USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 435 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0969 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0894 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.241 USER MOD Single : A 12 GLN : amide:sc= -0.437 K(o=-0.44,f=-2.6!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.7 K(o=-0.7,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -5.55! K(o=-5.5!,f=-3.3) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -58:sc= 0.783 USER MOD Single : A 44 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -82:sc= -0.016 USER MOD Single : A 54 SER OG : rot 95:sc= 0.24 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -57:sc= 0.0767 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 35:sc= 0.548 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.070 30.225 -25.978 1.00 0.00 N ATOM 2 CA GLY A 1 -14.367 30.471 -24.732 1.00 0.00 C ATOM 3 C GLY A 1 -14.883 29.611 -23.596 1.00 0.00 C ATOM 4 O GLY A 1 -15.784 28.794 -23.786 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.412 29.819 -26.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.851 29.559 -25.810 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.452 31.121 -26.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.303 30.279 -24.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.468 31.522 -24.463 1.00 0.00 H new ATOM 8 N SER A 2 -14.311 29.795 -22.410 1.00 0.00 N ATOM 9 CA SER A 2 -14.716 29.026 -21.239 1.00 0.00 C ATOM 10 C SER A 2 -14.318 29.744 -19.953 1.00 0.00 C ATOM 11 O SER A 2 -13.534 30.693 -19.976 1.00 0.00 O ATOM 12 CB SER A 2 -14.084 27.633 -21.275 1.00 0.00 C ATOM 13 OG SER A 2 -12.670 27.714 -21.296 1.00 0.00 O ATOM 0 H SER A 2 -13.566 30.470 -22.235 1.00 0.00 H new ATOM 0 HA SER A 2 -15.801 28.926 -21.258 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.406 27.062 -20.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.433 27.095 -22.156 1.00 0.00 H new ATOM 0 HG SER A 2 -12.291 26.811 -21.317 1.00 0.00 H new ATOM 19 N SER A 3 -14.864 29.283 -18.832 1.00 0.00 N ATOM 20 CA SER A 3 -14.570 29.883 -17.536 1.00 0.00 C ATOM 21 C SER A 3 -14.324 28.807 -16.483 1.00 0.00 C ATOM 22 O SER A 3 -14.548 27.622 -16.725 1.00 0.00 O ATOM 23 CB SER A 3 -15.721 30.790 -17.097 1.00 0.00 C ATOM 24 OG SER A 3 -15.360 31.560 -15.964 1.00 0.00 O ATOM 0 H SER A 3 -15.512 28.496 -18.795 1.00 0.00 H new ATOM 0 HA SER A 3 -13.665 30.481 -17.637 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.999 31.452 -17.917 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.597 30.184 -16.865 1.00 0.00 H new ATOM 0 HG SER A 3 -16.112 32.132 -15.704 1.00 0.00 H new ATOM 30 N GLY A 4 -13.862 29.231 -15.310 1.00 0.00 N ATOM 31 CA GLY A 4 -13.593 28.292 -14.236 1.00 0.00 C ATOM 32 C GLY A 4 -13.683 28.937 -12.867 1.00 0.00 C ATOM 33 O GLY A 4 -14.121 30.080 -12.739 1.00 0.00 O ATOM 0 H GLY A 4 -13.669 30.207 -15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.303 27.467 -14.293 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.598 27.867 -14.370 1.00 0.00 H new ATOM 37 N SER A 5 -13.268 28.201 -11.840 1.00 0.00 N ATOM 38 CA SER A 5 -13.308 28.706 -10.473 1.00 0.00 C ATOM 39 C SER A 5 -12.550 27.778 -9.529 1.00 0.00 C ATOM 40 O SER A 5 -12.769 26.567 -9.523 1.00 0.00 O ATOM 41 CB SER A 5 -14.757 28.856 -10.005 1.00 0.00 C ATOM 42 OG SER A 5 -14.829 29.603 -8.802 1.00 0.00 O ATOM 0 H SER A 5 -12.901 27.254 -11.929 1.00 0.00 H new ATOM 0 HA SER A 5 -12.826 29.683 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.343 29.350 -10.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.197 27.871 -9.852 1.00 0.00 H new ATOM 0 HG SER A 5 -15.765 29.687 -8.524 1.00 0.00 H new ATOM 48 N SER A 6 -11.657 28.356 -8.731 1.00 0.00 N ATOM 49 CA SER A 6 -10.863 27.581 -7.785 1.00 0.00 C ATOM 50 C SER A 6 -11.421 27.714 -6.371 1.00 0.00 C ATOM 51 O SER A 6 -11.986 28.745 -6.009 1.00 0.00 O ATOM 52 CB SER A 6 -9.404 28.041 -7.814 1.00 0.00 C ATOM 53 OG SER A 6 -8.532 26.994 -7.425 1.00 0.00 O ATOM 0 H SER A 6 -11.466 29.358 -8.721 1.00 0.00 H new ATOM 0 HA SER A 6 -10.912 26.533 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.146 28.380 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.275 28.893 -7.147 1.00 0.00 H new ATOM 0 HG SER A 6 -7.606 27.312 -7.453 1.00 0.00 H new ATOM 59 N GLY A 7 -11.258 26.661 -5.576 1.00 0.00 N ATOM 60 CA GLY A 7 -11.750 26.679 -4.211 1.00 0.00 C ATOM 61 C GLY A 7 -10.644 26.902 -3.198 1.00 0.00 C ATOM 62 O GLY A 7 -9.613 27.492 -3.517 1.00 0.00 O ATOM 0 H GLY A 7 -10.794 25.796 -5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.497 27.466 -4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.250 25.735 -3.996 1.00 0.00 H new ATOM 66 N GLN A 8 -10.861 26.431 -1.974 1.00 0.00 N ATOM 67 CA GLN A 8 -9.874 26.585 -0.912 1.00 0.00 C ATOM 68 C GLN A 8 -9.596 25.249 -0.229 1.00 0.00 C ATOM 69 O GLN A 8 -10.460 24.376 -0.144 1.00 0.00 O ATOM 70 CB GLN A 8 -10.359 27.606 0.118 1.00 0.00 C ATOM 71 CG GLN A 8 -11.692 27.245 0.754 1.00 0.00 C ATOM 72 CD GLN A 8 -12.052 28.154 1.911 1.00 0.00 C ATOM 73 OE1 GLN A 8 -11.248 28.375 2.817 1.00 0.00 O ATOM 74 NE2 GLN A 8 -13.268 28.689 1.888 1.00 0.00 N ATOM 0 H GLN A 8 -11.710 25.940 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.947 26.943 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.607 27.704 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.448 28.580 -0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.476 27.297 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.655 26.214 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.903 28.479 1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.566 29.310 2.641 1.00 0.00 H new ATOM 83 N PRO A 9 -8.362 25.085 0.269 1.00 0.00 N ATOM 84 CA PRO A 9 -7.941 23.858 0.953 1.00 0.00 C ATOM 85 C PRO A 9 -8.617 23.690 2.309 1.00 0.00 C ATOM 86 O PRO A 9 -9.295 24.597 2.794 1.00 0.00 O ATOM 87 CB PRO A 9 -6.433 24.048 1.127 1.00 0.00 C ATOM 88 CG PRO A 9 -6.235 25.525 1.127 1.00 0.00 C ATOM 89 CD PRO A 9 -7.282 26.083 0.203 1.00 0.00 C ATOM 0 HA PRO A 9 -8.209 22.965 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.082 23.602 2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.878 23.574 0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.344 25.933 2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.233 25.785 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.623 27.066 0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.902 26.198 -0.812 1.00 0.00 H new ATOM 97 N THR A 10 -8.429 22.524 2.919 1.00 0.00 N ATOM 98 CA THR A 10 -9.021 22.237 4.219 1.00 0.00 C ATOM 99 C THR A 10 -8.026 