 O ALA A 33 6.471 -1.398 -7.443 1.00 0.00 O ATOM 481 CB ALA A 33 7.394 1.289 -5.684 1.00 0.00 C ATOM 0 H ALA A 33 5.694 1.129 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 33 5.609 0.879 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.052 1.288 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.119 2.315 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.912 0.840 -4.836 1.00 0.00 H new ATOM 487 N THR A 34 6.794 -1.743 -5.298 1.00 0.00 N ATOM 488 CA THR A 34 7.137 -3.173 -5.535 1.00 0.00 C ATOM 489 C THR A 34 5.922 -3.906 -6.106 1.00 0.00 C ATOM 490 O THR A 34 5.931 -4.355 -7.235 1.00 0.00 O ATOM 491 CB THR A 34 7.504 -3.732 -4.161 1.00 0.00 C ATOM 492 OG1 THR A 34 8.688 -3.101 -3.694 1.00 0.00 O ATOM 493 CG2 THR A 34 7.735 -5.239 -4.273 1.00 0.00 C ATOM 0 H THR A 34 6.823 -1.444 -4.323 1.00 0.00 H new ATOM 0 HA THR A 34 7.953 -3.293 -6.248 1.00 0.00 H new ATOM 0 HB THR A 34 6.692 -3.540 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.923 -3.458 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.997 -5.641 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.825 -5.721 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.548 -5.431 -4.974 1.00 0.00 H new ATOM 501 N VAL A 35 4.872 -4.023 -5.338 1.00 0.00 N ATOM 502 CA VAL A 35 3.656 -4.719 -5.846 1.00 0.00 C ATOM 503 C VAL A 35 3.337 -4.222 -7.259 1.00 0.00 C ATOM 504 O VAL A 35 2.825 -4.948 -8.088 1.00 0.00 O ATOM 505 CB VAL A 35 2.538 -4.328 -4.878 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.872 -4.843 -3.477 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.406 -2.804 -4.840 1.00 0.00 C ATOM 0 H VAL A 35 4.804 -3.668 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 35 3.783 -5.800 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 35 1.599 -4.767 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.075 -4.564 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.967 -5.929 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.812 -4.404 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.609 -2.525 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.346 -2.366 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.168 -2.434 -5.838 1.00 0.00 H new ATOM 517 N MET A 36 3.641 -2.982 -7.533 1.00 0.00 N ATOM 518 CA MET A 36 3.363 -2.417 -8.883 1.00 0.00 C ATOM 519 C MET A 36 4.108 -3.211 -9.961 1.00 0.00 C ATOM 520 O MET A 36 3.508 -3.775 -10.854 1.00 0.00 O ATOM 521 CB MET A 36 3.880 -0.978 -8.817 1.00 0.00 C ATOM 522 CG MET A 36 3.084 -0.102 -9.785 1.00 0.00 C ATOM 523 SD MET A 36 1.342 -0.090 -9.292 1.00 0.00 S ATOM 524 CE MET A 36 1.459 1.248 -8.079 1.00 0.00 C ATOM 0 H MET A 36 4.073 -2.333 -6.875 1.00 0.00 H new ATOM 0 HA MET A 36 2.305 -2.462 -9.140 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.786 -0.593 -7.801 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.939 -0.949 -9.072 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.481 0.913 -9.784 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.183 -0.482 -10.802 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.460 1.512 -7.731 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.063 0.920 -7.233 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.924 2.119 -8.541 1.00 0.00 H new ATOM 534 N ARG A 37 5.411 -3.257 -9.888 1.00 0.00 N ATOM 535 CA ARG A 37 6.188 -4.012 -10.915 1.00 0.00 C ATOM 536 C ARG A 37 5.995 -5.522 -10.732 1.00 0.00 C ATOM 537 O ARG A 37 6.198 -6.297 -11.645 1.00 0.00 O ATOM 538 CB ARG A 37 7.647 -3.625 -10.668 1.00 0.00 C ATOM 539 CG ARG A 37 8.556 -4.429 -11.599 1.00 0.00 C ATOM 540 CD ARG A 37 9.849 -4.789 -10.865 1.00 0.00 C ATOM 541 NE ARG A 37 10.637 -5.587 -11.845 1.00 0.00 N ATOM 542 CZ ARG A 37 11.938 -5.627 -11.759 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.517 -6.540 -11.027 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.661 -4.752 -12.404 1.00 0.00 N ATOM 0 H ARG A 37 5.970 -2.806 -9.164 1.00 0.00 H new ATOM 0 HA ARG A 37 5.866 -3.775 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.785 -2.558 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.914 -3.816 -9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.047 -5.335 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.783 -3.849 -12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.391 -3.895 -10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.644 -5.364 -9.962 1.00 0.00 H new ATOM 0 HE ARG A 37 10.159 -6.103 -12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.952 -7.223 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.534 -6.571 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.209 -4.038 -12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.678 -4.783 -12.337 1.00 0.00 H new ATOM 558 N SER A 38 5.610 -5.944 -9.560 1.00 0.00 N ATOM 559 CA SER A 38 5.410 -7.402 -9.319 1.00 0.00 C ATOM 560 C SER A 38 4.216 -7.923 -10.121 1.00 0.00 C ATOM 561 O SER A 38 4.185 -9.066 -10.531 1.00 0.00 O ATOM 562 CB SER A 38 5.138 -7.521 -7.819 1.00 0.00 C ATOM 563 OG SER A 38 6.359 -7.789 -7.141 1.00 0.00 O ATOM 0 H SER A 38 5.425 -5.342 -8.757 1.00 0.00 H new ATOM 0 HA SER A 38 6.275 -7.989 -9.629 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.695 -6.599 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.421 -8.319 -7.630 1.00 0.00 H new ATOM 0 HG SER A 38 6.189 -7.864 -6.179 1.00 0.00 H new ATOM 569 N LEU A 39 3.231 -7.098 -10.349 1.00 0.00 N ATOM 570 CA LEU A 39 2.043 -7.561 -11.126 1.00 0.00 C ATOM 571 C LEU A 39 2.448 -7.887 -12.566 1.00 0.00 C ATOM 572 O LEU A 39 1.869 -8.744 -13.203 1.00 0.00 O ATOM 573 CB LEU A 39 1.057 -6.391 -11.096 1.00 0.00 C ATOM 574 CG LEU A 39 0.226 -6.445 -9.811 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.887 -5.397 -9.879 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.400 -7.834 -9.659 1.00 0.00 C ATOM 0 H LEU A 39 3.196 -6.129 -10.034 1.00 0.00 H new ATOM 0 HA LEU A 39 1.606 -8.466 -10.705 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.598 -5.446 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.401 -6.434 -11.966 1.00 0.00 H new ATOM 0 HG LEU A 39 0.872 -6.241 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.479 -5.435 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.447 -4.405 -9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.529 -5.603 -10.735 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.991 -7.869 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.044 -8.038 -10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.388 -8.585 -9.611 1.00 0.00 H new ATOM 588 N GLY A 40 3.438 -7.212 -13.084 1.00 0.00 N ATOM 589 CA GLY A 40 3.874 -7.491 -14.481 1.00 0.00 C ATOM 590 C GLY A 40 4.216 -6.178 -15.188 1.00 0.00 C ATOM 591 O GLY A 40 3.945 -6.005 -16.360 1.00 0.00 O ATOM 0 H GLY A 40 3.962 -6.482 -12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.743 -8.149 -14.476 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.083 -8.011 -15.022 1.00 0.00 H new ATOM 595 N LEU A 41 4.809 -5.250 -14.488 1.00 0.00 N ATOM 596 CA LEU A 41 5.167 -3.951 -15.125 1.00 0.00 C ATOM 597 C LEU A 41 6.461 -3.403 -14.518 1.00 0.00 C ATOM 598 O LEU A 41 7.050 -4.003 -13.641 1.00 0.00 O ATOM 599 CB LEU A 41 3.994 -3.019 -14.821 1.00 0.00 C ATOM 600 CG LEU A 41 3.595 -3.162 -13.351 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.648 -1.792 -12.674 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.173 -3.718 -13.262 1.00 0.00 C ATOM 0 H LEU A 41 5.061 -5.335 -13.503 1.00 0.00 H new ATOM 0 HA LEU A 41 5.337 -4.052 -16.197 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.271 -1.987 -15.035 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.148 -3.261 -15.464 1.00 0.00 H new ATOM 0 HG LEU A 41 4.284 -3.842 -12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.364 -1.893 -11.626 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.660 -1.393 -12.739 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.958 -1.112 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.887 -3.820 -12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.484 -3.037 -13.761 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.133 -4.694 -13.746 1.00 0.00 H new ATOM 614 N SER A 42 6.909 -2.267 -14.979 1.00 0.00 N ATOM 615 CA SER A 42 8.166 -1.683 -14.427 1.00 0.00 C ATOM 616 C SER A 42 8.363 -0.258 -14.951 1.00 0.00 C ATOM 617 O SER A 42 9.026 -0.049 -15.947 1.00 0.00 O ATOM 618 CB SER A 42 9.281 -2.598 -14.928 1.00 0.00 C ATOM 619 OG SER A 42 10.396 -2.505 -14.050 1.00 0.00 O ATOM 0 H SER A 42 6.460 -1.718 -15.713 1.00 0.00 H new ATOM 0 HA SER A 42 8.149 -1.620 -13.339 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.927 -3.628 -14.977 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.574 -2.313 -15.938 1.00 0.00 H new ATOM 0 HG SER A 42 11.113 -3.093 -14.368 1.00 0.00 H new ATOM 625 N PRO A 43 7.774 0.676 -14.256 1.00 0.00 N ATOM 626 CA PRO A 43 7.881 2.103 -14.649 1.00 0.00 C ATOM 627 C PRO A 43 9.287 2.635 -14.352 1.00 0.00 C ATOM 628 O PRO A 43 10.230 1.881 -14.218 1.00 0.00 O ATOM 629 CB PRO A 43 6.839 2.794 -13.774 1.00 0.00 C ATOM 630 CG PRO A 43 6.677 1.901 -12.586 1.00 0.00 C ATOM 631 CD PRO A 43 6.962 0.495 -13.048 1.00 0.00 C ATOM 0 HA PRO A 43 7.713 2.270 -15.713 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.170 3.789 -13.477 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.896 2.917 -14.306 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.362 2.191 -11.789 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.668 1.977 -12.182 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.498 -0.074 -12.288 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.042 -0.049 -13.263 1.00 0.00 H new ATOM 639 N SER A 44 9.433 3.928 -14.250 1.00 0.00 N ATOM 640 CA SER A 44 10.779 4.505 -13.962 1.00 0.00 C ATOM 641 C SER A 44 10.706 5.441 -12.753 1.00 0.00 C ATOM 642 O SER A 44 9.639 5.804 -12.300 1.00 0.00 O ATOM 643 CB SER A 44 11.152 5.283 -15.221 1.00 0.00 C ATOM 644 OG SER A 44 9.967 5.651 -15.915 1.00 0.00 O ATOM 0 H SER A 44 8.681 4.609 -14.353 1.00 0.00 H new ATOM 0 HA SER A 44 11.516 3.738 -13.724 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.723 6.173 -14.956 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.789 4.674 -15.863 1.00 0.00 H new ATOM 0 HG SER A 44 10.204 6.152 -16.723 1.00 0.00 H new ATOM 650 N GLU A 45 11.834 5.836 -12.227 1.00 0.00 N ATOM 651 CA GLU A 45 11.828 6.749 -11.049 1.00 0.00 C ATOM 652 C GLU A 45 10.803 7.868 -11.253 1.00 0.00 C ATOM 653 O GLU A 45 9.829 7.968 -10.535 1.00 0.00 O ATOM 654 CB GLU A 45 13.244 