USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 829 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 NoAdj-H: A 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.099 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.37! X(o=-1.4!,f=-1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= 0.0118 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.224 X(o=0.22,f=-0.047) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 54:sc= 0.419 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.171 USER MOD Single : A 48 TYR OH : rot -72:sc= 1.05 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00875 USER MOD Single : A 69 HIS : no HD1:sc= -0.141 K(o=-0.14,f=-0.98) USER MOD Single : A 70 MET CE :methyl -167:sc= 0 (180deg=-0.388) USER MOD Single : A 72 SER OG : rot -51:sc= 0.742 USER MOD Single : A 77 MET CE :methyl 163:sc= -0.0233 (180deg=-0.626) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 1.48 K(o=1.5,f=-2.2) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.3!) USER MOD Single : A 109 ASN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.000 -14.047 -13.076 1.00 0.00 N ATOM 2 CA GLY A 1 -16.815 -13.160 -13.085 1.00 0.00 C ATOM 3 C GLY A 1 -16.288 -12.919 -11.688 1.00 0.00 C ATOM 4 O GLY A 1 -16.950 -13.255 -10.704 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.777 -14.930 -13.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.263 -14.265 -12.094 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.794 -13.570 -13.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.031 -13.605 -13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.077 -12.207 -13.545 1.00 0.00 H new ATOM 10 N SER A 2 -15.099 -12.352 -11.594 1.00 0.00 N ATOM 11 CA SER A 2 -14.484 -12.078 -10.308 1.00 0.00 C ATOM 12 C SER A 2 -14.417 -10.574 -10.051 1.00 0.00 C ATOM 13 O SER A 2 -14.508 -9.775 -10.986 1.00 0.00 O ATOM 14 CB SER A 2 -13.085 -12.690 -10.261 1.00 0.00 C ATOM 15 OG SER A 2 -12.872 -13.562 -11.361 1.00 0.00 O ATOM 0 H SER A 2 -14.537 -12.071 -12.398 1.00 0.00 H new ATOM 0 HA SER A 2 -15.095 -12.528 -9.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.337 -11.897 -10.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.956 -13.238 -9.328 1.00 0.00 H new ATOM 0 HG SER A 2 -11.969 -13.940 -11.309 1.00 0.00 H new ATOM 21 N LEU A 3 -14.289 -10.194 -8.783 1.00 0.00 N ATOM 22 CA LEU A 3 -14.221 -8.787 -8.402 1.00 0.00 C ATOM 23 C LEU A 3 -12.821 -8.225 -8.651 1.00 0.00 C ATOM 24 O LEU A 3 -12.381 -8.106 -9.796 1.00 0.00 O ATOM 25 CB LEU A 3 -14.598 -8.613 -6.926 1.00 0.00 C ATOM 26 CG LEU A 3 -16.060 -8.889 -6.587 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.164 -10.030 -5.591 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.721 -7.638 -6.033 1.00 0.00 C ATOM 0 H LEU A 3 -14.230 -10.844 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.932 -8.236 -9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.973 -9.276 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.359 -7.593 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.580 -9.178 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.213 -10.216 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.723 -10.929 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.631 -9.765 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.763 -7.852 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.201 -7.322 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.674 -6.842 -6.776 1.00 0.00 H new ATOM 40 N LEU A 4 -12.096 -7.945 -7.579 1.00 0.00 N ATOM 41 CA LEU A 4 -10.730 -7.466 -7.693 1.00 0.00 C ATOM 42 C LEU A 4 -9.762 -8.517 -7.191 1.00 0.00 C ATOM 43 O LEU A 4 -10.126 -9.376 -6.393 1.00 0.00 O ATOM 44 CB LEU A 4 -10.526 -6.181 -6.894 1.00 0.00 C ATOM 45 CG LEU A 4 -11.686 -5.195 -6.910 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.997 -4.734 -5.498 1.00 0.00 C ATOM 47 CD2 LEU A 4 -11.346 -4.011 -7.796 1.00 0.00 C ATOM 0 H LEU A 4 -12.432 -8.042 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.540 -7.260 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.317 -6.450 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.640 -5.675 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.570 -5.689 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.828 -4.029 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.267 -5.594 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.119 -4.247 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.181 -3.310 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.456 -3.512 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.157 -4.359 -8.811 1.00 0.00 H new ATOM 59 N THR A 5 -8.513 -8.395 -7.586 1.00 0.00 N ATOM 60 CA THR A 5 -7.482 -9.291 -7.105 1.00 0.00 C ATOM 61 C THR A 5 -6.249 -8.507 -6.690 1.00 0.00 C ATOM 62 O THR A 5 -5.798 -7.615 -7.409 1.00 0.00 O ATOM 63 CB THR A 5 -7.104 -10.332 -8.163 1.00 0.00 C ATOM 64 OG1 THR A 5 -7.632 -9.948 -9.441 1.00 0.00 O ATOM 65 CG2 THR A 5 -7.647 -11.692 -7.776 1.00 0.00 C ATOM 0 H THR A 5 -8.186 -7.683 -8.240 1.00 0.00 H new ATOM 0 HA THR A 5 -7.883 -9.817 -6.239 1.00 0.00 H new ATOM 0 HB THR A 5 -6.017 -10.387 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.384 -10.618 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.372 -12.423 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.228 -11.991 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.733 -11.641 -7.698 1.00 0.00 H new ATOM 73 N CYS A 6 -5.768 -8.793 -5.494 1.00 0.00 N ATOM 74 CA CYS A 6 -4.652 -8.069 -4.921 1.00 0.00 C ATOM 75 C CYS A 6 -3.328 -8.662 -5.391 1.00 0.00 C ATOM 76 O CYS A 6 -3.233 -9.864 -5.642 1.00 0.00 O ATOM 77 CB CYS A 6 -4.780 -8.079 -3.392 1.00 0.00 C ATOM 78 SG CYS A 6 -3.345 -8.724 -2.473 1.00 0.00 S ATOM 0 H CYS A 6 -6.139 -9.531 -4.896 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.669 -7.033 -5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.972 -7.060 -3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.654 -8.673 -3.125 1.00 0.00 H new ATOM 83 N GLY A 7 -2.336 -7.805 -5.583 1.00 0.00 N ATOM 84 CA GLY A 7 -1.048 -8.257 -6.078 1.00 0.00 C ATOM 85 C GLY A 7 -0.168 -8.810 -4.973 1.00 0.00 C ATOM 86 O GLY A 7 0.942 -9.279 -5.229 1.00 0.00 O ATOM 0 H GLY A 7 -2.398 -6.803 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.202 -9.025 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.537 -7.427 -6.565 1.00 0.00 H new ATOM 90 N GLY A 8 -0.656 -8.738 -3.744 1.00 0.00 N ATOM 91 CA GLY A 8 0.102 -9.227 -2.613 1.00 0.00 C ATOM 92 C GLY A 8 -0.146 -10.694 -2.337 1.00 0.00 C ATOM 93 O GLY A 8 0.799 -11.459 -2.127 1.00 0.00 O ATOM 0 H GLY A 8 -1.569 -8.347 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.165 -9.070 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.157 -8.646 -1.728 1.00 0.00 H new ATOM 97 N CYS A 9 -1.410 -11.092 -2.332 1.00 0.00 N ATOM 98 CA CYS A 9 -1.762 -12.478 -2.056 1.00 0.00 C ATOM 99 C CYS A 9 -2.531 -13.103 -3.218 1.00 0.00 C ATOM 100 O CYS A 9 -2.447 -14.311 -3.443 1.00 0.00 O ATOM 101 CB CYS A 9 -2.579 -12.571 -0.765 1.00 0.00 C ATOM 102 SG CYS A 9 -4.278 -11.923 -0.895 1.00 0.00 S ATOM 0 H CYS A 9 -2.205 -10.479 -2.515 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.836 -13.039 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.625 -13.615 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.056 -12.027 0.021 1.00 0.00 H new ATOM 107 N GLN A 10 -3.283 -12.268 -3.936 1.00 0.00 N ATOM 108 CA GLN A 10 -4.076 -12.705 -5.085 1.00 0.00 C ATOM 109 C GLN A 10 -5.213 -13.644 -4.675 1.00 0.00 C ATOM 110 O GLN A 10 -5.720 -14.405 -5.495 1.00 0.00 O ATOM 111 CB GLN A 10 -3.188 -13.370 -6.139 1.00 0.00 C ATOM 112 CG GLN A 10 -3.294 -12.730 -7.512 1.00 0.00 C ATOM 113 CD GLN A 10 -1.956 -12.260 -8.041 1.00 0.00 C ATOM 114 OE1 GLN A 10 -1.335 -12.921 -8.869 1.00 0.00 O ATOM 115 NE2 GLN A 10 -1.506 -11.110 -7.568 1.00 0.00 N ATOM 0 H GLN A 10 -3.359 -11.270 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.528 -11.813 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.151 -13.329 -5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.456 -14.424 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.725 -13.447 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.978 -11.883 -7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.053 -10.592 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.611 -10.741 -7.890 1.00 0.00 H new ATOM 124 N GLN A 11 -5.664 -13.537 -3.427 1.00 0.00 N ATOM 125 CA GLN A 11 -6.779 -14.352 -2.946 1.00 0.00 C ATOM 126 C GLN A 11 -8.122 -13.740 -3.341 1.00 0.00 C ATOM 127 O GLN A 11 -9.173 -14.194 -2.885 1.00 0.00 O ATOM 128 CB GLN A 11 -6.715 -14.505 -1.421 1.00 0.00 C ATOM 129 CG GLN A 11 -7.174 -13.268 -0.664 1.00 0.00 C ATOM 130 CD GLN A 11 -8.233 -13.561 0.380 1.00 0.00 C ATOM 131 OE1 GLN A 11 -9.226 -14.237 0.111 1.00 0.00 O ATOM 132 NE2 GLN A 11 -8.026 -13.055 1.582 1.00 0.00 N ATOM 0 H GLN A 11 -5.277 -12.897 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.693 -15.334 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.332 -15.353 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.691 -14.739 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.313 -12.808 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.566 -12.541 -1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.190 -12.500 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.702 -13.219 2.328 1.00 0.00 H new ATOM 141 N ASN A 12 -8.059 -12.658 -4.121 1.00 0.00 N ATOM 142 CA ASN A 12 -9.242 -11.889 -4.527 1.00 0.00 C ATOM 143 C ASN A 12 -9.730 -11.014 -3.373 1.00 0.00 C ATOM 144 O ASN A 12 -9.754 -11.440 -2.217 1.00 0.00 O ATOM 145 CB ASN A 12 -10.374 -12.801 -5.036 1.00 0.00 C ATOM 146 CG ASN A 12 -11.746 -12.145 -4.967 1.00 0.00 C ATOM 147 OD1 ASN A 12 -12.103 -11.322 -5.812 1.00 0.00 O ATOM 148 ND2 ASN A 12 -12.526 -12.513 -3.968 1.00 0.00 N ATOM 0 H ASN A 12 -7.184 -12.288 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.948 -11.246 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.166 -13.087 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.386 -13.718 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.460 -12.113 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.195 -13.197 -3.288 1.00 0.00 H new ATOM 155 N ILE A 13 -10.056 -9.772 -3.688 1.00 0.00 N ATOM 156 CA ILE A 13 -10.507 -8.822 -2.686 1.00 0.00 C ATOM 157 C ILE A 13 -12.025 -8.847 -2.569 1.00 0.00 C ATOM 158 O ILE A 13 -12.739 -8.394 -3.466 1.00 0.00 O ATOM 159 CB ILE A 13 -10.033 -7.394 -3.007 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.571 -7.417 -3.459 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.203 -6.487 -1.797 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.232 -6.338 -4.461 1.00 0.00 C ATOM 0 H ILE A 13 -10.016 -9.397 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.069 -9.121 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.645 -6.997 -3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.928 -7.306 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.350 -8.390 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.862 -5.482 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.255 -6.454 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.614 -6.875 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.180 -6.415 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.850 -6.460 -5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.421 -5.359 -4.020 1.00 0.00 H new ATOM 174 N GLY A 14 -12.506 -9.411 -1.471 1.00 0.00 N ATOM 175 CA GLY A 14 -13.932 -9.514 -1.250 1.00 0.00 C ATOM 176 C GLY A 14 -14.396 -8.630 -0.113 1.00 0.00 C ATOM 177 O GLY A 14 -15.581 -8.603 0.218 1.00 0.00 O ATOM 0 H GLY A 14 -11.929 -9.801 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.461 -9.238 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.191 -10.550 -1.032 1.00 0.00 H new ATOM 181 N ASP A 15 -13.466 -7.870 0.454 1.00 0.00 N ATOM 182 CA ASP A 15 -13.786 -6.945 1.538 1.00 0.00 C ATOM 183 C ASP A 15 -14.574 -5.758 0.996 1.00 0.00 C ATOM 184 O ASP A 15 -14.814 -5.663 -0.208 1.00 0.00 O ATOM 185 CB ASP A 15 -12.509 -6.456 2.226 1.00 0.00 C ATOM 186 CG ASP A 15 -11.718 -7.581 2.861 1.00 0.00 C ATOM 187 OD1 ASP A 15 -12.180 -8.143 3.876 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.637 -7.923 2.334 1.00 0.00 O ATOM 0 H ASP A 15 -12.483 -7.875 0.182 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.394 -7.472 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.882 -5.944 1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.771 -5.725 2.991 1.00 0.00 H new ATOM 193 N ARG A 16 -14.971 -4.847 1.872 1.00 0.00 N ATOM 194 CA ARG A 16 -15.726 -3.678 1.443 1.00 0.00 C ATOM 195 C ARG A 16 -14.788 -2.524 1.097 1.00 0.00 C ATOM 196 O ARG A 16 -15.094 -1.701 0.230 1.00 0.00 O ATOM 197 CB ARG A 16 -16.739 -3.252 2.517 1.00 0.00 C ATOM 198 CG ARG A 16 -16.129 -2.531 3.708 1.00 0.00 C ATOM 199 CD ARG A 16 -17.058 -1.453 4.245 1.00 0.00 C ATOM 200 NE ARG A 16 -16.360 -0.514 5.121 1.00 0.00 N ATOM 201 CZ ARG A 16 -16.803 0.709 5.419 1.00 0.00 C ATOM 202 NH1 ARG A 16 -17.957 1.143 4.928 1.00 0.00 N ATOM 203 NH2 ARG A 16 -16.094 1.497 6.217 1.00 0.00 N ATOM 0 H ARG A 16 -14.786 -4.893 2.874 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.281 -3.948 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -17.485 -2.603 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.264 -4.138 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.911 -3.251 4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.180 -2.082 3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -17.502 -0.909 3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.876 -1.920 4.793 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.476 -0.813 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -18.511 0.541 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.290 2.079 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.209 1.168 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.434 2.432 6.444 1.00 0.00 H new ATOM 217 N TYR A 17 -13.640 -2.484 1.756 1.00 0.00 N ATOM 218 CA TYR A 17 -12.663 -1.436 1.523 1.00 0.00 C ATOM 219 C TYR A 17 -11.320 -2.051 1.146 1.00 0.00 C ATOM 220 O TYR A 17 -10.942 -3.099 1.675 1.00 0.00 O ATOM 221 CB TYR A 17 -12.517 -0.576 2.780 1.00 0.00 C ATOM 222 CG TYR A 17 -12.441 0.907 2.504 1.00 0.00 C ATOM 223 CD1 TYR A 17 -13.399 1.535 1.717 1.00 0.00 C ATOM 224 CD2 TYR A 17 -11.425 1.682 3.041 1.00 0.00 C ATOM 225 CE1 TYR A 17 -13.343 2.893 1.472 1.00 0.00 C ATOM 226 CE2 TYR A 17 -11.365 3.042 2.806 1.00 0.00 C ATOM 227 CZ TYR A 17 -12.325 3.642 2.021 1.00 0.00 C ATOM 228 OH TYR A 17 -12.277 5.000 1.793 1.00 0.00 O ATOM 0 H TYR A 17 -13.363 -3.169 2.459 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.002 -0.806 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.362 -0.769 3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.618 -0.882 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.201 0.951 1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.668 1.215 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.092 3.365 0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.569 3.632 3.236 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.499 5.381 2.251 1.00 0.00 H new ATOM 238 N PHE A 18 -10.617 -1.427 0.212 1.00 0.00 N ATOM 239 CA PHE A 18 -9.329 -1.943 -0.228 1.00 0.00 C ATOM 240 C PHE A 18 -8.426 -0.822 -0.716 1.00 0.00 C ATOM 241 O PHE A 18 -8.835 0.332 -0.790 1.00 0.00 O ATOM 242 CB PHE A 18 -9.507 -3.002 -1.323 1.00 0.00 C ATOM 243 CG PHE A 18 -9.840 -2.463 -2.692 1.00 0.00 C ATOM 244 CD1 PHE A 18 -11.019 -1.761 -2.926 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.974 -2.675 -3.753 1.00 0.00 C ATOM 246 CE1 PHE A 18 -11.318 -1.288 -4.187 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.271 -2.203 -5.015 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.445 -1.510 -5.232 1.00 0.00 C ATOM 0 H PHE A 18 -10.914 -0.569 -0.253 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.852 -2.414 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.589 -3.586 -1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.298 -3.687 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.707 -1.585 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.054 -3.217 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.235 -0.744 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.586 -2.375 -5.832 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.680 -1.142 -6.220 1.00 0.00 H new ATOM 258 N LEU A 19 -7.203 -1.178 -1.061 1.00 0.00 N ATOM 259 CA LEU A 19 -6.226 -0.218 -1.545 1.00 0.00 C ATOM 260 C LEU A 19 -5.802 -0.571 -2.965 1.00 0.00 C ATOM 261 O LEU A 19 -5.612 -1.735 -3.280 1.00 0.00 O ATOM 262 CB LEU A 19 -5.000 -0.221 -0.627 1.00 0.00 C ATOM 263 CG LEU A 19 -5.044 0.763 0.545 1.00 0.00 C ATOM 264 CD1 LEU A 19 -4.107 0.309 1.654 1.00 0.00 C ATOM 265 CD2 LEU A 19 -4.671 2.161 0.079 1.00 0.00 C ATOM 0 H LEU A 19 -6.859 -2.137 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.677 0.774 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.871 -1.227 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.118 -0.001 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.061 0.788 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.150 1.019 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.411 -0.677 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.088 0.259 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.707 2.848 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.663 2.149 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.375 2.489 -0.686 1.00 0.00 H new ATOM 277 N LYS A 20 -5.643 0.430 -3.816 1.00 0.00 N ATOM 278 CA LYS A 20 -5.187 0.205 -5.183 1.00 0.00 C ATOM 279 C LYS A 20 -4.653 1.517 -5.757 1.00 0.00 C ATOM 280 O LYS A 20 -5.174 2.578 -5.412 1.00 0.00 O ATOM 281 CB LYS A 20 -6.336 -0.367 -6.041 1.00 0.00 C ATOM 282 CG LYS A 20 -6.617 0.377 -7.343 1.00 0.00 C ATOM 283 CD LYS A 20 -7.706 1.429 -7.178 1.00 0.00 C ATOM 284 CE LYS A 20 -9.093 0.820 -7.316 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.527 0.712 -8.736 1.00 0.00 N ATOM 0 H LYS A 20 -5.822 1.407 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.380 -0.528 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.106 -1.406 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.246 -0.371 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.702 0.855 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.916 -0.337 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.611 1.903 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.575 2.211 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.099 -0.170 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.810 1.428 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.565 0.741 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.133 1.505 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.186 -0.186 -9.136 1.00 0.00 H new ATOM 299 N ALA A 21 -3.638 1.440 -6.636 1.00 0.00 N ATOM 300 CA ALA A 21 -3.066 2.639 -7.280 1.00 0.00 C ATOM 301 C ALA A 21 -1.794 2.313 -8.054 1.00 0.00 C ATOM 302 O ALA A 21 -1.500 2.952 -9.066 1.00 0.00 O ATOM 303 CB ALA A 21 -2.751 3.727 -6.262 1.00 0.00 C ATOM 0 H ALA A 21 -3.197 0.564 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.825 3.001 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.332 4.593 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.666 4.018 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.030 3.349 -5.537 1.00 0.00 H new ATOM 309 N ILE A 22 -0.968 1.447 -7.472 1.00 0.00 N ATOM 310 CA ILE A 22 0.360 1.149 -8.012 1.00 0.00 C ATOM 311 C ILE A 22 0.301 0.742 -9.485 1.00 0.00 C ATOM 312 O ILE A 22 1.014 1.294 -10.322 1.00 0.00 O ATOM 313 CB ILE A 22 1.043 0.017 -7.205 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.397 0.509 -5.799 