USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 511 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 7 THR OG1 : rot -170:sc= 0.361 USER MOD Set 1.2: A 9 THR OG1 : rot -58:sc= 0.0807 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.568 (180deg=-1.04) USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= -0.167 (180deg=-0.919) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 85:sc= 0.43 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 134:sc= -0.393 (180deg=-2.76!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1 X(o=-1,f=-0.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 41 GLN : amide:sc= -5.47 K(o=-5.5,f=-0.71!) USER MOD Single : A 57 SER OG : rot 130:sc= 0.0763 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00525 K(o=-0.0052,f=-0.88) USER MOD Single : A 62 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.014) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0544) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 53.015 -9.812 1.852 1.00 0.00 N ATOM 21 CA GLN A 2 53.651 -8.539 2.174 1.00 0.00 C ATOM 22 C GLN A 2 55.004 -8.768 2.839 1.00 0.00 C ATOM 23 O GLN A 2 55.244 -9.820 3.433 1.00 0.00 O ATOM 24 CB GLN A 2 52.753 -7.729 3.109 1.00 0.00 C ATOM 25 CG GLN A 2 52.779 -8.350 4.507 1.00 0.00 C ATOM 26 CD GLN A 2 51.461 -8.078 5.225 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.792 -9.010 5.670 1.00 0.00 O ATOM 28 NE2 GLN A 2 51.048 -6.848 5.365 1.00 0.00 N ATOM 0 HA GLN A 2 53.804 -7.987 1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 2 53.094 -6.695 3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 2 51.733 -7.712 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 2 52.947 -9.424 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 2 53.608 -7.936 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 2 51.605 -6.078 4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 2 50.168 -6.657 5.844 1.00 0.00 H new ATOM 37 N ILE A 3 55.883 -7.776 2.734 1.00 0.00 N ATOM 38 CA ILE A 3 57.213 -7.873 3.329 1.00 0.00 C ATOM 39 C ILE A 3 57.529 -6.617 4.134 1.00 0.00 C ATOM 40 O ILE A 3 56.970 -5.551 3.879 1.00 0.00 O ATOM 41 CB ILE A 3 58.264 -8.059 2.235 1.00 0.00 C ATOM 42 CG1 ILE A 3 58.047 -7.018 1.138 1.00 0.00 C ATOM 43 CG2 ILE A 3 58.138 -9.462 1.636 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.366 -6.773 0.406 1.00 0.00 C ATOM 0 H ILE A 3 55.700 -6.900 2.245 1.00 0.00 H new ATOM 0 HA ILE A 3 57.231 -8.735 3.997 1.00 0.00 H new ATOM 0 HB ILE A 3 59.258 -7.935 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.288 -7.365 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.680 -6.088 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.888 -9.593 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 3 58.293 -10.206 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 3 57.143 -9.587 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.215 -6.031 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.112 -6.408 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.713 -7.705 -0.040 1.00 0.00 H new ATOM 56 N PHE A 4 58.428 -6.753 5.106 1.00 0.00 N ATOM 57 CA PHE A 4 58.812 -5.625 5.949 1.00 0.00 C ATOM 58 C PHE A 4 60.240 -5.183 5.645 1.00 0.00 C ATOM 59 O PHE A 4 61.149 -6.009 5.562 1.00 0.00 O ATOM 60 CB PHE A 4 58.703 -6.018 7.423 1.00 0.00 C ATOM 61 CG PHE A 4 57.248 -6.144 7.804 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.694 -7.406 8.047 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.451 -4.997 7.911 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.342 -7.523 8.398 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.101 -5.113 8.262 1.00 0.00 C ATOM 66 CZ PHE A 4 54.546 -6.377 8.505 1.00 0.00 C ATOM 0 H PHE A 4 58.902 -7.629 5.328 1.00 0.00 H new ATOM 0 HA PHE A 4 58.137 -4.795 5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.219 -6.962 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.190 -5.269 8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 4 57.309 -8.290 7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 4 56.878 -4.023 7.723 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.915 -8.497 8.586 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.487 -4.229 8.346 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.504 -6.466 8.775 1.00 0.00 H new ATOM 76 N VAL A 5 60.429 -3.876 5.486 1.00 0.00 N ATOM 77 CA VAL A 5 61.750 -3.325 5.198 1.00 0.00 C ATOM 78 C VAL A 5 62.195 -2.398 6.325 1.00 0.00 C ATOM 79 O VAL A 5 61.572 -1.367 6.572 1.00 0.00 O ATOM 80 CB VAL A 5 61.720 -2.552 3.879 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.084 -1.904 3.635 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.400 -3.514 2.732 1.00 0.00 C ATOM 0 H VAL A 5 59.686 -3.180 5.551 1.00 0.00 H new ATOM 0 HA VAL A 5 62.459 -4.149 5.116 1.00 0.00 H new ATOM 0 HB VAL A 5 60.954 -1.778 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 5 63.062 -1.353 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.313 -1.219 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.850 -2.677 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.378 -2.964 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.166 -4.288 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.428 -3.976 2.905 1.00 0.00 H new ATOM 92 N LYS A 6 63.273 -2.775 7.003 1.00 0.00 N ATOM 93 CA LYS A 6 63.787 -1.969 8.105 1.00 0.00 C ATOM 94 C LYS A 6 64.963 -1.113 7.645 1.00 0.00 C ATOM 95 O LYS A 6 65.872 -1.601 6.972 1.00 0.00 O ATOM 96 CB LYS A 6 64.235 -2.879 9.251 1.00 0.00 C ATOM 97 CG LYS A 6 64.898 -2.037 10.345 1.00 0.00 C ATOM 98 CD LYS A 6 64.478 -2.563 11.719 1.00 0.00 C ATOM 99 CE LYS A 6 64.885 -4.032 11.849 1.00 0.00 C ATOM 100 NZ LYS A 6 63.668 -4.891 11.794 1.00 0.00 N ATOM 0 H LYS A 6 63.804 -3.625 6.812 1.00 0.00 H new ATOM 0 HA LYS A 6 62.989 -1.312 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.378 -3.415 9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 6 64.934 -3.629 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 6 65.982 -2.079 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.608 -0.992 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 6 64.949 -1.973 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 6 63.400 -2.461 11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 6 65.571 -4.303 11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 6 65.414 -4.192 12.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 63.889 -5.832 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 62.910 -4.456 12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 63.354 -4.986 10.807 1.00 0.00 H new ATOM 114 N THR A 7 64.940 0.163 8.016 1.00 0.00 N ATOM 115 CA THR A 7 66.007 1.083 7.641 1.00 0.00 C ATOM 116 C THR A 7 66.881 1.411 8.849 1.00 0.00 C ATOM 117 O THR A 7 66.592 0.986 9.967 1.00 0.00 O ATOM 118 CB THR A 7 65.410 2.374 7.076 1.00 0.00 C ATOM 119 OG1 THR A 7 64.864 3.145 8.136 1.00 0.00 O ATOM 120 CG2 THR A 7 64.310 2.032 6.071 1.00 0.00 C ATOM 0 H THR A 7 64.196 0.582 8.574 1.00 0.00 H new ATOM 0 HA THR A 7 66.623 0.604 6.880 1.00 0.00 H new ATOM 0 HB THR A 7 66.190 2.947 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 7 64.345 3.889 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.885 2.952 5.669 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.731 1.441 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.528 1.459 6.569 1.00 0.00 H new ATOM 128 N LEU A 8 67.945 2.169 8.614 1.00 0.00 N ATOM 129 CA LEU A 8 68.854 2.548 9.689 1.00 0.00 C ATOM 130 C LEU A 8 68.112 3.337 10.764 1.00 0.00 C ATOM 131 O LEU A 8 68.591 3.475 11.889 1.00 0.00 O ATOM 132 CB LEU A 8 69.992 3.402 9.125 1.00 0.00 C ATOM 133 CG