USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= -0.126 (180deg=-0.923) USER MOD Single : A 7 THR OG1 : rot 83:sc= 1.09 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.169) USER MOD Single : A 17 ASN : amide:sc= -0.0115 K(o=-0.011,f=-1.3!) USER MOD Single : A 20 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-4.1!) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.065 (180deg=-0.515) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.791! C(o=-0.79!,f=-9.2!) USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.061 (180deg=-0.454) USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= -0.0437 (180deg=-0.527) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.877 14.950 29.108 1.00 0.00 N ATOM 2 CA GLY A 1 1.351 14.308 30.345 1.00 0.00 C ATOM 3 C GLY A 1 0.048 14.986 30.759 1.00 0.00 C ATOM 4 O GLY A 1 -0.105 15.410 31.904 1.00 0.00 O ATOM 0 H1 GLY A 1 2.765 14.487 28.827 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.179 14.853 28.343 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.055 15.959 29.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.181 13.246 30.171 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.084 14.386 31.148 1.00 0.00 H new ATOM 10 N SER A 2 -0.885 15.085 29.818 1.00 0.00 N ATOM 11 CA SER A 2 -2.171 15.716 30.094 1.00 0.00 C ATOM 12 C SER A 2 -2.942 14.927 31.148 1.00 0.00 C ATOM 13 O SER A 2 -3.800 15.475 31.840 1.00 0.00 O ATOM 14 CB SER A 2 -2.998 15.799 28.811 1.00 0.00 C ATOM 15 OG SER A 2 -3.299 14.485 28.361 1.00 0.00 O ATOM 0 H SER A 2 -0.777 14.739 28.864 1.00 0.00 H new ATOM 0 HA SER A 2 -1.986 16.721 30.473 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.919 16.353 28.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.446 16.341 28.043 1.00 0.00 H new ATOM 0 HG SER A 2 -3.831 14.534 27.539 1.00 0.00 H new ATOM 21 N VAL A 3 -2.626 13.638 31.270 1.00 0.00 N ATOM 22 CA VAL A 3 -3.291 12.773 32.254 1.00 0.00 C ATOM 23 C VAL A 3 -2.270 11.908 32.985 1.00 0.00 C ATOM 24 O VAL A 3 -2.614 11.175 33.912 1.00 0.00 O ATOM 25 CB VAL A 3 -4.344 11.883 31.575 1.00 0.00 C ATOM 26 CG1 VAL A 3 -5.452 12.760 30.987 1.00 0.00 C ATOM 27 CG2 VAL A 3 -3.706 11.051 30.450 1.00 0.00 C ATOM 0 H VAL A 3 -1.918 13.168 30.705 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.793 13.413 32.980 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.760 11.206 32.321 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.199 12.129 30.505 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.923 13.335 31.784 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.025 13.442 30.252 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.468 10.428 29.982 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.274 11.718 29.704 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.923 10.417 30.866 1.00 0.00 H new ATOM 37 N GLU A 4 -1.014 11.997 32.561 1.00 0.00 N ATOM 38 CA GLU A 4 0.048 11.214 33.186 1.00 0.00 C ATOM 39 C GLU A 4 0.227 11.617 34.651 1.00 0.00 C ATOM 40 O GLU A 4 0.499 10.770 35.503 1.00 0.00 O ATOM 41 CB GLU A 4 1.372 11.378 32.423 1.00 0.00 C ATOM 42 CG GLU A 4 1.246 10.733 31.040 1.00 0.00 C ATOM 43 CD GLU A 4 1.167 9.217 31.176 1.00 0.00 C ATOM 44 OE1 GLU A 4 1.506 8.717 32.236 1.00 0.00 O ATOM 45 OE2 GLU A 4 0.769 8.576 30.217 1.00 0.00 O1- ATOM 0 H GLU A 4 -0.707 12.597 31.795 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.243 10.164 33.148 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.618 12.435 32.322 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.185 10.913 32.980 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.356 11.108 30.535 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.102 11.007 30.423 1.00 0.00 H new ATOM 52 N LYS A 5 0.072 12.908 34.943 1.00 0.00 N ATOM 53 CA LYS A 5 0.225 13.392 36.313 1.00 0.00 C ATOM 54 C LYS A 5 -0.890 12.849 37.205 1.00 0.00 C ATOM 55 O LYS A 5 -0.708 12.696 38.412 1.00 0.00 O ATOM 56 CB LYS A 5 0.212 14.926 36.346 1.00 0.00 C ATOM 57 CG LYS A 5 1.493 15.456 35.690 1.00 0.00 C ATOM 58 CD LYS A 5 1.396 16.972 35.453 1.00 0.00 C ATOM 59 CE LYS A 5 1.514 17.735 36.779 1.00 0.00 C ATOM 60 NZ LYS A 5 2.825 17.424 37.416 1.00 0.00 N1+ ATOM 0 H LYS A 5 -0.156 13.629 34.259 1.00 0.00 H new ATOM 0 HA LYS A 5 1.184 13.036 36.691 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.664 15.305 35.820 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.143 15.279 37.375 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.351 15.237 36.326 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.660 14.945 34.742 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.186 17.290 34.773 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.447 17.210 34.973 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.428 18.807 36.603 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.698 17.455 37.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.115 18.220 38.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.734 16.565 37.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.541 17.269 36.678 1.00 0.00 H new ATOM 74 N LEU A 6 -2.045 12.552 36.603 1.00 0.00 N ATOM 75 CA LEU A 6 -3.186 12.018 37.359 1.00 0.00 C ATOM 76 C LEU A 6 -3.238 10.497 37.251 1.00 0.00 C ATOM 77 O LEU A 6 -4.119 9.857 37.828 1.00 0.00 O ATOM 78 CB LEU A 6 -4.509 12.611 36.843 1.00 0.00 C ATOM 79 CG LEU A 6 -4.619 14.104 37.207 1.00 0.00 C ATOM 80 CD1 LEU A 6 -5.825 14.706 36.477 1.00 0.00 C ATOM 81 CD2 LEU A 6 -4.804 14.279 38.731 1.00 0.00 C ATOM 0 H LEU A 6 -2.216 12.670 35.604 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.053 12.300 38.404 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.569 12.491 35.761 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.349 12.065 37.272 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.703 14.612 36.907 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.912 15.763 36.