USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 443 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 56 SER OG : rot 64:sc= 1.14 USER MOD Set 1.2: A 60 HIS : no HE2:sc= -2.22 K(o=-1.1,f=-2.6!) USER MOD Set 2.1: A 47 ASN : amide:sc= 1.36 K(o=2.5,f=-8.7!) USER MOD Set 2.2: A 49 THR OG1 : rot 98:sc= 1.14 USER MOD Set 3.1: A 3 LYS NZ :NH3+ -178:sc= 0.634 (180deg=0.626) USER MOD Set 3.2: A 29 TYR OH : rot -30:sc= 1.17 USER MOD Set 4.1: A 2 THR OG1 : rot 151:sc= 2.1 USER MOD Set 4.2: A 5 GLN : amide:sc= 0.993 K(o=3.1,f=1.2) USER MOD Single : A 1 LEU N :NH3+ -119:sc= -0.0686 (180deg=-1.99!) USER MOD Single : A 9 SER OG : rot 78:sc= 1.13 USER MOD Single : A 10 HIS : no HD1:sc=-0.00423 X(o=-0.0042,f=-0.0042) USER MOD Single : A 15 HIS : no HE2:sc= 0.821 K(o=0.82,f=-4.6!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0514 USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 1.1 (180deg=1.09) USER MOD Single : A 26 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.922 K(o=0.92,f=-0.16) USER MOD Single : A 33 GLN : amide:sc= 2.63 K(o=2.6,f=-7.9!) USER MOD Single : A 35 TYR OH : rot -19:sc= 1.29 USER MOD Single : A 37 SER OG : rot 110:sc= 0.0875 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.581 K(o=0.58,f=-0.007) USER MOD Single : A 54 THR OG1 : rot -80:sc= 2.1 USER MOD Single : A 59 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.3) USER MOD Single : A 61 ASN : amide:sc= 0.00377 K(o=0.0038,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.425 9.915 -0.483 1.00 0.00 N ATOM 2 CA LEU A 1 14.329 8.999 -0.196 1.00 0.00 C ATOM 3 C LEU A 1 13.291 9.676 0.722 1.00 0.00 C ATOM 4 O LEU A 1 13.419 10.843 1.089 1.00 0.00 O ATOM 5 CB LEU A 1 14.882 7.678 0.391 1.00 0.00 C ATOM 6 CG LEU A 1 15.393 6.670 -0.659 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.732 7.065 -1.287 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.562 5.295 -0.002 1.00 0.00 C ATOM 0 H1 LEU A 1 15.473 10.088 -1.507 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.264 10.815 0.013 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.321 9.497 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 1 13.810 8.744 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.697 7.914 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.098 7.202 0.980 1.00 0.00 H new ATOM 0 HG LEU A 1 14.649 6.653 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 1 17.029 6.310 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.630 8.029 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.492 7.137 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.923 4.580 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.281 5.368 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.602 4.958 0.389 1.00 0.00 H new ATOM 20 N THR A 2 12.238 8.932 1.066 1.00 0.00 N ATOM 21 CA THR A 2 11.130 9.279 1.955 1.00 0.00 C ATOM 22 C THR A 2 10.736 8.042 2.763 1.00 0.00 C ATOM 23 O THR A 2 11.116 6.929 2.399 1.00 0.00 O ATOM 24 CB THR A 2 9.898 9.734 1.153 1.00 0.00 C ATOM 25 OG1 THR A 2 9.565 8.731 0.208 1.00 0.00 O ATOM 26 CG2 THR A 2 10.094 11.068 0.434 1.00 0.00 C ATOM 0 H THR A 2 12.131 7.988 0.696 1.00 0.00 H new ATOM 0 HA THR A 2 11.455 10.091 2.605 1.00 0.00 H new ATOM 0 HB THR A 2 9.091 9.885 1.870 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.601 8.752 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.185 11.325 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.312 11.847 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.925 10.985 -0.266 1.00 0.00 H new ATOM 34 N LYS A 3 9.900 8.191 3.803 1.00 0.00 N ATOM 35 CA LYS A 3 9.383 7.058 4.590 1.00 0.00 C ATOM 36 C LYS A 3 8.637 6.012 3.741 1.00 0.00 C ATOM 37 O LYS A 3 8.537 4.852 4.141 1.00 0.00 O ATOM 38 CB LYS A 3 8.514 7.586 5.745 1.00 0.00 C ATOM 39 CG LYS A 3 8.352 6.542 6.865 1.00 0.00 C ATOM 40 CD LYS A 3 7.490 7.049 8.032 1.00 0.00 C ATOM 41 CE LYS A 3 6.018 7.237 7.653 1.00 0.00 C ATOM 42 NZ LYS A 3 5.348 5.954 7.367 1.00 0.00 N ATOM 0 H LYS A 3 9.563 9.099 4.122 1.00 0.00 H new ATOM 0 HA LYS A 3 10.241 6.526 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.964 8.490 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.532 7.864 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.901 5.640 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.336 6.263 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.559 6.344 8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.892 7.998 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.497 7.744 8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.950 7.884 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.364 6.132 7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.848 5.465 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.359 5.359 8.220 1.00 0.00 H new ATOM 56 N CYS A 4 8.132 6.390 2.560 1.00 0.00 N ATOM 57 CA CYS A 4 7.614 5.435 1.586 1.00 0.00 C ATOM 58 C CYS A 4 8.763 4.699 0.886 1.00 0.00 C ATOM 59 O CYS A 4 8.883 3.485 1.031 1.00 0.00 O ATOM 60 CB CYS A 4 6.669 6.124 0.599 1.00 0.00 C ATOM 61 SG CYS A 4 5.777 4.916 -0.405 1.00 0.00 S ATOM 0 H CYS A 4 8.073 7.363 2.259 1.00 0.00 H new ATOM 0 HA CYS A 4 7.027 4.681 2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.957 6.743 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.239 6.790 -0.049 1.00 0.00 H new ATOM 66 N GLN A 5 9.635 5.423 0.173 1.00 0.00 N ATOM 67 CA GLN A 5 10.747 4.844 -0.592 1.00 0.00 C ATOM 68 C GLN A 5 11.714 4.025 0.280 1.00 0.00 C ATOM 69 O GLN A 5 12.281 3.038 -0.190 1.00 0.00 O ATOM 70 CB GLN A 5 11.499 5.967 -1.319 1.00 0.00 C ATOM 71 CG GLN A 5 10.639 6.648 -2.396 1.00 0.00 C ATOM 72 CD GLN A 5 11.290 7.931 -2.890 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.915 7.982 -3.935 1.00 0.00 O ATOM 74 NE2 GLN A 5 11.172 9.011 -2.143 1.00 0.00 N ATOM 0 H GLN A 5 9.588 6.440 0.110 1.00 0.00 H new ATOM 0 HA GLN A 5 10.322 4.146 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.824 6.712 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.398 5.559 -1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.493 5.966 -3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.652 6.871 -1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.649 8.971 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.603 9.886 -2.440 1.00 0.00 H new ATOM 83 N GLU A 6 11.869 4.396 1.555 1.00 0.00 N ATOM 84 CA GLU A 6 12.567 3.629 2.586 1.00 0.00 C ATOM 85 C GLU A 6 11.901 2.269 2.775 1.00 0.00 C ATOM 86 O GLU A 6 12.538 1.249 2.549 1.00 0.00 O ATOM 87 CB GLU A 6 12.558 4.417 3.903 1.00 0.00 C ATOM 88 CG GLU A 6 13.554 5.588 3.891 1.00 0.00 C ATOM 89 CD GLU A 6 13.183 6.683 4.895 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.737 6.330 6.009 1.00 0.00 O ATOM 91 OE2 GLU A 6 13.328 7.869 4.523 1.00 0.00 O ATOM 0 H GLU A 6 11.495 5.276 1.909 1.00 0.00 H new ATOM 0 HA GLU A 6 13.599 3.464 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.554 4.799 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.800 3.746 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.552 5.214 