LEU A 8 71.045 2.502 8.463 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.796 1.683 9.521 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.359 1.547 7.481 1.00 0.00 C ATOM 0 H LEU A 8 68.199 2.531 7.695 1.00 0.00 H new ATOM 0 HA LEU A 8 69.261 1.641 10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.599 4.112 8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.450 3.985 9.924 1.00 0.00 H new ATOM 0 HG LEU A 8 71.758 3.134 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 8 72.538 1.051 9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 8 72.295 2.358 10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 8 71.089 1.057 10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 8 71.107 0.909 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.639 0.929 8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.841 2.124 6.714 1.00 0.00 H new ATOM 147 N THR A 9 66.940 3.853 10.407 1.00 0.00 N ATOM 148 CA THR A 9 66.141 4.630 11.348 1.00 0.00 C ATOM 149 C THR A 9 65.107 3.743 12.036 1.00 0.00 C ATOM 150 O THR A 9 64.307 4.216 12.842 1.00 0.00 O ATOM 151 CB THR A 9 65.433 5.769 10.613 1.00 0.00 C ATOM 152 OG1 THR A 9 64.155 5.327 10.177 1.00 0.00 O ATOM 153 CG2 THR A 9 66.269 6.194 9.406 1.00 0.00 C ATOM 0 H THR A 9 66.525 3.749 9.481 1.00 0.00 H new ATOM 0 HA THR A 9 66.806 5.044 12.106 1.00 0.00 H new ATOM 0 HB THR A 9 65.312 6.618 11.286 1.00 0.00 H new ATOM 0 HG1 THR A 9 64.260 4.545 9.596 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.765 7.006 8.882 1.00 0.00 H new ATOM 0 HG22 THR A 9 67.249 6.533 9.743 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.391 5.347 8.731 1.00 0.00 H new ATOM 161 N GLY A 10 65.131 2.454 11.712 1.00 0.00 N ATOM 162 CA GLY A 10 64.192 1.510 12.306 1.00 0.00 C ATOM 163 C GLY A 10 62.848 1.549 11.585 1.00 0.00 C ATOM 164 O GLY A 10 62.143 0.542 11.512 1.00 0.00 O ATOM 0 H GLY A 10 65.785 2.042 11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.605 0.502 12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.050 1.747 13.360 1.00 0.00 H new ATOM 168 N LYS A 11 62.500 2.716 11.053 1.00 0.00 N ATOM 169 CA LYS A 11 61.239 2.873 10.338 1.00 0.00 C ATOM 170 C LYS A 11 60.972 1.663 9.450 1.00 0.00 C ATOM 171 O LYS A 11 61.558 1.526 8.377 1.00 0.00 O ATOM 172 CB LYS A 11 61.278 4.139 9.481 1.00 0.00 C ATOM 173 CG LYS A 11 59.850 4.563 9.130 1.00 0.00 C ATOM 174 CD LYS A 11 59.890 5.665 8.069 1.00 0.00 C ATOM 175 CE LYS A 11 58.462 6.077 7.708 1.00 0.00 C ATOM 176 NZ LYS A 11 57.707 6.399 8.951 1.00 0.00 N ATOM 0 H LYS A 11 63.069 3.561 11.103 1.00 0.00 H new ATOM 0 HA LYS A 11 60.436 2.956 11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.784 4.940 10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.849 3.957 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.286 3.707 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 11 59.336 4.921 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.444 6.525 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 11 60.413 5.311 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 11 58.479 6.943 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 11 57.966 5.271 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 57.032 7.167 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 57.189 5.556 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 58.371 6.700 9.693 1.00 0.00 H new ATOM 190 N THR A 12 60.083 0.785 9.907 1.00 0.00 N ATOM 191 CA THR A 12 59.748 -0.412 9.145 1.00 0.00 C ATOM 192 C THR A 12 58.684 -0.102 8.097 1.00 0.00 C ATOM 193 O THR A 12 57.602 0.387 8.424 1.00 0.00 O ATOM 194 CB THR A 12 59.235 -1.507 10.085 1.00 0.00 C ATOM 195 OG1 THR A 12 60.070 -1.572 11.232 1.00 0.00 O ATOM 196 CG2 THR A 12 59.253 -2.854 9.359 1.00 0.00 C ATOM 0 H THR A 12 59.586 0.879 10.793 1.00 0.00 H new ATOM 0 HA THR A 12 60.650 -0.759 8.640 1.00 0.00 H new ATOM 0 HB THR A 12 58.215 -1.277 10.391 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.743 -2.271 11.836 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.888 -3.633 10.028 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.612 -2.802 8.479 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.272 -3.088 9.052 1.00 0.00 H new ATOM 204 N ILE A 13 58.999 -0.391 6.838 1.00 0.00 N ATOM 205 CA ILE A 13 58.065 -0.142 5.746 1.00 0.00 C ATOM 206 C ILE A 13 57.471 -1.454 5.246 1.00 0.00 C ATOM 207 O ILE A 13 58.128 -2.495 5.283 1.00 0.00 O ATOM 208 CB ILE A 13 58.778 0.565 4.593 1.00 0.00 C ATOM 209 CG1 ILE A 13 60.022 1.282 5.124 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.835 1.589 3.960 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.639 2.127 4.008 1.00 0.00 C ATOM 0 H ILE A 13 59.890 -0.796 6.550 1.00 0.00 H new ATOM 0 HA ILE A 13 57.263 0.495 6.119 1.00 0.00 H new ATOM 0 HB ILE A 13 59.072 -0.171 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.756 1.916 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.747 0.554 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.344 2.093 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 13 56.948 1.081 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.540 2.324 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.525 2.638 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.920 1.482 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 13 59.913 2.865 3.666 1.00 0.00 H new ATOM 223 N THR A 14 56.229 -1.399 4.780 1.00 0.00 N ATOM 224 CA THR A 14 55.555 -2.591 4.276 1.00 0.00 C ATOM 225 C THR A 14 55.487 -2.565 2.752 1.00 0.00 C ATOM 226 O THR A 14 54.911 -1.651 2.164 1.00 0.00 O ATOM 227 CB THR A 14 54.138 -2.670 4.850 1.00 0.00 C ATOM 228 OG1 THR A 14 54.137 -2.161 6.176 1.00 0.00 O ATOM 229 CG2 THR A 14 53.671 -4.126 4.858 1.00 0.00 C ATOM 0 H THR A 14 55.670 -0.547 4.740 1.00 0.00 H new ATOM 0 HA THR A 14 56.124 -3.467 4.588 1.00 0.00 H new ATOM 0 HB THR A 14 53.461 -2.078 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.230 -2.209 6.544 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.662 -4.182 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.672 -4.514 3.839 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.346 -4.721 5.474 1.00 0.00 H new ATOM 237 N LEU A 15 56.081 -3.577 2.125 1.00 0.00 N ATOM 238 CA LEU A 15 56.090 -3.672 0.668 1.00 0.00 C ATOM 239 C LEU A 15 55.377 -4.942 0.214 1.00 0.00 C ATOM 240 O LEU A 15 55.460 -5.979 0.873 1.00 0.00 O ATOM 241 CB LEU A 15 57.534 -3.689 0.155 1.00 0.00 C ATOM 242 CG LEU A 15 57.879 -2.353 -0.515 1.00 0.00 C ATOM 243 CD1 LEU A 15 57.042 -2.175 -1.784 1.00 0.00 C ATOM 244 CD2 LEU A 15 57.593 -1.202 0.453 1.00 0.00 C ATOM 0 H LEU A 15 56.561 -4.341 2.601 1.00 0.00 H new ATOM 0 HA LEU A 15 55.568 -2.806 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.218 -3.876 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 15 57.664 -4.504 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 15 58.936 -2.350 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 15 57.292 -1.224 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 15 57.254 -2.989 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 15 55.983 -2.184 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 15 57.839 -0.254 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 15 56.537 -1.208 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 15 58.199 -1.323 1.351 1.00 0.00 H new ATOM 256 N GLU A 16 54.678 -4.850 -0.915 1.00 0.00 N ATOM 257 CA GLU A 16 53.952 -5.995 -1.455 1.00 0.00 C ATOM 258 C GLU A 16 54.547 -6.418 -2.793 1.00 0.00 C ATOM 259 O GLU A 16 54.696 -5.604 -3.703 1.00 0.00 O ATOM 260 CB GLU A 16 52.475 -5.640 -1.640 1.00 0.00 C ATOM 261 CG GLU A 16 51.642 -6.357 -0.576 