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.690 14.599 35.401 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.732 14.185 36.782 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.880 15.340 38.969 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.714 13.770 39.048 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.948 13.850 39.253 1.00 0.00 H new ATOM 93 N THR A 7 -2.291 9.921 36.509 1.00 0.00 N ATOM 94 CA THR A 7 -2.232 8.466 36.328 1.00 0.00 C ATOM 95 C THR A 7 -0.930 7.910 36.896 1.00 0.00 C ATOM 96 O THR A 7 0.155 8.397 36.579 1.00 0.00 O ATOM 97 CB THR A 7 -2.326 8.126 34.839 1.00 0.00 C ATOM 98 OG1 THR A 7 -3.553 8.618 34.319 1.00 0.00 O ATOM 99 CG2 THR A 7 -2.263 6.611 34.656 1.00 0.00 C ATOM 0 H THR A 7 -1.556 10.436 36.024 1.00 0.00 H new ATOM 0 HA THR A 7 -3.070 8.015 36.860 1.00 0.00 H new ATOM 0 HB THR A 7 -1.495 8.588 34.307 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.455 9.566 34.091 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.330 6.370 33.595 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.321 6.235 35.055 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.093 6.146 35.187 1.00 0.00 H new ATOM 107 N ALA A 8 -1.047 6.886 37.744 1.00 0.00 N ATOM 108 CA ALA A 8 0.123 6.258 38.368 1.00 0.00 C ATOM 109 C ALA A 8 0.264 4.806 37.914 1.00 0.00 C ATOM 110 O ALA A 8 0.829 3.978 38.628 1.00 0.00 O ATOM 111 CB ALA A 8 -0.014 6.301 39.891 1.00 0.00 C ATOM 0 H ALA A 8 -1.939 6.473 38.015 1.00 0.00 H new ATOM 0 HA ALA A 8 1.012 6.811 38.063 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.858 5.833 40.348 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.084 7.338 40.221 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.913 5.763 40.191 1.00 0.00 H new ATOM 117 N ASP A 9 -0.254 4.502 36.727 1.00 0.00 N ATOM 118 CA ASP A 9 -0.180 3.143 36.197 1.00 0.00 C ATOM 119 C ASP A 9 1.172 2.893 35.536 1.00 0.00 C ATOM 120 O ASP A 9 1.419 1.817 34.991 1.00 0.00 O ATOM 121 CB ASP A 9 -1.300 2.916 35.178 1.00 0.00 C ATOM 122 CG ASP A 9 -1.081 3.787 33.943 1.00 0.00 C ATOM 123 OD1 ASP A 9 -0.078 4.480 33.897 1.00 0.00 O ATOM 124 OD2 ASP A 9 -1.922 3.748 33.060 1.00 0.00 O1- ATOM 0 H ASP A 9 -0.725 5.171 36.118 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.297 2.446 37.027 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.330 1.865 34.889 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.264 3.150 35.630 1.00 0.00 H new ATOM 129 N ALA A 10 2.046 3.893 35.592 1.00 0.00 N ATOM 130 CA ALA A 10 3.374 3.765 34.993 1.00 0.00 C ATOM 131 C ALA A 10 4.158 2.643 35.672 1.00 0.00 C ATOM 132 O ALA A 10 5.031 2.027 35.060 1.00 0.00 O ATOM 133 CB ALA A 10 4.158 5.084 35.096 1.00 0.00 C ATOM 0 H ALA A 10 1.864 4.791 36.040 1.00 0.00 H new ATOM 0 HA ALA A 10 3.242 3.523 33.938 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.141 4.959 34.643 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.615 5.872 34.574 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.274 5.357 36.145 1.00 0.00 H new ATOM 139 N GLU A 11 3.843 2.380 36.939 1.00 0.00 N ATOM 140 CA GLU A 11 4.530 1.327 37.682 1.00 0.00 C ATOM 141 C GLU A 11 4.284 -0.038 37.037 1.00 0.00 C ATOM 142 O GLU A 11 5.177 -0.884 37.004 1.00 0.00 O ATOM 143 CB GLU A 11 4.081 1.310 39.152 1.00 0.00 C ATOM 144 CG GLU A 11 4.617 2.556 39.860 1.00 0.00 C ATOM 145 CD GLU A 11 4.041 2.643 41.269 1.00 0.00 C ATOM 146 OE1 GLU A 11 3.119 1.899 41.558 1.00 0.00 O ATOM 147 OE2 GLU A 11 4.529 3.454 42.039 1.00 0.00 O1- ATOM 0 H GLU A 11 3.125 2.876 37.467 1.00 0.00 H new ATOM 0 HA GLU A 11 5.599 1.538 37.652 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.993 1.284 39.211 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.449 0.411 39.646 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.705 2.519 39.905 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.351 3.449 39.294 1.00 0.00 H new ATOM 154 N LEU A 12 3.072 -0.248 36.521 1.00 0.00 N ATOM 155 CA LEU A 12 2.743 -1.520 35.880 1.00 0.00 C ATOM 156 C LEU A 12 3.599 -1.728 34.630 1.00 0.00 C ATOM 157 O LEU A 12 4.000 -2.852 34.329 1.00 0.00 O ATOM 158 CB LEU A 12 1.245 -1.593 35.519 1.00 0.00 C ATOM 159 CG LEU A 12 0.391 -1.707 36.795 1.00 0.00 C ATOM 160 CD1 LEU A 12 -1.085 -1.538 36.421 1.00 0.00 C ATOM 161 CD2 LEU A 12 0.600 -3.081 37.470 1.00 0.00 C ATOM 0 H LEU A 12 2.314 0.434 36.534 1.00 0.00 H new ATOM 0 HA LEU A 12 2.959 -2.317 36.591 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.956 -0.704 34.958 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.061 -2.451 34.873 1.00 0.00 H new ATOM 0 HG LEU A 12 0.693 -0.929 37.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.699 -1.617 37.318 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.235 -0.560 35.964 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.373 -2.317 35.715 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.012 -3.141 38.370 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.310 -3.873 36.780 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.650 -3.199 37.737 1.00 0.00 H new ATOM 173 N GLN A 13 3.878 -0.645 33.905 1.00 0.00 N ATOM 174 CA GLN A 13 4.689 -0.743 32.693 1.00 0.00 C ATOM 175 C GLN A 13 6.099 -1.237 33.022 1.00 0.00 C ATOM 176 O GLN A 13 6.685 -2.005 32.259 1.00 0.00 O ATOM 177 CB GLN A 13 4.752 0.607 31.952 1.00 0.00 C ATOM 178 CG GLN A 13 5.517 0.428 30.639 1.00 0.00 C ATOM 179 CD GLN A 13 5.511 1.733 29.850 1.00 0.00 C ATOM 180 OE1 GLN A 13 4.851 2.694 30.245 1.00 0.00 O ATOM 181 NE2 GLN A 13 6.210 1.824 28.751 1.00 0.00 N ATOM 0 H GLN A 13 3.560 0.297 34.132 1.00 0.00 H new ATOM 0 HA GLN A 13 4.212 -1.468 32.034 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.745 0.973 31.752 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.245 1.354 32.574 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.543 0.123 30.845 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.061 -0.366 30.048 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.756 1.026 28.426 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.210 2.693 28.217 1.00 0.00 H new ATOM 190 N ARG A 14 6.644 -0.797 34.157 1.00 0.00 N ATOM 191 CA ARG A 14 7.990 -1.216 34.553 1.00 0.00 C ATOM 192 C ARG A 14 8.048 -2.732 34.752 1.00 0.00 C ATOM 193 O ARG A 14 9.041 -3.369 34.397 1.00 0.00 O ATOM 194 CB ARG A 14 8.446 -0.486 35.831 1.00 0.00 C ATOM 195 CG ARG A 14 9.877 -0.910 36.182 1.00 0.00 C ATOM 196 CD ARG A 14 10.354 -0.133 37.409 1.00 0.00 C ATOM 197 NE ARG A 14 11.721 -0.515 37.752 1.00 0.00 N ATOM 198 CZ ARG A 14 11.970 -1.600 38.480 1.00 0.00 C ATOM 199 NH1 ARG A 14 13.202 -1.918 38.775 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 10.986 -2.347 38.898 1.00 0.00 N ATOM 0 H ARG A 14 6.184 -0.161 34.809 1.00 0.00 H new ATOM 0 HA ARG A 14 8.674 -0.946 33.748 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.402 0.593 