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.594 6.016 2.889 1.00 0.00 H new ATOM 98 N GLU A 7 10.617 2.231 3.142 1.00 0.00 N ATOM 99 CA GLU A 7 9.905 0.967 3.345 1.00 0.00 C ATOM 100 C GLU A 7 9.805 0.123 2.067 1.00 0.00 C ATOM 101 O GLU A 7 9.940 -1.093 2.151 1.00 0.00 O ATOM 102 CB GLU A 7 8.517 1.221 3.954 1.00 0.00 C ATOM 103 CG GLU A 7 8.581 1.646 5.429 1.00 0.00 C ATOM 104 CD GLU A 7 9.146 0.540 6.320 1.00 0.00 C ATOM 105 OE1 GLU A 7 8.361 -0.364 6.677 1.00 0.00 O ATOM 106 OE2 GLU A 7 10.363 0.602 6.608 1.00 0.00 O ATOM 0 H GLU A 7 10.049 3.062 3.305 1.00 0.00 H new ATOM 0 HA GLU A 7 10.496 0.381 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.010 1.996 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.916 0.315 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.200 2.538 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.582 1.914 5.773 1.00 0.00 H new ATOM 113 N VAL A 8 9.645 0.740 0.889 1.00 0.00 N ATOM 114 CA VAL A 8 9.692 0.046 -0.408 1.00 0.00 C ATOM 115 C VAL A 8 11.088 -0.523 -0.709 1.00 0.00 C ATOM 116 O VAL A 8 11.212 -1.553 -1.372 1.00 0.00 O ATOM 117 CB VAL A 8 9.226 0.984 -1.539 1.00 0.00 C ATOM 118 CG1 VAL A 8 9.253 0.326 -2.927 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.766 1.402 -1.329 1.00 0.00 C ATOM 0 H VAL A 8 9.478 1.743 0.807 1.00 0.00 H new ATOM 0 HA VAL A 8 9.008 -0.800 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 8 9.921 1.823 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.913 1.042 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.270 0.012 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.595 -0.543 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.457 2.064 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.131 0.516 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.670 1.924 -0.377 1.00 0.00 H new ATOM 129 N SER A 9 12.146 0.126 -0.217 1.00 0.00 N ATOM 130 CA SER A 9 13.521 -0.394 -0.264 1.00 0.00 C ATOM 131 C SER A 9 13.746 -1.526 0.750 1.00 0.00 C ATOM 132 O SER A 9 14.329 -2.551 0.409 1.00 0.00 O ATOM 133 CB SER A 9 14.545 0.723 -0.020 1.00 0.00 C ATOM 134 OG SER A 9 14.367 1.793 -0.926 1.00 0.00 O ATOM 0 H SER A 9 12.074 1.039 0.232 1.00 0.00 H new ATOM 0 HA SER A 9 13.664 -0.799 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.449 1.090 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.554 0.322 -0.121 1.00 0.00 H new ATOM 0 HG SER A 9 13.605 2.339 -0.642 1.00 0.00 H new ATOM 140 N HIS A 10 13.311 -1.339 2.004 1.00 0.00 N ATOM 141 CA HIS A 10 13.517 -2.270 3.120 1.00 0.00 C ATOM 142 C HIS A 10 12.643 -3.531 3.028 1.00 0.00 C ATOM 143 O HIS A 10 13.070 -4.594 3.475 1.00 0.00 O ATOM 144 CB HIS A 10 13.265 -1.542 4.449 1.00 0.00 C ATOM 145 CG HIS A 10 14.125 -0.318 4.672 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.398 -0.103 4.186 1.00 0.00 N ATOM 147 CD2 HIS A 10 13.754 0.804 5.362 1.00 0.00 C ATOM 148 CE1 HIS A 10 15.774 1.130 4.569 1.00 0.00 C ATOM 149 NE2 HIS A 10 14.807 1.721 5.286 1.00 0.00 N ATOM 0 H HIS A 10 12.788 -0.507 2.277 1.00 0.00 H new ATOM 0 HA HIS A 10 14.551 -2.611 3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.217 -1.246 4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.433 -2.241 5.268 1.00 0.00 H new ATOM 0 HD2 HIS A 10 12.815 0.954 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.725 1.583 4.331 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.834 2.655 5.695 1.00 0.00 H new ATOM 157 N ILE A 11 11.448 -3.429 2.435 1.00 0.00 N ATOM 158 CA ILE A 11 10.579 -4.549 2.071 1.00 0.00 C ATOM 159 C ILE A 11 10.769 -4.776 0.562 1.00 0.00 C ATOM 160 O ILE A 11 10.174 -4.041 -0.228 1.00 0.00 O ATOM 161 CB ILE A 11 9.098 -4.264 2.435 1.00 0.00 C ATOM 162 CG1 ILE A 11 8.924 -3.907 3.932 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.252 -5.503 2.083 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.550 -3.309 4.264 1.00 0.00 C ATOM 0 H ILE A 11 11.045 -2.525 2.186 1.00 0.00 H new ATOM 0 HA ILE A 11 10.845 -5.447 2.629 1.00 0.00 H new ATOM 0 HB ILE A 11 8.763 -3.400 1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.075 -4.805 4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.699 -3.197 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.208 -5.314 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.336 -5.710 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.612 -6.362 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.499 -3.083 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.404 -2.393 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.770 -4.025 4.007 1.00 0.00 H new ATOM 176 N PRO A 12 11.623 -5.722 0.128 1.00 0.00 N ATOM 177 CA PRO A 12 11.954 -5.907 -1.285 1.00 0.00 C ATOM 178 C PRO A 12 10.809 -6.565 -2.069 1.00 0.00 C ATOM 179 O PRO A 12 9.868 -7.106 -1.492 1.00 0.00 O ATOM 180 CB PRO A 12 13.200 -6.801 -1.271 1.00 0.00 C ATOM 181 CG PRO A 12 12.970 -7.673 -0.038 1.00 0.00 C ATOM 182 CD PRO A 12 12.350 -6.683 0.945 1.00 0.00 C ATOM 0 HA PRO A 12 12.126 -4.954 -1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.281 -7.397 -2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.117 -6.217 -1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.303 -8.509 -0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.900 -8.095 0.342 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.682 -7.189 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.118 -6.189 1.541 1.00 0.00 H new ATOM 190 N ALA A 13 10.946 -6.614 -3.400 1.00 0.00 N ATOM 191 CA ALA A 13 10.006 -7.289 -4.301 1.00 0.00 C ATOM 192 C ALA A 13 9.802 -8.788 -3.982 1.00 0.00 C ATOM 193 O ALA A 13 8.775 -9.363 -4.343 1.00 0.00 O ATOM 194 CB ALA A 13 10.497 -7.097 -5.739 1.00 0.00 C ATOM 0 H ALA A 13 11.728 -6.177 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 13 9.025 -6.835 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.811 -7.592 -6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.538 -6.033 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.492 -7.530 -5.845 1.00 0.00 H new ATOM 200 N VAL A 14 10.742 -9.414 -3.263 1.00 0.00 N ATOM 201 CA VAL A 14 10.623 -10.762 -2.691 1.00 0.00 C ATOM 202 C VAL A 14 9.687 -10.715 -1.470 1.00 0.00 C ATOM 203 O VAL A 14 10.113 -10.874 -0.327 1.00 0.00 O ATOM 204 CB VAL A 14 12.014 -11.360 -2.364 1.00 0.00 C ATOM 205 CG1 VAL A 14 11.910 -12.853 -2.014 1.00 0.00 C ATOM 206 CG2 VAL A 14 12.983 -11.247 -3.554 1.00 0.00 C ATOM 0 H VAL A 14 11.641 -8.979 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 14 10.180 -11.434 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 14 12.390 -10.787 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.902 -13.244 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.265 -12.979 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.489 -13.396 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.946 -11.678 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.574 -11.785 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.117 -10.197 -3.816 1.00 0.00 H new ATOM 216 N HIS A 15 8.397 -10.479 -1.731 1.00 0.00 N ATOM 217 CA HIS A 15 7.332 -10.374 -0.727 1.00 0.00 C ATOM 