1.00 0.00 C ATOM 262 CD GLU A 16 50.171 -5.982 -0.722 1.00 0.00 C ATOM 263 OE1 GLU A 16 49.338 -6.851 -0.526 1.00 0.00 O ATOM 264 OE2 GLU A 16 49.899 -4.833 -1.022 1.00 0.00 O ATOM 0 H GLU A 16 54.599 -3.998 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 16 54.039 -6.823 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 16 52.336 -4.562 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.142 -5.932 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.762 -7.436 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.997 -6.087 0.418 1.00 0.00 H new ATOM 271 N VAL A 17 54.886 -7.699 -2.906 1.00 0.00 N ATOM 272 CA VAL A 17 55.465 -8.222 -4.138 1.00 0.00 C ATOM 273 C VAL A 17 55.073 -9.684 -4.334 1.00 0.00 C ATOM 274 O VAL A 17 54.604 -10.338 -3.403 1.00 0.00 O ATOM 275 CB VAL A 17 56.990 -8.104 -4.089 1.00 0.00 C ATOM 276 CG1 VAL A 17 57.385 -6.638 -3.903 1.00 0.00 C ATOM 277 CG2 VAL A 17 57.527 -8.929 -2.917 1.00 0.00 C ATOM 0 H VAL A 17 54.771 -8.390 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 17 55.082 -7.638 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 17 57.413 -8.477 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 17 58.471 -6.555 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 17 57.003 -6.050 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.963 -6.263 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 17 58.613 -8.846 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 17 57.103 -8.555 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.247 -9.974 -3.049 1.00 0.00 H new ATOM 287 N GLU A 18 55.270 -10.186 -5.549 1.00 0.00 N ATOM 288 CA GLU A 18 54.934 -11.573 -5.857 1.00 0.00 C ATOM 289 C GLU A 18 56.068 -12.231 -6.647 1.00 0.00 C ATOM 290 O GLU A 18 56.850 -11.544 -7.305 1.00 0.00 O ATOM 291 CB GLU A 18 53.642 -11.622 -6.678 1.00 0.00 C ATOM 292 CG GLU A 18 52.452 -11.863 -5.747 1.00 0.00 C ATOM 293 CD GLU A 18 52.367 -10.747 -4.712 1.00 0.00 C ATOM 294 OE1 GLU A 18 52.528 -9.599 -5.094 1.00 0.00 O ATOM 295 OE2 GLU A 18 52.147 -11.056 -3.552 1.00 0.00 O ATOM 0 H GLU A 18 55.657 -9.659 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 18 54.792 -12.115 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.508 -10.686 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.702 -12.416 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 18 51.529 -11.905 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.559 -12.826 -5.248 1.00 0.00 H new ATOM 302 N PRO A 19 56.172 -13.538 -6.601 1.00 0.00 N ATOM 303 CA PRO A 19 57.233 -14.282 -7.332 1.00 0.00 C ATOM 304 C PRO A 19 57.520 -13.678 -8.705 1.00 0.00 C ATOM 305 O PRO A 19 58.674 -13.584 -9.122 1.00 0.00 O ATOM 306 CB PRO A 19 56.647 -15.686 -7.467 1.00 0.00 C ATOM 307 CG PRO A 19 55.733 -15.855 -6.297 1.00 0.00 C ATOM 308 CD PRO A 19 55.294 -14.454 -5.851 1.00 0.00 C ATOM 0 HA PRO A 19 58.189 -14.257 -6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 19 56.105 -15.796 -8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 19 57.433 -16.441 -7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 19 54.868 -16.459 -6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 19 56.241 -16.375 -5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 19 54.244 -14.275 -6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 19 55.411 -14.325 -4.775 1.00 0.00 H new ATOM 316 N SER A 20 56.464 -13.270 -9.400 1.00 0.00 N ATOM 317 CA SER A 20 56.613 -12.679 -10.725 1.00 0.00 C ATOM 318 C SER A 20 57.480 -11.424 -10.660 1.00 0.00 C ATOM 319 O SER A 20 58.463 -11.300 -11.392 1.00 0.00 O ATOM 320 CB SER A 20 55.241 -12.322 -11.296 1.00 0.00 C ATOM 321 OG SER A 20 54.354 -12.013 -10.229 1.00 0.00 O ATOM 0 H SER A 20 55.501 -13.337 -9.071 1.00 0.00 H new ATOM 0 HA SER A 20 57.098 -13.409 -11.373 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.326 -11.471 -11.972 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.849 -13.155 -11.880 1.00 0.00 H new ATOM 0 HG SER A 20 54.458 -11.071 -9.979 1.00 0.00 H new ATOM 327 N ASP A 21 57.108 -10.499 -9.784 1.00 0.00 N ATOM 328 CA ASP A 21 57.860 -9.256 -9.636 1.00 0.00 C ATOM 329 C ASP A 21 59.172 -9.507 -8.901 1.00 0.00 C ATOM 330 O ASP A 21 59.237 -10.327 -7.986 1.00 0.00 O ATOM 331 CB ASP A 21 57.028 -8.232 -8.863 1.00 0.00 C ATOM 332 CG ASP A 21 55.554 -8.619 -8.900 1.00 0.00 C ATOM 333 OD1 ASP A 21 55.113 -9.100 -9.931 1.00 0.00 O ATOM 334 OD2 ASP A 21 54.885 -8.424 -7.899 1.00 0.00 O ATOM 0 H ASP A 21 56.298 -10.583 -9.170 1.00 0.00 H new ATOM 0 HA ASP A 21 58.083 -8.868 -10.630 1.00 0.00 H new ATOM 0 HB2 ASP A 21 57.372 -8.178 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.163 -7.241 -9.296 1.00 0.00 H new ATOM 339 N THR A 22 60.217 -8.790 -9.307 1.00 0.00 N ATOM 340 CA THR A 22 61.527 -8.939 -8.683 1.00 0.00 C ATOM 341 C THR A 22 61.822 -7.749 -7.773 1.00 0.00 C ATOM 342 O THR A 22 61.097 -6.754 -7.783 1.00 0.00 O ATOM 343 CB THR A 22 62.610 -9.042 -9.757 1.00 0.00 C ATOM 344 OG1 THR A 22 62.489 -7.948 -10.655 1.00 0.00 O ATOM 345 CG2 THR A 22 62.448 -10.354 -10.524 1.00 0.00 C ATOM 0 H THR A 22 60.182 -8.104 -10.061 1.00 0.00 H new ATOM 0 HA THR A 22 61.523 -9.850 -8.085 1.00 0.00 H new ATOM 0 HB THR A 22 63.593 -9.019 -9.286 1.00 0.00 H new ATOM 0 HG1 THR A 22 63.184 -8.011 -11.343 1.00 0.00 H new ATOM 0 HG21 THR A 22 63.221 -10.426 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 22 62.541 -11.193 -9.834 1.00 0.00 H new ATOM 0 HG23 THR A 22 61.466 -10.380 -10.996 1.00 0.00 H new ATOM 353 N ILE A 23 62.887 -7.861 -6.987 1.00 0.00 N ATOM 354 CA ILE A 23 63.266 -6.787 -6.076 1.00 0.00 C ATOM 355 C ILE A 23 63.343 -5.458 -6.818 1.00 0.00 C ATOM 356 O ILE A 23 63.378 -4.392 -6.202 1.00 0.00 O ATOM 357 CB ILE A 23 64.622 -7.092 -5.435 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.668 -8.563 -5.005 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.823 -6.199 -4.209 1.00 0.00 C ATOM 360 CD1 ILE A 23 63.405 -8.910 -4.218 1.00 0.00 C ATOM 0 H ILE A 23 63.499 -8.677 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 23 62.506 -6.715 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 23 65.414 -6.899 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 23 64.750 -9.206 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.551 -8.745 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 23 65.789 -6.418 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.793 -5.152 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.030 -6.390 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.442 -9.956 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 23 63.343 -8.277 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 23 62.529 -8.745 -4.845 1.00 0.00 H new ATOM 372 N GLU A 24 63.370 -5.525 -8.146 1.00 0.00 N ATOM 373 CA GLU A 24 63.442 -4.319 -8.960 1.00 0.00 C ATOM 374 C GLU A 24 62.265 -3.399 -8.655 1.00 0.00 C ATOM 375 O GLU A 24 62.435 -2.192 -8.480 1.00 0.00 O ATOM 376 CB GLU A 24 63.431 -4.688 -10.444 1.00 0.00 C ATOM 377 CG GLU A 24 64.349 -3.735 -11.214 1.00 0.00 C ATOM 378 CD GLU A 24 65.808 -4.088 -10.947 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.051 -4.891 -10.060 1.00 0.00 O ATOM 380 OE2 GLU A 24 66.662 -3.551 -11.632 1.00 0.00 O ATOM 0 H GLU A 24 63.343 -6.396 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 24 64.369 -3.798 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 24 63.765 -5.717 -10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 24 62.416 -4.629 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 24 64.140 -3.799 -12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.154 -2.706 -10.912 1.00 0.00 H new ATOM 387 N ASN A 25 61.070 -3.978 -8.587 1.00 0.00 N ATOM 388 CA ASN A 25 59.872 -3.202 -8.298 1.00 0.00 C ATOM 389 C ASN A 25 59.904 -2.683 -6.864 1.00 0.00 C ATOM 390 O ASN A 25 59.455 -1.571 -6.585 1.00 0.00 O ATOM 391 CB ASN A 25 58.627 -4.070 -8.500 1.00 0.00 C ATOM 392 CG ASN A 25 58.069 -3.865 -9.904 1.00 0.00 C ATOM 393 OD1 ASN A 25 57.242 -2.980 -10.121 1.00 0.00 O ATOM 394 ND2 ASN A 25 58.474 -4.635 -10.876 1.00 0.00 N ATOM 0 H ASN A 25 60.907 -4.975 -8.727 1.00 0.00 H new ATOM 0 HA ASN A 25 59.838 -2.352 -8.980 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.878 -5.120 -8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 25 57.871 -3.813 -7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 25 58.105 -4.504 -11.818 1.00 0.00 H new ATOM 0 HD22 ASN A 25 59.160 -5.368 -10.694 1.00 0.00 H new ATOM 401 N ALA A 26 60.441 -3.495 -5.959 1.00 0.00 N ATOM 402 CA ALA A 26 60.529 -3.108 -4.556 1.00 0.00 C ATOM 403 C ALA A 26 61.434 -1.892 -4.392 1.00 0.00 C ATOM 404 O ALA A 26 61.105 -0.955 -3.664 1.00 0.00 O ATOM 405 CB ALA A 26 61.078 -4.271 -3.728 1.00 0.00 C ATOM 0 H ALA A 26 60.819 -4.419 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 26 59.529 -2.852 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 26 61.141 -3.974 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.414 -5.130 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 26 62.071 -4.538 -4.090 1.00 0.00 H new ATOM 411 N LYS A 27 62.575 -1.911 -5.074 1.00 0.00 N ATOM 412 CA LYS A 27 63.518 -0.802 -4.994 1.00 0.00 C ATOM 413 C LYS A 27 62.890 0.474 -5.546 1.00 0.00 C ATOM 414 O LYS A 27 63.024 1.547 -4.958 1.00 0.00 O ATOM 415 CB LYS A 27 64.782 -1.136 -5.789 1.00 0.00 C ATOM 416 CG LYS A 27 65.767 -1.887 -4.893 1.00 0.00 C ATOM 417 CD LYS A 27 66.871 -2.505 -5.753 1.00 0.00 C ATOM 418 CE LYS A 27 68.232 -2.250 -5.100 1.00 0.00 C ATOM 419 NZ LYS A 27 68.512 -0.786 -5.094 1.00 0.00 N ATOM 0 H LYS A 27 62.867 -2.675 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 27 63.778 -0.643 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.528 -1.744 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 27 65.241 -0.221 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 27 66.200 -1.206 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.247 -2.666 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.704 -3.576 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.850 -2.075 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 27 68.237 -2.636 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 27 69.014 -2.779 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 68.861 -0.503 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 69.232 -0.567 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 67.638 -0.265 -5.310 1.00 0.00 H new ATOM 433 N ALA A 28 62.203 0.348 -6.676 1.00 0.00 N ATOM 434 CA ALA A 28 61.555 1.496 -7.298 1.00 0.00 C ATOM 435 C ALA A 28 60.363 1.954 -6.462 1.00 0.00 C ATOM 436 O ALA A 28 60.090 3.149 -6.354 1.00 0.00 O ATOM 437 CB ALA A 28 61.085 1.132 -8.707 1.00 0.00 C ATOM 0 H ALA A 28 62.081 -0.532 -7.177 1.00 0.00 H new ATOM 0 HA ALA A 28 62.277 2.310 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 28 60.602 1.996 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.942 0.834 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 28 60.375 0.307 -8.652 1.00 0.00 H new ATOM 443 N LYS A 29 59.656 0.994 -5.876 1.00 0.00 N ATOM 444 CA LYS A 29 58.494 1.310 -5.053 1.00 0.00 C ATOM 445 C LYS A 29 58.914 2.093 -3.814 1.00 0.00 C ATOM 446 O LYS A 29 58.294 3.099 -3.465 1.00 0.00 O ATOM 447 CB LYS A 29 57.788 0.020 -4.630 1.00 0.00 C ATOM 448 CG LYS A 29 56.857 -0.445 -5.751 1.00 0.00 C ATOM 449 CD LYS A 29 56.410 -1.882 -5.481 1.00 0.00 C ATOM 450 CE LYS A 29 55.378 -2.300 -6.530 1.00 0.00 C ATOM 451 NZ LYS A 29 54.006 -2.066 -6.000 1.00 0.00 N ATOM 0 H LYS A 29 59.864 -0.001 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 29 57.810 1.922 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.523 -0.754 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.218 0.188 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.989 0.211 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 29 57.370 -0.387 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 29 57.268 -2.553 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.981 -1.959 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 29 55.526 -1.731 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 29 55.507 -3.352 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 53.305 -2.350 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.867 -2.627 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.886 -1.057 -5.780 1.00 0.00 H new ATOM 465 N ILE A 30 59.971 1.630 -3.156 1.00 0.00 N ATOM 466 CA ILE A 30 60.465 2.297 -1.958 1.00 0.00 C ATOM 467 C ILE A 30 60.894 3.724 -2.280 1.00 0.00 C ATOM 468 O ILE A 30 60.754 4.627 -1.455 1.00 0.00 O ATOM 469 CB ILE A 30 61.651 1.523 -1.382 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.125 0.378 -0.517 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.514 2.454 -0.526 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.270 -0.580 -0.192 1.00 0.00 C ATOM 0 H ILE A 30 60.499 0.801 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 30 59.661 2.328 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 30 62.256 1.126 -2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 30 60.693 0.772 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.330 -0.153 -1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.357 1.896 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 30 62.885 3.274 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 30 61.915 2.855 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.897 -1.397 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.681 -0.983 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.050 -0.044 0.349 1.00 0.00 H new ATOM 484 N GLN A 31 61.418 3.919 -3.485 1.00 0.00 N ATOM 485 CA GLN A 31 61.867 5.241 -3.906 1.00 0.00 C ATOM 486 C GLN A 31 60.699 6.221 -3.944 1.00 0.00 C ATOM 487 O GLN A 31 60.832 7.372 -3.535 1.00 0.00 O ATOM 488 CB GLN A 31 62.510 5.158 -5.291 1.00 0.00 C ATOM 489 CG GLN A 31 62.878 6.565 -5.767 1.00 0.00 C ATOM 490 CD GLN A 31 61.784 7.106 -6.684 1.00 0.00 C ATOM 491 OE1 GLN A 31 61.580 6.586 -7.779 1.00 0.00 O ATOM 492 NE2 GLN A 31 61.067 8.124 -6.297 1.00 0.00 N ATOM 0 H GLN A 31 61.542 3.185 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 31 62.601 5.599 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.401 4.531 -5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.822 4.692 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.006 7.226 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.830 6.542 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.239 8.553 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 31 60.334 8.491 -6.904 1.00 0.00 H new ATOM 501 N ASP A 32 59.558 5.760 -4.442 1.00 0.00 N ATOM 502 CA ASP A 32 58.377 6.612 -4.536 1.00 0.00 C ATOM 503 C ASP A 32 57.715 6.783 -3.171 1.00 0.00 C ATOM 504 O ASP A 32 56.897 7.683 -2.980 1.00 0.00 O ATOM 505 CB ASP A 32 57.373 6.001 -5.516 1.00 0.00 C ATOM 506 CG ASP A 32 56.243 6.987 -5.789 1.00 0.00 C ATOM 507 OD1 ASP A 32 55.218 6.880 -5.137 1.00 0.00 O ATOM 508 OD2 ASP A 32 56.419 7.836 -6.649 1.00 0.00 O ATOM 0 H ASP A 32 59.425 4.809 -4.785 1.00 0.00 H new ATOM 0 HA ASP A 32 58.692 7.592 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.874 5.743 -6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.968 5.076 -5.105 1.00 0.00 H new ATOM 513 N LYS A 33 58.064 5.914 -2.227 1.00 0.00 N ATOM 514 CA LYS A 33 