35.681 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.773 -0.721 36.656 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.912 -1.981 36.381 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.541 -0.721 35.338 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.308 0.938 37.210 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.692 -0.330 38.252 1.00 0.00 H new ATOM 0 HE ARG A 14 12.498 0.060 37.428 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.972 -1.335 38.447 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.394 -2.750 39.333 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.024 -2.099 38.667 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.179 -3.179 39.456 1.00 0.00 H new ATOM 214 N LEU A 15 6.989 -3.312 35.319 1.00 0.00 N ATOM 215 CA LEU A 15 6.960 -4.753 35.552 1.00 0.00 C ATOM 216 C LEU A 15 7.011 -5.514 34.226 1.00 0.00 C ATOM 217 O LEU A 15 7.641 -6.567 34.135 1.00 0.00 O ATOM 218 CB LEU A 15 5.705 -5.157 36.349 1.00 0.00 C ATOM 219 CG LEU A 15 5.795 -4.610 37.783 1.00 0.00 C ATOM 220 CD1 LEU A 15 4.452 -4.834 38.484 1.00 0.00 C ATOM 221 CD2 LEU A 15 6.918 -5.321 38.568 1.00 0.00 C ATOM 0 H LEU A 15 6.152 -2.813 35.621 1.00 0.00 H new ATOM 0 HA LEU A 15 7.839 -5.015 36.140 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.812 -4.770 35.858 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.611 -6.243 36.370 1.00 0.00 H new ATOM 0 HG LEU A 15 6.025 -3.545 37.746 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.505 -4.449 39.503 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.666 -4.312 37.939 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.229 -5.901 38.510 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.965 -4.919 39.580 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.711 -6.390 38.611 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.872 -5.156 38.068 1.00 0.00 H new ATOM 233 N LYS A 16 6.350 -4.980 33.201 1.00 0.00 N ATOM 234 CA LYS A 16 6.339 -5.631 31.894 1.00 0.00 C ATOM 235 C LYS A 16 7.698 -5.484 31.218 1.00 0.00 C ATOM 236 O LYS A 16 8.016 -6.208 30.274 1.00 0.00 O ATOM 237 CB LYS A 16 5.259 -5.009 31.000 1.00 0.00 C ATOM 238 CG LYS A 16 3.868 -5.153 31.645 1.00 0.00 C ATOM 239 CD LYS A 16 3.412 -6.619 31.628 1.00 0.00 C ATOM 240 CE LYS A 16 1.924 -6.688 31.976 1.00 0.00 C ATOM 241 NZ LYS A 16 1.718 -6.212 33.372 1.00 0.00 N1+ ATOM 0 H LYS A 16 5.821 -4.109 33.249 1.00 0.00 H new ATOM 0 HA LYS A 16 6.122 -6.689 32.040 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.481 -3.955 30.834 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.265 -5.494 30.024 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.898 -4.788 32.672 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.147 -4.536 31.108 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.588 -7.056 30.645 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.992 -7.201 32.344 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.349 -6.075 31.283 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.562 -7.711 31.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.742 -6.415 33.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.381 -6.701 34.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.887 -5.187 33.418 1.00 0.00 H new ATOM 255 N ASN A 17 8.498 -4.542 31.706 1.00 0.00 N ATOM 256 CA ASN A 17 9.825 -4.311 31.137 1.00 0.00 C ATOM 257 C ASN A 17 10.695 -5.560 31.279 1.00 0.00 C ATOM 258 O ASN A 17 11.502 -5.862 30.399 1.00 0.00 O ATOM 259 CB ASN A 17 10.516 -3.103 31.795 1.00 0.00 C ATOM 260 CG ASN A 17 11.774 -2.743 31.010 1.00 0.00 C ATOM 261 OD1 ASN A 17 11.798 -2.868 29.785 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.824 -2.300 31.644 1.00 0.00 N ATOM 0 H ASN A 17 8.256 -3.931 32.486 1.00 0.00 H new ATOM 0 HA ASN A 17 9.696 -4.089 30.078 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.836 -2.252 31.821 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.774 -3.337 32.828 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.668 -2.056 31.125 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.802 -2.197 32.659 1.00 0.00 H new ATOM 269 N GLU A 18 10.533 -6.284 32.387 1.00 0.00 N ATOM 270 CA GLU A 18 11.321 -7.492 32.613 1.00 0.00 C ATOM 271 C GLU A 18 11.035 -8.537 31.534 1.00 0.00 C ATOM 272 O GLU A 18 11.938 -9.258 31.109 1.00 0.00 O ATOM 273 CB GLU A 18 11.039 -8.079 34.008 1.00 0.00 C ATOM 274 CG GLU A 18 11.631 -7.157 35.076 1.00 0.00 C ATOM 275 CD GLU A 18 11.207 -7.630 36.462 1.00 0.00 C ATOM 276 OE1 GLU A 18 10.315 -8.459 36.536 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.780 -7.156 37.429 1.00 0.00 O1- ATOM 0 H GLU A 18 9.873 -6.058 33.131 1.00 0.00 H new ATOM 0 HA GLU A 18 12.375 -7.217 32.560 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.965 -8.186 34.159 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.474 -9.075 34.090 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.718 -7.151 35.001 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.294 -6.133 34.913 1.00 0.00 H new ATOM 284 N ARG A 19 9.779 -8.619 31.088 1.00 0.00 N ATOM 285 CA ARG A 19 9.404 -9.588 30.053 1.00 0.00 C ATOM 286 C ARG A 19 9.511 -8.944 28.671 1.00 0.00 C ATOM 287 O ARG A 19 8.762 -8.022 28.347 1.00 0.00 O ATOM 288 CB ARG A 19 7.965 -10.067 30.282 1.00 0.00 C ATOM 289 CG ARG A 19 7.634 -11.185 29.295 1.00 0.00 C ATOM 290 CD ARG A 19 6.230 -11.720 29.581 1.00 0.00 C ATOM 291 NE ARG A 19 6.189 -12.355 30.894 1.00 0.00 N ATOM 292 CZ ARG A 19 5.047 -12.804 31.405 1.00 0.00 C ATOM 293 NH1 ARG A 19 5.036 -13.371 32.579 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 3.937 -12.677 30.730 1.00 0.00 N ATOM 0 H ARG A 19 9.012 -8.035 31.422 1.00 0.00 H new ATOM 0 HA ARG A 19 10.082 -10.440 30.107 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.849 -10.425 31.305 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.270 -9.237 30.154 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.691 -10.811 28.273 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.365 -11.989 29.381 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.507 -10.905 29.541 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.943 -12.438 28.813 1.00 0.00 H new ATOM 0 HE ARG A 19 7.052 -12.456 31.429 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.904 -13.470 33.106 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.159 -13.715 32.971 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.947 -12.234 29.811 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.060 -13.021 31.121 1.00 0.00 H new ATOM 308 N HIS A 20 10.450 -9.432 27.858 1.00 0.00 N ATOM 309 CA HIS A 20 10.642 -8.885 26.514 1.00 0.00 C ATOM 310 C HIS A 20 9.632 -9.471 25.529 1.00 0.00 C ATOM 311 O HIS A 20 9.432 -8.931 24.441 1.00 0.00 O ATOM 312 CB HIS A 20 12.062 -9.176 26.027 1.00 0.00 C ATOM 313 CG HIS A 20 12.276 -10.661 25.943 1.00 0.00 C ATOM 314 ND1 HIS A 20 12.550 -11.434 27.061 1.00 0.00 N ATOM 315 CD2 HIS A 20 12.269 -11.531 24.880 1.00 0.00 C ATOM 316 CE1 HIS A 20 12.695 -12.706 26.650 1.00 0.00 C ATOM 317 NE2 HIS A 20 12.534 -12.822 25.329 1.00 0.00 N ATOM 0 H HIS A 20 11.082 -10.195 28.102 1.00 0.00 H new ATOM 0 HA HIS A 20 10.487 -7.807 26.565 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.222 -8.720 25.050 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.788 -8.732 26.708 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.086 -11.255 23.852 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.915 -13.534 27.308 1.00 0.00 H new ATOM 0 HE2 HIS A 20 12.593 -13.673 24.770 1.00 0.00 H new ATOM 325 N GLU A 21 8.993 -10.570 25.917 1.00 0.00 N ATOM 326 CA GLU A 21 8.001 -11.205 25.049 1.00 0.00 C ATOM 327 C GLU A 21 6.804 -10.279 24.833 1.00 0.00 C ATOM 328 O GLU A 21 6.225 -10.251 23.747 1.00 0.00 O ATOM 329 CB GLU A 21 7.536 -12.556 25.628 1.00 0.00 C ATOM 330 CG GLU A 21 8.663 -13.598 25.527 1.00 0.00 C ATOM 331 CD GLU A 21 9.653 -13.421 26.673 1.00 0.00 C ATOM 332 OE1 GLU A 21 9.483 -12.490 27.440 1.00 0.00 O ATOM 333 OE2 GLU A 21 10.567 -14.225 26.768 1.00 0.00 O1- ATOM 0 H GLU A 21 9.139 -11.036 26.813 1.00 0.00 H new ATOM 0 HA GLU A 21 8.474 -11.395 24.086 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.240 -12.430 26.670 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.657 -12.908 25.087 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.242 -14.603 25.554 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.179 -13.494 24.573 1.00 0.00 H new ATOM 340 N GLU A 22 6.434 -9.522 25.865 1.00 0.00 N ATOM 341 CA GLU A 22 5.300 -8.607 25.752 1.00 0.00 C ATOM 342 C GLU A 22 5.576 -7.556 24.675 1.00 0.00 C ATOM 343 O GLU A 22 4.674 -7.180 23.926 1.00 0.00 O ATOM 344 CB GLU A 22 4.991 -7.939 27.110 1.00 0.00 C ATOM 345 CG GLU A 22 3.783 -7.005 26.975 1.00 0.00 C ATOM 346 CD GLU A 22 2.540 -7.802 26.589 1.00 0.00 C ATOM 347 OE1 GLU A 22 2.534 -9.000 26.817 1.00 0.00 O ATOM 348 OE2 GLU A 22 1.612 -7.200 26.074 1.00 0.00 O1- ATOM 0 H GLU A 22 6.895 -9.523 26.775 1.00 0.00 H new ATOM 0 HA GLU A 22 4.421 -9.181 25.458 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.788 -8.702 27.862 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.859 -7.376 27.453 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.611 -6.483 27.916 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.985 -6.244 26.221 1.00 0.00 H new ATOM 355 N ALA A 23 6.820 -7.083 24.595 1.00 0.00 N ATOM 356 CA ALA A 23 7.174 -6.078 23.593 1.00 0.00 C ATOM 357 C ALA A 23 6.957 -6.627 22.182 1.00 0.00 C ATOM 358 O ALA A 23 6.527 -5.899 21.288 1.00 0.00 O ATOM 359 CB ALA A 23 8.629 -5.603 23.761 1.00 0.00 C ATOM 0 H ALA A 23 7.588 -7.373 25.201 1.00 0.00 H new ATOM 0 HA ALA A 23 6.520 -5.219 23.743 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.858 -4.857 23.000 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.756 -5.164 24.750 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.304 -6.452 23.651 1.00 0.00 H new ATOM 365 N GLU A 24 7.251 -7.913 21.985 1.00 0.00 N ATOM 366 CA GLU A 24 7.072 -8.529 20.671 1.00 0.00 C ATOM 367 C GLU A 24 5.596 -8.525 20.271 1.00 0.00 C ATOM 368 O GLU A 24 5.269 -8.345 19.100 1.00 0.00 O ATOM 369 CB GLU A 24 7.629 -9.964 20.645 1.00 0.00 C ATOM 370 CG GLU A 24 9.160 -9.924 20.693 1.00 0.00 C ATOM 371 CD GLU A 24 9.712 -11.335 20.865 1.00 0.00 C ATOM 372 OE1 GLU A 24 8.934 -12.219 21.183 1.00 0.00 O ATOM 373 OE2 GLU A 24 10.904 -11.511 20.676 1.00 0.00 O1- ATOM 0 H GLU A 24 7.609 -8.539 22.706 1.00 0.00 H new ATOM 0 HA GLU A 24 7.633 -7.937 19.948 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.244 -10.530 21.493 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.297 -10.477 19.742 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.550 -9.481 19.776 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.490 -9.292 21.518 1.00 0.00 H new ATOM 380 N LEU A 25 4.708 -8.721 21.247 1.00 0.00 N ATOM 381 CA LEU A 25 3.271 -8.730 20.973 1.00 0.00 C ATOM 382 C LEU A 25 2.719 -7.307 20.982 1.00 0.00 C ATOM 383 O LEU A 25 1.612 -7.058 20.508 1.00 0.00 O ATOM 384 CB LEU A 25 2.528 -9.570 22.021 1.00 0.00 C ATOM 385 CG LEU A 25 3.008 -11.029 21.979 1.00 0.00 C ATOM 386 CD1 LEU A 25 2.319 -11.815 23.099 1.00 0.00 C ATOM 387 CD2 LEU A 25 2.664 -11.664 20.616 1.00 0.00 C ATOM 0 H LEU A 25 4.955 -8.874 22.225 1.00 0.00 H new ATOM 0 HA LEU A 25 3.117 -9.170 19.988 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.696 -9.154 23.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.455 -9.528 21.835 1.00 0.00 H new ATOM 0 HG LEU A 25 4.089 -11.056 22.116 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.655 -12.852 23.076 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.572 -11.373 24.063 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.239 -11.780 22.957 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.009 -12.698 20.599 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.585 -11.639 20.465 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.155 -11.104 19.820 1.00 0.00 H new ATOM 399 N GLU A 26 3.497 -6.383 21.531 1.00 0.00 N ATOM 400 CA GLU A 26 3.076 -4.983 21.604 1.00 0.00 C ATOM 401 C GLU A 26 2.859 -4.401 20.206 1.00 0.00 C ATOM 402 O GLU A 26 1.948 -3.597 20.001 1.00 0.00 O ATOM 403 CB GLU A 26 4.098 -4.136 22.388 1.00 0.00 C ATOM 404 CG GLU A 26 3.590 -2.696 22.502 1.00 0.00 C ATOM 405 CD GLU A 26 4.560 -1.868 23.341 1.00 0.00 C ATOM 406 OE1 GLU A 26 5.552 -2.422 23.782 1.00 0.00 O ATOM 407 OE2 GLU A 26 4.294 -0.692 23.529 1.00 0.00 O1- ATOM 0 H GLU A 26 4.416 -6.572 21.930 1.00 0.00 H new ATOM 0 HA GLU A 26 2.127 -4.952 22.138 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.250 -4.559 23.381 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.064 -4.153 21.883 