218 C HIS A 15 6.068 -11.249 -0.916 1.00 0.00 C ATOM 219 O HIS A 15 5.359 -11.364 0.082 1.00 0.00 O ATOM 220 CB HIS A 15 6.918 -8.901 -0.564 1.00 0.00 C ATOM 221 CG HIS A 15 5.918 -8.435 -1.594 1.00 0.00 C ATOM 222 ND1 HIS A 15 4.546 -8.503 -1.474 1.00 0.00 N ATOM 223 CD2 HIS A 15 6.199 -7.888 -2.816 1.00 0.00 C ATOM 224 CE1 HIS A 15 4.015 -8.003 -2.602 1.00 0.00 C ATOM 225 NE2 HIS A 15 4.981 -7.620 -3.450 1.00 0.00 N ATOM 0 H HIS A 15 8.053 -10.351 -2.683 1.00 0.00 H new ATOM 0 HA HIS A 15 7.793 -10.785 0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.495 -8.760 0.431 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.807 -8.274 -0.624 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.028 -8.867 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.183 -7.698 -3.218 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.956 -7.921 -2.799 1.00 0.00 H new ATOM 233 N PRO A 16 5.719 -11.845 -2.088 1.00 0.00 N ATOM 234 CA PRO A 16 4.477 -12.609 -2.285 1.00 0.00 C ATOM 235 C PRO A 16 4.099 -13.544 -1.126 1.00 0.00 C ATOM 236 O PRO A 16 4.835 -14.469 -0.791 1.00 0.00 O ATOM 237 CB PRO A 16 4.653 -13.355 -3.609 1.00 0.00 C ATOM 238 CG PRO A 16 5.464 -12.354 -4.422 1.00 0.00 C ATOM 239 CD PRO A 16 6.397 -11.742 -3.378 1.00 0.00 C ATOM 0 HA PRO A 16 3.630 -11.924 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.180 -14.300 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.697 -13.585 -4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.019 -12.840 -5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.828 -11.601 -4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.350 -12.270 -3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.614 -10.701 -3.618 1.00 0.00 H new ATOM 247 N GLY A 17 2.951 -13.261 -0.499 1.00 0.00 N ATOM 248 CA GLY A 17 2.490 -13.855 0.758 1.00 0.00 C ATOM 249 C GLY A 17 2.378 -12.795 1.861 1.00 0.00 C ATOM 250 O GLY A 17 1.443 -12.832 2.662 1.00 0.00 O ATOM 0 H GLY A 17 2.289 -12.581 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.521 -14.330 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.182 -14.637 1.070 1.00 0.00 H new ATOM 254 N SER A 18 3.266 -11.795 1.840 1.00 0.00 N ATOM 255 CA SER A 18 3.253 -10.582 2.662 1.00 0.00 C ATOM 256 C SER A 18 2.957 -9.331 1.815 1.00 0.00 C ATOM 257 O SER A 18 2.920 -9.376 0.581 1.00 0.00 O ATOM 258 CB SER A 18 4.596 -10.446 3.386 1.00 0.00 C ATOM 259 OG SER A 18 4.497 -9.453 4.389 1.00 0.00 O ATOM 0 H SER A 18 4.065 -11.814 1.206 1.00 0.00 H new ATOM 0 HA SER A 18 2.454 -10.667 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.879 -11.400 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.379 -10.182 2.675 1.00 0.00 H new ATOM 0 HG SER A 18 5.357 -9.369 4.852 1.00 0.00 H new ATOM 265 N PHE A 19 2.731 -8.201 2.485 1.00 0.00 N ATOM 266 CA PHE A 19 2.514 -6.889 1.876 1.00 0.00 C ATOM 267 C PHE A 19 3.845 -6.203 1.515 1.00 0.00 C ATOM 268 O PHE A 19 4.880 -6.468 2.123 1.00 0.00 O ATOM 269 CB PHE A 19 1.703 -6.040 2.871 1.00 0.00 C ATOM 270 CG PHE A 19 1.526 -4.579 2.492 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.805 -4.226 1.336 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.119 -3.570 3.277 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.670 -2.875 0.975 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.979 -2.219 2.917 1.00 0.00 C ATOM 275 CZ PHE A 19 1.250 -1.871 1.768 1.00 0.00 C ATOM 0 H PHE A 19 2.693 -8.173 3.504 1.00 0.00 H new ATOM 0 HA PHE A 19 1.966 -7.002 0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.717 -6.490 2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.191 -6.088 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.355 -4.995 0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.683 -3.836 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.119 -2.608 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.432 -1.449 3.524 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.135 -0.833 1.494 1.00 0.00 H new ATOM 285 N ARG A 20 3.786 -5.270 0.553 1.00 0.00 N ATOM 286 CA ARG A 20 4.847 -4.332 0.183 1.00 0.00 C ATOM 287 C ARG A 20 4.190 -3.003 -0.222 1.00 0.00 C ATOM 288 O ARG A 20 3.237 -3.045 -1.002 1.00 0.00 O ATOM 289 CB ARG A 20 5.672 -4.918 -0.972 1.00 0.00 C ATOM 290 CG ARG A 20 6.850 -4.011 -1.350 1.00 0.00 C ATOM 291 CD ARG A 20 7.650 -4.603 -2.510 1.00 0.00 C ATOM 292 NE ARG A 20 8.917 -3.880 -2.671 1.00 0.00 N ATOM 293 CZ ARG A 20 9.524 -3.514 -3.788 1.00 0.00 C ATOM 294 NH1 ARG A 20 9.022 -3.781 -4.970 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.656 -2.856 -3.716 1.00 0.00 N ATOM 0 H ARG A 20 2.949 -5.146 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 20 5.522 -4.159 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.047 -5.901 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.030 -5.061 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.479 -3.024 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.501 -3.876 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.846 -5.659 -2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.069 -4.543 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 20 9.393 -3.626 -1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.138 -4.285 -5.047 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.515 -3.485 -5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.059 -2.632 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.134 -2.568 -4.570 1.00 0.00 H new ATOM 309 N PRO A 21 4.636 -1.843 0.300 1.00 0.00 N ATOM 310 CA PRO A 21 4.033 -0.556 -0.036 1.00 0.00 C ATOM 311 C PRO A 21 4.359 -0.066 -1.459 1.00 0.00 C ATOM 312 O PRO A 21 5.199 -0.629 -2.160 1.00 0.00 O ATOM 313 CB PRO A 21 4.509 0.413 1.054 1.00 0.00 C ATOM 314 CG PRO A 21 5.820 -0.191 1.555 1.00 0.00 C ATOM 315 CD PRO A 21 5.649 -1.692 1.334 1.00 0.00 C ATOM 0 HA PRO A 21 2.946 -0.636 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.661 1.416 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.778 0.497 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.675 0.198 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.989 0.040 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.589 -2.149 1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.341 -2.187 2.255 1.00 0.00 H new ATOM 323 N LYS A 22 3.673 1.006 -1.874 1.00 0.00 N ATOM 324 CA LYS A 22 3.822 1.717 -3.153 1.00 0.00 C ATOM 325 C LYS A 22 3.770 3.239 -2.937 1.00 0.00 C ATOM 326 O LYS A 22 3.078 3.705 -2.027 1.00 0.00 O ATOM 327 CB LYS A 22 2.710 1.294 -4.136 1.00 0.00 C ATOM 328 CG LYS A 22 2.726 -0.178 -4.584 1.00 0.00 C ATOM 329 CD LYS A 22 1.899 -1.127 -3.702 1.00 0.00 C ATOM 330 CE LYS A 22 2.006 -2.542 -4.274 1.00 0.00 C ATOM 331 NZ LYS A 22 1.569 -3.558 -3.300 1.00 0.00 N ATOM 0 H LYS A 22 2.952 1.428 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 22 4.792 1.454 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.745 1.501 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.779 1.923 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.353 -0.236 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.758 -0.527 