57.483 5.984 -0.890 1.00 0.00 C ATOM 515 C LYS A 33 58.357 6.809 0.053 1.00 0.00 C ATOM 516 O LYS A 33 57.846 7.581 0.865 1.00 0.00 O ATOM 517 CB LYS A 33 57.314 4.576 -0.316 1.00 0.00 C ATOM 518 CG LYS A 33 56.459 3.733 -1.263 1.00 0.00 C ATOM 519 CD LYS A 33 55.146 3.358 -0.572 1.00 0.00 C ATOM 520 CE LYS A 33 55.436 2.428 0.607 1.00 0.00 C ATOM 521 NZ LYS A 33 54.861 3.012 1.853 1.00 0.00 N ATOM 0 H LYS A 33 58.739 5.161 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 33 56.510 6.468 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.289 4.109 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 33 56.844 4.627 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.254 4.290 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 33 57.000 2.832 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 33 54.637 4.257 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.478 2.867 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 33 55.006 1.444 0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 33 56.511 2.290 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 55.058 2.380 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 55.291 3.942 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 53.833 3.122 1.743 1.00 0.00 H new ATOM 535 N GLU A 34 59.671 6.632 -0.048 1.00 0.00 N ATOM 536 CA GLU A 34 60.597 7.357 0.818 1.00 0.00 C ATOM 537 C GLU A 34 61.266 8.513 0.077 1.00 0.00 C ATOM 538 O GLU A 34 61.931 9.346 0.691 1.00 0.00 O ATOM 539 CB GLU A 34 61.671 6.400 1.340 1.00 0.00 C ATOM 540 CG GLU A 34 61.014 5.298 2.172 1.00 0.00 C ATOM 541 CD GLU A 34 62.068 4.569 2.997 1.00 0.00 C ATOM 542 OE1 GLU A 34 62.188 4.877 4.172 1.00 0.00 O ATOM 543 OE2 GLU A 34 62.740 3.715 2.444 1.00 0.00 O ATOM 0 H GLU A 34 60.116 6.000 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 34 60.026 7.769 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.219 5.962 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.395 6.945 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.259 5.729 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 34 60.501 4.593 1.517 1.00 0.00 H new ATOM 550 N GLY A 35 61.093 8.558 -1.239 1.00 0.00 N ATOM 551 CA GLY A 35 61.696 9.623 -2.033 1.00 0.00 C ATOM 552 C GLY A 35 63.208 9.442 -2.114 1.00 0.00 C ATOM 553 O GLY A 35 63.933 10.354 -2.513 1.00 0.00 O ATOM 0 H GLY A 35 60.549 7.881 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.270 9.622 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 35 61.463 10.591 -1.589 1.00 0.00 H new ATOM 557 N ILE A 36 63.677 8.258 -1.728 1.00 0.00 N ATOM 558 CA ILE A 36 65.106 7.962 -1.755 1.00 0.00 C ATOM 559 C ILE A 36 65.516 7.420 -3.134 1.00 0.00 C ATOM 560 O ILE A 36 65.099 6.324 -3.507 1.00 0.00 O ATOM 561 CB ILE A 36 65.433 6.915 -0.689 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.118 7.484 0.697 1.00 0.00 C ATOM 563 CG2 ILE A 36 66.916 6.553 -0.765 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.103 6.349 1.724 1.00 0.00 C ATOM 0 H ILE A 36 63.092 7.492 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 36 65.656 8.882 -1.555 1.00 0.00 H new ATOM 0 HB ILE A 36 64.833 6.022 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 36 65.864 8.229 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.152 7.989 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.148 5.807 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.142 6.148 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.518 7.445 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.879 6.754 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 36 64.341 5.620 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 36 66.079 5.864 1.744 1.00 0.00 H new ATOM 576 N PRO A 37 66.316 8.139 -3.903 1.00 0.00 N ATOM 577 CA PRO A 37 66.748 7.659 -5.249 1.00 0.00 C ATOM 578 C PRO A 37 67.184 6.192 -5.214 1.00 0.00 C ATOM 579 O PRO A 37 67.540 5.675 -4.155 1.00 0.00 O ATOM 580 CB PRO A 37 67.922 8.575 -5.599 1.00 0.00 C ATOM 581 CG PRO A 37 67.669 9.841 -4.852 1.00 0.00 C ATOM 582 CD PRO A 37 66.892 9.461 -3.591 1.00 0.00 C ATOM 0 HA PRO A 37 65.943 7.699 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 37 68.871 8.128 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 37 67.974 8.755 -6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 37 68.607 10.332 -4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 37 67.099 10.542 -5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 37 67.545 9.415 -2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 37 66.114 10.191 -3.368 1.00 0.00 H new ATOM 590 N PRO A 38 67.164 5.513 -6.336 1.00 0.00 N ATOM 591 CA PRO A 38 67.568 4.078 -6.405 1.00 0.00 C ATOM 592 C PRO A 38 69.072 3.893 -6.216 1.00 0.00 C ATOM 593 O PRO A 38 69.526 2.835 -5.779 1.00 0.00 O ATOM 594 CB PRO A 38 67.139 3.642 -7.809 1.00 0.00 C ATOM 595 CG PRO A 38 67.102 4.894 -8.619 1.00 0.00 C ATOM 596 CD PRO A 38 66.759 6.029 -7.656 1.00 0.00 C ATOM 0 HA PRO A 38 67.107 3.488 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.842 2.923 -8.229 1.00 0.00 H new ATOM 0 HB3 PRO A 38 66.162 3.158 -7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.064 5.072 -9.100 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.357 4.820 -9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.296 6.943 -7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.696 6.267 -7.682 1.00 0.00 H new ATOM 604 N ASP A 39 69.837 4.925 -6.548 1.00 0.00 N ATOM 605 CA ASP A 39 71.289 4.864 -6.412 1.00 0.00 C ATOM 606 C ASP A 39 71.699 4.942 -4.945 1.00 0.00 C ATOM 607 O ASP A 39 72.762 4.452 -4.562 1.00 0.00 O ATOM 608 CB ASP A 39 71.934 6.017 -7.185 1.00 0.00 C ATOM 609 CG ASP A 39 73.434 5.784 -7.311 1.00 0.00 C ATOM 610 OD1 ASP A 39 74.157 6.210 -6.426 1.00 0.00 O ATOM 611 OD2 ASP A 39 73.840 5.182 -8.293 1.00 0.00 O ATOM 0 H ASP A 39 69.481 5.809 -6.911 1.00 0.00 H new ATOM 0 HA ASP A 39 71.631 3.913 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.486 6.098 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.746 6.960 -6.672 1.00 0.00 H new ATOM 616 N GLN A 40 70.854 5.561 -4.129 1.00 0.00 N ATOM 617 CA GLN A 40 71.144 5.698 -2.704 1.00 0.00 C ATOM 618 C GLN A 40 70.418 4.624 -1.899 1.00 0.00 C ATOM 619 O GLN A 40 70.403 4.668 -0.668 1.00 0.00 O ATOM 620 CB GLN A 40 70.711 7.082 -2.214 1.00 0.00 C ATOM 621 CG GLN A 40 71.890 8.053 -2.311 1.00 0.00 C ATOM 622 CD GLN A 40 71.382 9.489 -2.275 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.245 9.736 -1.876 1.00 0.00 O ATOM 624 NE2 GLN A 40 72.162 10.459 -2.669 1.00 0.00 N ATOM 0 H GLN A 40 69.969 5.973 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 40 72.218 5.578 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.877 7.446 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.361 7.021 -1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.582 7.882 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.443 7.876 -3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 40 73.105 10.253 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.829 11.423 -2.646 1.00 0.00 H new ATOM 633 N GLN A 41 69.819 3.666 -2.602 1.00 0.00 N ATOM 634 CA GLN A 41 69.091 2.586 -1.948 1.00 0.00 C ATOM 635 C GLN A 41 69.771 1.246 -2.215 1.00 0.00 C ATOM 636 O GLN A 41 70.066 0.902 -3.360 1.00 0.00 O ATOM 637 CB GLN A 41 67.647 2.558 -2.466 1.00 0.00 C ATOM 638 CG GLN A 41 67.089 1.134 -2.408 1.00 0.00 C ATOM 639 CD GLN A 41 65.567 1.171 -2.487 1.00 0.00 C ATOM 640 OE1 GLN A 41 65.004 1.630 -3.482 1.00 0.00 O ATOM 641 NE2 GLN A 41 64.861 0.719 -1.487 1.00 0.00 N ATOM 0 H GLN A 41 69.824 3.617 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 41 69.087 2.760 