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.488 -2.257 21.509 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.600 -2.685 22.958 1.00 0.00 H new ATOM 414 N ARG A 27 3.699 -4.790 19.248 1.00 0.00 N ATOM 415 CA ARG A 27 3.570 -4.268 17.886 1.00 0.00 C ATOM 416 C ARG A 27 2.185 -4.576 17.322 1.00 0.00 C ATOM 417 O ARG A 27 1.719 -3.906 16.400 1.00 0.00 O ATOM 418 CB ARG A 27 4.654 -4.864 16.968 1.00 0.00 C ATOM 419 CG ARG A 27 4.360 -6.341 16.664 1.00 0.00 C ATOM 420 CD ARG A 27 5.526 -6.935 15.873 1.00 0.00 C ATOM 421 NE ARG A 27 5.653 -6.270 14.582 1.00 0.00 N ATOM 422 CZ ARG A 27 6.698 -6.496 13.792 1.00 0.00 C ATOM 423 NH1 ARG A 27 6.790 -5.889 12.641 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 7.632 -7.327 14.168 1.00 0.00 N ATOM 0 H ARG A 27 4.463 -5.452 19.384 1.00 0.00 H new ATOM 0 HA ARG A 27 3.702 -3.187 17.926 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.700 -4.299 16.037 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.630 -4.773 17.444 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.216 -6.894 17.592 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.436 -6.430 16.093 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.451 -6.825 16.439 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.367 -8.003 15.725 1.00 0.00 H new ATOM 0 HE ARG A 27 4.927 -5.620 14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.060 -5.240 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.592 -6.063 12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.560 -7.802 15.067 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.434 -7.501 13.562 1.00 0.00 H new ATOM 438 N LEU A 28 1.531 -5.588 17.882 1.00 0.00 N ATOM 439 CA LEU A 28 0.196 -5.962 17.419 1.00 0.00 C ATOM 440 C LEU A 28 -0.786 -4.809 17.640 1.00 0.00 C ATOM 441 O LEU A 28 -1.650 -4.555 16.801 1.00 0.00 O ATOM 442 CB LEU A 28 -0.300 -7.247 18.120 1.00 0.00 C ATOM 443 CG LEU A 28 -1.706 -7.622 17.621 1.00 0.00 C ATOM 444 CD1 LEU A 28 -1.684 -7.881 16.105 1.00 0.00 C ATOM 445 CD2 LEU A 28 -2.169 -8.886 18.354 1.00 0.00 C ATOM 0 H LEU A 28 1.895 -6.158 18.646 1.00 0.00 H new ATOM 0 HA LEU A 28 0.253 -6.170 16.351 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.392 -8.066 17.925 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.319 -7.096 19.199 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.393 -6.800 17.822 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.686 -8.145 15.766 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.351 -6.981 15.587 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.999 -8.700 15.886 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.165 -9.162 18.009 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.475 -9.701 18.148 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.197 -8.695 19.427 1.00 0.00 H new ATOM 457 N LYS A 29 -0.650 -4.111 18.768 1.00 0.00 N ATOM 458 CA LYS A 29 -1.538 -2.988 19.066 1.00 0.00 C ATOM 459 C LYS A 29 -1.399 -1.902 17.998 1.00 0.00 C ATOM 460 O LYS A 29 -2.387 -1.280 17.608 1.00 0.00 O ATOM 461 CB LYS A 29 -1.258 -2.413 20.469 1.00 0.00 C ATOM 462 CG LYS A 29 -2.234 -1.267 20.760 1.00 0.00 C ATOM 463 CD LYS A 29 -1.990 -0.739 22.174 1.00 0.00 C ATOM 464 CE LYS A 29 -2.976 0.391 22.474 1.00 0.00 C ATOM 465 NZ LYS A 29 -2.726 1.528 21.542 1.00 0.00 N1+ ATOM 0 H LYS A 29 0.055 -4.299 19.480 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.564 -3.355 19.057 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.365 -3.195 21.221 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.231 -2.053 20.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.099 -0.466 20.033 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.262 -1.616 20.663 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.110 -1.543 22.900 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.966 -0.377 22.267 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.000 0.034 22.363 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.864 0.722 23.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.120 2.401 21.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.702 1.643 21.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.182 1.334 20.628 1.00 0.00 H new ATOM 479 N SER A 30 -0.172 -1.674 17.525 1.00 0.00 N ATOM 480 CA SER A 30 0.060 -0.656 16.502 1.00 0.00 C ATOM 481 C SER A 30 -0.718 -0.986 15.226 1.00 0.00 C ATOM 482 O SER A 30 -1.264 -0.092 14.579 1.00 0.00 O ATOM 483 CB SER A 30 1.559 -0.502 16.193 1.00 0.00 C ATOM 484 OG SER A 30 1.725 0.490 15.188 1.00 0.00 O ATOM 0 H SER A 30 0.664 -2.173 17.829 1.00 0.00 H new ATOM 0 HA SER A 30 -0.300 0.295 16.894 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.102 -0.219 17.095 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.974 -1.452 15.856 1.00 0.00 H new ATOM 0 HG SER A 30 2.678 0.595 14.986 1.00 0.00 H new ATOM 490 N GLU A 31 -0.772 -2.269 14.867 1.00 0.00 N ATOM 491 CA GLU A 31 -1.497 -2.679 13.665 1.00 0.00 C ATOM 492 C GLU A 31 -2.983 -2.372 13.799 1.00 0.00 C ATOM 493 O GLU A 31 -3.644 -2.027 12.821 1.00 0.00 O ATOM 494 CB GLU A 31 -1.293 -4.169 13.366 1.00 0.00 C ATOM 495 CG GLU A 31 0.130 -4.377 12.870 1.00 0.00 C ATOM 496 CD GLU A 31 0.433 -5.865 12.736 1.00 0.00 C ATOM 497 OE1 GLU A 31 -0.344 -6.657 13.246 1.00 0.00 O ATOM 498 OE2 GLU A 31 1.436 -6.192 12.123 1.00 0.00 O1- ATOM 0 H GLU A 31 -0.330 -3.031 15.382 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.092 -2.107 12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.471 -4.762 14.263 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.008 -4.505 12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.262 -3.884 11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.834 -3.917 13.563 1.00 0.00 H new ATOM 505 N ALA A 32 -3.502 -2.502 15.014 1.00 0.00 N ATOM 506 CA ALA A 32 -4.920 -2.237 15.256 1.00 0.00 C ATOM 507 C ALA A 32 -5.260 -0.796 14.877 1.00 0.00 C ATOM 508 O ALA A 32 -6.415 -0.474 14.603 1.00 0.00 O ATOM 509 CB ALA A 32 -5.276 -2.476 16.731 1.00 0.00 C ATOM 0 H ALA A 32 -2.973 -2.785 15.839 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.502 -2.921 14.639 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.335 -2.273 16.887 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.063 -3.512 16.993 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.683 -1.813 17.361 1.00 0.00 H new ATOM 515 N ALA A 33 -4.244 0.068 14.870 