7.323 -10.984 1.00 0.00 C ATOM 655 CG GLU A 45 13.340 8.316 -9.826 1.00 0.00 C ATOM 656 CD GLU A 45 14.708 8.186 -9.153 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.943 7.167 -8.526 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.497 9.109 -9.277 1.00 0.00 O ATOM 0 H GLU A 45 12.759 5.566 -12.562 1.00 0.00 H new ATOM 0 HA GLU A 45 11.556 6.233 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.968 6.519 -10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.490 7.819 -11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.199 9.333 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.547 8.125 -9.103 1.00 0.00 H new ATOM 665 N ALA A 46 11.016 8.708 -12.229 1.00 0.00 N ATOM 666 CA ALA A 46 10.052 9.819 -12.477 1.00 0.00 C ATOM 667 C ALA A 46 8.615 9.302 -12.370 1.00 0.00 C ATOM 668 O ALA A 46 7.800 9.846 -11.652 1.00 0.00 O ATOM 669 CB ALA A 46 10.348 10.289 -13.902 1.00 0.00 C ATOM 0 H ALA A 46 11.813 8.674 -12.864 1.00 0.00 H new ATOM 0 HA ALA A 46 10.155 10.627 -11.752 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.678 11.108 -14.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.381 10.631 -13.965 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.197 9.463 -14.597 1.00 0.00 H new ATOM 675 N GLU A 47 8.298 8.252 -13.079 1.00 0.00 N ATOM 676 CA GLU A 47 6.914 7.699 -13.015 1.00 0.00 C ATOM 677 C GLU A 47 6.537 7.397 -11.562 1.00 0.00 C ATOM 678 O GLU A 47 5.401 7.554 -11.160 1.00 0.00 O ATOM 679 CB GLU A 47 6.964 6.411 -13.836 1.00 0.00 C ATOM 680 CG GLU A 47 5.547 6.021 -14.259 1.00 0.00 C ATOM 681 CD GLU A 47 5.477 5.922 -15.784 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.509 5.687 -16.390 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.392 6.083 -16.319 1.00 0.00 O ATOM 0 H GLU A 47 8.937 7.754 -13.699 1.00 0.00 H new ATOM 0 HA GLU A 47 6.170 8.396 -13.399 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.592 6.552 -14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.413 5.610 -13.249 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.272 5.067 -13.809 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.832 6.761 -13.899 1.00 0.00 H new ATOM 690 N VAL A 48 7.482 6.965 -10.773 1.00 0.00 N ATOM 691 CA VAL A 48 7.178 6.654 -9.346 1.00 0.00 C ATOM 692 C VAL A 48 6.907 7.947 -8.571 1.00 0.00 C ATOM 693 O VAL A 48 5.978 8.032 -7.793 1.00 0.00 O ATOM 694 CB VAL A 48 8.435 5.963 -8.814 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.114 5.273 -7.487 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.913 4.922 -9.827 1.00 0.00 C ATOM 0 H VAL A 48 8.451 6.814 -11.054 1.00 0.00 H new ATOM 0 HA VAL A 48 6.293 6.027 -9.239 1.00 0.00 H new ATOM 0 HB VAL A 48 9.219 6.704 -8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.009 4.780 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.774 6.015 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.330 4.532 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.809 4.430 -9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.130 4.180 -9.983 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.142 5.413 -10.773 1.00 0.00 H new ATOM 706 N ASN A 49 7.712 8.953 -8.779 1.00 0.00 N ATOM 707 CA ASN A 49 7.500 10.239 -8.053 1.00 0.00 C ATOM 708 C ASN A 49 6.056 10.714 -8.232 1.00 0.00 C ATOM 709 O ASN A 49 5.393 11.087 -7.284 1.00 0.00 O ATOM 710 CB ASN A 49 8.472 11.224 -8.702 1.00 0.00 C ATOM 711 CG ASN A 49 9.007 12.189 -7.642 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.256 12.949 -7.063 1.00 0.00 O ATOM 713 ND2 ASN A 49 10.281 12.190 -7.360 1.00 0.00 N ATOM 0 H ASN A 49 8.506 8.941 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 49 7.672 10.142 -6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.297 10.684 -9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.969 11.779 -9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.646 12.829 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.911 11.552 -7.846 1.00 0.00 H new ATOM 720 N ASP A 50 5.562 10.702 -9.440 1.00 0.00 N ATOM 721 CA ASP A 50 4.161 11.152 -9.677 1.00 0.00 C ATOM 722 C ASP A 50 3.175 10.157 -9.060 1.00 0.00 C ATOM 723 O ASP A 50 2.218 10.536 -8.414 1.00 0.00 O ATOM 724 CB ASP A 50 4.008 11.185 -11.199 1.00 0.00 C ATOM 725 CG ASP A 50 3.981 12.637 -11.678 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.018 13.277 -11.627 1.00 0.00 O ATOM 727 OD2 ASP A 50 2.922 13.085 -12.088 1.00 0.00 O ATOM 0 H ASP A 50 6.068 10.400 -10.273 1.00 0.00 H new ATOM 0 HA ASP A 50 3.957 12.123 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.833 10.651 -11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.090 10.677 -11.494 1.00 0.00 H new ATOM 732 N LEU A 51 3.401 8.885 -9.253 1.00 0.00 N ATOM 733 CA LEU A 51 2.477 7.868 -8.676 1.00 0.00 C ATOM 734 C LEU A 51 2.397 8.028 -7.156 1.00 0.00 C ATOM 735 O LEU A 51 1.349 7.877 -6.559 1.00 0.00 O ATOM 736 CB LEU A 51 3.095 6.518 -9.042 1.00 0.00 C ATOM 737 CG LEU A 51 2.406 5.961 -10.288 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.287 4.884 -10.922 1.00 0.00 C ATOM 739 CD2 LEU A 51 1.060 5.348 -9.893 1.00 0.00 C ATOM 0 H LEU A 51 4.185 8.507 -9.785 1.00 0.00 H new ATOM 0 HA LEU A 51 1.461 7.968 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.163 6.633 