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.026 3.224 -1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.614 2.927 -3.491 1.00 0.00 H new ATOM 0 HG2 GLN A 41 67.491 0.543 -3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.402 0.648 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.328 0.339 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 41 63.842 0.746 -1.529 1.00 0.00 H new ATOM 650 N ARG A 42 70.012 0.491 -1.145 1.00 0.00 N ATOM 651 CA ARG A 42 70.653 -0.813 -1.265 1.00 0.00 C ATOM 652 C ARG A 42 69.911 -1.850 -0.428 1.00 0.00 C ATOM 653 O ARG A 42 69.834 -1.732 0.795 1.00 0.00 O ATOM 654 CB ARG A 42 72.108 -0.728 -0.803 1.00 0.00 C ATOM 655 CG ARG A 42 73.025 -1.212 -1.926 1.00 0.00 C ATOM 656 CD ARG A 42 74.465 -1.280 -1.415 1.00 0.00 C ATOM 657 NE ARG A 42 75.315 -1.943 -2.396 1.00 0.00 N ATOM 658 CZ ARG A 42 76.615 -2.113 -2.178 1.00 0.00 C ATOM 659 NH1 ARG A 42 77.355 -2.709 -3.072 1.00 0.00 N ATOM 660 NH2 ARG A 42 77.153 -1.682 -1.068 1.00 0.00 N ATOM 0 H ARG A 42 69.774 0.760 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 42 70.624 -1.116 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.356 0.298 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.254 -1.337 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.705 -2.194 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 42 72.962 -0.536 -2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.838 -0.274 -1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.498 -1.821 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 42 74.905 -2.283 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 42 76.936 -3.045 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.353 -2.839 -2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 42 76.575 -1.215 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 42 78.151 -1.812 -0.901 1.00 0.00 H new ATOM 674 N LEU A 43 69.365 -2.863 -1.093 1.00 0.00 N ATOM 675 CA LEU A 43 68.629 -3.912 -0.395 1.00 0.00 C ATOM 676 C LEU A 43 69.551 -5.081 -0.060 1.00 0.00 C ATOM 677 O LEU A 43 70.197 -5.647 -0.941 1.00 0.00 O ATOM 678 CB LEU A 43 67.471 -4.406 -1.267 1.00 0.00 C ATOM 679 CG LEU A 43 66.162 -4.336 -0.477 1.00 0.00 C ATOM 680 CD1 LEU A 43 65.807 -2.875 -0.196 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.041 -4.982 -1.293 1.00 0.00 C ATOM 0 H LEU A 43 69.417 -2.980 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 43 68.234 -3.498 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.396 -3.797 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.658 -5.430 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 43 66.282 -4.867 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.875 -2.829 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.605 -2.412 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 43 65.689 -2.341 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.108 -4.933 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 43 64.925 -4.450 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 43 65.290 -6.024 -1.492 1.00 0.00 H new ATOM 693 N ILE A 44 69.607 -5.430 1.224 1.00 0.00 N ATOM 694 CA ILE A 44 70.451 -6.529 1.679 1.00 0.00 C ATOM 695 C ILE A 44 69.592 -7.677 2.202 1.00 0.00 C ATOM 696 O ILE A 44 68.769 -7.490 3.099 1.00 0.00 O ATOM 697 CB ILE A 44 71.390 -6.039 2.788 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.648 -5.430 2.160 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.797 -7.211 3.686 1.00 0.00 C ATOM 700 CD1 ILE A 44 72.257 -4.268 1.242 1.00 0.00 C ATOM 0 H ILE A 44 69.079 -4.968 1.964 1.00 0.00 H new ATOM 0 HA ILE A 44 71.042 -6.888 0.837 1.00 0.00 H new ATOM 0 HB ILE A 44 70.872 -5.288 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.322 -5.078 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 44 73.187 -6.189 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.464 -6.854 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 44 70.907 -7.649 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 44 72.310 -7.965 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 44 73.154 -3.838 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.600 -4.633 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 44 71.738 -3.505 1.822 1.00 0.00 H new ATOM 712 N PHE A 45 69.788 -8.865 1.638 1.00 0.00 N ATOM 713 CA PHE A 45 69.025 -10.032 2.063 1.00 0.00 C ATOM 714 C PHE A 45 69.911 -11.274 2.094 1.00 0.00 C ATOM 715 O PHE A 45 70.320 -11.784 1.051 1.00 0.00 O ATOM 716 CB PHE A 45 67.846 -10.269 1.116 1.00 0.00 C ATOM 717 CG PHE A 45 67.169 -11.570 1.479 1.00 0.00 C ATOM 718 CD1 PHE A 45 66.574 -11.719 2.738 1.00 0.00 C ATOM 719 CD2 PHE A 45 67.141 -12.627 0.561 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.950 -12.925 3.079 1.00 0.00 C ATOM 721 CE2 PHE A 45 66.517 -13.833 0.902 1.00 0.00 C ATOM 722 CZ PHE A 45 65.922 -13.983 2.162 1.00 0.00 C ATOM 0 H PHE A 45 70.462 -9.044 0.893 1.00 0.00 H new ATOM 0 HA PHE A 45 68.648 -9.842 3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 45 67.137 -9.444 1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 45 68.195 -10.303 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.597 -10.904 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 45 67.601 -12.512 -0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 45 65.490 -13.039 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.494 -14.648 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.442 -14.914 2.426 1.00 0.00 H new ATOM 879 N LEU A 56 68.202 -12.376 -6.562 1.00 0.00 N ATOM 880 CA LEU A 56 67.622 -12.421 -5.224 1.00 0.00 C ATOM 881 C LEU A 56 66.210 -12.997 -5.274 1.00 0.00 C ATOM 882 O LEU A 56 65.784 -13.699 -4.358 1.00 0.00 O ATOM 883 CB LEU A 56 67.577 -11.012 -4.624 1.00 0.00 C ATOM 884 CG LEU A 56 68.990 -10.421 -4.560 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.906 -8.895 -4.606 1.00 0.00 C ATOM 886 CD2 LEU A 56 69.670 -10.850 -3.257 1.00 0.00 C ATOM 0 HA LEU A 56 68.245 -13.062 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.934 -10.372 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.144 -11.048 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 56 69.570 -10.783 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.910 -8.474 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.424 -8.585 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 56 68.324 -8.537 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.674 -10.428 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.089 -10.490 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 56 69.731 -11.938 -3.220 1.00 0.00 H new ATOM 898 N SER A 57 65.490 -12.696 -6.349 1.00 0.00 N ATOM 899 CA SER A 57 64.127 -13.190 -6.509 1.00 0.00 C ATOM 900 C SER A 57 64.117 -14.713 -6.595 1.00 0.00 C ATOM 901 O SER A 57 63.151 -15.362 -6.193 1.00 0.00 O ATOM 902 CB SER A 57 63.502 -12.602 -7.773 1.00 0.00 C ATOM 903 OG SER A 57 64.533 -12.169 -8.649 1.00 0.00 O ATOM 0 H SER A 57 65.825 -12.116 -7.118 1.00 0.00 H new ATOM 0 HA SER A 57 63.545 -12.882 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 57 62.880 -13.349 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 57 62.852 -11.765 -7.516 1.00 0.00 H new ATOM 0 HG SER A 57 64.374 -12.531 -9.546 1.00 0.00 H new ATOM 909 N ASP A 58 65.199 -15.276 -7.122 1.00 0.00 N ATOM 910 CA ASP A 58 65.305 -16.724 -7.258 1.00 0.00 C ATOM 911 C ASP A 58 65.220 -17.401 -5.894 1.00 0.00 C ATOM 912 O ASP A 58 65.069 -18.620 -5.804 1.00 0.00 O ATOM 913 CB ASP A 58 66.630 -17.091 -7.930 1.00 0.00 C ATOM 914 CG ASP A 58 66.559 -18.514 -8.475 1.00 0.00 C ATOM 915 OD1 ASP A 58 65.965 -18.695 -9.524 1.00 0.00 O ATOM 916 OD2 ASP A 58 