21.529 5.132 1.00 0.00 C ATOM 100 O THR A 10 -7.467 20.494 4.773 1.00 0.00 O ATOM 101 CB THR A 10 -10.284 21.365 4.082 1.00 0.00 C ATOM 102 OG1 THR A 10 -9.959 20.131 3.432 1.00 0.00 O ATOM 103 CG2 THR A 10 -11.360 22.093 3.291 1.00 0.00 C ATOM 0 H THR A 10 -7.871 21.763 2.533 1.00 0.00 H new ATOM 0 HA THR A 10 -9.296 23.196 4.659 1.00 0.00 H new ATOM 0 HB THR A 10 -10.667 21.159 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.069 19.836 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.242 21.458 3.207 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.626 23.018 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.984 22.326 2.295 1.00 0.00 H new ATOM 111 N ALA A 11 -7.810 22.095 6.315 1.00 0.00 N ATOM 112 CA ALA A 11 -6.884 21.516 7.281 1.00 0.00 C ATOM 113 C ALA A 11 -6.899 19.993 7.211 1.00 0.00 C ATOM 114 O ALA A 11 -7.959 19.378 7.102 1.00 0.00 O ATOM 115 CB ALA A 11 -7.228 21.985 8.688 1.00 0.00 C ATOM 0 H ALA A 11 -8.263 22.954 6.627 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.878 21.855 7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.529 21.545 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.159 23.072 8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.243 21.674 8.937 1.00 0.00 H new ATOM 121 N GLN A 12 -5.715 19.391 7.273 1.00 0.00 N ATOM 122 CA GLN A 12 -5.593 17.940 7.215 1.00 0.00 C ATOM 123 C GLN A 12 -4.154 17.504 7.471 1.00 0.00 C ATOM 124 O GLN A 12 -3.211 18.231 7.161 1.00 0.00 O ATOM 125 CB GLN A 12 -6.060 17.421 5.853 1.00 0.00 C ATOM 126 CG GLN A 12 -6.360 15.931 5.840 1.00 0.00 C ATOM 127 CD GLN A 12 -7.664 15.592 6.535 1.00 0.00 C ATOM 128 OE1 GLN A 12 -7.810 15.796 7.740 1.00 0.00 O ATOM 129 NE2 GLN A 12 -8.621 15.070 5.776 1.00 0.00 N ATOM 0 H GLN A 12 -4.828 19.886 7.363 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.227 17.517 7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.955 17.966 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.292 17.635 5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.401 15.582 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.544 15.396 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.457 14.918 4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.520 14.821 6.188 1.00 0.00 H new ATOM 138 N GLN A 13 -3.994 16.313 8.039 1.00 0.00 N ATOM 139 CA GLN A 13 -2.669 15.781 8.338 1.00 0.00 C ATOM 140 C GLN A 13 -2.578 14.305 7.965 1.00 0.00 C ATOM 141 O GLN A 13 -3.494 13.530 8.237 1.00 0.00 O ATOM 142 CB GLN A 13 -2.346 15.965 9.822 1.00 0.00 C ATOM 143 CG GLN A 13 -0.871 15.793 10.149 1.00 0.00 C ATOM 144 CD GLN A 13 -0.619 15.619 11.633 1.00 0.00 C ATOM 145 OE1 GLN A 13 -1.109 16.396 12.453 1.00 0.00 O ATOM 146 NE2 GLN A 13 0.149 14.595 11.988 1.00 0.00 N ATOM 0 H GLN A 13 -4.765 15.698 8.301 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.941 16.333 7.743 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.665 16.959 10.134 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.925 15.247 10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.483 14.926 9.614 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.319 16.662 9.790 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.535 13.976 11.275 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.353 14.428 12.973 1.00 0.00 H new ATOM 155 N GLN A 14 -1.468 13.926 7.340 1.00 0.00 N ATOM 156 CA GLN A 14 -1.259 12.543 6.928 1.00 0.00 C ATOM 157 C GLN A 14 0.186 12.117 7.167 1.00 0.00 C ATOM 158 O GLN A 14 1.116 12.897 6.963 1.00 0.00 O ATOM 159 CB GLN A 14 -1.617 12.368 5.451 1.00 0.00 C ATOM 160 CG GLN A 14 -3.060 11.949 5.220 1.00 0.00 C ATOM 161 CD GLN A 14 -3.222 10.445 5.122 1.00 0.00 C ATOM 162 OE1 GLN A 14 -3.673 9.923 4.102 1.00 0.00 O ATOM 163 NE2 GLN A 14 -2.854 9.739 6.185 1.00 0.00 N ATOM 0 H GLN A 14 -0.700 14.556 7.108 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.910 11.909 7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.431 13.306 4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.956 11.621 5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.678 12.325 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.426 12.411 4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.485 10.213 7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.940 8.723 6.177 1.00 0.00 H new ATOM 172 N LEU A 15 0.366 10.874 7.601 1.00 0.00 N ATOM 173 CA LEU A 15 1.699 10.343 7.869 1.00 0.00 C ATOM 174 C LEU A 15 2.185 9.481 6.708 1.00 0.00 C ATOM 175 O LEU A 15 3.260 9.713 6.156 1.00 0.00 O ATOM 176 CB LEU A 15 1.693 9.524 9.161 1.00 0.00 C ATOM 177 CG LEU A 15 1.672 10.324 10.463 1.00 0.00 C ATOM 178 CD1 LEU A 15 1.543 9.393 11.659 1.00 0.00 C ATOM 179 CD2 LEU A 15 2.924 11.180 10.584 1.00 0.00 C ATOM 0 H LEU A 15 -0.393 10.215 7.775 1.00 0.00 H new ATOM 0 HA LEU A 15 2.383 11.184 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.823 8.868 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.575 8.884 9.166 1.00 0.00 H new ATOM 0 HG LEU A 15 0.805 10.985 10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.530 9.980 12.577 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.617 8.824 11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.390 8.707 11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.891 11.742 11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.805 10.539 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.973 11.873 9.744 1.00 0.00 H new ATOM 191 N THR A 16 1.384 8.486 6.341 1.00 0.00 N ATOM 192 CA THR A 16 1.731 7.589 5.246 1.00 0.00 C ATOM 193 C THR A 16 1.639 8.303 3.902 1.00 0.00 C ATOM 194 O THR A 16 0.624 8.923 3.584 1.00 0.00 O ATOM 195 CB THR A 16 0.815 6.351 5.221 1.00 0.00 C ATOM 196 OG1 THR A 16 0.801 5.726 6.509 1.00 0.00 O ATOM 197 CG2 THR A 16 1.282 5.354 4.172 1.00 0.00 C ATOM 0 H THR A 16 0.490 8.281 6.787 1.00 0.00 H new ATOM 0 HA THR A 16 2.759 7.267 5.414 1.00 0.00 H new ATOM 0 HB THR A 16 -0.193 6.677 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.215 4.941 6.485 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.620 4.488 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.263 5.824 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.298 5.034 4.401 1.00 0.00 H new ATOM 205 N LYS A 17 2.705 8.210 3.114 1.00 0.00 N ATOM 206 CA LYS A 17 2.745 8.845 1.802 1.00 0.00 C ATOM 207 C LYS A 17 3.052 7.822 0.712 1.00 0.00 C ATOM 208 O LYS A 17 3.720 6.815 0.943 1.00 0.00 O ATOM 209 CB LYS A 17 3.796 9.957 1.783 1.00 0.00 C ATOM 210 CG LYS A 17 3.587 11.010 2.857 1.00 0.00 C ATOM 211 CD LYS A 17 2.518 12.013 2.454 1.00 0.00 C ATOM 212 CE LYS A 17 2.193 12.968 3.592 1.00 0.00 C ATOM 213 NZ LYS A 17 3.203 14.056 3.709 