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.287 -0.488 -7.924 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.249 -0.459 -5.004 1.00 0.00 C ATOM 0 H ILE A 22 -1.196 0.935 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 22 0.943 2.066 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 22 0.343 -0.814 -7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.924 1.459 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.475 0.702 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.749 -1.282 -7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.009 -0.875 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.995 0.332 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.456 -0.038 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.716 -1.403 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.188 -0.633 -5.529 1.00 0.00 H new ATOM 328 N ASP A 23 -0.538 -0.236 -9.778 1.00 0.00 N ATOM 329 CA ASP A 23 -0.675 -0.776 -11.132 1.00 0.00 C ATOM 330 C ASP A 23 -1.806 -1.783 -11.154 1.00 0.00 C ATOM 331 O ASP A 23 -2.368 -2.101 -12.196 1.00 0.00 O ATOM 332 CB ASP A 23 0.623 -1.464 -11.575 1.00 0.00 C ATOM 333 CG ASP A 23 0.827 -1.451 -13.080 1.00 0.00 C ATOM 334 OD1 ASP A 23 -0.168 -1.471 -13.833 1.00 0.00 O ATOM 335 OD2 ASP A 23 1.996 -1.424 -13.520 1.00 0.00 O ATOM 0 H ASP A 23 -1.145 -0.682 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.887 0.045 -11.817 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.469 -0.971 -11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.616 -2.496 -11.225 1.00 0.00 H new ATOM 340 N GLN A 24 -2.156 -2.248 -9.971 1.00 0.00 N ATOM 341 CA GLN A 24 -3.223 -3.207 -9.811 1.00 0.00 C ATOM 342 C GLN A 24 -3.927 -2.956 -8.492 1.00 0.00 C ATOM 343 O GLN A 24 -3.559 -2.034 -7.754 1.00 0.00 O ATOM 344 CB GLN A 24 -2.668 -4.635 -9.863 1.00 0.00 C ATOM 345 CG GLN A 24 -1.588 -4.917 -8.832 1.00 0.00 C ATOM 346 CD GLN A 24 -0.214 -5.053 -9.461 1.00 0.00 C ATOM 347 OE1 GLN A 24 0.012 -5.907 -10.318 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.714 -4.214 -9.037 1.00 0.00 N ATOM 0 H GLN A 24 -1.708 -1.970 -9.098 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.938 -3.093 -10.626 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.488 -5.338 -9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.263 -4.820 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.571 -4.112 -8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.832 -5.834 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.487 -3.520 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.657 -4.260 -9.422 1.00 0.00 H new ATOM 357 N TYR A 25 -4.895 -3.793 -8.174 1.00 0.00 N ATOM 358 CA TYR A 25 -5.608 -3.679 -6.917 1.00 0.00 C ATOM 359 C TYR A 25 -4.858 -4.433 -5.829 1.00 0.00 C ATOM 360 O TYR A 25 -4.085 -5.346 -6.120 1.00 0.00 O ATOM 361 CB TYR A 25 -7.038 -4.213 -7.051 1.00 0.00 C ATOM 362 CG TYR A 25 -7.657 -3.979 -8.411 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.722 -2.703 -8.962 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.175 -5.037 -9.145 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.287 -2.493 -10.206 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.740 -4.835 -10.389 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.794 -3.564 -10.916 1.00 0.00 C ATOM 368 OH TYR A 25 -9.354 -3.369 -12.160 1.00 0.00 O ATOM 0 H TYR A 25 -5.206 -4.560 -8.770 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.667 -2.625 -6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.036 -5.283 -6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.663 -3.742 -6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.325 -1.864 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.136 -6.036 -8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.332 -1.497 -10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.138 -5.670 -10.946 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.660 -4.228 -12.519 1.00 0.00 H new ATOM 378 N TRP A 26 -5.021 -3.993 -4.595 1.00 0.00 N ATOM 379 CA TRP A 26 -4.324 -4.590 -3.474 1.00 0.00 C ATOM 380 C TRP A 26 -5.292 -4.864 -2.335 1.00 0.00 C ATOM 381 O TRP A 26 -6.498 -4.651 -2.455 1.00 0.00 O ATOM 382 CB TRP A 26 -3.210 -3.666 -2.965 1.00 0.00 C ATOM 383 CG TRP A 26 -2.192 -3.283 -3.994 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.198 -2.168 -4.782 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.005 -4.005 -4.327 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.086 -2.157 -5.587 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.340 -3.273 -5.327 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.437 -5.198 -3.876 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.859 -3.699 -5.886 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.753 -5.618 -4.432 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.392 -4.867 -5.427 1.00 0.00 C ATOM 0 H TRP A 26 -5.635 -3.218 -4.344 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.884 -5.526 -3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.664 -2.758 -2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.701 -4.157 -2.136 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.964 -1.407 -4.773 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.854 -1.434 -6.268 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.921 -5.781 -3.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.351 -3.125 -6.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.200 -6.542 -4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.326 -5.220 -5.839 1.00 0.00 H new ATOM 402 N HIS A 27 -4.724 -5.170 -1.191 1.00 0.00 N ATOM 403 CA HIS A 27 -5.486 -5.335 0.031 1.00 0.00 C ATOM 404 C HIS A 27 -5.036 -4.279 1.031 1.00 0.00 C ATOM 405 O HIS A 27 -3.941 -3.729 0.894 1.00 0.00 O ATOM 406 CB HIS A 27 -5.264 -6.732 0.615 1.00 0.00 C ATOM 407 CG HIS A 27 -6.319 -7.734 0.265 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.996 -8.980 -0.212 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.668 -7.646 0.371 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.132 -9.623 -0.384 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.182 -8.855 -0.042 1.00 0.00 N ATOM 0 H HIS A 27 -3.720 -5.312 -1.079 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.548 -5.219 -0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.300 -7.105 0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.205 -6.651 1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.232 -6.791 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.211 -10.635 -0.752 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.167 -9.117 -0.081 1.00 0.00 H new ATOM 419 N GLU A 28 -5.871 -3.991 2.016 1.00 0.00 N ATOM 420 CA GLU A 28 -5.567 -2.966 3.003 1.00 0.00 C ATOM 421 C GLU A 28 -4.330 -3.329 3.831 1.00 0.00 C ATOM 422 O GLU A 28 -3.581 -2.451 4.256 1.00 0.00 O ATOM 423 CB GLU A 28 -6.773 -2.763 3.920 1.00 0.00 C ATOM 424 CG GLU A 28 -7.574 -1.507 3.611 1.00 0.00 C ATOM 425 CD GLU A 28 -8.720 -1.291 4.582 1.00 0.00 C ATOM 426 OE1 GLU A 28 -9.229 -2.285 5.143 1.00 0.00 O ATOM 427 OE2 GLU A 28 -9.106 -0.123 4.803 1.00 0.00 O ATOM 0 H GLU A 28 -6.769 -4.455 2.154 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.349 -2.039 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.429 -3.630 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.429 -2.718 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.911 -0.642 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.969 -1.573 2.597 1.00 0.00 H new ATOM 434 N ASP A 29 -4.174 -4.611 4.137 1.00 0.00 N ATOM 435 CA ASP A 29 -3.091 -5.059 5.010 1.00 0.00 C ATOM 436 C ASP A 29 -2.105 -5.970 4.284 1.00 0.00 C ATOM 437 O ASP A 29 -1.202 -6.545 4.894 1.00 0.00 O ATOM 438 CB ASP A 29 -3.673 -5.787 6.221 1.00 0.00 C ATOM 439 CG ASP A 29 -2.738 -5.780 7.409 1.00 0.00 C ATOM 440 OD1 ASP A 29 -2.496 -4.696 7.971 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.247 -6.861 7.797 1.00 0.00 O ATOM 0 H ASP A 29 -4.780 -5.358 3.796 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.542 -4.175 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.616 -5.319 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.898 -6.818 5.947 1.00 0.00 H new ATOM 446 N CYS A 30 -2.281 -6.117 2.983 1.00 0.00 N ATOM 447 CA CYS A 30 -1.420 -6.992 2.199 1.00 0.00 C ATOM 448 C CYS A 30 -0.169 -6.268 1.729 1.00 0.00 C ATOM 449 O CYS A 30 0.899 -6.872 1.617 1.00 0.00 O ATOM 450 CB CYS A 30 -2.173 -7.536 0.994 1.00 0.00 C ATOM 451 SG CYS A 30 -2.802 -9.229 1.222 1.00 0.00 S ATOM 0 H CYS A 30 -3.009 -5.645 2.446 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.119 -7.817 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.010 -6.874 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.513 -7.517 0.127 1.00 0.00 H new ATOM 456 N LEU A 31 -0.337 -5.007 1.361 1.00 0.00 N ATOM 457 CA LEU A 31 0.753 -4.211 0.813 1.00 0.00 C ATOM 458 C LEU A 31 1.918 -4.115 1.792 1.00 0.00 C ATOM 459 O LEU A 31 1.917 -3.296 2.710 1.00 0.00 O ATOM 460 CB LEU A 31 0.254 -2.817 0.437 1.00 0.00 C ATOM 461 CG LEU A 31 0.281 -2.509 -1.061 1.00 0.00 C ATOM 462 CD1 LEU A 31 -0.629 -1.339 -1.380 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.701 -2.224 -1.528 1.00 0.00 C ATOM 0 H LEU A 31 -1.224 -4.509 1.432 1.00 0.00 H new ATOM 0 HA LEU A 31 1.115 -4.710 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.768 -2.702 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.862 -2.076 0.957 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.084 -3.386 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.597 -1.134 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.650 -1.582 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.295 -0.458 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.696 -2.008 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.097 -1.365 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.328 -3.095 -1.337 1.00 0.00 H new ATOM 475 N SER A 32 2.889 -4.994 1.602 1.00 0.00 N ATOM 476 CA SER A 32 4.085 -5.050 2.426 1.00 0.00 C ATOM 477 C SER A 32 5.225 -5.603 1.581 1.00 0.00 C ATOM 478 O SER A 32 4.971 -6.264 0.568 1.00 0.00 O ATOM 479 CB SER A 32 3.858 -5.938 3.657 1.00 0.00 C ATOM 480 OG SER A 32 2.479 -6.196 3.873 1.00 0.00 O ATOM 0 H SER A 32 2.868 -5.696 0.863 1.00 0.00 H new ATOM 0 HA SER A 32 4.331 -4.049 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.388 -6.881 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.280 -5.453 4.538 1.00 0.00 H new ATOM 0 HG SER A 32 2.084 -6.568 3.057 1.00 0.00 H new ATOM 486 N CYS A 33 6.467 -5.285 1.935 1.00 0.00 N ATOM 487 CA CYS A 33 7.598 -5.722 1.138 1.00 0.00 C ATOM 488 C CYS A 33 7.789 -7.234 1.206 1.00 0.00 C ATOM 489 O CYS A 33 7.241 -7.906 2.079 1.00 0.00 O ATOM 490 CB CYS A 33 8.893 -5.055 1.568 1.00 0.00 C ATOM 491 SG CYS A 33 8.803 -3.994 3.035 1.00 0.00 S ATOM 0 H CYS A 33 6.709 -4.734 2.758 1.00 0.00 H new ATOM 0 HA CYS A 33 7.366 -5.429 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.633 -5.833 1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.262 -4.456 0.735 1.00 0.00 H new ATOM 496 N ASP A 34 8.634 -7.741 0.326 1.00 0.00 N ATOM 497 CA ASP A 34 8.986 -9.154 0.328 1.00 0.00 C ATOM 498 C ASP A 34 9.976 -9.455 1.443 1.00 0.00 C ATOM 499 O ASP A 34 9.865 -10.466 2.140 1.00 0.00 O ATOM 500 CB ASP A 34 9.601 -9.545 -1.010 1.00 0.00 C ATOM 501 CG ASP A 34 9.660 -11.045 -1.207 1.00 0.00 C ATOM 502 OD1 ASP A 34 8.669 -11.627 -1.695 1.00 0.00 O ATOM 503 OD2 ASP A 34 10.699 -11.655 -0.879 1.00 0.00 O ATOM 0 H ASP A 34 9.092 -7.194 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 34 8.076 -9.731 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.020 -9.099 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.608 -9.133 -1.077 1.00 0.00 H new ATOM 508 N LEU A 35 10.989 -8.608 1.550 1.00 0.00 N ATOM 509 CA LEU A 35 12.059 -8.813 2.517 1.00 0.00 C ATOM 510 C LEU A 35 11.570 -8.593 3.950 1.00 0.00 C ATOM 511 O LEU A 35 11.574 -9.522 4.756 1.00 0.00 O ATOM 512 CB LEU A 35 13.231 -7.878 2.214 1.00 0.00 C ATOM 513 CG LEU A 35 14.519 -8.183 2.978 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.964 -9.617 2.731 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.614 -7.207 2.579 1.00 0.00 C ATOM 0 H LEU A 35 11.093 -7.770 0.978 1.00 0.00 H new ATOM 0 HA LEU A 35 12.391 -9.847 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.442 -7.920 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.927 -6.856 2.439 1.00 0.00 H new ATOM 0 HG LEU A 35 14.323 -8.067 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.883 -9.813 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.185 -10.302 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.143 -9.764 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.525 -7.437 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.806 -7.293 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.297 -6.190 2.810 1.00 0.00 H new ATOM 527 N CYS A 36 11.127 -7.379 4.255 1.00 0.00 N ATOM 528 CA CYS A 36 10.630 -7.068 5.589 1.00 0.00 C ATOM 529 C CYS A 36 9.148 -7.398 5.706 1.00 0.00 C ATOM 530 O CYS A 36 8.754 -8.289 6.464 1.00 0.00 O ATOM 531 CB CYS A 36 10.868 -5.593 5.919 1.00 0.00 C ATOM 532 SG CYS A 36 12.122 -4.790 4.872 1.00 0.00 S ATOM 0 H CYS A 36 11.102 -6.598 3.600 1.00 0.00 H new ATOM 0 HA CYS A 36 11.178 -7.681 6.305 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.927 -5.053 5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.174 -5.510 6.962 1.00 0.00 H new ATOM 537 N GLY A 37 8.339 -6.697 4.929 1.00 0.00 N ATOM 538 CA GLY A 37 6.914 -6.939 4.932 1.00 0.00 C ATOM 539 C GLY A 37 6.249 -6.466 6.205 1.00 0.00 C ATOM 540 O GLY A 37 5.599 -7.247 6.901 1.00 0.00 O ATOM 0 H GLY A 37 8.646 -5.961 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.461 -6.433 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.730 -8.006 4.804 1.00 0.00 H new ATOM 544 N CYS A 38 6.374 -5.180 6.486 1.00 0.00 N ATOM 545 CA CYS A 38 5.741 -4.594 7.652 1.00 0.00 C ATOM 546 C CYS A 38 4.292 -4.231 7.340 1.00 0.00 C ATOM 547 O CYS A 38 3.382 -5.032 7.573 1.00 0.00 O ATOM 548 CB CYS A 38 6.521 -3.359 8.109 1.00 0.00 C ATOM 549 SG CYS A 38 8.209 -3.281 7.465 1.00 0.00 S ATOM 0 H CYS A 38 6.910 -4.522 5.920 1.00 0.00 H new ATOM 0 HA CYS A 38 5.745 -5.324 8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.982 -2.465 7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.557 -3.346 9.198 1.00 0.00 H new ATOM 0 HG CYS A 38 8.791 -2.203 7.901 1.00 0.00 H new ATOM 555 N ARG A 39 4.096 -3.060 6.734 1.00 0.00 N ATOM 556 CA ARG A 39 2.768 -2.603 6.336 1.00 0.00 C ATOM 557 C ARG A 39 2.857 -1.257 5.628 1.00 0.00 C ATOM 558 O ARG A 39 3.162 -0.242 6.254 1.00 0.00 O ATOM 559 CB ARG A 39 1.852 -2.466 7.558 1.00 0.00 C ATOM 560 CG ARG A 39 0.549 -3.242 7.438 1.00 0.00 C ATOM 561 CD ARG A 39 -0.412 -2.588 6.457 1.00 0.00 C ATOM 562 NE ARG A 39 -0.899 -1.292 6.933 1.00 0.00 N ATOM 563 CZ ARG A 39 -2.127 -1.084 7.413 1.00 0.00 C ATOM 564 NH1 ARG A 39 -2.962 -2.102 7.588 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.501 0.139 7.764 1.00 0.00 N ATOM 0 H ARG A 39 4.847 -2.408 6.508 1.00 0.00 H new ATOM 0 HA ARG A 39 2.351 -3.345 5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.388 -2.809 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.623 -1.412 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.762 -4.261 7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.076 -3.312 8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.087 -2.455 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.260 -3.251 6.286 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.260 -0.498 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.666 -3.050 7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.899 -1.936 7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.851 0.919 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.439 0.300 8.131 1.00 0.00 H new ATOM 579 N LEU A 40 2.514 -1.241 4.351 1.00 0.00 N ATOM 580 CA LEU A 40 2.446 -0.006 3.580 1.00 0.00 C ATOM 581 C LEU A 40 1.005 0.228 3.136 1.00 0.00 C ATOM 582 O LEU A 40 0.641 -0.085 2.005 1.00 0.00 O ATOM 583 CB LEU A 40 3.358 -0.071 2.347 1.00 0.00 C ATOM 584 CG LEU A 40 4.646 -0.887 2.502 1.00 0.00 C ATOM 585 CD1 LEU A 40 4.845 -1.804 1.300 1.00 0.00 C ATOM 586 CD2 LEU A 40 5.843 0.039 2.666 1.00 0.00 C ATOM 0 H LEU A 40 2.275 -2.078 3.819 1.00 0.00 H new ATOM 0 HA LEU A 40 2.785 0.816 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.785 -0.488 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.629 0.947 2.067 1.00 0.00 H new ATOM 0 HG LEU A 40 4.559 -1.504 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.764 -2.376 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.000 -2.488 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.913 -1.204 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.750 -0.555 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.931 0.679 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.706 0.658 3.553 1.00 0.00 H new ATOM 598 N GLY A 41 0.160 0.640 4.073 1.00 0.00 N ATOM 599 CA GLY A 41 -1.256 0.754 3.784 1.00 0.00 C ATOM 600 C GLY A 41 -1.829 2.112 4.134 1.00 0.00 C ATOM 601 O GLY A 41 -2.920 2.205 4.697 1.00 0.00 O ATOM 0 H GLY A 41 0.428 0.896 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.421 0.559 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.796 -0.015 4.337 1.00 0.00 H new ATOM 605 N GLU A 42 -1.126 3.165 3.752 1.00 0.00 N ATOM 606 CA GLU A 42 -1.612 4.523 3.961 1.00 0.00 C ATOM 607 C GLU A 42 -2.307 5.031 2.699 1.00 0.00 C ATOM 608 O GLU A 42 -2.722 4.237 1.857 1.00 0.00 O ATOM 609 CB GLU A 42 -0.458 5.449 4.333 1.00 0.00 C ATOM 610 CG GLU A 42 0.734 5.337 3.403 1.00 0.00 C ATOM 611 CD GLU A 42 1.947 4.786 4.106 1.00 0.00 C ATOM 612 OE1 GLU A 42 2.043 3.555 4.259 1.00 0.00 O ATOM 613 OE2 GLU A 42 2.803 5.590 4.526 1.00 0.00 O ATOM 0 H GLU A 42 -0.216 3.108 3.295 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.330 4.514 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.814 6.479 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.137 5.225 5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.478 4.693 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.968 6.319 2.993 1.00 0.00 H new ATOM 620 N VAL A 43 -2.404 6.347 2.544 1.00 0.00 N ATOM 621 CA VAL A 43 -3.011 6.913 1.345 1.00 0.00 C ATOM 622 C VAL A 43 -2.090 7.935 0.689 1.00 0.00 C ATOM 623 O VAL A 43 -2.464 8.587 -0.286 1.00 0.00 O ATOM 624 CB VAL A 43 -4.372 7.579 1.649 1.00 0.00 C ATOM 625 CG1 VAL A 43 -5.493 6.549 1.623 1.00 0.00 C ATOM 626 CG2 VAL A 43 -4.340 8.304 2.989 1.00 0.00 C ATOM 0 H VAL A 43 -2.075 7.033 3.223 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.174 6.082 0.659 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.565 8.317 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.442 7.039 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.540 6.087 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.301 5.783 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.310 8.763 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.115 7.592 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.571 9.076 2.967 1.00 0.00 H new ATOM 636 N GLY A 44 -0.866 8.040 1.193 1.00 0.00 N ATOM 637 CA GLY A 44 0.093 8.950 0.600 1.00 0.00 C ATOM 638 C GLY A 44 1.188 9.358 1.561 1.00 0.00 C ATOM 639 O GLY A 44 1.149 10.454 2.119 1.00 0.00 O ATOM 0 H GLY A 44 -0.523 7.514 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.541 8.479 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.428 9.841 0.250 1.00 0.00 H new ATOM 643 N ARG A 45 2.179 8.500 1.748 1.00 0.00 N ATOM 644 CA ARG A 45 3.292 8.813 2.628 1.00 0.00 C ATOM 645 C ARG A 45 4.507 7.960 2.275 1.00 0.00 C ATOM 646 O ARG A 45 5.261 8.304 1.372 1.00 0.00 O ATOM 647 CB ARG A 45 2.872 8.626 4.089 1.00 0.00 C ATOM 648 CG ARG A 45 3.952 8.944 5.110 1.00 0.00 C