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.988 5.820 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 51 2.245 6.767 -11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.795 4.488 -11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.247 5.318 -11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.448 4.078 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.567 4.950 -10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.223 4.543 -9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.430 6.114 -9.441 1.00 0.00 H new ATOM 751 N MET A 52 3.498 8.333 -6.524 1.00 0.00 N ATOM 752 CA MET A 52 3.483 8.503 -5.042 1.00 0.00 C ATOM 753 C MET A 52 2.994 9.907 -4.676 1.00 0.00 C ATOM 754 O MET A 52 2.056 10.069 -3.920 1.00 0.00 O ATOM 755 CB MET A 52 4.938 8.313 -4.609 1.00 0.00 C ATOM 756 CG MET A 52 5.104 6.931 -3.974 1.00 0.00 C ATOM 757 SD MET A 52 4.905 5.657 -5.244 1.00 0.00 S ATOM 758 CE MET A 52 3.279 5.063 -4.717 1.00 0.00 C ATOM 0 H MET A 52 4.406 8.472 -6.968 1.00 0.00 H new ATOM 0 HA MET A 52 2.815 7.796 -4.551 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.601 8.412 -5.469 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.221 9.089 -3.897 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.087 6.847 -3.511 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.366 6.791 -3.184 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.340 4.002 -4.475 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.957 5.618 -3.836 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.559 5.211 -5.522 1.00 0.00 H new ATOM 768 N ASN A 53 3.620 10.922 -5.204 1.00 0.00 N ATOM 769 CA ASN A 53 3.189 12.313 -4.885 1.00 0.00 C ATOM 770 C ASN A 53 1.666 12.431 -4.984 1.00 0.00 C ATOM 771 O ASN A 53 1.058 13.282 -4.366 1.00 0.00 O ATOM 772 CB ASN A 53 3.865 13.190 -5.941 1.00 0.00 C ATOM 773 CG ASN A 53 5.228 13.652 -5.424 1.00 0.00 C ATOM 774 OD1 ASN A 53 6.174 12.890 -5.405 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.370 14.878 -5.000 1.00 0.00 N ATOM 0 H ASN A 53 4.412 10.849 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 53 3.465 12.609 -3.873 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.986 12.632 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.239 14.053 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.275 15.196 -4.653 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.576 15.518 -5.016 1.00 0.00 H new ATOM 782 N GLU A 54 1.045 11.583 -5.758 1.00 0.00 N ATOM 783 CA GLU A 54 -0.439 11.647 -5.895 1.00 0.00 C ATOM 784 C GLU A 54 -1.111 10.977 -4.693 1.00 0.00 C ATOM 785 O GLU A 54 -2.222 11.306 -4.329 1.00 0.00 O ATOM 786 CB GLU A 54 -0.750 10.882 -7.181 1.00 0.00 C ATOM 787 CG GLU A 54 -1.805 11.644 -7.986 1.00 0.00 C ATOM 788 CD GLU A 54 -1.696 11.261 -9.463 1.00 0.00 C ATOM 789 OE1 GLU A 54 -0.859 11.832 -10.142 1.00 0.00 O ATOM 790 OE2 GLU A 54 -2.451 10.402 -9.889 1.00 0.00 O ATOM 0 H GLU A 54 1.500 10.849 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.807 12.672 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.157 10.761 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.111 9.881 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.802 11.411 -7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.663 12.718 -7.867 1.00 0.00 H new ATOM 797 N ILE A 55 -0.445 10.039 -4.077 1.00 0.00 N ATOM 798 CA ILE A 55 -1.047 9.348 -2.899 1.00 0.00 C ATOM 799 C ILE A 55 -0.237 9.653 -1.637 1.00 0.00 C ATOM 800 O ILE A 55 -0.785 9.893 -0.580 1.00 0.00 O ATOM 801 CB ILE A 55 -0.976 7.859 -3.236 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.732 7.060 -2.171 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.486 7.410 -3.265 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.441 5.569 -2.349 1.00 0.00 C ATOM 0 H ILE A 55 0.489 9.721 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.069 9.674 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.428 7.686 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.429 7.384 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.803 7.245 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.536 6.348 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.026 7.979 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.939 7.583 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.979 5.000 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.765 5.251 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.371 5.392 -2.244 1.00 0.00 H new ATOM 816 N ASP A 56 1.065 9.644 -1.739 1.00 0.00 N ATOM 817 CA ASP A 56 1.907 9.934 -0.544 1.00 0.00 C ATOM 818 C ASP A 56 1.533 11.294 0.051 1.00 0.00 C ATOM 819 O ASP A 56 1.538 12.302 -0.626 1.00 0.00 O ATOM 820 CB ASP A 56 3.343 9.956 -1.069 1.00 0.00 C ATOM 821 CG ASP A 56 4.306 9.573 0.057 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.179 8.474 0.570 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.153 10.386 0.388 1.00 0.00 O ATOM 0 H ASP A 56 1.581 9.449 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 56 1.772 9.195 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.447 9.261 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.587 10.948 -1.449 1.00 0.00 H new ATOM 828 N VAL A 57 1.207 11.329 1.315 1.00 0.00 N ATOM 829 CA VAL A 57 0.833 12.624 1.952 1.00 