1.00 0.00 N ATOM 0 H LYS A 17 3.553 7.701 3.362 1.00 0.00 H new ATOM 0 HA LYS A 17 1.764 9.277 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.784 9.514 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.784 10.440 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.300 10.527 3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.525 11.532 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.858 12.580 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.614 11.482 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.207 13.404 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.146 12.414 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.946 14.685 4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.140 13.642 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.230 14.601 2.824 1.00 0.00 H new ATOM 227 N PRO A 18 2.553 8.086 -0.505 1.00 0.00 N ATOM 228 CA PRO A 18 2.763 7.202 -1.655 1.00 0.00 C ATOM 229 C PRO A 18 4.210 7.211 -2.137 1.00 0.00 C ATOM 230 O PRO A 18 4.553 7.917 -3.085 1.00 0.00 O ATOM 231 CB PRO A 18 1.838 7.786 -2.725 1.00 0.00 C ATOM 232 CG PRO A 18 1.689 9.221 -2.354 1.00 0.00 C ATOM 233 CD PRO A 18 1.747 9.269 -0.852 1.00 0.00 C ATOM 0 HA PRO A 18 2.552 6.161 -1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.267 7.677 -3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.874 7.278 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.484 9.822 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.745 9.623 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.210 10.189 -0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.752 9.222 -0.409 1.00 0.00 H new ATOM 241 N ALA A 19 5.053 6.423 -1.479 1.00 0.00 N ATOM 242 CA ALA A 19 6.462 6.339 -1.843 1.00 0.00 C ATOM 243 C ALA A 19 6.851 4.910 -2.207 1.00 0.00 C ATOM 244 O ALA A 19 7.496 4.671 -3.228 1.00 0.00 O ATOM 245 CB ALA A 19 7.333 6.852 -0.706 1.00 0.00 C ATOM 0 H ALA A 19 4.785 5.833 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 19 6.623 6.966 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.383 6.783 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.082 7.892 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.160 6.249 0.186 1.00 0.00 H new ATOM 251 N LYS A 20 6.456 3.962 -1.364 1.00 0.00 N ATOM 252 CA LYS A 20 6.762 2.555 -1.596 1.00 0.00 C ATOM 253 C LYS A 20 5.488 1.754 -1.840 1.00 0.00 C ATOM 254 O LYS A 20 4.387 2.305 -1.836 1.00 0.00 O ATOM 255 CB LYS A 20 7.522 1.974 -0.402 1.00 0.00 C ATOM 256 CG LYS A 20 6.651 1.751 0.823 1.00 0.00 C ATOM 257 CD LYS A 20 6.534 3.013 1.661 1.00 0.00 C ATOM 258 CE LYS A 20 6.348 2.689 3.135 1.00 0.00 C ATOM 259 NZ LYS A 20 4.962 2.234 3.433 1.00 0.00 N ATOM 0 H LYS A 20 5.923 4.143 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 20 7.388 2.487 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.972 1.026 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.339 2.647 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.658 1.427 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.072 0.949 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.429 3.621 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.691 3.608 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.056 1.914 3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.577 3.572 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.876 2.023 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.288 2.984 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.752 1.377 2.883 1.00 0.00 H new ATOM 273 N ILE A 21 5.645 0.451 -2.051 1.00 0.00 N ATOM 274 CA ILE A 21 4.506 -0.425 -2.294 1.00 0.00 C ATOM 275 C ILE A 21 4.715 -1.790 -1.647 1.00 0.00 C ATOM 276 O ILE A 21 5.836 -2.296 -1.585 1.00 0.00 O ATOM 277 CB ILE A 21 4.255 -0.617 -3.802 1.00 0.00 C ATOM 278 CG1 ILE A 21 3.793 0.697 -4.435 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.224 -1.713 -4.032 1.00 0.00 C ATOM 280 CD1 ILE A 21 2.290 0.866 -4.449 1.00 0.00 C ATOM 0 H ILE A 21 6.549 -0.021 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 21 3.636 0.057 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 21 5.189 -0.918 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.239 1.529 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.166 0.749 -5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.057 -1.837 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.589 -2.650 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.287 -1.438 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.035 1.819 -4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.838 0.054 -5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.912 0.847 -3.427 1.00 0.00 H new ATOM 292 N THR A 22 3.626 -2.385 -1.167 1.00 0.00 N ATOM 293 CA THR A 22 3.689 -3.691 -0.526 1.00 0.00 C ATOM 294 C THR A 22 2.604 -4.619 -1.061 1.00 0.00 C ATOM 295 O THR A 22 1.579 -4.165 -1.569 1.00 0.00 O ATOM 296 CB THR A 22 3.541 -3.574 1.003 1.00 0.00 C ATOM 297 OG1 THR A 22 2.489 -2.658 1.324 1.00 0.00 O ATOM 298 CG2 THR A 22 4.841 -3.105 1.638 1.00 0.00 C ATOM 0 H THR A 22 2.690 -1.982 -1.211 1.00 0.00 H new ATOM 0 HA THR A 22 4.668 -4.110 -0.758 1.00 0.00 H new ATOM 0 HB THR A 22 3.297 -4.560 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.400 -2.590 2.298 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.712 -3.030 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.633 -3.820 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.111 -2.128 1.236 1.00 0.00 H new ATOM 306 N CYS A 23 2.836 -5.923 -0.943 1.00 0.00 N ATOM 307 CA CYS A 23 1.879 -6.916 -1.414 1.00 0.00 C ATOM 308 C CYS A 23 0.536 -6.755 -0.707 1.00 0.00 C ATOM 309 O CYS A 23 0.481 -6.583 0.510 1.00 0.00 O ATOM 310 CB CYS A 23 2.422 -8.328 -1.185 1.00 0.00 C ATOM 311 SG CYS A 23 1.312 -9.653 -1.758 1.00 0.00 S ATOM 0 H CYS A 23 3.679 -6.316 -0.525 1.00 0.00 H new ATOM 0 HA CYS A 23 1.729 -6.761 -2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.380 -8.425 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.613 -8.464 -0.121 1.00 0.00 H new ATOM 316 N ALA A 24 -0.544 -6.813 -1.479 1.00 0.00 N ATOM 317 CA ALA A 24 -1.886 -6.677 -0.927 1.00 0.00 C ATOM 318 C ALA A 24 -2.362 -7.988 -0.310 1.00 0.00 C ATOM 319 O ALA A 24 -3.554 -8.177 -0.075 1.00 0.00 O ATOM 320 CB ALA A 24 -2.856 -6.217 -2.006 1.00 0.00 C ATOM 0 H ALA A 24 -0.516 -6.953 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.853 -5.926 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.855 -6.120 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.533 -5.253 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.876 -6.949 -2.813 1.00 0.00 H new ATOM 326 N