ATOM 649 CD ARG A 45 3.737 10.313 5.704 1.00 0.00 C ATOM 650 NE ARG A 45 3.463 11.289 4.662 1.00 0.00 N ATOM 651 CZ ARG A 45 3.663 12.599 4.792 1.00 0.00 C ATOM 652 NH1 ARG A 45 3.962 13.117 5.978 1.00 0.00 N ATOM 653 NH2 ARG A 45 3.532 13.395 3.740 1.00 0.00 N ATOM 0 H ARG A 45 2.235 7.584 1.303 1.00 0.00 H new ATOM 0 HA ARG A 45 3.576 9.857 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.007 9.259 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.551 7.594 4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.944 8.194 5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.932 8.898 4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.906 10.283 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.621 10.613 6.267 1.00 0.00 H new ATOM 0 HE ARG A 45 3.094 10.948 3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.039 12.511 6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.114 14.121 6.072 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.278 13.004 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.685 14.399 3.838 1.00 0.00 H new ATOM 667 N ARG A 46 4.673 6.830 2.938 1.00 0.00 N ATOM 668 CA ARG A 46 5.808 5.964 2.666 1.00 0.00 C ATOM 669 C ARG A 46 5.385 4.760 1.836 1.00 0.00 C ATOM 670 O ARG A 46 5.443 3.623 2.302 1.00 0.00 O ATOM 671 CB ARG A 46 6.466 5.502 3.970 1.00 0.00 C ATOM 672 CG ARG A 46 6.033 6.291 5.194 1.00 0.00 C ATOM 673 CD ARG A 46 5.653 5.369 6.335 1.00 0.00 C ATOM 674 NE ARG A 46 4.676 4.376 5.909 1.00 0.00 N ATOM 675 CZ ARG A 46 4.763 3.078 6.169 1.00 0.00 C ATOM 676 NH1 ARG A 46 5.747 2.608 6.928 1.00 0.00 N ATOM 677 NH2 ARG A 46 3.853 2.257 5.672 1.00 0.00 N ATOM 0 H ARG A 46 4.042 6.491 3.664 1.00 0.00 H new ATOM 0 HA ARG A 46 6.537 6.539 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.234 4.449 4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.548 5.578 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.842 6.950 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.185 6.927 4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.544 4.867 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.244 5.955 7.158 1.00 0.00 H new ATOM 0 HE ARG A 46 3.870 4.701 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.442 3.246 7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.807 1.609 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.095 2.624 5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.909 1.257 5.865 1.00 0.00 H new ATOM 691 N LEU A 47 5.033 5.007 0.582 1.00 0.00 N ATOM 692 CA LEU A 47 4.698 3.930 -0.335 1.00 0.00 C ATOM 693 C LEU A 47 5.673 3.916 -1.501 1.00 0.00 C ATOM 694 O LEU A 47 5.754 4.871 -2.271 1.00 0.00 O ATOM 695 CB LEU A 47 3.259 4.065 -0.851 1.00 0.00 C ATOM 696 CG LEU A 47 2.635 2.780 -1.417 1.00 0.00 C ATOM 697 CD1 LEU A 47 2.874 2.676 -2.914 1.00 0.00 C ATOM 698 CD2 LEU A 47 3.180 1.548 -0.710 1.00 0.00 C ATOM 0 H LEU A 47 4.972 5.942 0.178 1.00 0.00 H new ATOM 0 HA LEU A 47 4.774 2.988 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.631 4.424 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.240 4.830 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 47 1.561 2.829 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.423 1.758 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.425 3.534 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.946 2.661 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.721 0.654 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.260 1.499 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.950 1.607 0.354 1.00 0.00 H new ATOM 710 N TYR A 48 6.417 2.832 -1.616 1.00 0.00 N ATOM 711 CA TYR A 48 7.374 2.662 -2.695 1.00 0.00 C ATOM 712 C TYR A 48 7.295 1.231 -3.198 1.00 0.00 C ATOM 713 O TYR A 48 6.765 0.363 -2.502 1.00 0.00 O ATOM 714 CB TYR A 48 8.803 2.980 -2.220 1.00 0.00 C ATOM 715 CG TYR A 48 8.880 3.964 -1.069 1.00 0.00 C ATOM 716 CD1 TYR A 48 8.935 5.338 -1.295 1.00 0.00 C ATOM 717 CD2 TYR A 48 8.903 3.517 0.247 1.00 0.00 C ATOM 718 CE1 TYR A 48 9.005 6.230 -0.246 1.00 0.00 C ATOM 719 CE2 TYR A 48 8.972 4.408 1.301 1.00 0.00 C ATOM 720 CZ TYR A 48 9.023 5.762 1.048 1.00 0.00 C ATOM 721 OH TYR A 48 9.094 6.654 2.094 1.00 0.00 O ATOM 0 H TYR A 48 6.376 2.046 -0.967 1.00 0.00 H new ATOM 0 HA TYR A 48 7.131 3.354 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.287 2.051 -1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.371 3.379 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.923 5.710 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.866 2.457 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.046 7.292 -0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.986 4.045 2.318 1.00 0.00 H new ATOM 0 HH TYR A 48 9.992 7.046 2.130 1.00 0.00 H new ATOM 731 N TYR A 49 7.800 0.980 -4.395 1.00 0.00 N ATOM 732 CA TYR A 49 7.806 -0.372 -4.938 1.00 0.00 C ATOM 733 C TYR A 49 8.830 -0.490 -6.064 1.00 0.00 C ATOM 734 O TYR A 49 9.077 0.468 -6.798 1.00 0.00 O ATOM 735 CB TYR A 49 6.389 -0.784 -5.390 1.00 0.00 C ATOM 736 CG TYR A 49 6.118 -0.695 -6.880 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.936 0.533 -7.507 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.023 -1.845 -7.654 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.672 0.610 -8.864 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.762 -1.775 -9.009 1.00 0.00 C ATOM 741 CZ TYR A 49 5.588 -0.547 -9.610 1.00 0.00 C ATOM 742 OH TYR A 49 5.322 -0.476 -10.959 1.00 0.00 O ATOM 0 H TYR A 49 8.208 1.687 -5.006 1.00 0.00 H new ATOM 0 HA TYR A 49 8.106 -1.068 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.210 -1.810 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.666 -0.156 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.002 1.441 -6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.155 -2.810 -7.188 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.533 1.571 -9.336 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.695 -2.680 -9.595 1.00 0.00 H new ATOM 0 HH TYR A 49 5.298 -1.380 -11.336 1.00 0.00 H new ATOM 752 N LYS A 50 9.477 -1.644 -6.144 1.00 0.00 N ATOM 753 CA LYS A 50 10.521 -1.869 -7.133 1.00 0.00 C ATOM 754 C LYS A 50 9.923 -2.240 -8.481 1.00 0.00 C ATOM 755 O LYS A 50 8.724 -2.461 -8.586 1.00 0.00 O ATOM 756 CB LYS A 50 11.480 -2.970 -6.668 1.00 0.00 C ATOM 757 CG LYS A 50 12.894 -2.474 -6.390 1.00 0.00 C ATOM 758 CD LYS A 50 13.372 -1.504 -7.460 1.00 0.00 C ATOM 759 CE LYS A 50 14.832 -1.132 -7.272 1.00 0.00 C ATOM 760 NZ LYS A 50 15.303 -0.188 -8.320 1.00 0.00 N ATOM 0 H LYS A 50 9.296 -2.441 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 50 11.079 -0.939 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.081 -3.429 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.521 -3.749 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.923 -1.985 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.574 -3.324 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.235 -1.952 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.761 -0.602 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.968 -0.681 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.443 -2.035 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.304 0.041 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.197 -0.628 -9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.737 0.684 -8.281 1.00 0.00 H new ATOM 774 N LEU A 51 10.779 -2.266 -9.500 1.00 0.00 N ATOM 775 CA LEU A 51 10.397 -2.550 -10.887 1.00 0.00 C ATOM 776 C LEU A 51 9.246 -3.560 -11.021 1.00 0.00 C ATOM 777 O LEU A 51 8.313 -3.332 -11.792 1.00 0.00 O ATOM 778 CB LEU A 51 11.622 -3.035 -11.676 1.00 0.00 C ATOM 779 CG LEU A 51 12.157 -4.424 -11.305 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.070 -4.948 -12.399 1.00 0.00 C ATOM 781 CD2 LEU A 51 12.892 -4.386 -9.974 1.00 0.00 C ATOM 0 H LEU A 51 11.777 -2.087 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 51 10.025 -1.613 -11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.369 -3.037 -12.736 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.425 -2.311 -11.542 1.00 0.00 H new ATOM 0 HG LEU A 51 11.308 -5.100 -11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.442 -5.934 -12.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.514 -5.020 -13.334 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.911 -4.267 -12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.261 -5.383 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.732 -3.694 -10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.210 -4.053 -9.191 1.00 0.00 H new ATOM 793 N GLY A 52 9.313 -4.675 -10.300 1.00 0.00 N ATOM 794 CA GLY A 52 8.272 -5.676 -10.417 1.00 0.00 C ATOM 795 C GLY A 52 7.943 -6.363 -9.107 1.00 0.00 C ATOM 796 O GLY A 52 7.340 -7.438 -9.106 1.00 0.00 O ATOM 0 H GLY A 52 10.061 -4.901 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.370 -5.206 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.581 -6.427 -11.144 1.00 0.00 H new ATOM 800 N ARG A 53 8.281 -5.736 -7.988 1.00 0.00 N ATOM 801 CA ARG A 53 7.968 -6.315 -6.685 1.00 0.00 C ATOM 802 C ARG A 53 7.741 -5.237 -5.638 1.00 0.00 C ATOM 803 O ARG A 53 8.333 -4.159 -5.702 1.00 0.00 O ATOM 804 CB ARG A 53 9.084 -7.262 -6.226 1.00 0.00 C ATOM 805 CG ARG A 53 10.413 -6.574 -5.954 1.00 0.00 C ATOM 806 CD ARG A 53 11.037 -7.059 -4.661 1.00 0.00 C ATOM 807 NE ARG A 53 12.000 -8.108 -4.927 1.00 0.00 N ATOM 808 CZ ARG A 53 12.506 -8.924 -4.001 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.252 -8.715 -2.716 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.293 -9.929 -4.360 1.00 0.00 N ATOM 0 H ARG A 53 8.765 -4.839 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 53 7.045 -6.884 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.761 -7.774 -5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.233 -8.027 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.097 -6.762 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.262 -5.496 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.526 -6.228 -4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.261 -7.430 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 53 12.313 -8.231 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.668 -7.928 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.641 -9.341 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.512 -10.079 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.679 -10.552 -3.651 1.00 0.00 H new ATOM 824 N LYS A 54 6.913 -5.552 -4.654 1.00 0.00 N ATOM 825 CA LYS A 54 6.639 -4.628 -3.563 1.00 0.00 C ATOM 826 C LYS A 54 7.757 -4.686 -2.528 1.00 0.00 C ATOM 827 O LYS A 54 8.111 -5.765 -2.043 1.00 0.00 O ATOM 828 CB LYS A 54 5.294 -4.941 -2.890 1.00 0.00 C ATOM 829 CG LYS A 54 4.453 -5.980 -3.620 1.00 0.00 C ATOM 830 CD LYS A 54 3.894 -7.016 -2.657 1.00 0.00 C ATOM 831 CE LYS A 54 3.458 -8.281 -3.382 1.00 0.00 C ATOM 832 NZ LYS A 54 4.505 -9.337 -3.348 1.00 0.00 N ATOM 0 H LYS A 54 6.418 -6.442 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 54 6.586 -3.624 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.482 -5.291 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.719 -4.019 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.633 -5.486 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.060 -6.475 -4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.650 -7.266 -1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.045 -6.593 -2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.544 -8.663 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.221 -8.040 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.165 -10.180 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.369 -8.984 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.714 -9.587 -2.360 1.00 0.00 H new ATOM 846 N LEU A 55 8.310 -3.525 -2.203 1.00 0.00 N ATOM 847 CA LEU A 55 9.373 -3.418 -1.214 1.00 0.00 C ATOM 848 C LEU A 55 9.454 -1.978 -0.712 1.00 0.00 C ATOM 849 O LEU A 55 8.966 -1.071 -1.384 1.00 0.00 O ATOM 850 CB LEU A 55 10.705 -3.898 -1.818 1.00 0.00 C ATOM 851 CG LEU A 55 11.728 -2.822 -2.197 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.055 -3.475 -2.552 1.00 0.00 C ATOM 853 CD2 LEU A 55 11.232 -1.979 -3.361 1.00 0.00 C ATOM 0 H LEU A 55 8.035 -2.634 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 55 9.157 -4.059 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.175 -4.575 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.481 -4.481 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 55 11.866 -2.164 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.779 -2.706 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.425 -4.037 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.914 -4.151 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.979 -1.224 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.063 -2.619 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.299 -1.489 -3.084 1.00 0.00 H new ATOM 865 N CYS A 56 10.038 -1.756 0.461 1.00 0.00 N ATOM 866 CA CYS A 56 10.134 -0.399 0.982 1.00 0.00 C ATOM 867 C CYS A 56 11.388 0.283 0.478 1.00 0.00 C ATOM 868 O CYS A 56 12.230 -0.329 -0.169 1.00 0.00 O ATOM 869 CB CYS A 56 10.106 -0.356 2.512 1.00 0.00 C ATOM 870 SG CYS A 56 11.489 -1.210 3.340 1.00 0.00 S ATOM 0 H CYS A 56 10.443 -2.479 1.056 1.00 0.00 H new ATOM 0 HA CYS A 56 9.256 0.135 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.102 0.687 2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.170 -0.798 2.855 1.00 0.00 H new ATOM 875 N ARG A 57 11.546 1.528 0.876 1.00 0.00 N ATOM 876 CA ARG A 57 12.726 2.296 0.510 1.00 0.00 C ATOM 877 C ARG A 57 13.870 2.003 1.470 1.00 0.00 C ATOM 878 O ARG A 57 15.008 2.404 1.235 1.00 0.00 O ATOM 879 CB ARG A 57 12.413 3.797 0.501 1.00 0.00 C ATOM 880 CG ARG A 57 13.395 4.624 -0.315 1.00 0.00 C ATOM 881 CD ARG A 57 13.089 4.569 -1.805 1.00 0.00 C ATOM 882 NE ARG A 57 13.797 5.621 -2.538 1.00 0.00 N ATOM 883 CZ ARG A 57 13.416 6.103 -3.719 1.00 0.00 C ATOM 884 NH1 ARG A 57 12.441 5.517 -4.406 1.00 0.00 N ATOM 885 NH2 ARG A 57 14.056 7.143 -4.237 1.00 0.00 N ATOM 0 H ARG A 57 10.874 2.033 1.453 1.00 0.00 H new ATOM 0 HA ARG A 57 13.028 2.000 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.409 3.947 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.408 4.164 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.365 5.660 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.408 4.261 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.374 3.594 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.015 4.675 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 57 14.639 6.011 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.977 4.690 -4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.156 5.894 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.834 7.567 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.771 7.519 -5.141 1.00 0.00 H new ATOM 899 N ARG A 58 13.584 1.240 2.516 1.00 0.00 N ATOM 900 CA ARG A 58 14.619 0.852 3.461 1.00 0.00 C ATOM 901 C ARG A 58 15.256 -0.455 3.025 1.00 0.00 C ATOM 902 O ARG A 58 16.472 -0.541 2.884 1.00 0.00 O ATOM 903 CB ARG A 58 14.066 0.717 4.885 1.00 0.00 C ATOM 904 CG ARG A 58 12.725 1.396 5.102 1.00 0.00 C ATOM 905 CD ARG A 58 12.884 2.878 5.402 1.00 0.00 C ATOM 906 NE ARG A 58 11.636 3.604 5.180 1.00 0.00 N ATOM 907 CZ ARG A 58 11.548 4.766 4.543 1.00 0.00 C ATOM 908 NH1 ARG A 58 12.646 5.384 4.106 1.00 0.00 N ATOM 909 NH2 ARG A 58 10.356 5.315 4.355 1.00 0.00 N ATOM 0 H ARG A 58 12.653 0.881 2.730 1.00 0.00 H new ATOM 0 HA ARG A 58 15.372 1.640 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.967 -0.342 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.790 1.136 5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.106 1.269 4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.202 0.912 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.204 3.009 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.667 3.297 4.770 1.00 0.00 H new ATOM 0 HE ARG A 58 10.775 3.191 5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.563 4.964 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.569 6.276 3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.518 4.845 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.277 6.207 3.867 1.00 0.00 H new ATOM 923 N ASP A 59 14.431 -1.454 2.750 1.00 0.00 N ATOM 924 CA ASP A 59 14.939 -2.748 2.314 1.00 0.00 C ATOM 925 C ASP A 59 15.390 -2.699 0.858 1.00 0.00 C ATOM 926 O ASP A 59 16.270 -3.458 0.453 1.00 0.00 O ATOM 927 CB ASP A 59 13.920 -3.869 2.590 1.00 0.00 C ATOM 928 CG ASP A 59 12.979 -4.207 1.445 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.457 -4.742 0.415 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.744 -4.002 1.579 1.00 0.00 O ATOM 0 H ASP A 59 13.415 -1.396 2.820 1.00 0.00 H new ATOM 0 HA ASP A 59 15.824 -2.986 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.467 -4.771 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.321 -3.584 3.455 1.00 0.00 H new ATOM 935 N TYR A 60 14.972 -1.654 0.151 1.00 0.00 N ATOM 936 CA TYR A 60 15.514 -1.372 -1.174 1.00 0.00 C ATOM 937 C TYR A 60 16.926 -0.814 -1.033 1.00 0.00 C ATOM 938 O TYR A 60 17.836 -1.200 -1.764 1.00 0.00 O ATOM 939 CB TYR A 60 14.604 -0.390 -1.937 1.00 0.00 C ATOM 940 CG TYR A 60 15.326 0.721 -2.674 1.00 0.00 C ATOM 941 CD1 TYR A 60 15.797 0.535 -3.969 1.00 0.00 C ATOM 942 CD2 TYR A 60 15.518 1.963 -2.081 1.00 0.00 C ATOM 943 CE1 TYR A 60 16.443 1.553 -4.646 1.00 0.00 C ATOM 944 CE2 TYR A 60 16.156 2.986 -2.754 1.00 0.00 C ATOM 945 CZ TYR A 60 16.618 2.776 -4.033 1.00 0.00 C ATOM 946 OH TYR A 60 17.252 3.799 -4.705 1.00 0.00 O ATOM 0 H TYR A 60 14.265 -0.992 0.470 1.00 0.00 H new ATOM 0 HA TYR A 60 15.555 -2.296 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.010 -0.954 -2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.907 0.059 -1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.656 -0.420 -4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.162 2.131 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.809 1.391 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 60 16.292 3.946 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 60 17.292 4.592 -4.131 1.00 0.00 H new ATOM 956 N LEU A 61 17.107 0.043 -0.033 1.00 0.00 N ATOM 957 CA LEU A 61 18.404 0.644 0.255 1.00 0.00 C ATOM 958 C LEU A 61 19.346 -0.377 0.878 1.00 0.00 C ATOM 959 O LEU A 61 20.568 -0.209 0.858 1.00 0.00 O ATOM 960 CB LEU A 61 18.211 1.830 1.203 1.00 0.00 C ATOM 961 CG LEU A 61 18.768 3.174 0.721 1.00 0.00 C ATOM 962 CD1 LEU A 61 18.925 3.193 -0.788 1.00 0.00 C ATOM 963 CD2 LEU A 61 17.862 4.304 1.176 1.00 0.00 C ATOM 0 H LEU A 61 16.362 0.339 0.598 1.00 0.00 H new ATOM 0 HA LEU A 61 18.849 0.990 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.144 1.948 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.679 1.587 2.157 1.00 0.00 H new ATOM 0 HG LEU A 61 19.756 3.313 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.322 4.159 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 61 19.612 2.403 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.954 3.031 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.265 5.256 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.864 4.160 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.805 4.309 2.265 1.00 0.00 H new ATOM 975 N ARG A 62 18.763 -1.436 1.423 1.00 0.00 N ATOM 976 CA ARG A 62 19.521 -2.496 2.073 1.00 0.00 C ATOM 977 C ARG A 62 20.379 -3.258 1.067 1.00 0.00 C ATOM 978 O ARG A 62 21.436 -3.782 1.413 1.00 0.00 O ATOM 979 CB ARG A 62 18.569 -3.464 2.778 1.00 0.00 C ATOM 980 CG ARG A 62 18.713 -3.473 4.290 1.00 0.00 C ATOM 981 CD ARG A 62 17.836 -2.417 4.944 1.00 0.00 C ATOM 982 NE ARG A 62 18.449 -1.894 6.162 1.00 0.00 N ATOM 983 CZ ARG A 62 17.826 -1.807 7.337 1.00 0.00 C ATOM 984 NH1 ARG A 62 16.529 -2.071 7.435 1.00 0.00 N ATOM 985 NH2 ARG A 