0.00 C ATOM 830 C VAL A 57 1.421 12.709 3.363 1.00 0.00 C ATOM 831 O VAL A 57 1.058 13.563 4.147 1.00 0.00 O ATOM 832 CB VAL A 57 -0.694 12.611 2.007 1.00 0.00 C ATOM 833 CG1 VAL A 57 -1.160 11.553 3.010 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.199 13.986 2.449 1.00 0.00 C ATOM 0 H VAL A 57 1.184 10.518 1.933 1.00 0.00 H new ATOM 0 HA VAL A 57 1.214 13.482 1.398 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.091 12.376 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.249 11.544 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.800 10.573 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.763 11.788 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.288 13.978 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.802 14.219 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.867 14.742 1.737 1.00 0.00 H new ATOM 844 N ASP A 58 2.327 11.829 3.692 1.00 0.00 N ATOM 845 CA ASP A 58 2.937 11.860 5.052 1.00 0.00 C ATOM 846 C ASP A 58 4.270 11.106 5.052 1.00 0.00 C ATOM 847 O ASP A 58 4.689 10.566 6.057 1.00 0.00 O ATOM 848 CB ASP A 58 1.923 11.159 5.958 1.00 0.00 C ATOM 849 CG ASP A 58 1.136 12.204 6.749 1.00 0.00 C ATOM 850 OD1 ASP A 58 1.726 12.829 7.617 1.00 0.00 O ATOM 851 OD2 ASP A 58 -0.041 12.362 6.477 1.00 0.00 O ATOM 0 H ASP A 58 2.671 11.090 3.078 1.00 0.00 H new ATOM 0 HA ASP A 58 3.148 12.876 5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.243 10.553 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.437 10.482 6.641 1.00 0.00 H new ATOM 856 N GLY A 59 4.939 11.066 3.933 1.00 0.00 N ATOM 857 CA GLY A 59 6.243 10.348 3.870 1.00 0.00 C ATOM 858 C GLY A 59 5.996 8.838 3.865 1.00 0.00 C ATOM 859 O GLY A 59 6.297 8.154 2.908 1.00 0.00 O ATOM 0 H GLY A 59 4.639 11.499 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.788 10.641 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.863 10.623 4.723 1.00 0.00 H new ATOM 863 N ASN A 60 5.451 8.313 4.928 1.00 0.00 N ATOM 864 CA ASN A 60 5.185 6.847 4.983 1.00 0.00 C ATOM 865 C ASN A 60 3.717 6.588 5.335 1.00 0.00 C ATOM 866 O ASN A 60 3.409 5.970 6.335 1.00 0.00 O ATOM 867 CB ASN A 60 6.102 6.319 6.085 1.00 0.00 C ATOM 868 CG ASN A 60 5.850 4.825 6.289 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.445 4.134 5.375 1.00 0.00 O ATOM 870 ND2 ASN A 60 6.073 4.291 7.459 1.00 0.00 N ATOM 0 H ASN A 60 5.178 8.835 5.761 1.00 0.00 H new ATOM 0 HA ASN A 60 5.373 6.357 4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.145 6.489 5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.919 6.859 7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.907 3.295 7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.413 4.870 8.227 1.00 0.00 H new ATOM 877 N HIS A 61 2.811 7.055 4.522 1.00 0.00 N ATOM 878 CA HIS A 61 1.364 6.836 4.811 1.00 0.00 C ATOM 879 C HIS A 61 1.009 5.356 4.638 1.00 0.00 C ATOM 880 O HIS A 61 1.757 4.592 4.060 1.00 0.00 O ATOM 881 CB HIS A 61 0.621 7.690 3.784 1.00 0.00 C ATOM 882 CG HIS A 61 0.745 7.062 2.423 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.697 6.096 2.139 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.042 7.250 1.259 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.544 5.743 0.849 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.548 6.415 0.266 1.00 0.00 N ATOM 0 H HIS A 61 3.009 7.579 3.670 1.00 0.00 H new ATOM 0 HA HIS A 61 1.101 7.108 5.833 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.430 7.778 4.061 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.032 8.699 3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.388 5.721 2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.779 7.941 1.133 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.153 5.006 0.347 1.00 0.00 H new ATOM 894 N GLN A 62 -0.127 4.947 5.131 1.00 0.00 N ATOM 895 CA GLN A 62 -0.529 3.518 4.993 1.00 0.00 C ATOM 896 C GLN A 62 -1.476 3.350 3.801 1.00 0.00 C ATOM 897 O GLN A 62 -2.601 3.807 3.821 1.00 0.00 O ATOM 898 CB GLN A 62 -1.246 3.179 6.300 1.00 0.00 C ATOM 899 CG GLN A 62 -2.520 4.017 6.417 1.00 0.00 C ATOM 900 CD GLN A 62 -3.740 3.129 6.163 1.00 0.00 C ATOM 901 OE1 GLN A 62 -3.933 2.135 6.834 1.00 0.00 O ATOM 902 NE2 GLN A 62 -4.579 3.448 5.215 1.00 0.00 N ATOM 0 H GLN A 62 -0.795 5.540 5.624 1.00 0.00 H new ATOM 0 HA GLN A 62 0.324 2.863 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.493 2.118 6.327 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.590 3.375 7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.583 4.465 7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.497 4.836 5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.418 4.282 4.651 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.396 2.863 5.038 1.00 0.00 H new ATOM 911 N ILE A 63 -1.028 2.697 2.763 1.00 0.00 N ATOM 912 CA ILE A 63 -1.902 2.501 1.571 1.00 0.00 C ATOM 913 C ILE A 63 -2.876 1.346 1.811 1.00 0.00 C ATOM 914 O ILE A 63 -2.593 0.426 2.553 1.00 0.00 O ATOM 915 CB ILE A 63 -0.943 2.164 0.430 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.006 3.342 0.198 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.743 1.896 -0.846 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.018 2.975 -0.888 1.00 0.00 C ATOM 0 H ILE A 63 -0.095 2.291 2.689 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.505 