ASN A 25 -1.421 -8.890 -0.050 1.00 0.00 N ATOM 327 CA ASN A 25 -1.745 -10.184 0.539 1.00 0.00 C ATOM 328 C ASN A 25 -0.875 -10.458 1.762 1.00 0.00 C ATOM 329 O ASN A 25 -1.381 -10.645 2.869 1.00 0.00 O ATOM 330 CB ASN A 25 -1.559 -11.298 -0.493 1.00 0.00 C ATOM 331 CG ASN A 25 -2.321 -12.557 -0.128 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.522 -12.663 -0.378 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.625 -13.519 0.467 1.00 0.00 N ATOM 0 H ASN A 25 -0.428 -8.749 -0.238 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.788 -10.161 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.892 -10.945 -1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.498 -11.532 -0.584 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.084 -14.389 0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.631 -13.388 0.655 1.00 0.00 H new ATOM 340 N CYS A 26 0.438 -10.479 1.555 1.00 0.00 N ATOM 341 CA CYS A 26 1.380 -10.730 2.639 1.00 0.00 C ATOM 342 C CYS A 26 1.887 -9.419 3.233 1.00 0.00 C ATOM 343 O CYS A 26 2.461 -9.398 4.322 1.00 0.00 O ATOM 344 CB CYS A 26 2.559 -11.565 2.136 1.00 0.00 C ATOM 345 SG CYS A 26 3.426 -10.841 0.707 1.00 0.00 S ATOM 0 H CYS A 26 0.874 -10.325 0.646 1.00 0.00 H new ATOM 0 HA CYS A 26 0.858 -11.284 3.419 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.271 -11.697 2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.198 -12.557 1.864 1.00 0.00 H new ATOM 350 N LYS A 27 1.671 -8.326 2.509 1.00 0.00 N ATOM 351 CA LYS A 27 2.105 -7.009 2.962 1.00 0.00 C ATOM 352 C LYS A 27 3.624 -6.947 3.079 1.00 0.00 C ATOM 353 O LYS A 27 4.162 -6.498 4.092 1.00 0.00 O ATOM 354 CB LYS A 27 1.465 -6.676 4.312 1.00 0.00 C ATOM 355 CG LYS A 27 -0.045 -6.527 4.249 1.00 0.00 C ATOM 356 CD LYS A 27 -0.449 -5.232 3.564 1.00 0.00 C ATOM 357 CE LYS A 27 -1.939 -5.205 3.257 1.00 0.00 C ATOM 358 NZ LYS A 27 -2.286 -4.127 2.290 1.00 0.00 N ATOM 0 H LYS A 27 1.198 -8.326 1.605 1.00 0.00 H new ATOM 0 HA LYS A 27 1.785 -6.274 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.715 -7.460 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.898 -5.750 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.473 -7.373 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.456 -6.550 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.193 -4.386 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.116 -5.117 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.244 -6.169 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.498 -5.058 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.310 -4.141 2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.019 -3.204 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.773 -4.281 1.399 1.00 0.00 H new ATOM 372 N LYS A 28 4.312 -7.399 2.036 1.00 0.00 N ATOM 373 CA LYS A 28 5.770 -7.392 2.019 1.00 0.00 C ATOM 374 C LYS A 28 6.299 -6.242 1.168 1.00 0.00 C ATOM 375 O LYS A 28 5.683 -5.832 0.184 1.00 0.00 O ATOM 376 CB LYS A 28 6.301 -8.724 1.483 1.00 0.00 C ATOM 377 CG LYS A 28 6.488 -9.780 2.558 1.00 0.00 C ATOM 378 CD LYS A 28 6.943 -11.104 1.966 1.00 0.00 C ATOM 379 CE LYS A 28 8.414 -11.067 1.583 1.00 0.00 C ATOM 380 NZ LYS A 28 8.961 -12.432 1.347 1.00 0.00 N ATOM 0 H LYS A 28 3.883 -7.775 1.191 1.00 0.00 H new ATOM 0 HA LYS A 28 6.120 -7.254 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.612 -9.103 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.255 -8.551 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.222 -9.434 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.551 -9.924 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.774 -11.904 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.343 -11.336 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.540 -10.465 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.983 -10.580 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.966 -12.363 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.864 -12.999 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.435 -12.888 0.574 1.00 0.00 H new ATOM 394 N PRO A 29 7.469 -5.710 1.552 1.00 0.00 N ATOM 395 CA PRO A 29 8.107 -4.602 0.835 1.00 0.00 C ATOM 396 C PRO A 29 8.636 -5.023 -0.532 1.00 0.00 C ATOM 397 O PRO A 29 9.697 -5.638 -0.635 1.00 0.00 O ATOM 398 CB PRO A 29 9.263 -4.203 1.756 1.00 0.00 C ATOM 399 CG PRO A 29 9.570 -5.436 2.534 1.00 0.00 C ATOM 400 CD PRO A 29 8.259 -6.149 2.714 1.00 0.00 C ATOM 0 HA PRO A 29 7.407 -3.792 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.129 -3.870 1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.980 -3.380 2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.286 -6.064 2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.015 -5.189 3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.389 -7.231 2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.778 -5.875 3.653 1.00 0.00 H new ATOM 408 N LEU A 30 7.889 -4.687 -1.578 1.00 0.00 N ATOM 409 CA LEU A 30 8.283 -5.030 -2.940 1.00 0.00 C ATOM 410 C LEU A 30 9.373 -4.090 -3.445 1.00 0.00 C ATOM 411 O LEU A 30 9.128 -2.905 -3.670 1.00 0.00 O ATOM 412 CB LEU A 30 7.072 -4.972 -3.872 1.00 0.00 C ATOM 413 CG LEU A 30 5.801 -5.654 -3.364 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.651 -5.430 -4.334 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.042 -7.142 -3.155 1.00 0.00 C ATOM 0 H LEU A 30 7.008 -4.178 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 30 8.680 -6.045 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.843 -3.925 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.349 -5.426 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 30 5.532 -5.211 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.755 -5.922 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.463 -4.361 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.910 -5.846 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.127 -7.611 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.336 -7.599 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.836 -7.282 -2.422 1.00 0.00 H new ATOM 427 N GLN A 31 10.576 -4.627 -3.623 1.00 0.00 N ATOM 428 CA GLN A 31 11.702 -3.836 -4.103 1.00 0.00 C ATOM 429 C GLN A 31 11.409 -3.251 -5.481 1.00 0.00 C ATOM 430 O GLN A 31 10.519 -3.721 -6.190 1.00 0.00 O ATOM 431 CB GLN A 31 12.968 -4.693 -4.159 1.00 0.00 C ATOM 432 CG GLN A 31 14.244 -3.911 -3.892 1.00 0.00 C ATOM 433 CD GLN A 31 15.475 -4.592 -4.457 1.00 0.00 C ATOM 434 OE1 GLN A 31 15.695 -4.598 -5.668 1.00 0.00 O ATOM 435 NE2 GLN A 31 16.286 -5.172 -3.579 1.00 0.00 N ATOM 0 H GLN A 31 10.795 -5.607 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 31 11.859 -3.014 -3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.885 -5.497 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.037 -5.161 -5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.153 -2.915 -4.326 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.367 -3.780 -2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.065 -5.143 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.130 -5.647 -3.900 1.00 0.00 H new ATOM 444 N LYS A 32 12.163 -2.223 -5.855 1.00 0.00 N ATOM 445 CA LYS A 32 11.985 -1.574 -7.148 1.00 0.00 C ATOM 446 C LYS A 32 11.919 -2.605 -8.270 1.00 0.00 C ATOM 447 O LYS A 32 10.953 -2.647 -9.031 1.00 0.00 O ATOM 448 CB LYS A 32 13.130 -0.593 -7.411 1.00 0.00 C ATOM 449 CG LYS A 32 13.095 0.026 -8.797 1.00 0.00 C ATOM 450 CD LYS A 32 14.411 0.705 -9.139 1.00 0.00 C ATOM 451 CE LYS A 32 14.453 1.137 -10.596 1.00 0.00 C ATOM 452 NZ LYS A 32 14.950 0.049 -11.483 1.00 0.00 N ATOM 0 H LYS A 32 12.904 -1.821 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 32 11.043 -1.027 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.094 0.202 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 32 14.079 -1.112 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.880 -0.746 -9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.285 0.753 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.551 1.574 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.237 0.023 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.455 1.438 -10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.097 2.011 -10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.964 0.383 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.912 -0.221 -11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.321 -0.776 -11.406 1.00 0.00 H new ATOM 466 N GLY A 33 12.951 -3.437 -8.365 1.00 0.00 N ATOM 467 CA GLY A 33 12.989 -4.458 -9.396 1.00 0.00 C ATOM 468 C GLY A 33 11.933 -5.527 -9.193 1.00 0.00 C ATOM 469 O GLY A 33 11.309 -5.982 -10.151 1.00 0.00 O ATOM 0 H GLY A 33 13.762 -3.423 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.846 -3.991 -10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.975 -4.923 -9.406 1.00 0.00 H new ATOM 473 N GLN A 34 11.735 -5.929 -7.941 1.00 0.00 N ATOM 474 CA GLN A 34 10.749 -6.953 -7.616 1.00 0.00 C ATOM 475 C GLN A 34 9.478 -6.767 -8.439 1.00 0.00 C ATOM 476 O GLN A 34 8.732 -5.808 -8.240 1.00 0.00 O ATOM 477 CB GLN A 34 10.415 -6.914 -6.124 1.00 0.00 C ATOM 478 CG GLN A 34 11.421 -7.652 -5.256 1.00 0.00 C ATOM 479 CD GLN A 34 11.061 -9.112 -5.058 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.344 -9.465 -4.122 1.00 0.00 O ATOM 481 NE2 GLN A 34 11.559 -9.969 -5.942 1.00 0.00 N ATOM 0 H GLN A 34 12.243 -5.562 -7.137 1.00 0.00 H new ATOM 0 HA GLN A 34 11.178 -7.925 -7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.361 -5.875 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.427 -7.348 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.408 -7.584 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.485 -7.162 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.149 -9.632 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.351 -10.964 -5.860 1.00 0.00 H new ATOM 490 N THR A 35 9.238 -7.690 -9.365 1.00 0.00 N ATOM 491 CA THR A 35 8.059 -7.627 -10.219 1.00 0.00 C ATOM 492 C THR A 35 6.778 -7.683 -9.394 1.00 0.00 C ATOM 493 O THR A 35 6.805 -8.024 -8.212 1.00 0.00 O ATOM 494 CB THR A 35 8.046 -8.775 -11.246 1.00 0.00 C ATOM 495 OG1 THR A 35 6.974 -8.588 -12.176 1.00 0.00 O ATOM 496 CG2 THR A 35 7.893 -10.120 -10.551 1.00 0.00 C ATOM 0 H THR A 35 9.845 -8.490 -9.543 1.00 0.00 H new ATOM 0 HA THR A 35 8.105 -6.676 -10.750 1.00 0.00 H new ATOM 0 HB THR A 35 8.996 -8.766 -11.781 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.974 -9.321 -12.827 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.886 -10.916 -11.296 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.726 -10.272 -9.865 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.956 -10.137 -9.994 1.00 0.00 H new ATOM 504 N ALA A 36 5.657 -7.349 -10.025 1.00 0.00 N ATOM 505 CA ALA A 36 4.366 -7.365 -9.349 1.00 0.00 C ATOM 506 C ALA A 36 3.321 -8.101 -10.180 1.00 0.00 C ATOM 507 O ALA A 36 3.384 -8.109 -11.410 1.00 0.00 O ATOM 508 CB ALA A 36 3.906 -5.945 -9.056 1.00 0.00 C ATOM 0 H ALA A 36 5.617 -7.064 -11.004 1.00 0.00 H new ATOM 0 HA ALA A 36 4.484 -7.898 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.940 -5.972 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.637 -5.451 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.811 -5.393 -9.991 1.00 0.00 H new ATOM 514 N TYR A 37 2.360 -8.718 -9.502 1.00 0.00 N ATOM 515 CA TYR A 37 1.302 -9.459 -10.178 1.00 0.00 C ATOM 516 C TYR A 37 -0.047 -8.771 -9.998 1.00 0.00 C ATOM 517 O TYR A 37 -0.450 -8.455 -8.878 1.00 0.00 O ATOM 518 CB TYR A 37 1.232 -10.891 -9.644 1.00 0.00 C ATOM 519 CG TYR A 37 2.464 -11.712 -9.949 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.723 -11.292 -9.536 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.370 -12.908 -10.651 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.851 -12.039 -9.814 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.493 -13.662 -10.931 1.00 0.00 C ATOM 524 CZ TYR A 37 4.731 -13.223 -10.511 1.00 0.00 C ATOM 525 OH TYR A 37 5.852 -13.971 -10.790 1.00 0.00 O ATOM 0 H TYR A 37 2.292 -8.720 -8.484 1.00 0.00 H new ATOM 0 HA TYR A 37 1.536 -9.486 -11.242 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.084 -10.860 -8.564 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.360 -11.387 -10.071 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.821 -10.366 -8.989 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.402 -13.254 -10.983 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.822 -11.698 -9.487 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.402 -14.590 -11.476 1.00 0.00 H new ATOM 0 HH TYR A 37 5.593 -14.776 -11.286 1.00 0.00 H new ATOM 535 N GLN A 38 -0.741 -8.541 -11.108 1.00 0.00 N ATOM 536 CA GLN A 38 -2.045 -7.890 -11.074 1.00 0.00 C ATOM 537 C GLN A 38 -3.100 -8.748 -11.762 1.00 0.00 C ATOM 538 O GLN A 38 -2.774 -9.646 -12.540 1.00 0.00 O ATOM 539 CB GLN A 38 -1.970 -6.517 -11.743 1.00 0.00 C ATOM 540 CG GLN A 38 -3.077 -5.569 -11.312 1.00 0.00 C ATOM 541 CD GLN A 38 -2.663 -4.113 -11.392 1.00 0.00 C ATOM 542 OE1 GLN A 38 -1.670 -3.772 -12.036 1.00 0.00 O ATOM 543 NE2 GLN A 38 -3.424 -3.243 -10.738 1.00 0.00 N ATOM 0 H GLN A 38 -0.422 -8.796 -12.043 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.332 -7.762 -10.030 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.005 -6.063 -11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.014 -6.646 -12.824 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.952 -5.729 -11.941 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.373 -5.803 -10.289 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.238 -3.568 -10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.194 -2.249 -10.757 1.00 0.00 H new ATOM 552 N ARG A 39 -4.366 -8.467 -11.472 1.00 0.00 N ATOM 553 CA ARG A 39 -5.470 -9.215 -12.062 1.00 0.00 C ATOM 554 C ARG A 39 -6.318 -8.316 -12.958 1.00 0.00 C ATOM 555 O ARG A 39 -6.075 -7.113 -13.057 1.00 0.00 O ATOM 556 CB ARG A 39 -6.342 -9.829 -10.966 1.00 0.00 C ATOM 557 CG ARG A 39 -5.907 -11.225 -10.551 1.00 0.00 C ATOM 558 CD ARG A 39 -6.874 -11.836 -9.550 1.00 0.00 C ATOM 559 NE ARG A 39 -8.212 -12.001 -10.112 1.00 0.00 N ATOM 560 CZ ARG A 39 -9.099 -12.877 -9.654 1.00 0.00 C ATOM 561 NH1 ARG A 39 -8.791 -13.664 -8.632 1.00 0.00 N ATOM 562 NH2 ARG A 39 -10.296 -12.968 -10.218 1.00 0.00 N ATOM 0 H ARG A 39 -4.653 -7.727 -10.832 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.049 -10.014 -12.672 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.325 -9.178 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.374 -9.868 -11.314 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.842 -11.864 -11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.909 -11.181 -10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.495 -12.805 -9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.928 -11.202 -8.665 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.480 -11.411 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.871 -13.597 -8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.474 -14.336 -8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.536 -12.365 -11.005 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.976 -13.641 -9.865 1.00 0.00 H new ATOM 576 N LYS A 40 -7.314 -8.908 -13.608 1.00 0.00 N ATOM 577 CA LYS A 40 -8.199 -8.163 -14.495 1.00 0.00 C ATOM 578 C LYS A 40 -9.103 -7.226 -13.700 1.00 0.00 C ATOM 579 O LYS A 40 -9.617 -7.592 -12.644 1.00 0.00 O ATOM 580 CB LYS A 40 -9.050 -9.125 -15.327 1.00 0.00 C ATOM 581 CG LYS A 40 -9.934 -10.033 -14.491 1.00 0.00 C ATOM 582 CD LYS A 40 -11.070 -10.617 -15.314 1.00 0.00 C ATOM 583 CE LYS A 40 -12.091 -11.322 -14.434 1.00 0.00 C ATOM 584 NZ LYS A 40 -13.122 -10.380 -13.917 1.00 0.00 N ATOM 0 H LYS A 40 -7.529 -9.903 -13.537 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.581 -7.563 -15.163 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.676 -8.548 -16.007 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.393 -9.739 -15.943 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.334 -10.841 -14.072 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.343 -9.471 -13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.560 -9.822 -15.876 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.668 -11.321 -16.043 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.576 -12.114 -15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.581 -11.798 -13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.799 -10.899 -13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.662 -9.638 -13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.626 -9.944 -14.716 1.00 0.00 H new ATOM 598 N GLY A 41 -9.294 -6.015 -14.216 1.00 0.00 N ATOM 599 CA GLY A 41 -10.137 -5.046 -13.542 1.00 0.00 C ATOM 600 C GLY A 41 -9.776 -4.882 -12.078 1.00 0.00 C ATOM 601 O GLY A 41 -10.649 -4.904 -11.211 1.00 0.00 O ATOM 0 H GLY A 41 -8.880 -5.688 -15.089 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.051 -4.083 -14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.179 -5.356 -13.624 1.00 0.00 H new ATOM 605 N SER A 42 -8.486 -4.719 -11.803 1.00 0.00 N ATOM 606 CA SER A 42 -8.011 -4.557 -10.434 1.00 0.00 C ATOM 607 C SER A 42 -6.834 -3.588 -10.379 1.00 0.00 C ATOM 608 O SER A 42 -6.120 -3.405 -11.364 1.00 0.00 O ATOM 609 CB SER A 42 -7.600 -5.910 -9.851 1.00 0.00 C ATOM 610 OG SER A 42 -6.371 -6.350 -10.400 1.00 0.00 O ATOM 0 H SER A 42 -7.751 -4.696 -12.510 1.00 0.00 H new ATOM 0 HA SER A 42 -8.826 -4.146 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.510 -5.830 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.377 -6.648 -10.053 1.00 0.00 H new ATOM 0 HG SER A 42 -6.453 -6.415 -11.374 1.00 0.00 H new ATOM 616 N ALA A 43 -6.640 -2.968 -9.219 1.00 0.00 N ATOM 617 CA ALA A 43 -5.549 -2.019 -9.033 1.00 0.00 C ATOM 618 C ALA A 43 -4.498 -2.572 -8.077 1.00 0.00 C ATOM 619 O ALA A 43 -3.297 -2.442 -8.316 1.00 0.00 O ATOM 620 CB ALA A 43 -6.087 -0.692 -8.520 1.00 0.00 C ATOM 0 H ALA A 43 -7.224 -3.106 -8.394 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.072 -1.856 -10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.262 0.008 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.795 -0.283 -9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.590 -0.848 -7.566 1.00 0.00 H new ATOM 626 N HIS A 44 -4.957 -3.187 -6.991 1.00 0.00 N ATOM 627 CA HIS A 44 -4.055 -3.760 -5.998 1.00 0.00 C ATOM 628 C HIS A 44 -3.036 -4.684 -6.658 1.00 0.00 C ATOM 629 O HIS A 44 -3.382 -5.490 -7.523 1.00 0.00 O ATOM 630 CB HIS A 44 -4.849 -4.528 -4.941 1.00 0.00 C ATOM 631 CG HIS A 44 -5.579 -3.642 -3.979 1.00 0.00 C ATOM 632 ND1 HIS A 44 -6.706 -4.043 -3.293 1.00 0.00 N ATOM 633 CD2 HIS A 44 -5.337 -2.368 -3.589 1.00 0.00 C ATOM 634 CE1 HIS A 44 -7.127 -3.054 -2.525 1.00 0.00 C ATOM 635 NE2 HIS A 44 -6.313 -2.027 -2.685 1.00 0.00 N ATOM 0 H HIS A 44 -5.948 -3.301 -6.777 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.518 -2.943 -5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.567 -5.179 -5.440 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.168 -5.172 -4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.527 -1.738 -3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.990 -3.081 -1.877 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.396 -1.126 -2.214 1.00 0.00 H new ATOM 644 N LEU A 45 -1.780 -4.562 -6.245 1.00 0.00 N ATOM 645 CA LEU A 45 -0.710 -5.386 -6.797 1.00 0.00 C ATOM 646 C LEU A 45 -0.363 -6.532 -5.852 1.00 0.00 C ATOM 647 O LEU A 45 -0.881 -6.610 -4.737 1.00 0.00 O ATOM 648 CB LEU A 45 0.533 -4.534 -7.060 1.00 0.00 C ATOM 649 CG LEU A 45 0.415 -3.504 -8.184 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.666 -2.643 -8.253 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.167 -4.195 -9.517 1.00 0.00 C ATOM 0 H LEU A 45 -1.477 -3.901 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.060 -5.808 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.791 -4.010 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.364 -5.201 