62 18.500 -1.431 8.417 1.00 0.00 N ATOM 0 H ARG A 62 17.754 -1.584 1.427 1.00 0.00 H new ATOM 0 HA ARG A 62 20.182 -2.036 2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.543 -3.201 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.744 -4.471 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.446 -4.457 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.755 -3.298 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.663 -1.601 4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.862 -2.846 5.180 1.00 0.00 H new ATOM 0 HE ARG A 62 19.416 -1.575 6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.000 -2.343 6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.061 -2.002 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.493 -1.209 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.025 -1.364 9.317 1.00 0.00 H new ATOM 999 N LEU A 63 19.908 -3.341 -0.171 1.00 0.00 N ATOM 1000 CA LEU A 63 20.629 -4.077 -1.203 1.00 0.00 C ATOM 1001 C LEU A 63 20.976 -3.184 -2.388 1.00 0.00 C ATOM 1002 O LEU A 63 22.117 -3.167 -2.846 1.00 0.00 O ATOM 1003 CB LEU A 63 19.819 -5.288 -1.681 1.00 0.00 C ATOM 1004 CG LEU A 63 18.322 -5.242 -1.379 1.00 0.00 C ATOM 1005 CD1 LEU A 63 17.517 -5.466 -2.648 1.00 0.00 C ATOM 1006 CD2 LEU A 63 17.965 -6.281 -0.327 1.00 0.00 C ATOM 0 H LEU A 63 19.037 -2.912 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 63 21.559 -4.429 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 63 19.951 -5.389 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 63 20.236 -6.185 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 63 18.075 -4.255 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.453 -5.430 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 63 17.756 -4.688 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 63 17.764 -6.441 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.896 -6.238 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 63 18.224 -7.274 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 63 18.519 -6.077 0.589 1.00 0.00 H new ATOM 1018 N GLY A 64 19.996 -2.435 -2.870 1.00 0.00 N ATOM 1019 CA GLY A 64 20.220 -1.562 -4.006 1.00 0.00 C ATOM 1020 C GLY A 64 20.595 -0.157 -3.592 1.00 0.00 C ATOM 1021 O GLY A 64 20.486 0.780 -4.380 1.00 0.00 O ATOM 0 H GLY A 64 19.048 -2.415 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.012 -1.977 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.318 -1.529 -4.618 1.00 0.00 H new ATOM 1025 N GLY A 65 21.068 -0.015 -2.363 1.00 0.00 N ATOM 1026 CA GLY A 65 21.499 1.278 -1.877 1.00 0.00 C ATOM 1027 C GLY A 65 22.941 1.255 -1.425 1.00 0.00 C ATOM 1028 O GLY A 65 23.852 1.449 -2.230 1.00 0.00 O ATOM 0 H GLY A 65 21.161 -0.777 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.377 2.022 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 65 20.863 1.585 -1.047 1.00 0.00 H new ATOM 1032 N SER A 66 23.156 0.934 -0.159 1.00 0.00 N ATOM 1033 CA SER A 66 24.504 0.803 0.365 1.00 0.00 C ATOM 1034 C SER A 66 24.993 -0.638 0.206 1.00 0.00 C ATOM 1035 O SER A 66 25.002 -1.180 -0.902 1.00 0.00 O ATOM 1036 CB SER A 66 24.538 1.240 1.832 1.00 0.00 C ATOM 1037 OG SER A 66 23.410 2.044 2.147 1.00 0.00 O ATOM 0 H SER A 66 22.417 0.760 0.522 1.00 0.00 H new ATOM 0 HA SER A 66 25.175 1.451 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.555 0.362 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.454 1.798 2.028 1.00 0.00 H new ATOM 0 HG SER A 66 23.451 2.310 3.089 1.00 0.00 H new ATOM 1043 N GLY A 67 25.340 -1.280 1.314 1.00 0.00 N ATOM 1044 CA GLY A 67 25.783 -2.656 1.255 1.00 0.00 C ATOM 1045 C GLY A 67 24.958 -3.564 2.139 1.00 0.00 C ATOM 1046 O GLY A 67 24.421 -4.570 1.680 1.00 0.00 O ATOM 0 H GLY A 67 25.322 -0.873 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 67 25.729 -3.009 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 67 26.829 -2.712 1.557 1.00 0.00 H new ATOM 1050 N GLY A 68 24.869 -3.214 3.412 1.00 0.00 N ATOM 1051 CA GLY A 68 24.117 -4.020 4.350 1.00 0.00 C ATOM 1052 C GLY A 68 23.497 -3.195 5.457 1.00 0.00 C ATOM 1053 O GLY A 68 22.755 -3.723 6.287 1.00 0.00 O ATOM 0 H GLY A 68 25.305 -2.384 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 68 23.331 -4.555 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 68 24.774 -4.772 4.786 1.00 0.00 H new ATOM 1057 N HIS A 69 23.825 -1.908 5.491 1.00 0.00 N ATOM 1058 CA HIS A 69 23.320 -1.017 6.527 1.00 0.00 C ATOM 1059 C HIS A 69 21.887 -0.579 6.235 1.00 0.00 C ATOM 1060 O HIS A 69 21.072 -1.354 5.735 1.00 0.00 O ATOM 1061 CB HIS A 69 24.213 0.217 6.661 1.00 0.00 C ATOM 1062 CG HIS A 69 24.398 0.670 8.074 1.00 0.00 C ATOM 1063 ND1 HIS A 69 23.995 1.917 8.481 1.00 0.00 N ATOM 1064 CD2 HIS A 69 24.930 0.009 9.129 1.00 0.00 C ATOM 1065 CE1 HIS A 69 24.287 1.989 9.767 1.00 0.00 C ATOM 1066 NE2 HIS A 69 24.856 0.858 10.204 1.00 0.00 N ATOM 0 H HIS A 69 24.439 -1.459 4.812 1.00 0.00 H new ATOM 0 HA HIS A 69 23.329 -1.572 7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 69 25.189 -0.002 6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 69 23.782 1.032 6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 69 25.334 -0.992 9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 69 24.092 2.851 10.388 1.00 0.00 H new ATOM 0 HE2 HIS A 69 25.173 0.665 11.154 1.00 0.00 H new ATOM 1074 N MET A 70 21.574 0.650 6.609 1.00 0.00 N ATOM 1075 CA MET A 70 20.225 1.174 6.460 1.00 0.00 C ATOM 1076 C MET A 70 20.025 1.795 5.085 1.00 0.00 C ATOM 1077 O MET A 70 19.183 1.345 4.307 1.00 0.00 O ATOM 1078 CB MET A 70 19.939 2.218 7.541 1.00 0.00 C ATOM 1079 CG MET A 70 19.797 1.635 8.936 1.00 0.00 C ATOM 1080 SD MET A 70 18.221 2.061 9.703 1.00 0.00 S ATOM 1081 CE MET A 70 18.650 3.596 10.520 1.00 0.00 C ATOM 0 H MET A 70 22.238 1.307 7.020 1.00 0.00 H new ATOM 0 HA MET A 70 19.530 0.341 6.568 1.00 0.00 H new ATOM 0 HB2 MET A 70 20.744 2.953 7.545 1.00 0.00 H new ATOM 0 HB3 MET A 70 19.023 2.750 7.285 1.00 0.00 H new ATOM 0 HG2 MET A 70 19.891 0.550 8.885 1.00 0.00 H new ATOM 0 HG3 MET A 70 20.612 1.997 9.563 1.00 0.00 H new ATOM 0 HE1 MET A 70 17.861 3.867 11.222 1.00 0.00 H new ATOM 0 HE2 MET A 70 19.589 3.471 11.059 1.00 0.00 H new ATOM 0 HE3 MET A 70 18.761 4.385 9.776 1.00 0.00 H new ATOM 1091 N GLY A 71 20.727 2.889 4.838 1.00 0.00 N ATOM 1092 CA GLY A 71 20.539 3.636 3.611 1.00 0.00 C ATOM 1093 C GLY A 71 19.935 4.995 3.891 1.00 0.00 C ATOM 1094 O GLY A 71 20.357 6.008 3.329 1.00 0.00 O ATOM 0 H GLY A 71 21.428 3.276 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 71 21.496 3.757 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 71 19.890 3.077 2.937 1.00 0.00 H new ATOM 1098 N SER A 72 18.996 5.023 4.826 1.00 0.00 N ATOM 1099 CA SER A 72 18.396 6.269 5.268 1.00 0.00 C ATOM 1100 C SER A 72 19.415 7.075 6.066 1.00 0.00 C ATOM 1101 O SER A 72 19.787 6.694 7.176 1.00 0.00 O ATOM 1102 CB SER A 72 17.152 5.986 6.117 1.00 0.00 C ATOM 1103 OG SER A 72 16.179 5.260 5.379 1.00 0.00 O ATOM 0 H SER A 72 18.633 4.192 5.294 1.00 0.00 H new ATOM 0 HA SER A 72 18.092 6.849 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.436 5.420 7.004 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.723 6.927 6.462 1.00 0.00 H new ATOM 0 HG SER A 72 16.015 5.709 4.524 1.00 0.00 H new ATOM 1109 N GLY A 73 19.955 8.110 5.440 1.00 0.00 N ATOM 1110 CA GLY A 73 21.014 8.874 6.063 1.00 0.00 C ATOM 1111 C GLY A 73 20.488 9.996 6.927 1.00 0.00 C ATOM 1112 O GLY A 73 19.643 10.778 6.489 1.00 0.00 O ATOM 0 H GLY A 73 19.679 8.434 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 73 21.628 8.209 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 73 21.662 9.288 5.290 1.00 0.00 H new ATOM 1116 N GLY A 74 20.960 10.054 8.161 1.00 0.00 N ATOM 1117 CA GLY A 74 20.503 11.068 9.086 1.00 0.00 C ATOM 1118 C GLY A 74 19.453 10.522 10.024 1.00 0.00 C ATOM 1119 O GLY A 74 19.752 10.176 11.170 1.00 0.00 O ATOM 0 H GLY A 74 21.656 9.412 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.348 11.445 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.094 11.912 8.531 1.00 0.00 H new ATOM 1123 N ASP A 75 18.254 10.324 9.504 1.00 0.00 N ATOM 1124 CA ASP A 75 17.195 9.675 10.261 1.00 0.00 C ATOM 1125 C ASP A 75 16.305 8.875 9.329 1.00 0.00 C ATOM 1126 O ASP A 75 16.251 9.151 8.128 1.00 0.00 O ATOM 1127 CB ASP A 75 16.359 10.701 11.033 1.00 0.00 C ATOM 1128 CG ASP A 75 15.703 10.099 12.262 1.00 0.00 C ATOM 1129 OD1 ASP A 75 16.056 8.956 12.631 1.00 0.00 O ATOM 1130 OD2 ASP A 75 14.834 10.767 12.864 1.00 0.00 O ATOM 0 H ASP A 75 17.988 10.603 8.560 1.00 0.00 H new ATOM 0 HA ASP A 75 17.658 9.002 10.983 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.996 11.533 11.334 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.591 11.109 10.376 1.00 0.00 H new ATOM 1135 N VAL A 76 15.564 7.934 9.886 1.00 0.00 N ATOM 1136 CA VAL A 76 14.604 7.171 9.105 1.00 0.00 C ATOM 1137 C VAL A 76 13.297 7.939 9.023 1.00 0.00 C ATOM 1138 O VAL A 76 12.997 8.750 9.898 1.00 0.00 O ATOM 1139 CB VAL A 76 14.331 5.769 9.701 1.00 0.00 C ATOM 1140 CG1 VAL A 76 14.255 4.725 8.597 1.00 0.00 C ATOM 1141 CG2 VAL A 76 15.392 5.390 10.722 1.00 0.00 C ATOM 0 H VAL A 76 15.607 7.680 10.873 1.00 0.00 H new ATOM 0 HA VAL A 76 15.034 7.029 8.114 1.00 0.00 H new ATOM 0 HB VAL A 76 13.370 5.804 10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.063 3.746 9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.448 4.980 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.200 4.700 8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.174 4.400 11.123 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.371 5.379 10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.393 6.118 11.533 1.00 0.00 H new ATOM 1151 N MET A 77 12.571 7.760 7.932 1.00 0.00 N ATOM 1152 CA MET A 77 11.338 8.500 7.723 1.00 0.00 C ATOM 1153 C MET A 77 10.277 8.073 8.727 1.00 0.00 C ATOM 1154 O MET A 77 9.621 7.046 8.555 1.00 0.00 O ATOM 1155 CB MET A 77 10.829 8.287 6.299 1.00 