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.265 -1.105 -2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.857 -0.807 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.398 -2.617 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.037 -2.739 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.719 -4.507 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.120 -3.458 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.559 -3.426 -3.091 1.00 0.00 H new ATOM 345 N CYS A 23 4.431 4.017 -3.803 1.00 0.00 N ATOM 346 CA CYS A 23 4.591 5.472 -3.664 1.00 0.00 C ATOM 347 C CYS A 23 4.233 6.242 -4.937 1.00 0.00 C ATOM 348 O CYS A 23 4.227 5.696 -6.038 1.00 0.00 O ATOM 349 CB CYS A 23 6.048 5.812 -3.289 1.00 0.00 C ATOM 350 SG CYS A 23 6.884 4.741 -2.092 1.00 0.00 S ATOM 0 H CYS A 23 4.880 3.645 -4.640 1.00 0.00 H new ATOM 0 HA CYS A 23 3.899 5.778 -2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.638 5.814 -4.206 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.064 6.829 -2.897 1.00 0.00 H new ATOM 355 N ASP A 24 3.952 7.535 -4.763 1.00 0.00 N ATOM 356 CA ASP A 24 3.566 8.471 -5.808 1.00 0.00 C ATOM 357 C ASP A 24 4.726 9.364 -6.295 1.00 0.00 C ATOM 358 O ASP A 24 5.832 9.342 -5.758 1.00 0.00 O ATOM 359 CB ASP A 24 2.341 9.278 -5.328 1.00 0.00 C ATOM 360 CG ASP A 24 2.575 10.088 -4.052 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.628 10.762 -3.970 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.685 10.035 -3.179 1.00 0.00 O ATOM 0 H ASP A 24 3.991 7.974 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 24 3.288 7.901 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.035 9.957 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.512 8.590 -5.160 1.00 0.00 H new ATOM 367 N GLU A 25 4.455 10.200 -7.304 1.00 0.00 N ATOM 368 CA GLU A 25 5.401 11.154 -7.908 1.00 0.00 C ATOM 369 C GLU A 25 5.934 12.237 -6.950 1.00 0.00 C ATOM 370 O GLU A 25 6.931 12.882 -7.256 1.00 0.00 O ATOM 371 CB GLU A 25 4.769 11.796 -9.162 1.00 0.00 C ATOM 372 CG GLU A 25 3.654 12.831 -8.900 1.00 0.00 C ATOM 373 CD GLU A 25 2.495 12.278 -8.068 1.00 0.00 C ATOM 374 OE1 GLU A 25 1.946 11.229 -8.474 1.00 0.00 O ATOM 375 OE2 GLU A 25 2.233 12.850 -6.986 1.00 0.00 O ATOM 0 H GLU A 25 3.534 10.234 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 25 6.279 10.568 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.559 12.279 -9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.361 11.002 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.081 13.692 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.268 13.188 -9.855 1.00 0.00 H new ATOM 382 N ASN A 26 5.298 12.413 -5.787 1.00 0.00 N ATOM 383 CA ASN A 26 5.761 13.255 -4.681 1.00 0.00 C ATOM 384 C ASN A 26 6.494 12.432 -3.597 1.00 0.00 C ATOM 385 O ASN A 26 6.684 12.909 -2.477 1.00 0.00 O ATOM 386 CB ASN A 26 4.562 14.052 -4.125 1.00 0.00 C ATOM 387 CG ASN A 26 4.246 15.272 -4.976 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.845 16.323 -4.823 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.300 15.190 -5.887 1.00 0.00 N ATOM 0 H ASN A 26 4.410 11.954 -5.583 1.00 0.00 H new ATOM 0 HA ASN A 26 6.503 13.964 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.686 13.405 -4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.778 14.368 -3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.072 16.003 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.795 14.314 -6.020 1.00 0.00 H new ATOM 396 N GLY A 27 6.873 11.178 -3.888 1.00 0.00 N ATOM 397 CA GLY A 27 7.603 10.290 -2.979 1.00 0.00 C ATOM 398 C GLY A 27 6.814 9.882 -1.730 1.00 0.00 C ATOM 399 O GLY A 27 7.386 9.286 -0.818 1.00 0.00 O ATOM 0 H GLY A 27 6.673 10.744 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.892 9.390 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.524 10.784 -2.668 1.00 0.00 H new ATOM 403 N ASN A 28 5.524 10.210 -1.663 1.00 0.00 N ATOM 404 CA ASN A 28 4.636 9.871 -0.559 1.00 0.00 C ATOM 405 C ASN A 28 3.982 8.512 -0.845 1.00 0.00 C ATOM 406 O ASN A 28 4.015 8.038 -1.984 1.00 0.00 O ATOM 407 CB ASN A 28 3.609 11.006 -0.404 1.00 0.00 C ATOM 408 CG ASN A 28 4.148 12.196 0.380 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.688 12.489 1.471 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.127 12.926 -0.123 1.00 0.00 N ATOM 0 H ASN A 28 5.056 10.736 -2.401 1.00 0.00 H new ATOM 0 HA ASN A 28 5.176 9.776 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.295 11.342 -1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.722 10.619 0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.489 13.723 0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.521 12.692 -1.034 1.00 0.00 H new ATOM 417 N TYR A 29 3.385 7.884 0.173 1.00 0.00 N ATOM 418 CA TYR A 29 2.653 6.631 -0.004 1.00 0.00 C ATOM 419 C TYR A 29 1.483 6.860 -0.960 1.00 0.00 C ATOM 420 O TYR A 29 0.692 7.782 -0.756 1.00 0.00 O ATOM 421 CB TYR A 29 2.171 6.077 1.343 1.00 0.00 C ATOM 422 CG TYR A 29 3.266 5.518 2.240 1.00 0.00 C ATOM 423 CD1 TYR A 29 4.053 6.381 3.029 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.469 4.125 2.319 1.00 0.00 C ATOM 425 CE1 TYR A 29 5.034 5.861 3.893 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.446 3.600 3.187 1.00 0.00 C ATOM 427 CZ TYR A 29 5.230 4.467 3.979 1.00 0.00 C ATOM 428 OH TYR A 29 6.194 3.957 4.793 1.00 0.00 O ATOM 0 H TYR A 29 3.396 8.228 1.133 1.00 0.00 H new ATOM 0 HA TYR A 29 3.321 5.886 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.653 6.871 1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.440 5.290 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.902 7.449 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.874 3.459 1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.637 6.529 4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.596 2.532 3.247 1.00 0.00 H new ATOM 0 HH TYR A 29 6.933 4.596 4.865 1.00 0.00 H new ATOM 438 N LEU A 30 1.386 6.029 -2.009 1.00 0.00 N ATOM 439 CA LEU A 30 0.282 6.099 -2.962 1.00 0.00 C ATOM 440 C LEU A 30 -1.051 6.014 -2.191 1.00 0.00 C ATOM 441 O LEU A 30 -1.193 5.071 -1.413 1.00 0.00 O ATOM 442 CB LEU A 30 0.367 4.974 -4.019 1.00 0.00 C ATOM 443 CG LEU A 30 0.795 5.461 -5.413 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.157 4.274 -6.305 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.306 6.270 -6.104 1.00 0.00 C ATOM 0 H LEU A 30 2.067 5.298 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 30 0.343 7.047 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.074 4.219 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.606 4.488 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 30 1.662 6.105 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.458 4.636 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.980 3.719 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.292 3.619 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.041 6.593 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.195 5.650 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.549 7.144 -5.500 1.00 0.00 H new ATOM 457 N PRO A 31 -2.021 6.936 -2.370 1.00 