1.00 0.00 N ATOM 516 CA ALA A 33 -4.447 1.480 14.529 1.00 0.00 C ATOM 517 C ALA A 33 -4.917 1.644 13.082 1.00 0.00 C ATOM 518 O ALA A 33 -5.542 2.648 12.740 1.00 0.00 O ATOM 519 CB ALA A 33 -3.155 2.283 14.741 1.00 0.00 C ATOM 0 H ALA A 33 -3.280 -0.180 15.094 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.222 1.864 15.192 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.329 3.327 14.482 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.851 2.214 15.785 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.367 1.878 14.106 1.00 0.00 H new ATOM 525 N ASP A 34 -4.612 0.665 12.234 1.00 0.00 N ATOM 526 CA ASP A 34 -5.010 0.739 10.831 1.00 0.00 C ATOM 527 C ASP A 34 -6.491 0.400 10.674 1.00 0.00 C ATOM 528 O ASP A 34 -7.006 0.332 9.558 1.00 0.00 O ATOM 529 CB ASP A 34 -4.168 -0.227 9.993 1.00 0.00 C ATOM 530 CG ASP A 34 -4.488 -1.673 10.364 1.00 0.00 C ATOM 531 OD1 ASP A 34 -5.351 -1.878 11.199 1.00 0.00 O ATOM 532 OD2 ASP A 34 -3.860 -2.557 9.803 1.00 0.00 O1- ATOM 0 H ASP A 34 -4.098 -0.178 12.489 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.844 1.758 10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.364 -0.065 8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.108 -0.030 10.155 1.00 0.00 H new ATOM 537 N HIS A 35 -7.169 0.190 11.798 1.00 0.00 N ATOM 538 CA HIS A 35 -8.591 -0.139 11.767 1.00 0.00 C ATOM 539 C HIS A 35 -9.386 1.011 11.155 1.00 0.00 C ATOM 540 O HIS A 35 -10.508 0.823 10.686 1.00 0.00 O ATOM 541 CB HIS A 35 -9.105 -0.425 13.183 1.00 0.00 C ATOM 542 CG HIS A 35 -9.110 0.847 13.992 1.00 0.00 C ATOM 543 ND1 HIS A 35 -7.954 1.380 14.541 1.00 0.00 N ATOM 544 CD2 HIS A 35 -10.123 1.701 14.351 1.00 0.00 C ATOM 545 CE1 HIS A 35 -8.296 2.505 15.195 1.00 0.00 C ATOM 546 NE2 HIS A 35 -9.607 2.748 15.109 1.00 0.00 N ATOM 0 H HIS A 35 -6.763 0.241 12.732 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.724 -1.031 11.155 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.111 -0.841 13.137 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.473 -1.171 13.665 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.015 0.990 14.463 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.163 1.579 14.086 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.596 3.135 15.725 1.00 0.00 H new ATOM 554 N ASP A 36 -8.792 2.201 11.161 1.00 0.00 N ATOM 555 CA ASP A 36 -9.454 3.374 10.600 1.00 0.00 C ATOM 556 C ASP A 36 -9.731 3.170 9.111 1.00 0.00 C ATOM 557 O ASP A 36 -10.763 3.607 8.601 1.00 0.00 O ATOM 558 CB ASP A 36 -8.607 4.640 10.814 1.00 0.00 C ATOM 559 CG ASP A 36 -8.620 5.030 12.288 1.00 0.00 C ATOM 560 OD1 ASP A 36 -9.442 4.497 13.015 1.00 0.00 O ATOM 561 OD2 ASP A 36 -7.808 5.858 12.668 1.00 0.00 O1- ATOM 0 H ASP A 36 -7.863 2.378 11.544 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.403 3.506 11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.583 4.463 10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.000 5.457 10.209 1.00 0.00 H new ATOM 566 N LYS A 37 -8.812 2.501 8.416 1.00 0.00 N ATOM 567 CA LYS A 37 -8.988 2.248 6.987 1.00 0.00 C ATOM 568 C LYS A 37 -10.245 1.410 6.747 1.00 0.00 C ATOM 569 O LYS A 37 -10.964 1.629 5.771 1.00 0.00 O ATOM 570 CB LYS A 37 -7.747 1.555 6.387 1.00 0.00 C ATOM 571 CG LYS A 37 -7.953 1.343 4.883 1.00 0.00 C ATOM 572 CD LYS A 37 -6.699 0.704 4.283 1.00 0.00 C ATOM 573 CE LYS A 37 -6.924 0.434 2.795 1.00 0.00 C ATOM 574 NZ LYS A 37 -7.150 1.724 2.084 1.00 0.00 N1+ ATOM 0 H LYS A 37 -7.949 2.129 8.813 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.108 3.208 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.859 2.163 6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.579 0.597 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.819 0.704 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.158 2.296 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.842 1.364 4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.469 -0.227 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.060 -0.079 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.783 -0.223 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.000 1.589 1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.124 2.046 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.483 2.438 2.440 1.00 0.00 H new ATOM 588 N LYS A 38 -10.509 0.451 7.634 1.00 0.00 N ATOM 589 CA LYS A 38 -11.685 -0.402 7.491 1.00 0.00 C ATOM 590 C LYS A 38 -12.965 0.433 7.555 1.00 0.00 C ATOM 591 O LYS A 38 -13.932 0.147 6.847 1.00 0.00 O ATOM 592 CB LYS A 38 -11.707 -1.494 8.572 1.00 0.00 C ATOM 593 CG LYS A 38 -10.580 -2.495 8.303 1.00 0.00 C ATOM 594 CD LYS A 38 -10.597 -3.582 9.380 1.00 0.00 C ATOM 595 CE LYS A 38 -9.452 -4.567 9.129 1.00 0.00 C ATOM 596 NZ LYS A 38 -9.661 -5.246 7.819 1.00 0.00 N1+ ATOM 0 H LYS A 38 -9.931 0.248 8.450 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.632 -0.887 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.585 -1.048 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.670 -2.004 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.704 -2.943 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.617 -1.984 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.494 -3.132 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.552 -4.107 9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.498 -4.040 9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.410 -5.304 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.503 -6.268 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.634 -5.079 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.992 -4.865 7.120 1.00 0.00 H new ATOM 610 N GLU A 39 -12.971 1.463 8.400 1.00 0.00 N ATOM 611 CA GLU A 39 -14.151 2.318 8.526 1.00 0.00 C ATOM 612 C GLU A 39 -14.445 3.004 7.192 1.00 0.00 C ATOM 613 O GLU A 39 -15.606 3.160 6.811 1.00 0.00 O ATOM 614 CB GLU A 39 -13.966 3.360 9.652 1.00 0.00 C ATOM 615 CG GLU A 39 -15.229 4.224 9.782 1.00 0.00 C ATOM 616 CD GLU A 39 -16.421 3.359 10.180 1.00 0.00 C ATOM 617 OE1 GLU A 39 -16.197 2.280 10.705 1.00 0.00 O ATOM 618 OE2 GLU A 39 -17.540 3.787 9.952 1.00 0.00 O1- ATOM 0 H GLU A 39 -12.187 1.723 8.998 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.003 1.693 8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.762 2.855 10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.104 3.992 9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.070 