67.093 -19.401 -7.831 1.00 0.00 O ATOM 0 H ASP A 58 66.009 -14.756 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 58 64.476 -17.072 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 58 66.843 -16.393 -8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 58 67.447 -17.007 -7.213 1.00 0.00 H new ATOM 921 N TYR A 59 65.319 -16.605 -4.834 1.00 0.00 N ATOM 922 CA TYR A 59 65.252 -17.143 -3.481 1.00 0.00 C ATOM 923 C TYR A 59 63.801 -17.276 -3.033 1.00 0.00 C ATOM 924 O TYR A 59 63.522 -17.727 -1.923 1.00 0.00 O ATOM 925 CB TYR A 59 66.004 -16.230 -2.514 1.00 0.00 C ATOM 926 CG TYR A 59 66.717 -17.070 -1.484 1.00 0.00 C ATOM 927 CD1 TYR A 59 68.003 -17.560 -1.750 1.00 0.00 C ATOM 928 CD2 TYR A 59 66.094 -17.363 -0.264 1.00 0.00 C ATOM 929 CE1 TYR A 59 68.664 -18.341 -0.794 1.00 0.00 C ATOM 930 CE2 TYR A 59 66.756 -18.144 0.691 1.00 0.00 C ATOM 931 CZ TYR A 59 68.042 -18.633 0.425 1.00 0.00 C ATOM 932 OH TYR A 59 68.695 -19.403 1.367 1.00 0.00 O ATOM 0 H TYR A 59 65.445 -15.594 -4.885 1.00 0.00 H new ATOM 0 HA TYR A 59 65.716 -18.129 -3.479 1.00 0.00 H new ATOM 0 HB2 TYR A 59 66.722 -15.617 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.308 -15.548 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 59 68.483 -17.336 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 59 65.103 -16.986 -0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 59 69.655 -18.718 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 59 66.276 -18.369 1.632 1.00 0.00 H new ATOM 0 HH TYR A 59 68.123 -19.509 2.156 1.00 0.00 H new ATOM 942 N ASN A 60 62.882 -16.883 -3.908 1.00 0.00 N ATOM 943 CA ASN A 60 61.460 -16.967 -3.597 1.00 0.00 C ATOM 944 C ASN A 60 61.151 -16.287 -2.268 1.00 0.00 C ATOM 945 O ASN A 60 60.515 -16.877 -1.396 1.00 0.00 O ATOM 946 CB ASN A 60 61.024 -18.432 -3.536 1.00 0.00 C ATOM 947 CG ASN A 60 61.628 -19.207 -4.701 1.00 0.00 C ATOM 948 OD1 ASN A 60 62.748 -19.708 -4.601 1.00 0.00 O ATOM 949 ND2 ASN A 60 60.948 -19.339 -5.808 1.00 0.00 N ATOM 0 H ASN A 60 63.094 -16.506 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 60 60.909 -16.454 -4.386 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.340 -18.875 -2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 60 59.937 -18.498 -3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 60 61.345 -19.858 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.020 -18.923 -5.889 1.00 0.00 H new ATOM 956 N ILE A 61 61.608 -15.044 -2.120 1.00 0.00 N ATOM 957 CA ILE A 61 61.376 -14.289 -0.890 1.00 0.00 C ATOM 958 C ILE A 61 59.975 -14.562 -0.349 1.00 0.00 C ATOM 959 O ILE A 61 59.007 -14.619 -1.108 1.00 0.00 O ATOM 960 CB ILE A 61 61.535 -12.790 -1.158 1.00 0.00 C ATOM 961 CG1 ILE A 61 62.960 -12.504 -1.647 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.246 -12.003 0.123 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.878 -12.225 -0.457 1.00 0.00 C ATOM 0 H ILE A 61 62.138 -14.541 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 61 62.109 -14.607 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 61 60.828 -12.481 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.336 -13.355 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.956 -11.648 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.360 -10.937 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.227 -12.205 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.945 -12.307 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.887 -12.023 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.508 -11.359 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.894 -13.093 0.202 1.00 0.00 H new ATOM 975 N GLN A 62 59.876 -14.736 0.964 1.00 0.00 N ATOM 976 CA GLN A 62 58.589 -15.009 1.593 1.00 0.00 C ATOM 977 C GLN A 62 57.976 -13.726 2.143 1.00 0.00 C ATOM 978 O GLN A 62 58.577 -12.654 2.063 1.00 0.00 O ATOM 979 CB GLN A 62 58.765 -16.019 2.728 1.00 0.00 C ATOM 980 CG GLN A 62 59.477 -17.265 2.197 1.00 0.00 C ATOM 981 CD GLN A 62 58.997 -18.500 2.951 1.00 0.00 C ATOM 982 OE1 GLN A 62 59.801 -19.218 3.544 1.00 0.00 O ATOM 983 NE2 GLN A 62 57.724 -18.793 2.962 1.00 0.00 N ATOM 0 H GLN A 62 60.665 -14.693 1.609 1.00 0.00 H new ATOM 0 HA GLN A 62 57.920 -15.423 0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.343 -15.574 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 62 57.794 -16.291 3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 62 59.280 -17.380 1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 62 60.555 -17.155 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 62 57.059 -18.196 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 62 57.395 -19.618 3.463 1.00 0.00 H new ATOM 992 N LYS A 63 56.774 -13.842 2.700 1.00 0.00 N ATOM 993 CA LYS A 63 56.086 -12.686 3.259 1.00 0.00 C ATOM 994 C LYS A 63 56.556 -12.420 4.686 1.00 0.00 C ATOM 995 O LYS A 63 57.364 -13.169 5.234 1.00 0.00 O ATOM 996 CB LYS A 63 54.575 -12.924 3.255 1.00 0.00 C ATOM 997 CG LYS A 63 54.289 -14.402 3.529 1.00 0.00 C ATOM 998 CD LYS A 63 52.803 -14.588 3.840 1.00 0.00 C ATOM 999 CE LYS A 63 52.510 -16.071 4.066 1.00 0.00 C ATOM 1000 NZ LYS A 63 52.456 -16.774 2.754 1.00 0.00 N ATOM 0 H LYS A 63 56.260 -14.720 2.775 1.00 0.00 H new ATOM 0 HA LYS A 63 56.319 -11.817 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.097 -12.304 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.153 -12.634 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 63 54.568 -15.003 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.893 -14.750 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 63 52.532 -14.014 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 63 52.198 -14.208 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.282 -16.513 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 63 51.563 -16.189 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 52.124 -17.749 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 51.801 -16.275 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 53.405 -16.789 2.329 1.00 0.00 H new ATOM 1014 N GLU A 64 56.044 -11.348 5.282 1.00 0.00 N ATOM 1015 CA GLU A 64 56.415 -10.990 6.645 1.00 0.00 C ATOM 1016 C GLU A 64 57.926 -11.087 6.835 1.00 0.00 C ATOM 1017 O GLU A 64 58.417 -11.122 7.963 1.00 0.00 O ATOM 1018 CB GLU A 64 55.715 -11.918 7.638 1.00 0.00 C ATOM 1019 CG GLU A 64 54.202 -11.856 7.418 1.00 0.00 C ATOM 1020 CD GLU A 64 53.485 -12.663 8.496 1.00 0.00 C ATOM 1021 OE1 GLU A 64 53.246 -13.837 8.268 1.00 0.00 O ATOM 1022 OE2 GLU A 64 53.187 -12.094 9.533 1.00 0.00 O ATOM 0 H GLU A 64 55.374 -10.715 4.845 1.00 0.00 H new ATOM 0 HA GLU A 64 56.103 -9.961 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 64 56.070 -12.940 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 64 55.957 -11.624 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 64 53.865 -10.820 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 64 53.953 -12.249 6.432 1.00 0.00 H new ATOM 1029 N SER A 65 58.657 -11.126 5.725 1.00 0.00 N ATOM 1030 CA SER A 65 60.110 -11.215 5.785 1.00 0.00 C ATOM 1031 C SER A 65 60.717 -9.841 6.045 1.00 0.00 C ATOM 1032 O SER A 65 60.379 -8.867 5.373 1.00 0.00 O ATOM 1033 CB SER A 65 60.653 -11.776 4.469 1.00 0.00 C ATOM 1034 OG SER A 65 60.878 -13.172 4.611 1.00 0.00 O ATOM 0 H SER A 65 58.270 -11.098 4.782 1.00 0.00 H new ATOM 0 HA SER A 65 60.383 -11.882 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 65 59.945 -11.590 3.661 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.581 -11.272 4.201 1.00 0.00 H new ATOM 0 HG SER A 65 61.224 -13.535 3.769 1.00 0.00 H new ATOM 1040 N THR A 66 61.614 -9.770 7.023 1.00 0.00 N ATOM 1041 CA THR A 66 62.258 -8.506 7.361 