0.00 N ATOM 458 CA PRO A 31 -3.272 6.946 -1.604 1.00 0.00 C ATOM 459 C PRO A 31 -4.054 5.624 -1.567 1.00 0.00 C ATOM 460 O PRO A 31 -4.834 5.429 -0.641 1.00 0.00 O ATOM 461 CB PRO A 31 -4.111 8.079 -2.197 1.00 0.00 C ATOM 462 CG PRO A 31 -3.045 9.068 -2.657 1.00 0.00 C ATOM 463 CD PRO A 31 -1.928 8.155 -3.163 1.00 0.00 C ATOM 0 HA PRO A 31 -3.029 7.096 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.731 7.735 -3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.781 8.518 -1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.416 9.726 -3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.707 9.706 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.049 7.941 -4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.953 8.627 -3.042 1.00 0.00 H new ATOM 471 N LEU A 32 -3.838 4.717 -2.529 1.00 0.00 N ATOM 472 CA LEU A 32 -4.311 3.332 -2.544 1.00 0.00 C ATOM 473 C LEU A 32 -3.116 2.394 -2.313 1.00 0.00 C ATOM 474 O LEU A 32 -2.086 2.534 -2.973 1.00 0.00 O ATOM 475 CB LEU A 32 -4.966 3.049 -3.910 1.00 0.00 C ATOM 476 CG LEU A 32 -5.543 1.625 -4.060 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.883 1.448 -3.358 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.748 1.303 -5.541 1.00 0.00 C ATOM 0 H LEU A 32 -3.298 4.946 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.045 3.167 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.767 3.771 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.227 3.212 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.821 0.953 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.236 0.427 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.765 1.646 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.609 2.144 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.155 0.297 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.443 2.021 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.792 1.361 -6.062 1.00 0.00 H new ATOM 490 N GLN A 33 -3.276 1.398 -1.435 1.00 0.00 N ATOM 491 CA GLN A 33 -2.328 0.295 -1.250 1.00 0.00 C ATOM 492 C GLN A 33 -3.076 -1.042 -1.377 1.00 0.00 C ATOM 493 O GLN A 33 -4.255 -1.135 -1.029 1.00 0.00 O ATOM 494 CB GLN A 33 -1.658 0.394 0.130 1.00 0.00 C ATOM 495 CG GLN A 33 -0.901 1.701 0.417 1.00 0.00 C ATOM 496 CD GLN A 33 0.396 1.891 -0.366 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.315 1.091 -0.299 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.560 2.992 -1.065 1.00 0.00 N ATOM 0 H GLN A 33 -4.087 1.335 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.554 0.354 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.424 0.265 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.961 -0.437 0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.563 2.540 0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.672 1.742 1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.198 3.671 -1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.445 3.167 -1.541 1.00 0.00 H new ATOM 507 N CYS A 34 -2.387 -2.086 -1.850 1.00 0.00 N ATOM 508 CA CYS A 34 -2.970 -3.413 -2.056 1.00 0.00 C ATOM 509 C CYS A 34 -2.017 -4.533 -1.627 1.00 0.00 C ATOM 510 O CYS A 34 -0.797 -4.376 -1.648 1.00 0.00 O ATOM 511 CB CYS A 34 -3.373 -3.582 -3.528 1.00 0.00 C ATOM 512 SG CYS A 34 -4.647 -2.456 -4.165 1.00 0.00 S ATOM 0 H CYS A 34 -1.400 -2.031 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.857 -3.489 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.479 -3.464 -4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.723 -4.605 -3.669 1.00 0.00 H new ATOM 517 N TYR A 35 -2.599 -5.684 -1.293 1.00 0.00 N ATOM 518 CA TYR A 35 -1.942 -6.893 -0.803 1.00 0.00 C ATOM 519 C TYR A 35 -2.477 -8.076 -1.626 1.00 0.00 C ATOM 520 O TYR A 35 -3.336 -8.850 -1.199 1.00 0.00 O ATOM 521 CB TYR A 35 -2.173 -6.964 0.717 1.00 0.00 C ATOM 522 CG TYR A 35 -1.515 -8.062 1.536 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.675 -9.045 0.971 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.783 -8.096 2.920 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.160 -10.076 1.777 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.268 -9.126 3.727 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.468 -10.135 3.154 1.00 0.00 C ATOM 528 OH TYR A 35 -0.002 -11.147 3.934 1.00 0.00 O ATOM 0 H TYR A 35 -3.610 -5.804 -1.363 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.860 -6.907 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.854 -6.011 1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.248 -7.040 0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.428 -9.006 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.391 -7.322 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.477 -10.830 1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.485 -9.144 4.785 1.00 0.00 H new ATOM 0 HH TYR A 35 0.272 -11.898 3.367 1.00 0.00 H new ATOM 538 N GLY A 36 -1.974 -8.165 -2.864 1.00 0.00 N ATOM 539 CA GLY A 36 -2.468 -9.049 -3.922 1.00 0.00 C ATOM 540 C GLY A 36 -2.631 -10.514 -3.518 1.00 0.00 C ATOM 541 O GLY A 36 -3.661 -11.108 -3.823 1.00 0.00 O ATOM 0 H GLY A 36 -1.180 -7.600 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.431 -8.674 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.783 -8.995 -4.768 1.00 0.00 H new ATOM 545 N SER A 37 -1.657 -11.092 -2.803 1.00 0.00 N ATOM 546 CA SER A 37 -1.657 -12.511 -2.419 1.00 0.00 C ATOM 547 C SER A 37 -2.783 -12.929 -1.457 1.00 0.00 C ATOM 548 O SER A 37 -2.962 -14.128 -1.258 1.00 0.00 O ATOM 549 CB SER A 37 -0.281 -12.916 -1.881 1.00 0.00 C ATOM 550 OG SER A 37 0.106 -12.102 -0.795 1.00 0.00 O ATOM 0 H SER A 37 -0.838 -10.583 -2.471 1.00 0.00 H new ATOM 0 HA SER A 37 -1.870 -13.061 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.304 -13.959 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.460 -12.840 -2.677 1.00 0.00 H new ATOM 0 HG SER A 37 0.087 -12.628 0.031 1.00 0.00 H new ATOM 556 N ILE A 38 -3.553 -11.989 -0.887 1.00 0.00 N ATOM 557 CA ILE A 38 -4.789 -12.266 -0.148 1.00 0.00 C ATOM 558 C ILE A 38 -6.030 -11.652 -0.824 1.00 0.00 C ATOM 559 O ILE A 38 -7.146 -11.831 -0.333 1.00 0.00 O ATOM 560 CB ILE A 38 -4.661 -11.813 1.320 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.372 -10.306 1.473 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.623 -12.661 2.073 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.671 -9.780 2.884 1.00 0.00 C ATOM 0 H ILE A 38 -3.327 -10.995 -0.929 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.937 -13.346 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.638 -11.978 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.326 -10.116 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.970 -9.751 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.554 -12.319 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.927 -13.708 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.651 -12.558 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.448 -8.714 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.724 -9.941 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.054 -10.311 3.609 