3.382 1.352 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.366 1.277 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.559 4.225 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.524 3.593 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.059 1.656 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.420 1.058 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.320 2.783 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.694 3.814 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.591 2.104 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.491 2.746 -1.814 1.00 0.00 H new ATOM 930 N GLU A 64 -4.021 1.384 1.187 1.00 0.00 N ATOM 931 CA GLU A 64 -5.012 0.287 1.377 1.00 0.00 C ATOM 932 C GLU A 64 -5.225 -0.463 0.061 1.00 0.00 C ATOM 933 O GLU A 64 -5.430 0.134 -0.978 1.00 0.00 O ATOM 934 CB GLU A 64 -6.300 0.987 1.811 1.00 0.00 C ATOM 935 CG GLU A 64 -6.065 1.718 3.134 1.00 0.00 C ATOM 936 CD GLU A 64 -7.021 1.173 4.197 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.211 1.137 3.931 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.547 0.801 5.257 1.00 0.00 O ATOM 0 H GLU A 64 -4.314 2.128 0.553 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.681 -0.447 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.618 1.694 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.102 0.258 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.032 1.585 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.223 2.789 3.003 1.00 0.00 H new ATOM 945 N PHE A 65 -5.176 -1.767 0.094 1.00 0.00 N ATOM 946 CA PHE A 65 -5.376 -2.552 -1.159 1.00 0.00 C ATOM 947 C PHE A 65 -6.533 -1.967 -1.972 1.00 0.00 C ATOM 948 O PHE A 65 -6.511 -1.967 -3.187 1.00 0.00 O ATOM 949 CB PHE A 65 -5.713 -3.968 -0.690 1.00 0.00 C ATOM 950 CG PHE A 65 -5.856 -4.873 -1.889 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.846 -4.915 -2.858 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.998 -5.670 -2.033 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.978 -5.754 -3.971 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.130 -6.509 -3.146 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.120 -6.550 -4.115 1.00 0.00 C ATOM 0 H PHE A 65 -5.006 -2.323 0.932 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.496 -2.534 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.929 -4.341 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.638 -3.961 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.965 -4.300 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.777 -5.638 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.199 -5.787 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.011 -7.124 -3.257 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.222 -7.196 -4.974 1.00 0.00 H new ATOM 965 N SER A 66 -7.542 -1.468 -1.313 1.00 0.00 N ATOM 966 CA SER A 66 -8.698 -0.882 -2.050 1.00 0.00 C ATOM 967 C SER A 66 -8.265 0.388 -2.788 1.00 0.00 C ATOM 968 O SER A 66 -8.165 0.411 -3.998 1.00 0.00 O ATOM 969 CB SER A 66 -9.728 -0.551 -0.972 1.00 0.00 C ATOM 970 OG SER A 66 -10.684 0.359 -1.500 1.00 0.00 O ATOM 0 H SER A 66 -7.617 -1.440 -0.296 1.00 0.00 H new ATOM 0 HA SER A 66 -9.099 -1.564 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.223 -1.461 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.235 -0.115 -0.103 1.00 0.00 H new ATOM 0 HG SER A 66 -11.348 0.572 -0.811 1.00 0.00 H new ATOM 976 N GLU A 67 -8.009 1.445 -2.067 1.00 0.00 N ATOM 977 CA GLU A 67 -7.582 2.713 -2.729 1.00 0.00 C ATOM 978 C GLU A 67 -6.398 2.448 -3.663 1.00 0.00 C ATOM 979 O GLU A 67 -6.210 3.130 -4.651 1.00 0.00 O ATOM 980 CB GLU A 67 -7.167 3.636 -1.583 1.00 0.00 C ATOM 981 CG GLU A 67 -6.358 4.809 -2.139 1.00 0.00 C ATOM 982 CD GLU A 67 -4.898 4.677 -1.702 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.648 3.957 -0.749 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.054 5.298 -2.326 1.00 0.00 O ATOM 0 H GLU A 67 -8.076 1.487 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.374 3.150 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.050 4.005 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.573 3.084 -0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.423 4.825 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.772 5.752 -1.781 1.00 0.00 H new ATOM 991 N PHE A 68 -5.598 1.463 -3.358 1.00 0.00 N ATOM 992 CA PHE A 68 -4.428 1.155 -4.229 1.00 0.00 C ATOM 993 C PHE A 68 -4.897 0.815 -5.646 1.00 0.00 C ATOM 994 O PHE A 68 -4.509 1.447 -6.608 1.00 0.00 O ATOM 995 CB PHE A 68 -3.758 -0.056 -3.577 1.00 0.00 C ATOM 996 CG PHE A 68 -2.805 -0.696 -4.558 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.168 0.087 -5.529 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.558 -2.073 -4.499 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.285 -0.507 -6.439 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.675 -2.667 -5.409 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.039 -1.883 -6.379 1.00 0.00 C ATOM 0 H PHE A 68 -5.704 0.858 -2.543 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.745 1.999 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.220 0.252 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.513 -0.777 