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.435 -2.857 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.563 -1.916 -9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.800 -2.119 -7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.533 -3.276 -8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.086 -3.447 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.996 -4.867 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.759 -4.767 -9.463 1.00 0.00 H new ATOM 663 N PHE A 46 0.517 -7.419 -6.304 1.00 0.00 N ATOM 664 CA PHE A 46 0.934 -8.561 -5.498 1.00 0.00 C ATOM 665 C PHE A 46 2.410 -8.875 -5.723 1.00 0.00 C ATOM 666 O PHE A 46 2.978 -8.535 -6.761 1.00 0.00 O ATOM 667 CB PHE A 46 0.083 -9.788 -5.835 1.00 0.00 C ATOM 668 CG PHE A 46 -1.366 -9.629 -5.473 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.788 -9.787 -4.163 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.306 -9.323 -6.444 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.121 -9.643 -3.828 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.641 -9.177 -6.115 1.00 0.00 C ATOM 673 CZ PHE A 46 -4.048 -9.336 -4.805 1.00 0.00 C ATOM 0 H PHE A 46 0.955 -7.369 -7.224 1.00 0.00 H new ATOM 0 HA PHE A 46 0.791 -8.305 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.162 -9.993 -6.903 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.487 -10.655 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.067 -10.025 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.992 -9.197 -7.470 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.438 -9.770 -2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.364 -8.939 -6.881 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.090 -9.220 -4.545 1.00 0.00 H new ATOM 683 N CYS A 47 3.027 -9.525 -4.741 1.00 0.00 N ATOM 684 CA CYS A 47 4.437 -9.885 -4.829 1.00 0.00 C ATOM 685 C CYS A 47 4.649 -11.010 -5.838 1.00 0.00 C ATOM 686 O CYS A 47 5.563 -10.956 -6.661 1.00 0.00 O ATOM 687 CB CYS A 47 4.963 -10.309 -3.457 1.00 0.00 C ATOM 688 SG CYS A 47 4.382 -11.948 -2.912 1.00 0.00 S ATOM 0 H CYS A 47 2.572 -9.813 -3.875 1.00 0.00 H new ATOM 0 HA CYS A 47 4.990 -9.009 -5.167 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.053 -10.312 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.663 -9.565 -2.719 1.00 0.00 H new ATOM 693 N SER A 48 3.798 -12.029 -5.767 1.00 0.00 N ATOM 694 CA SER A 48 3.895 -13.169 -6.671 1.00 0.00 C ATOM 695 C SER A 48 2.516 -13.761 -6.947 1.00 0.00 C ATOM 696 O SER A 48 1.611 -13.675 -6.116 1.00 0.00 O ATOM 697 CB SER A 48 4.813 -14.240 -6.079 1.00 0.00 C ATOM 698 OG SER A 48 4.858 -15.388 -6.909 1.00 0.00 O ATOM 0 H SER A 48 3.034 -12.088 -5.093 1.00 0.00 H new ATOM 0 HA SER A 48 4.317 -12.820 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.818 -13.836 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.459 -14.519 -5.086 1.00 0.00 H new ATOM 0 HG SER A 48 5.453 -16.057 -6.510 1.00 0.00 H new ATOM 704 N THR A 49 2.362 -14.364 -8.122 1.00 0.00 N ATOM 705 CA THR A 49 1.095 -14.970 -8.510 1.00 0.00 C ATOM 706 C THR A 49 0.485 -15.757 -7.355 1.00 0.00 C ATOM 707 O THR A 49 -0.729 -15.958 -7.299 1.00 0.00 O ATOM 708 CB THR A 49 1.267 -15.908 -9.720 1.00 0.00 C ATOM 709 OG1 THR A 49 0.008 -16.493 -10.070 1.00 0.00 O ATOM 710 CG2 THR A 49 2.275 -17.006 -9.415 1.00 0.00 C ATOM 0 H THR A 49 3.100 -14.445 -8.821 1.00 0.00 H new ATOM 0 HA THR A 49 0.426 -14.154 -8.784 1.00 0.00 H new ATOM 0 HB THR A 49 1.638 -15.318 -10.558 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.126 -17.087 -10.841 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.380 -17.656 -10.284 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.240 -16.558 -9.178 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.928 -17.592 -8.564 1.00 0.00 H new ATOM 718 N THR A 50 1.335 -16.201 -6.434 1.00 0.00 N ATOM 719 CA THR A 50 0.879 -16.966 -5.280 1.00 0.00 C ATOM 720 C THR A 50 -0.116 -16.166 -4.448 1.00 0.00 C ATOM 721 O THR A 50 -1.127 -16.699 -3.988 1.00 0.00 O ATOM 722 CB THR A 50 2.059 -17.386 -4.384 1.00 0.00 C ATOM 723 OG1 THR A 50 3.004 -18.149 -5.143 1.00 0.00 O ATOM 724 CG2 THR A 50 1.573 -18.207 -3.199 1.00 0.00 C ATOM 0 H THR A 50 2.342 -16.044 -6.465 1.00 0.00 H new ATOM 0 HA THR A 50 0.389 -17.860 -5.667 1.00 0.00 H new ATOM 0 HB THR A 50 2.540 -16.483 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.752 -18.411 -4.566 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.424 -18.492 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.876 -17.614 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.070 -19.104 -3.560 1.00 0.00 H new ATOM 732 N CYS A 51 0.175 -14.883 -4.257 1.00 0.00 N ATOM 733 CA CYS A 51 -0.695 -14.009 -3.480 1.00 0.00 C ATOM 734 C CYS A 51 -1.830 -13.465 -4.342 1.00 0.00 C ATOM 735 O CYS A 51 -2.979 -13.396 -3.904 1.00 0.00 O ATOM 736 CB CYS A 51 0.110 -12.850 -2.888 1.00 0.00 C ATOM 737 SG CYS A 51 1.154 -13.318 -1.470 1.00 0.00 S ATOM 0 H CYS A 51 1.007 -14.426 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.127 -14.595 -2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.743 -12.426 -3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.579 -12.066 -2.575 1.00 0.00 H new ATOM 742 N LEU A 52 -1.501 -13.081 -5.571 1.00 0.00 N ATOM 743 CA LEU A 52 -2.493 -12.544 -6.496 1.00 0.00 C ATOM 744 C LEU A 52 -3.698 -13.472 -6.602 1.00 0.00 C ATOM 745 O LEU A 52 -4.826 -13.021 -6.805 1.00 0.00 O ATOM 746 CB LEU A 52 -1.871 -12.338 -7.878 1.00 0.00 C ATOM 747 CG LEU A 52 -2.819 -12.480 -9.069 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.383 -11.574 -10.210 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.881 -13.929 -9.530 1.00 0.00 C ATOM 0 H LEU A 52 -0.555 -13.132 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.831 -11.583 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.427 -11.343 -7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.058 -13.054 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.817 -12.176 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.070 -11.689 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.390 -10.537 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.376 -11.846 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.560 -14.012 -10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.886 -14.259 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.241 -14.555 -8.714 1.00 0.00 H new ATOM 761 N SER A 53 -3.453 -14.771 -6.461 1.00 0.00 N ATOM 762 CA SER A 53 -4.518 -15.763 -6.542 1.00 0.00 C ATOM 763 C SER A 53 -5.032 -16.123 -5.152 1.00 0.00 C ATOM 764 O SER A 53 -6.240 -16.162 -4.915 1.00 0.00 O ATOM 765 CB SER A 53 -4.018 -17.022 -7.254 1.00 0.00 C ATOM 766 OG SER A 53 -3.112 -17.744 -6.439 1.00 0.00 O ATOM 0 H SER A 53 -2.526 -15.161 -6.290 1.00 0.00 H new ATOM 0 HA SER A 53 -5.339 -15.332 -7.114 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.865 -17.658 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.530 -16.745 -8.189 1.00 0.00 H new ATOM 0 HG SER A 53 -2.218 -17.351 -6.516 1.00 0.00 H new ATOM 772 N SER A 54 -4.107 -16.385 -4.234 1.00 0.00 N ATOM 773 CA SER A 54 -4.465 -16.746 -2.868 1.00 0.00 C ATOM 774 C SER A 54 -5.455 -15.742 -2.283 1.00 0.00 C ATOM 775 O SER A 54 -6.422 -16.120 -1.622 1.00 0.00 O ATOM 776 CB SER A 54 -3.214 -16.815 -1.991 1.00 0.00 C ATOM 777 OG SER A 54 -2.656 -18.118 -1.999 1.00 0.00 O ATOM 0 H SER A 54 -3.103 -16.354 -4.412 1.00 0.00 H new ATOM 0 HA SER A 54 -4.939 -17.727 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.475 -16.098 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.466 -16.530 -0.969 1.00 0.00 H new ATOM 0 HG SER A 54 -1.944 -18.165 -2.671 1.00 0.00 H new ATOM 783 N PHE A 55 -5.205 -14.461 -2.532 1.00 0.00 N ATOM 784 CA PHE A 55 -6.072 -13.402 -2.030 1.00 0.00 C ATOM 785 C PHE A 55 -7.542 -13.761 -2.231 1.00 0.00 C ATOM 786 O PHE A 55 -8.346 -13.672 -1.303 1.00 0.00 O ATOM 787 CB PHE A 55 -5.758 -12.080 -2.733 1.00 0.00 C ATOM 788 CG PHE A 55 -6.385 -10.885 -2.073 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.773 -10.274 -0.991 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.588 -10.374 -2.535 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.347 -9.174 -0.382 1.00 0.00 C ATOM 792 CE2 PHE A 55 -8.167 -9.275 -1.929 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.547 -8.675 -0.851 1.00 0.00 C ATOM 0 H PHE A 55 -4.409 -14.131 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.886 -13.291 -0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.677 -11.942 -2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.102 -12.137 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.836 -10.662 -0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.078 -10.840 -3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.858 -8.705 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.104 -8.886 -2.299 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.999 -7.817 -0.375 1.00 0.00 H new ATOM 803 N SER A 56 -7.884 -14.165 -3.449 1.00 0.00 N ATOM 804 CA SER A 56 -9.257 -14.534 -3.775 1.00 0.00 C ATOM 805 C SER A 56 -9.766 -15.621 -2.832 1.00 0.00 C ATOM 806 O SER A 56 -9.124 -16.656 -2.657 1.00 0.00 O ATOM 807 CB SER A 56 -9.349 -15.016 -5.224 1.00 0.00 C ATOM 808 OG SER A 56 -10.668 -15.420 -5.544 1.00 0.00 O ATOM 0 H SER A 56 -7.230 -14.245 -4.227 1.00 0.00 H new ATOM 0 HA SER A 56 -9.883 -13.650 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.037 -14.217 -5.897 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.663 -15.849 -5.378 1.00 0.00 H new ATOM 0 HG SER A 56 -10.701 -15.722 -6.476 1.00 0.00 H new ATOM 814 N SER A 57 -10.924 -15.377 -2.228 1.00 0.00 N ATOM 815 CA SER A 57 -11.518 -16.332 -1.300 1.00 0.00 C ATOM 816 C SER A 57 -12.221 -17.456 -2.054 1.00 0.00 C ATOM 817 O SER A 57 -13.361 -17.805 -1.751 1.00 0.00 O ATOM 818 CB SER A 57 -12.510 -15.626 -0.374 1.00 0.00 C ATOM 819 OG SER A 57 -12.829 -16.436 0.745 1.00 0.00 O ATOM 0 H SER A 57 -11.470 -14.526 -2.364 1.00 0.00 H new ATOM 0 HA SER A 57 -10.717 -16.765 -0.701 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.086 -14.681 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.420 -15.387 -0.925 1.00 0.00 H new ATOM 0 HG SER A 57 -13.184 -17.296 0.436 1.00 0.00 H new ATOM 825 N GLY A 58 -11.531 -18.021 -3.041 1.00 0.00 N ATOM 826 CA GLY A 58 -12.104 -19.100 -3.824 1.00 0.00 C ATOM 827 C GLY A 58 -13.345 -18.671 -4.581 1.00 0.00 C ATOM 828 O GLY A 58 -13.904 -17.601 -4.343 1.00 0.00 O ATOM 0 H GLY A 58 -10.586 -17.750 -3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.360 -19.467 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.354 -19.931 -3.164 1.00 0.00 H new ATOM 832 N PRO A 59 -13.793 -19.519 -5.520 1.00 0.00 N ATOM 833 CA PRO A 59 -14.980 -19.242 -6.334 1.00 0.00 C ATOM 834 C PRO A 59 -16.268 -19.307 -5.522 1.00 0.00 C ATOM 835 O PRO A 59 -17.359 -19.104 -6.054 1.00 0.00 O ATOM 836 CB PRO A 59 -14.955 -20.354 -7.386 1.00 0.00 C ATOM 837 CG PRO A 59 -14.198 -21.466 -6.744 1.00 0.00 C ATOM 838 CD PRO A 59 -13.175 -20.812 -5.857 1.00 0.00 C ATOM 0 HA PRO A 59 -14.960 -18.237 -6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.964 -20.666 -7.656 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.468 -20.021 -8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.863 -22.108 -6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.719 -22.096 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.977 -21.407 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.223 -20.681 -6.371 1.00 0.00 H new ATOM 846 N SER A 60 -16.134 -19.590 -4.230 1.00 0.00 N ATOM 847 CA SER A 60 -17.289 -19.684 -3.344 1.00 0.00 C ATOM 848 C SER A 60 -17.607 -18.328 -2.720 1.00 0.00 C ATOM 849 O SER A 60 -16.713 -17.515 -2.487 1.00 0.00 O ATOM 850 CB SER A 60 -17.033 -20.717 -2.245 1.00 0.00 C ATOM 851 OG SER A 60 -16.249 -20.166 -1.201 1.00 0.00 O ATOM 0 H SER A 60 -15.237 -19.758 -3.773 1.00 0.00 H new ATOM 0 HA SER A 60 -18.146 -20.001 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.983 -21.069 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.525 -21.584 -2.667 1.00 0.00 H new ATOM 0 HG SER A 60 -16.101 -20.845 -0.510 1.00 0.00 H new ATOM 857 N SER A 61 -18.887 -18.093 -2.452 1.00 0.00 N ATOM 858 CA SER A 61 -19.325 -16.835 -1.859 1.00 0.00 C ATOM 859 C SER A 61 -20.688 -16.995 -1.191 1.00 0.00 C ATOM 860 O SER A 61 -21.402 -17.966 -1.436 1.00 0.00 O ATOM 861 CB SER A 61 -19.392 -15.740 -2.925 1.00 0.00 C ATOM 862 OG SER A 61 -18.155 -15.058 -3.033 1.00 0.00 O ATOM 0 H SER A 61 -19.639 -18.757 -2.636 1.00 0.00 H new ATOM 0 HA SER A 61 -18.599 -16.548 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.653 -16.180 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 61 -20.181 -15.031 -2.674 1.00 0.00 H new ATOM 0 HG SER A 61 -17.420 -15.688 -2.882 1.00 0.00 H new ATOM 868 N GLY A 62 -21.042 -16.032 -0.345 1.00 0.00 N ATOM 869 CA GLY A 62 -22.317 -16.084 0.346 1.00 0.00 C ATOM 870 C GLY A 62 -23.414 -15.358 -0.407 1.00 0.00 C ATOM 871 O GLY A 62 -23.313 -15.219 -1.625 1.00 0.00 O ATOM 0 H GLY A 62 -20.469 -15.217 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -22.607 -17.125 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -22.208 -15.644 1.337 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.676 -11.558 -1.375 1.00 0.00 ZN