5.003 10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.434 4.726 8.836 1.00 0.00 H new ATOM 625 N ALA A 40 -13.393 3.408 6.478 1.00 0.00 N ATOM 626 CA ALA A 40 -13.575 4.069 5.187 1.00 0.00 C ATOM 627 C ALA A 40 -14.286 3.139 4.205 1.00 0.00 C ATOM 628 O ALA A 40 -15.096 3.587 3.393 1.00 0.00 O ATOM 629 CB ALA A 40 -12.229 4.535 4.598 1.00 0.00 C ATOM 0 H ALA A 40 -12.422 3.291 6.766 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.194 4.951 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.401 5.022 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.756 5.239 5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.576 3.674 4.456 1.00 0.00 H new ATOM 635 N GLU A 41 -13.984 1.842 4.279 1.00 0.00 N ATOM 636 CA GLU A 41 -14.610 0.874 3.382 1.00 0.00 C ATOM 637 C GLU A 41 -16.123 0.839 3.598 1.00 0.00 C ATOM 638 O GLU A 41 -16.886 0.686 2.645 1.00 0.00 O ATOM 639 CB GLU A 41 -14.013 -0.529 3.582 1.00 0.00 C ATOM 640 CG GLU A 41 -12.576 -0.550 3.055 1.00 0.00 C ATOM 641 CD GLU A 41 -11.914 -1.879 3.405 1.00 0.00 C ATOM 642 OE1 GLU A 41 -12.474 -2.604 4.208 1.00 0.00 O ATOM 643 OE2 GLU A 41 -10.855 -2.151 2.862 1.00 0.00 O1- ATOM 0 H GLU A 41 -13.319 1.443 4.942 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.410 1.189 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.028 -0.796 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.615 -1.271 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.574 -0.406 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.009 0.274 3.488 1.00 0.00 H new ATOM 650 N ARG A 42 -16.557 0.984 4.850 1.00 0.00 N ATOM 651 CA ARG A 42 -17.988 0.966 5.152 1.00 0.00 C ATOM 652 C ARG A 42 -18.699 2.122 4.442 1.00 0.00 C ATOM 653 O ARG A 42 -19.822 1.966 3.964 1.00 0.00 O ATOM 654 CB ARG A 42 -18.240 1.027 6.671 1.00 0.00 C ATOM 655 CG ARG A 42 -19.746 0.958 6.941 1.00 0.00 C ATOM 656 CD ARG A 42 -19.992 0.918 8.451 1.00 0.00 C ATOM 657 NE ARG A 42 -21.424 0.882 8.726 1.00 0.00 N ATOM 658 CZ ARG A 42 -21.883 0.809 9.971 1.00 0.00 C ATOM 659 NH1 ARG A 42 -23.169 0.781 10.192 1.00 0.00 N1+ ATOM 660 NH2 ARG A 42 -21.048 0.764 10.973 1.00 0.00 N ATOM 0 H ARG A 42 -15.950 1.113 5.659 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.397 0.025 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -17.732 0.201 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -17.828 1.948 7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -20.245 1.823 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -20.171 0.072 6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -19.509 0.041 8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -19.545 1.793 8.923 1.00 0.00 H new ATOM 0 HE ARG A 42 -22.084 0.913 7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -23.822 0.815 9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -23.521 0.725 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -20.043 0.785 10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -21.401 0.708 11.929 1.00 0.00 H new ATOM 674 N LYS A 43 -18.044 3.283 4.381 1.00 0.00 N ATOM 675 CA LYS A 43 -18.634 4.453 3.732 1.00 0.00 C ATOM 676 C LYS A 43 -18.751 4.242 2.224 1.00 0.00 C ATOM 677 O LYS A 43 -19.560 4.892 1.560 1.00 0.00 O ATOM 678 CB LYS A 43 -17.785 5.700 4.006 1.00 0.00 C ATOM 679 CG LYS A 43 -17.892 6.071 5.489 1.00 0.00 C ATOM 680 CD LYS A 43 -16.868 7.158 5.844 1.00 0.00 C ATOM 681 CE LYS A 43 -17.262 8.493 5.203 1.00 0.00 C ATOM 682 NZ LYS A 43 -16.372 9.570 5.720 1.00 0.00 N1+ ATOM 0 H LYS A 43 -17.113 3.437 4.769 1.00 0.00 H new ATOM 0 HA LYS A 43 -19.632 4.595 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.745 5.511 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.126 6.529 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.899 6.425 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.722 5.188 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.808 7.271 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.878 6.860 5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -17.179 8.427 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.303 8.725 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.637 10.477 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.472 9.637 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.384 9.348 5.482 1.00 0.00 H new ATOM 696 N ALA A 44 -17.936 3.341 1.686 1.00 0.00 N ATOM 697 CA ALA A 44 -17.960 3.071 0.247 1.00 0.00 C ATOM 698 C ALA A 44 -19.334 2.561 -0.184 1.00 0.00 C ATOM 699 O ALA A 44 -19.727 2.720 -1.339 1.00 0.00 O ATOM 700 CB ALA A 44 -16.883 2.046 -0.141 1.00 0.00 C ATOM 0 H ALA A 44 -17.258 2.790 2.213 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.751 4.009 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -16.924 1.864 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.899 2.434 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.061 1.112 0.392 1.00 0.00 H new ATOM 706 N LEU A 45 -20.062 1.950 0.746 1.00 0.00 N ATOM 707 CA LEU A 45 -21.391 1.429 0.433 1.00 0.00 C ATOM 708 C LEU A 45 -22.324 2.568 0.017 1.00 0.00 C ATOM 709 O LEU A 45 -23.125 2.411 -0.901 1.00 0.00 O ATOM 710 CB LEU A 45 -21.978 0.646 1.628 1.00 0.00 C ATOM 711 CG LEU A 45 -23.379 0.112 1.286 1.00 0.00 C ATOM 712 CD1 LEU A 45 -23.307 -0.839 0.080 1.00 0.00 C ATOM 713 CD2 LEU A 45 -23.933 -0.639 2.502 1.00 0.00 C ATOM 0 H LEU A 45 -19.761 1.804 1.710 1.00 0.00 H new ATOM 0 HA LEU A 45 -21.297 0.736 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.319 -0.183 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.033 1.294 2.503 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.033 0.946 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.306 -1.210 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.910 -0.304 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.654 -1.679 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.927 -1.022 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -23.272 -1.470 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.995 0.040 3.352 1.00 0.00 H new ATOM 725 N GLU A 46 -22.215 3.714 0.691 1.00 0.00 N ATOM 726 CA GLU A 46 -23.060 4.862 0.367 1.00 0.00 C ATOM 727 C GLU A 46 -22.783 5.359 -1.052 1.00 0.00 C ATOM 728 O GLU A 46 -23.692 5.823 -1.742 1.00 0.00 O ATOM 729 CB GLU A 46 -22.848 6.003 1.377 1.00 0.00 C ATOM 730 CG GLU A 46 -23.429 5.594 2.731 1.00 0.00 C ATOM 