1.00 0.00 H new ATOM 575 N GLY A 39 -5.863 -10.927 -1.940 1.00 0.00 N ATOM 576 CA GLY A 39 -6.940 -10.236 -2.637 1.00 0.00 C ATOM 577 C GLY A 39 -7.548 -9.139 -1.769 1.00 0.00 C ATOM 578 O GLY A 39 -8.720 -9.228 -1.416 1.00 0.00 O ATOM 0 H GLY A 39 -4.954 -10.807 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.558 -9.802 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.713 -10.952 -2.917 1.00 0.00 H new ATOM 582 N TYR A 40 -6.746 -8.134 -1.400 1.00 0.00 N ATOM 583 CA TYR A 40 -7.206 -6.957 -0.647 1.00 0.00 C ATOM 584 C TYR A 40 -6.534 -5.651 -1.078 1.00 0.00 C ATOM 585 O TYR A 40 -5.382 -5.644 -1.519 1.00 0.00 O ATOM 586 CB TYR A 40 -6.914 -7.137 0.856 1.00 0.00 C ATOM 587 CG TYR A 40 -7.993 -7.821 1.667 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.009 -9.222 1.781 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.956 -7.046 2.347 1.00 0.00 C ATOM 590 CE1 TYR A 40 -8.974 -9.858 2.581 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.928 -7.677 3.145 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.940 -9.085 3.260 1.00 0.00 C ATOM 593 OH TYR A 40 -10.903 -9.694 4.000 1.00 0.00 O ATOM 0 H TYR A 40 -5.750 -8.113 -1.617 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.274 -6.885 -0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.992 -7.709 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.730 -6.154 1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.276 -9.813 1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.947 -5.970 2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.976 -10.934 2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.664 -7.086 3.669 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.485 -9.016 4.401 1.00 0.00 H new ATOM 603 N CYS A 41 -7.242 -4.542 -0.835 1.00 0.00 N ATOM 604 CA CYS A 41 -6.750 -3.171 -0.902 1.00 0.00 C ATOM 605 C CYS A 41 -7.357 -2.328 0.226 1.00 0.00 C ATOM 606 O CYS A 41 -8.392 -2.669 0.811 1.00 0.00 O ATOM 607 CB CYS A 41 -7.047 -2.510 -2.255 1.00 0.00 C ATOM 608 SG CYS A 41 -6.441 -3.345 -3.746 1.00 0.00 S ATOM 0 H CYS A 41 -8.227 -4.585 -0.572 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.667 -3.218 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.128 -2.401 -2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.626 -1.505 -2.238 1.00 0.00 H new ATOM 613 N TRP A 42 -6.703 -1.204 0.504 1.00 0.00 N ATOM 614 CA TRP A 42 -7.176 -0.138 1.377 1.00 0.00 C ATOM 615 C TRP A 42 -6.617 1.197 0.888 1.00 0.00 C ATOM 616 O TRP A 42 -5.641 1.244 0.133 1.00 0.00 O ATOM 617 CB TRP A 42 -6.742 -0.413 2.822 1.00 0.00 C ATOM 618 CG TRP A 42 -5.265 -0.541 3.040 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.424 0.451 3.417 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.439 -1.733 2.872 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.146 -0.064 3.548 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.101 -1.402 3.223 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.687 -3.062 2.463 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.064 -2.342 3.198 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.655 -4.017 2.425 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.346 -3.661 2.799 1.00 0.00 C ATOM 0 H TRP A 42 -5.785 -1.004 0.107 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.265 -0.096 1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.116 0.392 3.455 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.222 -1.332 3.158 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.705 1.480 3.588 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.337 0.480 3.848 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.687 -3.350 2.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.061 -2.058 3.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.868 -5.027 2.108 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.559 -4.400 2.780 1.00 0.00 H new ATOM 637 N CYS A 43 -7.206 2.293 1.357 1.00 0.00 N ATOM 638 CA CYS A 43 -6.617 3.609 1.155 1.00 0.00 C ATOM 639 C CYS A 43 -5.682 3.925 2.322 1.00 0.00 C ATOM 640 O CYS A 43 -5.916 3.493 3.455 1.00 0.00 O ATOM 641 CB CYS A 43 -7.679 4.707 1.051 1.00 0.00 C ATOM 642 SG CYS A 43 -8.863 4.543 -0.305 1.00 0.00 S ATOM 0 H CYS A 43 -8.084 2.295 1.876 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.068 3.586 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.234 4.738 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.172 5.666 0.949 1.00 0.00 H new ATOM 647 N VAL A 44 -4.672 4.750 2.061 1.00 0.00 N ATOM 648 CA VAL A 44 -3.787 5.334 3.068 1.00 0.00 C ATOM 649 C VAL A 44 -3.715 6.848 2.882 1.00 0.00 C ATOM 650 O VAL A 44 -3.914 7.364 1.780 1.00 0.00 O ATOM 651 CB VAL A 44 -2.353 4.761 3.004 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.307 3.257 3.289 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.655 5.024 1.666 1.00 0.00 C ATOM 0 H VAL A 44 -4.438 5.041 1.112 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.209 5.081 4.041 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.816 5.295 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.276 2.907 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.700 3.064 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.912 2.728 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.653 4.596 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.228 4.565 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.587 6.099 1.496 1.00 0.00 H new ATOM 663 N PHE A 45 -3.399 7.567 3.954 1.00 0.00 N ATOM 664 CA PHE A 45 -3.015 8.972 3.862 1.00 0.00 C ATOM 665 C PHE A 45 -1.575 9.033 3.290 1.00 0.00 C ATOM 666 O PHE A 45 -0.860 8.031 3.369 1.00 0.00 O ATOM 667 CB PHE A 45 -3.137 9.601 5.257 1.00 0.00 C ATOM 668 CG PHE A 45 -4.572 9.661 5.760 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.462 10.603 5.207 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.026 8.783 6.762 1.00 0.00 C ATOM 671 CE1 PHE A 45 -6.797 10.658 5.646 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.357 8.843 7.209 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.244 9.780 6.649 1.00 0.00 C ATOM 0 H PHE A 45 -3.401 7.196 4.904 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.663 9.540 3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.535 9.028 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.724 10.610 5.232 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.118 11.285 4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.348 8.059 7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.479 11.375 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.698 8.170 7.982 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.268 9.825 6.989 1.00 0.00 H new ATOM 683 N PRO A 46 -1.094 10.168 2.743 1.00 0.00 N ATOM 684 CA PRO A 46 0.232 10.277 2.108 1.00 0.00 C ATOM 685 C PRO A 46 1.427 9.795 2.957 1.00 0.00 C ATOM 686 O PRO A 46 2.455 9.386 2.415 1.00 0.00 O ATOM 687 CB PRO A 46 0.370 11.758 1.741 1.00 0.00 C ATOM 688 CG PRO A 46 -1.070 12.198 1.501 1.00 0.00 C ATOM 689 CD PRO A 46 -1.853 11.393 2.534 1.00 0.00 C ATOM 0 HA PRO A 46 0.272 9.606 