1.00 0.00 C ATOM 1042 C THR A 66 63.531 -8.315 6.541 1.00 0.00 C ATOM 1043 O THR A 66 64.519 -9.023 6.738 1.00 0.00 O ATOM 1044 CB THR A 66 62.599 -8.477 8.852 1.00 0.00 C ATOM 1045 OG1 THR A 66 61.466 -8.887 9.604 1.00 0.00 O ATOM 1046 CG2 THR A 66 62.997 -7.057 9.259 1.00 0.00 C ATOM 0 H THR A 66 61.909 -10.564 7.591 1.00 0.00 H new ATOM 0 HA THR A 66 61.567 -7.695 7.130 1.00 0.00 H new ATOM 0 HB THR A 66 63.430 -9.155 9.048 1.00 0.00 H new ATOM 0 HG1 THR A 66 61.684 -8.870 10.559 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.240 -7.038 10.321 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.867 -6.744 8.682 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.168 -6.377 9.064 1.00 0.00 H new ATOM 1054 N LEU A 67 63.502 -7.352 5.625 1.00 0.00 N ATOM 1055 CA LEU A 67 64.662 -7.072 4.782 1.00 0.00 C ATOM 1056 C LEU A 67 65.419 -5.855 5.306 1.00 0.00 C ATOM 1057 O LEU A 67 64.827 -4.945 5.884 1.00 0.00 O ATOM 1058 CB LEU A 67 64.238 -6.827 3.331 1.00 0.00 C ATOM 1059 CG LEU A 67 63.579 -8.082 2.734 1.00 0.00 C ATOM 1060 CD1 LEU A 67 64.520 -9.283 2.830 1.00 0.00 C ATOM 1061 CD2 LEU A 67 62.278 -8.398 3.476 1.00 0.00 C ATOM 0 H LEU A 67 62.694 -6.755 5.447 1.00 0.00 H new ATOM 0 HA LEU A 67 65.316 -7.943 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.541 -5.990 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 67 65.108 -6.549 2.735 1.00 0.00 H new ATOM 0 HG LEU A 67 63.361 -7.884 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 67 64.035 -10.160 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 67 65.437 -9.071 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 67 64.760 -9.475 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 67 61.820 -9.288 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 67 62.494 -8.575 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 67 61.592 -7.556 3.383 1.00 0.00 H new ATOM 1073 N HIS A 68 66.733 -5.855 5.107 1.00 0.00 N ATOM 1074 CA HIS A 68 67.567 -4.753 5.574 1.00 0.00 C ATOM 1075 C HIS A 68 67.816 -3.748 4.452 1.00 0.00 C ATOM 1076 O HIS A 68 68.291 -4.107 3.375 1.00 0.00 O ATOM 1077 CB HIS A 68 68.907 -5.295 6.074 1.00 0.00 C ATOM 1078 CG HIS A 68 68.663 -6.380 7.085 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.035 -7.572 6.753 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.951 -6.470 8.424 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.968 -8.320 7.868 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.511 -7.695 8.917 1.00 0.00 N ATOM 0 H HIS A 68 67.241 -6.600 4.629 1.00 0.00 H new ATOM 0 HA HIS A 68 67.045 -4.249 6.387 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.488 -5.686 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.492 -4.492 6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.444 -5.706 9.007 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.529 -9.306 7.911 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.587 -8.041 9.873 1.00 0.00 H new ATOM 1090 N LEU A 69 67.485 -2.489 4.721 1.00 0.00 N ATOM 1091 CA LEU A 69 67.666 -1.427 3.738 1.00 0.00 C ATOM 1092 C LEU A 69 68.855 -0.548 4.117 1.00 0.00 C ATOM 1093 O LEU A 69 68.826 0.146 5.133 1.00 0.00 O ATOM 1094 CB LEU A 69 66.388 -0.578 3.664 1.00 0.00 C ATOM 1095 CG LEU A 69 66.628 0.689 2.834 1.00 0.00 C ATOM 1096 CD1 LEU A 69 67.268 0.321 1.493 1.00 0.00 C ATOM 1097 CD2 LEU A 69 65.289 1.383 2.578 1.00 0.00 C ATOM 0 H LEU A 69 67.091 -2.180 5.610 1.00 0.00 H new ATOM 0 HA LEU A 69 67.864 -1.873 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.582 -1.162 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.068 -0.305 4.669 1.00 0.00 H new ATOM 0 HG LEU A 69 67.295 1.356 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 69 67.435 1.226 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 69 68.221 -0.178 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.604 -0.347 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.453 2.285 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.628 0.709 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.830 1.651 3.530 1.00 0.00 H new ATOM 1109 N VAL A 70 69.897 -0.581 3.291 1.00 0.00 N ATOM 1110 CA VAL A 70 71.092 0.217 3.545 1.00 0.00 C ATOM 1111 C VAL A 70 71.151 1.402 2.588 1.00 0.00 C ATOM 1112 O VAL A 70 70.715 1.308 1.440 1.00 0.00 O ATOM 1113 CB VAL A 70 72.346 -0.642 3.371 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.538 0.056 4.029 1.00 0.00 C ATOM 1115 CG2 VAL A 70 72.129 -2.005 4.031 1.00 0.00 C ATOM 0 H VAL A 70 69.938 -1.149 2.444 1.00 0.00 H new ATOM 0 HA VAL A 70 71.048 0.587 4.569 1.00 0.00 H new ATOM 0 HB VAL A 70 72.545 -0.780 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.432 -0.556 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.695 1.027 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.337 0.195 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.023 -2.616 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.929 -1.867 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.280 -2.504 3.564 1.00 0.00 H new ATOM 1125 N LEU A 71 71.691 2.516 3.068 1.00 0.00 N ATOM 1126 CA LEU A 71 71.800 3.717 2.247 1.00 0.00 C ATOM 1127 C LEU A 71 73.206 3.854 1.674 1.00 0.00 C ATOM 1128 O LEU A 71 74.172 4.052 2.413 1.00 0.00 O ATOM 1129 CB LEU A 71 71.468 4.953 3.083 1.00 0.00 C ATOM 1130 CG LEU A 71 69.988 4.925 3.472 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.821 5.477 4.889 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.188 5.790 2.493 1.00 0.00 C ATOM 0 H LEU A 71 72.058 2.613 4.015 1.00 0.00 H new ATOM 0 HA LEU A 71 71.092 3.633 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 71 72.090 4.977 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.689 5.858 2.517 1.00 0.00 H new ATOM 0 HG LEU A 71 69.623 3.899 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.767 5.457 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 71 70.391 4.865 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 71 70.186 6.503 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 71 68.134 5.771 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.555 6.816 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.306 5.399 1.482 1.00 0.00 H new ATOM 1144 N ARG A 72 73.314 3.751 0.354 1.00 0.00 N ATOM 1145 CA ARG A 72 74.607 3.870 -0.308 1.00 0.00 C ATOM 1146 C ARG A 72 74.903 5.328 -0.643 1.00 0.00 C ATOM 1147 O ARG A 72 73.996 6.097 -0.955 1.00 0.00 O ATOM 1148 CB ARG A 72 74.620 3.039 -1.591 1.00 0.00 C ATOM 1149 CG ARG A 72 76.001 2.409 -1.768 1.00 0.00 C ATOM 1150 CD ARG A 72 76.053 1.659 -3.098 1.00 0.00 C ATOM 1151 NE ARG A 72 77.129 2.186 -3.930 1.00 0.00 N ATOM 1152 CZ ARG A 72 78.404 1.960 -3.627 1.00 0.00 C ATOM 1153 NH1 ARG A 72 79.350 2.454 -4.379 1.00 0.00 N ATOM 1154 NH2 ARG A 72 78.710 1.246 -2.579 1.00 0.00 N ATOM 0 H ARG A 72 72.528 3.587 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 72 75.375 3.499 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 72 73.856 2.263 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 72 74.382 3.668 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 72 76.770 3.181 -1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 72 76.209 1.726 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 72 76.210 0.595 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 72 75.100 1.758 -3.617 1.00 0.00 H new ATOM 0 HE ARG A 72 76.900 2.737 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 72 79.111 3.013 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 72 80.328 2.281 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 72 77.971 0.860 -1.991 1.00 0.00 H new ATOM 0 HH22 ARG A 72 79.688 1.073 -2.348 1.00 0.00 H new