731 CD GLU A 46 -23.093 6.647 3.782 1.00 0.00 C ATOM 732 OE1 GLU A 46 -22.279 7.507 3.490 1.00 0.00 O ATOM 733 OE2 GLU A 46 -23.656 6.578 4.864 1.00 0.00 O1- ATOM 0 H GLU A 46 -21.558 3.870 1.455 1.00 0.00 H new ATOM 0 HA GLU A 46 -24.099 4.536 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -21.785 6.224 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -23.331 6.913 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -24.510 5.479 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -23.026 4.627 3.032 1.00 0.00 H new ATOM 740 N ASP A 47 -21.525 5.270 -1.480 1.00 0.00 N ATOM 741 CA ASP A 47 -21.150 5.726 -2.817 1.00 0.00 C ATOM 742 C ASP A 47 -21.909 4.944 -3.891 1.00 0.00 C ATOM 743 O ASP A 47 -22.253 5.498 -4.936 1.00 0.00 O ATOM 744 CB ASP A 47 -19.635 5.589 -3.038 1.00 0.00 C ATOM 745 CG ASP A 47 -18.892 6.629 -2.205 1.00 0.00 C ATOM 746 OD1 ASP A 47 -19.538 7.539 -1.714 1.00 0.00 O ATOM 747 OD2 ASP A 47 -17.687 6.500 -2.073 1.00 0.00 O1- ATOM 0 H ASP A 47 -20.756 4.891 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.419 6.779 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.308 4.587 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -19.399 5.721 -4.094 1.00 0.00 H new ATOM 752 N LYS A 48 -22.163 3.662 -3.641 1.00 0.00 N ATOM 753 CA LYS A 48 -22.874 2.837 -4.614 1.00 0.00 C ATOM 754 C LYS A 48 -24.279 3.387 -4.872 1.00 0.00 C ATOM 755 O LYS A 48 -24.762 3.353 -6.004 1.00 0.00 O ATOM 756 CB LYS A 48 -22.952 1.375 -4.144 1.00 0.00 C ATOM 757 CG LYS A 48 -21.556 0.751 -4.201 1.00 0.00 C ATOM 758 CD LYS A 48 -21.628 -0.705 -3.735 1.00 0.00 C ATOM 759 CE LYS A 48 -20.233 -1.332 -3.800 1.00 0.00 C ATOM 760 NZ LYS A 48 -20.302 -2.747 -3.338 1.00 0.00 N1+ ATOM 0 H LYS A 48 -21.892 3.177 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 48 -22.314 2.868 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -23.343 1.328 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -23.640 0.814 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -21.166 0.800 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -20.869 1.313 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -22.013 -0.753 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -22.320 -1.265 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.851 -1.290 -4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.540 -0.768 -3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.354 -3.173 -3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.649 -2.776 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.951 -3.281 -3.951 1.00 0.00 H new ATOM 774 N LEU A 49 -24.935 3.899 -3.830 1.00 0.00 N ATOM 775 CA LEU A 49 -26.279 4.451 -3.995 1.00 0.00 C ATOM 776 C LEU A 49 -26.250 5.658 -4.932 1.00 0.00 C ATOM 777 O LEU A 49 -27.172 5.858 -5.722 1.00 0.00 O ATOM 778 CB LEU A 49 -26.900 4.852 -2.641 1.00 0.00 C ATOM 779 CG LEU A 49 -27.326 3.602 -1.846 1.00 0.00 C ATOM 780 CD1 LEU A 49 -28.499 2.883 -2.545 1.00 0.00 C ATOM 781 CD2 LEU A 49 -26.135 2.646 -1.711 1.00 0.00 C ATOM 0 H LEU A 49 -24.566 3.943 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 49 -26.901 3.670 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -26.180 5.430 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.764 5.495 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 49 -27.656 3.915 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -28.783 2.004 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.350 3.560 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -28.193 2.576 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -26.439 1.763 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -25.795 2.346 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -25.323 3.149 -1.186 1.00 0.00 H new ATOM 793 N ALA A 50 -25.191 6.462 -4.844 1.00 0.00 N ATOM 794 CA ALA A 50 -25.075 7.644 -5.701 1.00 0.00 C ATOM 795 C ALA A 50 -26.281 8.558 -5.509 1.00 0.00 C ATOM 796 O ALA A 50 -26.673 9.283 -6.423 1.00 0.00 O ATOM 797 CB ALA A 50 -24.989 7.216 -7.166 1.00 0.00 C ATOM 0 H ALA A 50 -24.413 6.322 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 50 -24.170 8.186 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -24.903 8.099 -7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -24.115 6.581 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -25.888 6.662 -7.437 1.00 0.00 H new ATOM 803 N ASP A 51 -26.867 8.517 -4.316 1.00 0.00 N ATOM 804 CA ASP A 51 -28.032 9.347 -4.019 1.00 0.00 C ATOM 805 C ASP A 51 -27.676 10.831 -4.127 1.00 0.00 C ATOM 806 O ASP A 51 -28.491 11.635 -4.581 1.00 0.00 O ATOM 807 CB ASP A 51 -28.589 9.033 -2.620 1.00 0.00 C ATOM 808 CG ASP A 51 -29.259 7.663 -2.624 1.00 0.00 C ATOM 809 OD1 ASP A 51 -29.487 7.137 -3.702 1.00 0.00 O ATOM 810 OD2 ASP A 51 -29.533 7.157 -1.549 1.00 0.00 O1- ATOM 0 H ASP A 51 -26.559 7.924 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 51 -28.804 9.118 -4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -27.784 9.052 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -29.307 9.798 -2.325 1.00 0.00 H new ATOM 815 N TYR A 52 -26.463 11.193 -3.710 1.00 0.00 N ATOM 816 CA TYR A 52 -26.034 12.584 -3.773 1.00 0.00 C ATOM 817 C TYR A 52 -26.275 13.157 -5.167 1.00 0.00 C ATOM 818 O TYR A 52 -27.366 13.649 -5.402 1.00 0.00 O ATOM 819 CB TYR A 52 -24.546 12.689 -3.426 1.00 0.00 C ATOM 820 CG TYR A 52 -24.324 12.201 -2.015 1.00 0.00 C ATOM 821 CD1 TYR A 52 -23.980 10.865 -1.783 1.00 0.00 C ATOM 822 CD2 TYR A 52 -24.459 13.086 -0.938 1.00 0.00 C ATOM 823 CE1 TYR A 52 -23.772 10.412 -0.474 1.00 0.00 C ATOM 824 CE2 TYR A 52 -24.252 12.633 0.370 1.00 0.00 C ATOM 825 CZ TYR A 52 -23.907 11.296 0.602 1.00 0.00 C ATOM 826 OH TYR A 52 -23.702 10.850 1.892 1.00 0.00 O ATOM 827 OXT TYR A 52 -25.363 13.096 -5.976 1.00 0.00 O ATOM 0 H TYR A 52 -25.770 10.549 -3.330 1.00 0.00 H new ATOM 0 HA TYR A 52 -26.616 13.157 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -23.956 12.096 -4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -24.211 13.722 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -23.875 10.183 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -24.723 14.118 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -23.507 9.380 -0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -24.358 13.315 1.201 1.00 0.00 H new ATOM 0 HH TYR A 52 -23.835 11.591 2.519 1.00 0.00 H new TER 837 TYR A 52