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.358 1.149 -5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.049 -2.678 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.794 0.097 -7.187 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.485 -3.729 -5.363 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.358 -2.341 -7.081 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.728 -0.183 -5.782 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.220 -0.566 -7.137 1.00 0.00 C ATOM 1013 C LEU A 69 -7.306 0.407 -7.601 1.00 0.00 C ATOM 1014 O LEU A 69 -7.359 0.791 -8.752 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.793 -1.973 -6.965 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.706 -3.008 -7.264 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.417 -2.626 -6.536 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.170 -4.385 -6.783 1.00 0.00 C ATOM 0 H LEU A 69 -6.087 -0.750 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.430 -0.537 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.165 -2.104 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.641 -2.116 -7.635 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.521 -3.037 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.645 -3.365 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.085 -1.645 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.601 -2.595 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.397 -5.124 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.356 -4.352 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.088 -4.661 -7.302 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.176 0.808 -6.715 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.258 1.756 -7.106 1.00 0.00 C ATOM 1032 C ALA A 70 -8.656 3.005 -7.755 1.00 0.00 C ATOM 1033 O ALA A 70 -9.295 3.679 -8.538 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.962 2.117 -5.798 1.00 0.00 C ATOM 0 H ALA A 70 -8.184 0.520 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.946 1.321 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.774 2.814 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.366 1.214 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.249 2.581 -5.117 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.429 3.318 -7.436 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.788 4.524 -8.036 1.00 0.00 C ATOM 1042 C LEU A 71 -5.779 4.107 -9.110 1.00 0.00 C ATOM 1043 O LEU A 71 -5.481 4.856 -10.019 1.00 0.00 O ATOM 1044 CB LEU A 71 -6.078 5.217 -6.872 1.00 0.00 C ATOM 1045 CG LEU A 71 -7.065 6.128 -6.142 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.260 5.305 -5.656 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.370 6.772 -4.940 1.00 0.00 C ATOM 0 H LEU A 71 -6.844 2.792 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.513 5.180 -8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.675 4.474 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.234 5.800 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.412 6.905 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.963 5.956 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.756 4.844 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.914 4.527 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.073 7.422 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.023 5.994 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.519 7.360 -5.284 1.00 0.00 H new ATOM 1059 N MET A 72 -5.252 2.918 -9.011 1.00 0.00 N ATOM 1060 CA MET A 72 -4.262 2.455 -10.025 1.00 0.00 C ATOM 1061 C MET A 72 -4.931 2.332 -11.397 1.00 0.00 C ATOM 1062 O MET A 72 -4.291 2.451 -12.423 1.00 0.00 O ATOM 1063 CB MET A 72 -3.799 1.084 -9.530 1.00 0.00 C ATOM 1064 CG MET A 72 -2.357 1.183 -9.027 1.00 0.00 C ATOM 1065 SD MET A 72 -2.220 2.553 -7.852 1.00 0.00 S ATOM 1066 CE MET A 72 -1.144 3.607 -8.854 1.00 0.00 C ATOM 0 H MET A 72 -5.464 2.247 -8.273 1.00 0.00 H new ATOM 0 HA MET A 72 -3.430 3.150 -10.137 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.451 0.735 -8.730 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.865 0.353 -10.336 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.063 0.249 -8.549 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.678 1.340 -9.865 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.631 4.321 -8.209 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.408 2.990 -9.370 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.743 4.146 -9.587 1.00 0.00 H new ATOM 1076 N SER A 73 -6.214 2.094 -11.423 1.00 0.00 N ATOM 1077 CA SER A 73 -6.922 1.964 -12.728 1.00 0.00 C ATOM 1078 C SER A 73 -6.735 3.237 -13.560 1.00 0.00 C ATOM 1079 O SER A 73 -6.970 3.251 -14.751 1.00 0.00 O ATOM 1080 CB SER A 73 -8.393 1.774 -12.363 1.00 0.00 C ATOM 1081 OG SER A 73 -8.495 0.847 -11.291 1.00 0.00 O ATOM 0 H SER A 73 -6.802 1.984 -10.597 1.00 0.00 H new ATOM 0 HA SER A 73 -6.540 1.136 -13.325 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.835 2.728 -12.077 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.950 1.411 -13.227 1.00 0.00 H new ATOM 0 HG SER A 73 -9.438 0.724 -11.053 1.00 0.00 H new ATOM 1087 N ARG A 74 -6.315 4.305 -12.939 1.00 0.00 N ATOM 1088 CA ARG A 74 -6.114 5.575 -13.694 1.00 0.00 C ATOM 1089 C ARG A 74 -5.214 5.331 -14.909 1.00 0.00 C ATOM 1090 O ARG A 74 -5.335 5.987 -15.925 1.00 0.00 O ATOM 1091 CB ARG A 74 -5.433 6.520 -12.704 1.00 0.00 C ATOM 1092 CG ARG A 74 -5.391 7.932 -13.292 1.00 0.00 C ATOM 1093 CD ARG A 74 -3.967 8.486 -13.192 1.00 0.00 C ATOM 1094 NE ARG A 74 -3.835 9.419 -14.344 1.00 0.00 N ATOM 1095 CZ ARG A 74 -4.387 10.601 -14.294 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -4.136 11.396 -13.290 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -5.190 10.987 -15.247 1.00 0.00 N ATOM 0 H ARG A 74 -6.102 4.354 -11.943 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.051 5.985 -14.070 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.975 6.525 -11.758 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.422 6.173 -12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.713 7.913 -14.333 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.083 8.581 -12.756 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.810 9.003 -12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.228 7.687 -13.245 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.313 9.135 -15.173 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.509 11.094 -12.545 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.567 12.320 -13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.387 10.365 -16.031 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.621 11.911 -15.208 1.00 0.00 H new ATOM 1111 N GLN A 75 -4.314 4.391 -14.813 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.408 4.106 -15.963 1.00 0.00 C ATOM 1113 C GLN A 75 -2.326 3.104 -15.548 1.00 0.00 C ATOM 1114 O GLN A 75 -1.183 3.211 -15.947 1.00 0.00 O ATOM 1115 CB GLN A 75 -2.782 5.455 -16.318 1.00 0.00 C ATOM 1116 CG GLN A 75 -3.199 5.853 -17.736 1.00 0.00 C ATOM 1117 CD GLN A 75 -1.953 6.179 -18.562 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -0.863 6.261 -18.031 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -2.069 6.369 -19.848 1.00 0.00 N ATOM 0 H GLN A 75 -4.166 3.808 -13.989 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.939 3.668 -16.808 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.103 6.216 -15.606 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.696 5.393 -16.251 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.756 5.041 -18.204 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.862 6.717 -17.702 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.984 6.300 -20.293 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.245 6.586 -20.408 1.00 0.00 H new ATOM 1128 N LEU A 76 -2.678 2.133 -14.752 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.669 1.126 -14.314 1.00 0.00 C ATOM 1130 C LEU A 76 -0.792 0.707 -15.497 1.00 0.00 C ATOM 1131 O LEU A 76 0.421 0.738 -15.425 1.00 0.00 O ATOM 1132 CB LEU A 76 -2.487 -0.061 -13.806 1.00 0.00 C ATOM 1133 CG LEU A 76 -1.603 -0.957 -12.937 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -2.278 -1.183 -11.583 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -1.402 -2.304 -13.636 1.00 0.00 C ATOM 0 H LEU A 76 -3.620 1.992 -14.386 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.001 1.518 -13.547 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.342 0.293 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.883 -0.630 -14.647 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.637 -0.476 -12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.648 -1.822 -10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.424 -0.225 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.244 -1.664 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.772 -2.944 -13.018 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.369 -2.783 -13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.921 -2.145 -14.601 1.00 0.00 H new ATOM 1147 N LYS A 77 -1.396 0.315 -16.585 1.00 0.00 N ATOM 1148 CA LYS A 77 -0.596 -0.107 -17.772 1.00 0.00 C ATOM 1149 C LYS A 77 -0.051 1.122 -18.504 1.00 0.00 C ATOM 1150 O LYS A 77 -0.183 1.172 -19.716 1.00 0.00 O ATOM 1151 CB LYS A 77 -1.579 -0.869 -18.661 1.00 0.00 C ATOM 1152 CG LYS A 77 -1.009 -2.252 -18.985 1.00 0.00 C ATOM 1153 CD LYS A 77 -1.093 -2.498 -20.493 1.00 0.00 C ATOM 1154 CE LYS A 77 -0.884 -3.986 -20.779 1.00 0.00 C ATOM 1155 NZ LYS A 77 -2.152 -4.641 -20.350 1.00 0.00 N ATOM 1156 OXT LYS A 77 0.491 1.991 -17.840 1.00 0.00 O ATOM 0 H LYS A 77 -2.408 0.268 -16.704 1.00 0.00 H new ATOM 0 HA LYS A 77 0.262 -0.719 -17.496 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.540 -0.969 -18.156 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.759 -0.314 -19.581 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.027 -2.317 -18.652 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.565 -3.021 -18.449 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.064 -2.177 -20.871 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.338 -1.907 -21.011 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.687 -4.161 -21.837 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.030 -4.378 -20.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.953 -5.310 -19.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.821 -3.918 -20.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.568 -5.153 -21.154 1.00 0.00 H new TER 1170 LYS A 77