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.836 12.329 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.986 11.896 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.194 13.271 1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.396 11.976 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.959 11.950 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.859 11.173 2.177 1.00 0.00 H new ATOM 697 N ASN A 47 1.279 9.798 4.287 1.00 0.00 N ATOM 698 CA ASN A 47 2.221 9.271 5.271 1.00 0.00 C ATOM 699 C ASN A 47 2.199 7.732 5.445 1.00 0.00 C ATOM 700 O ASN A 47 3.037 7.205 6.173 1.00 0.00 O ATOM 701 CB ASN A 47 1.966 9.989 6.609 1.00 0.00 C ATOM 702 CG ASN A 47 0.551 9.781 7.134 1.00 0.00 C ATOM 703 OD1 ASN A 47 0.073 8.665 7.280 1.00 0.00 O ATOM 704 ND2 ASN A 47 -0.179 10.843 7.406 1.00 0.00 N ATOM 0 H ASN A 47 0.448 10.193 4.727 1.00 0.00 H new ATOM 0 HA ASN A 47 3.224 9.474 4.897 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.680 9.629 7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.148 11.056 6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.138 10.732 7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.214 11.776 7.286 1.00 0.00 H new ATOM 711 N GLY A 48 1.267 7.011 4.808 1.00 0.00 N ATOM 712 CA GLY A 48 1.136 5.551 4.857 1.00 0.00 C ATOM 713 C GLY A 48 0.086 5.023 5.843 1.00 0.00 C ATOM 714 O GLY A 48 -0.134 3.814 5.896 1.00 0.00 O ATOM 0 H GLY A 48 0.556 7.447 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.888 5.191 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.104 5.124 5.118 1.00 0.00 H new ATOM 718 N THR A 49 -0.577 5.896 6.611 1.00 0.00 N ATOM 719 CA THR A 49 -1.595 5.509 7.599 1.00 0.00 C ATOM 720 C THR A 49 -2.876 5.076 6.888 1.00 0.00 C ATOM 721 O THR A 49 -3.483 5.884 6.187 1.00 0.00 O ATOM 722 CB THR A 49 -1.916 6.660 8.570 1.00 0.00 C ATOM 723 OG1 THR A 49 -0.731 7.145 9.152 1.00 0.00 O ATOM 724 CG2 THR A 49 -2.835 6.223 9.713 1.00 0.00 C ATOM 0 H THR A 49 -0.421 6.903 6.564 1.00 0.00 H new ATOM 0 HA THR A 49 -1.190 4.679 8.177 1.00 0.00 H new ATOM 0 HB THR A 49 -2.418 7.427 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.435 7.947 8.672 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.030 7.072 10.368 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.777 5.857 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.354 5.428 10.283 1.00 0.00 H new ATOM 732 N GLU A 50 -3.286 3.817 7.063 1.00 0.00 N ATOM 733 CA GLU A 50 -4.538 3.259 6.541 1.00 0.00 C ATOM 734 C GLU A 50 -5.786 4.068 6.939 1.00 0.00 C ATOM 735 O GLU A 50 -5.862 4.621 8.035 1.00 0.00 O ATOM 736 CB GLU A 50 -4.645 1.802 7.037 1.00 0.00 C ATOM 737 CG GLU A 50 -5.940 1.081 6.631 1.00 0.00 C ATOM 738 CD GLU A 50 -5.971 -0.361 7.131 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.403 -1.232 6.436 1.00 0.00 O ATOM 740 OE2 GLU A 50 -6.582 -0.573 8.201 1.00 0.00 O ATOM 0 H GLU A 50 -2.739 3.135 7.589 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.507 3.304 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.795 1.238 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.567 1.796 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.797 1.622 7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.035 1.091 5.545 1.00 0.00 H new ATOM 747 N VAL A 51 -6.788 4.070 6.051 1.00 0.00 N ATOM 748 CA VAL A 51 -8.156 4.544 6.289 1.00 0.00 C ATOM 749 C VAL A 51 -8.985 3.280 6.621 1.00 0.00 C ATOM 750 O VAL A 51 -9.483 2.626 5.692 1.00 0.00 O ATOM 751 CB VAL A 51 -8.700 5.301 5.060 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.079 5.901 5.370 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.772 6.444 4.628 1.00 0.00 C ATOM 0 H VAL A 51 -6.660 3.724 5.100 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.205 5.260 7.110 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.767 4.573 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.450 6.432 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.773 5.102 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.994 6.595 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.196 6.948 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.667 7.157 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.793 6.040 4.371 1.00 0.00 H new ATOM 763 N PRO A 52 -9.141 2.897 7.910 1.00 0.00 N ATOM 764 CA PRO A 52 -9.652 1.588 8.369 1.00 0.00 C ATOM 765 C PRO A 52 -11.141 1.282 8.146 1.00 0.00 C ATOM 766 O PRO A 52 -11.732 0.436 8.812 1.00 0.00 O ATOM 767 CB PRO A 52 -9.245 1.506 9.846 1.00 0.00 C ATOM 768 CG PRO A 52 -9.358 2.958 10.291 1.00 0.00 C ATOM 769 CD PRO A 52 -8.794 3.697 9.080 1.00 0.00 C ATOM 0 HA PRO A 52 -9.212 0.810 7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.907 0.853 10.415 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.233 1.120 9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.389 3.243 10.501 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.782 3.155 11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.217 4.699 9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.713 3.813 9.165 1.00 0.00 H new ATOM 777 N ASN A 53 -11.756 1.951 7.178 1.00 0.00 N ATOM 778 CA ASN A 53 -13.087 1.668 6.653 1.00 0.00 C ATOM 779 C ASN A 53 -13.089 1.457 5.128 1.00 0.00 C ATOM 780 O ASN A 53 -14.124 1.128 4.559 1.00 0.00 O ATOM 781 CB ASN A 53 -14.082 2.764 7.092 1.00 0.00 C ATOM 782 CG ASN A 53 -14.461 2.814 8.573 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.227 3.669 8.983 1.00 0.00 O ATOM 784 ND2 ASN A 53 -13.982 1.936 9.433 1.00 0.00 N ATOM 0 H ASN A 53 -11.317 2.746 6.714 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.417 0.721 7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.661 3.731 6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.997 2.640 6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.254 1.983 10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.339 1.210 9.116 1.00 0.00 H new ATOM 791 N THR A 54 -11.933 1.594 4.466 1.00 0.00 N ATOM 792 CA THR A 54 -11.763 1.308 3.033 1.00 0.00 C ATOM 793 C THR A 54 -11.457 -0.160 2.752 1.00 0.00 C ATOM 794 O THR A 54 -11.690 -0.607 1.631 1.00 0.00 O ATOM 795 CB THR A 54 -10.661 2.187 2.420 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.430 2.034 3.110 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.097 3.653 2.476 1.00 0.00 C ATOM 0 H THR A 54 -11.075 1.912 4.917 1.00 0.00 H new ATOM 0 HA THR A 54 -12.720 1.542 2.566 1.00 0.00 H new ATOM 0 HB THR A 54 -10.510 1.875 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.445 2.572 3.929 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.319 4.281 2.042 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.021 3.779 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.262 3.944 3.513 1.00 0.00 H new ATOM 805 N ARG A 55 -10.986 -0.921 3.753 1.00 0.00 N ATOM 806 CA ARG A 55 -10.518 -2.302 3.658 1.00 0.00 C ATOM 807 C ARG A 55 -11.466 -3.188 2.835 1.00 0.00 C ATOM 808 O ARG A 55 -12.525 -3.585 3.314 1.00 0.00 O ATOM 809 CB ARG A 55 -10.339 -2.835 5.087 1.00 0.00 C ATOM 810 CG ARG A 55 -9.105 -2.219 5.788 1.00 0.00 C ATOM 811 CD ARG A 55 -8.245 -3.283 6.476 1.00 0.00 C ATOM 812 NE ARG A 55 -7.831 -4.309 5.508 1.00 0.00 N ATOM 813 CZ ARG A 55 -6.630 -4.539 4.999 1.00 0.00 C ATOM 814 NH1 ARG A 55 -5.591 -3.785 5.270 1.00 0.00 N ATOM 815 NH2 ARG A 55 -6.454 -5.545 4.173 1.00 0.00 N ATOM 0 H ARG A 55 -10.920 -0.561 4.705 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.567 -2.327 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.234 -2.616 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.235 -3.920 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.502 -1.683 5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.435 -1.487 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.366 -2.817 6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.807 -3.745 7.288 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.572 -4.930 5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.690 -2.985 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.684 -3.999 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.241 -6.146 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.531 -5.726 3.779 1.00 0.00 H new ATOM 829 N SER A 56 -11.082 -3.473 1.587 1.00 0.00 N ATOM 830 CA SER A 56 -11.920 -4.151 0.588 1.00 0.00 C ATOM 831 C SER A 56 -11.120 -5.219 -0.158 1.00 0.00 C ATOM 832 O SER A 56 -9.891 -5.192 -0.151 1.00 0.00 O ATOM 833 CB SER A 56 -12.454 -3.144 -0.443 1.00 0.00 C ATOM 834 OG SER A 56 -13.154 -2.060 0.136 1.00 0.00 O ATOM 0 H SER A 56 -10.156 -3.233 1.232 1.00 0.00 H new ATOM 0 HA SER A 56 -12.750 -4.616 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.619 -2.757 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.115 -3.663 -1.137 1.00 0.00 H new ATOM 0 HG SER A 56 -12.540 -1.531 0.687 1.00 0.00 H new ATOM 840 N ARG A 57 -11.806 -6.110 -0.889 1.00 0.00 N ATOM 841 CA ARG A 57 -11.189 -7.178 -1.698 1.00 0.00 C ATOM 842 C ARG A 57 -10.573 -6.690 -3.026 1.00 0.00 C ATOM 843 O ARG A 57 -10.154 -7.488 -3.860 1.00 0.00 O ATOM 844 CB ARG A 57 -12.199 -8.319 -1.941 1.00 0.00 C ATOM 845 CG ARG A 57 -12.853 -8.899 -0.672 1.00 0.00 C ATOM 846 CD ARG A 57 -11.875 -9.269 0.452 1.00 0.00 C ATOM 847 NE ARG A 57 -10.869 -10.266 0.044 1.00 0.00 N ATOM 848 CZ ARG A 57 -10.899 -11.574 0.261 1.00 0.00 C ATOM 849 NH1 ARG A 57 -11.974 -12.161 0.731 1.00 0.00 N ATOM 850 NH2 ARG A 57 -9.846 -12.320 0.019 1.00 0.00 N ATOM 0 H ARG A 57 -12.825 -6.111 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.349 -7.553 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.986 -7.952 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.691 -9.126 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.568 -8.173 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.419 -9.789 -0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.366 -8.367 0.793 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.438 -9.657 1.301 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.058 -9.910 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.807 -11.610 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.976 -13.168 0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.991 -11.895 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.883 -13.325 0.190 1.00 0.00 H new ATOM 864 N GLY A 58 -10.542 -5.373 -3.234 1.00 0.00 N ATOM 865 CA GLY A 58 -10.152 -4.700 -4.471 1.00 0.00 C ATOM 866 C GLY A 58 -10.137 -3.176 -4.318 1.00 0.00 C ATOM 867 O GLY A 58 -10.358 -2.659 -3.224 1.00 0.00 O ATOM 0 H GLY A 58 -10.803 -4.712 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.163 -5.043 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.843 -4.977 -5.267 1.00 0.00 H new ATOM 871 N HIS A 59 -9.835 -2.477 -5.418 1.00 0.00 N ATOM 872 CA HIS A 59 -9.556 -1.036 -5.470 1.00 0.00 C ATOM 873 C HIS A 59 -10.736 -0.136 -5.045 1.00 0.00 C ATOM 874 O HIS A 59 -11.895 -0.545 -5.065 1.00 0.00 O ATOM 875 CB HIS A 59 -9.127 -0.666 -6.902 1.00 0.00 C ATOM 876 CG HIS A 59 -8.221 -1.666 -7.586 1.00 0.00 C ATOM 877 ND1 HIS A 59 -8.497 -2.319 -8.766 1.00 0.00 N ATOM 878 CD2 HIS A 59 -7.011 -2.121 -7.136 1.00 0.00 C ATOM 879 CE1 HIS A 59 -7.468 -3.147 -9.023 1.00 0.00 C ATOM 880 NE2 HIS A 59 -6.545 -3.063 -8.054 1.00 0.00 N ATOM 0 H HIS A 59 -9.776 -2.918 -6.336 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.764 -0.851 -4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -10.023 -0.537 -7.510 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.620 0.298 -6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.508 -1.807 -6.233 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.396 -3.789 -9.888 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.671 -3.586 -7.999 1.00 0.00 H new ATOM 888 N HIS A 60 -10.430 1.132 -4.734 1.00 0.00 N ATOM 889 CA HIS A 60 -11.391 2.191 -4.400 1.00 0.00 C ATOM 890 C HIS A 60 -10.800 3.586 -4.704 1.00 0.00 C ATOM 891 O HIS A 60 -9.600 3.729 -4.943 1.00 0.00 O ATOM 892 CB HIS A 60 -11.900 2.040 -2.945 1.00 0.00 C ATOM 893 CG HIS A 60 -11.028 1.215 -2.029 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.342 -0.003 -1.474 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.733 1.484 -1.696 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.246 -0.441 -0.830 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.241 0.433 -0.938 1.00 0.00 N ATOM 0 H HIS A 60 -9.465 1.461 -4.708 1.00 0.00 H new ATOM 0 HA HIS A 60 -12.268 2.087 -5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.010 3.035 -2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.893 1.592 -2.972 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.239 -0.484 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.182 2.370 -1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.186 -1.377 -0.295 1.00 0.00 H new ATOM 905 N ASN A 61 -11.652 4.620 -4.698 1.00 0.00 N ATOM 906 CA ASN A 61 -11.423 5.988 -5.177 1.00 0.00 C ATOM 907 C ASN A 61 -10.568 6.854 -4.230 1.00 0.00 C ATOM 908 O ASN A 61 -10.948 7.979 -3.884 1.00 0.00 O ATOM 909 CB ASN A 61 -12.802 6.629 -5.448 1.00 0.00 C ATOM 910 CG ASN A 61 -13.680 5.791 -6.368 1.00 0.00 C ATOM 911 OD1 ASN A 61 -14.249 4.791 -5.960 1.00 0.00 O ATOM 912 ND2 ASN A 61 -13.811 6.163 -7.626 1.00 0.00 N ATOM 0 H ASN A 61 -12.596 4.511 -4.327 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.832 5.935 -6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.319 6.779 -4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.657 7.614 -5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.390 5.615 -8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.334 6.999 -7.963 1.00 0.00 H new ATOM 919 N CYS A 62 -9.420 6.329 -3.792 1.00 0.00 N ATOM 920 CA CYS A 62 -8.616 6.929 -2.733 1.00 0.00 C ATOM 921 C CYS A 62 -8.216 8.380 -3.021 1.00 0.00 C ATOM 922 O CYS A 62 -7.353 8.653 -3.853 1.00 0.00 O ATOM 923 CB CYS A 62 -7.367 6.102 -2.457 1.00 0.00 C ATOM 924 SG CYS A 62 -7.694 4.410 -1.960 1.00 0.00 S ATOM 0 H CYS A 62 -9.023 5.468 -4.168 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.255 6.938 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.748 6.091 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.787 6.592 -1.675 1.00 0.00 H new