0.00 C ATOM 1156 CG MET A 77 11.875 8.583 5.242 1.00 0.00 C ATOM 1157 SD MET A 77 11.274 8.307 3.565 1.00 0.00 S ATOM 1158 CE MET A 77 10.723 9.955 3.123 1.00 0.00 C ATOM 0 H MET A 77 12.812 7.113 7.181 1.00 0.00 H new ATOM 0 HA MET A 77 11.546 9.560 7.870 1.00 0.00 H new ATOM 0 HB2 MET A 77 10.493 7.256 6.190 1.00 0.00 H new ATOM 0 HB3 MET A 77 9.961 8.924 6.131 1.00 0.00 H new ATOM 0 HG2 MET A 77 12.201 9.619 5.340 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.749 7.956 5.417 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.609 10.023 2.041 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.765 10.159 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.459 10.686 3.457 1.00 0.00 H new ATOM 1168 N VAL A 78 10.143 8.850 9.790 1.00 0.00 N ATOM 1169 CA VAL A 78 9.183 8.548 10.839 1.00 0.00 C ATOM 1170 C VAL A 78 8.228 9.721 11.038 1.00 0.00 C ATOM 1171 O VAL A 78 7.118 9.564 11.554 1.00 0.00 O ATOM 1172 CB VAL A 78 9.896 8.190 12.167 1.00 0.00 C ATOM 1173 CG1 VAL A 78 10.231 9.436 12.978 1.00 0.00 C ATOM 1174 CG2 VAL A 78 9.053 7.224 12.982 1.00 0.00 C ATOM 0 H VAL A 78 10.689 9.697 9.949 1.00 0.00 H new ATOM 0 HA VAL A 78 8.605 7.677 10.528 1.00 0.00 H new ATOM 0 HB VAL A 78 10.838 7.701 11.917 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.730 9.145 13.902 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.890 10.082 12.397 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.313 9.974 13.215 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.570 6.984 13.911 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.091 7.684 13.210 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.892 6.310 12.410 1.00 0.00 H new ATOM 1184 N VAL A 79 8.637 10.880 10.542 1.00 0.00 N ATOM 1185 CA VAL A 79 7.829 12.078 10.604 1.00 0.00 C ATOM 1186 C VAL A 79 7.216 12.377 9.240 1.00 0.00 C ATOM 1187 O VAL A 79 6.752 13.488 8.979 1.00 0.00 O ATOM 1188 CB VAL A 79 8.675 13.283 11.049 1.00 0.00 C ATOM 1189 CG1 VAL A 79 8.722 13.379 12.565 1.00 0.00 C ATOM 1190 CG2 VAL A 79 10.079 13.205 10.464 1.00 0.00 C ATOM 0 H VAL A 79 9.540 11.011 10.086 1.00 0.00 H new ATOM 0 HA VAL A 79 7.035 11.908 11.332 1.00 0.00 H new ATOM 0 HB VAL A 79 8.202 14.188 10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.326 14.238 12.857 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.711 13.497 12.954 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.163 12.470 12.974 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.659 14.068 10.793 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.565 12.291 10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.020 13.201 9.376 1.00 0.00 H new ATOM 1200 N GLY A 80 7.275 11.393 8.354 1.00 0.00 N ATOM 1201 CA GLY A 80 6.755 11.555 7.014 1.00 0.00 C ATOM 1202 C GLY A 80 7.756 12.206 6.083 1.00 0.00 C ATOM 1203 O GLY A 80 8.128 11.631 5.060 1.00 0.00 O ATOM 0 H GLY A 80 7.679 10.476 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.473 10.580 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.849 12.159 7.049 1.00 0.00 H new ATOM 1207 N GLU A 81 8.204 13.396 6.449 1.00 0.00 N ATOM 1208 CA GLU A 81 9.145 14.145 5.626 1.00 0.00 C ATOM 1209 C GLU A 81 10.344 14.620 6.446 1.00 0.00 C ATOM 1210 O GLU A 81 10.342 15.724 6.993 1.00 0.00 O ATOM 1211 CB GLU A 81 8.448 15.341 4.967 1.00 0.00 C ATOM 1212 CG GLU A 81 7.325 15.932 5.803 1.00 0.00 C ATOM 1213 CD GLU A 81 5.956 15.678 5.205 1.00 0.00 C ATOM 1214 OE1 GLU A 81 5.848 15.586 3.964 1.00 0.00 O ATOM 1215 OE2 GLU A 81 4.976 15.573 5.975 1.00 0.00 O ATOM 0 H GLU A 81 7.932 13.866 7.312 1.00 0.00 H new ATOM 0 HA GLU A 81 9.511 13.476 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.188 16.117 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.046 15.030 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.363 15.509 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.479 17.006 5.904 1.00 0.00 H new ATOM 1222 N PRO A 82 11.383 13.782 6.554 1.00 0.00 N ATOM 1223 CA PRO A 82 12.600 14.109 7.274 1.00 0.00 C ATOM 1224 C PRO A 82 13.681 14.645 6.336 1.00 0.00 C ATOM 1225 O PRO A 82 13.398 14.998 5.188 1.00 0.00 O ATOM 1226 CB PRO A 82 13.001 12.748 7.835 1.00 0.00 C ATOM 1227 CG PRO A 82 12.544 11.759 6.805 1.00 0.00 C ATOM 1228 CD PRO A 82 11.465 12.432 5.982 1.00 0.00 C ATOM 0 HA PRO A 82 12.467 14.886 8.026 1.00 0.00 H new ATOM 0 HB2 PRO A 82 14.078 12.687 7.992 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.527 12.562 8.799 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.376 11.452 6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.158 10.858 7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.727 12.460 4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.514 11.905 6.061 1.00 0.00 H new ATOM 1236 N THR A 83 14.924 14.619 6.787 1.00 0.00 N ATOM 1237 CA THR A 83 16.041 15.001 5.948 1.00 0.00 C ATOM 1238 C THR A 83 16.807 13.766 5.497 1.00 0.00 C ATOM 1239 O THR A 83 16.925 12.794 6.243 1.00 0.00 O ATOM 1240 CB THR A 83 16.988 15.964 6.682 1.00 0.00 C ATOM 1241 OG1 THR A 83 16.738 15.925 8.096 1.00 0.00 O ATOM 1242 CG2 THR A 83 16.793 17.378 6.175 1.00 0.00 C ATOM 0 H THR A 83 15.183 14.336 7.732 1.00 0.00 H new ATOM 0 HA THR A 83 15.641 15.516 5.075 1.00 0.00 H new ATOM 0 HB THR A 83 18.014 15.651 6.490 1.00 0.00 H new ATOM 0 HG1 THR A 83 17.348 16.541 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 83 17.469 18.050 6.703 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.006 17.414 5.107 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.763 17.689 6.350 1.00 0.00 H new ATOM 1250 N LEU A 84 17.242 13.771 4.249 1.00 0.00 N ATOM 1251 CA LEU A 84 17.904 12.616 3.674 1.00 0.00 C ATOM 1252 C LEU A 84 19.375 12.916 3.417 1.00 0.00 C ATOM 1253 O LEU A 84 19.720 13.629 2.475 1.00 0.00 O ATOM 1254 CB LEU A 84 17.207 12.185 2.377 1.00 0.00 C ATOM 1255 CG LEU A 84 16.051 13.079 1.920 1.00 0.00 C ATOM 1256 CD1 LEU A 84 15.875 12.984 0.416 1.00 0.00 C ATOM 1257 CD2 LEU A 84 14.757 12.703 2.625 1.00 0.00 C ATOM 0 H LEU A 84 17.148 14.564 3.615 1.00 0.00 H new ATOM 0 HA LEU A 84 17.841 11.794 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.951 12.147 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.829 11.171 2.508 1.00 0.00 H new ATOM 0 HG LEU A 84 16.295 14.108 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.050 13.625 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.791 13.307 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.657 11.952 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.953 13.354 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.507 11.667 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.882 12.819 3.702 1.00 0.00 H new ATOM 1269 N MET A 85 20.232 12.412 4.297 1.00 0.00 N ATOM 1270 CA MET A 85 21.670 12.652 4.196 1.00 0.00 C ATOM 1271 C MET A 85 22.374 11.451 3.564 1.00 0.00 C ATOM 1272 O MET A 85 23.602 11.390 3.494 1.00 0.00 O ATOM 1273 CB MET A 85 22.263 12.942 5.578 1.00 0.00 C ATOM 1274 CG MET A 85 23.518 13.797 5.537 1.00 0.00 C ATOM 1275 SD MET A 85 24.898 13.047 6.428 1.00 0.00 S ATOM 1276 CE MET A 85 26.136 14.332 6.260 1.00 0.00 C ATOM 0 H MET A 85 19.957 11.833 5.091 1.00 0.00 H new ATOM 0 HA MET A 85 21.826 13.522 3.558 1.00 0.00 H new ATOM 0 HB2 MET A 85 21.512 13.444 6.188 1.00 0.00 H new ATOM 0 HB3 MET A 85 22.494 11.997 6.070 1.00 0.00 H new ATOM 0 HG2 MET A 85 23.807 13.962 4.499 1.00 0.00 H new ATOM 0 HG3 MET A 85 23.301 14.775 5.967 1.00 0.00 H new ATOM 0 HE1 MET A 85 27.053 14.021 6.760 1.00 0.00 H new ATOM 0 HE2 MET A 85 26.339 14.505 5.203 1.00 0.00 H new ATOM 0 HE3 MET A 85 25.769 15.252 6.715 1.00 0.00 H new ATOM 1286 N GLY A 86 21.580 10.512 3.082 1.00 0.00 N ATOM 1287 CA GLY A 86 22.121 9.344 2.421 1.00 0.00 C ATOM 1288 C GLY A 86 21.307 8.985 1.201 1.00 0.00 C ATOM 1289 O GLY A 86 21.417 9.640 0.163 1.00 0.00 O ATOM 0 H GLY A 86 20.562 10.537 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.154 9.533 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 86 22.134 8.503 3.114 1.00 0.00 H new ATOM 1293 N GLY A 87 20.390 8.046 1.369 1.00 0.00 N ATOM 1294 CA GLY A 87 19.464 7.726 0.307 1.00 0.00 C ATOM 1295 C GLY A 87 18.434 8.817 0.126 1.00 0.00 C ATOM 1296 O GLY A 87 17.752 9.194 1.077 1.00 0.00 O ATOM 0 H GLY A 87 20.271 7.500 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.012 7.583 -0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 87 18.963 6.784 0.531 1.00 0.00 H new ATOM 1300 N GLU A 88 18.367 9.386 -1.061 1.00 0.00 N ATOM 1301 CA GLU A 88 17.439 10.471 -1.318 1.00 0.00 C ATOM 1302 C GLU A 88 16.074 9.909 -1.685 1.00 0.00 C ATOM 1303 O GLU A 88 15.795 9.628 -2.852 1.00 0.00 O ATOM 1304 CB GLU A 88 17.969 11.384 -2.421 1.00 0.00 C ATOM 1305 CG GLU A 88 19.159 12.216 -1.972 1.00 0.00 C ATOM 1306 CD GLU A 88 19.035 13.681 -2.337 1.00 0.00 C ATOM 1307 OE1 GLU A 88 17.934 14.251 -2.190 1.00 0.00 O ATOM 1308 OE2 GLU A 88 20.054 14.277 -2.752 1.00 0.00 O ATOM 0 H GLU A 88 18.941 9.117 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 88 17.336 11.069 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.257 10.779 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.171 12.048 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.270 12.126 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 88 20.067 11.812 -2.421 1.00 0.00 H new ATOM 1315 N PHE A 89 15.289 9.596 -0.662 1.00 0.00 N ATOM 1316 CA PHE A 89 14.003 8.943 -0.862 1.00 0.00 C ATOM 1317 C PHE A 89 13.004 9.887 -1.512 1.00 0.00 C ATOM 1318 O PHE A 89 13.036 11.099 -1.289 1.00 0.00 O ATOM 1319 CB PHE A 89 13.420 8.432 0.461 1.00 0.00 C ATOM 1320 CG PHE A 89 14.410 8.352 1.588 1.00 0.00 C ATOM 1321 CD1 PHE A 89 15.237 7.251 1.711 1.00 0.00 C ATOM 1322 CD2 PHE A 89 14.507 9.368 2.529 1.00 0.00 C ATOM 1323 CE1 PHE A 89 16.145 7.164 2.745 1.00 0.00 C ATOM 1324 CE2 PHE A 89 15.411 9.282 3.567 1.00 0.00 C ATOM 1325 CZ PHE A 89 16.231 8.180 3.675 1.00 0.00 C ATOM 0 H PHE A 89 15.521 9.784 0.313 1.00 0.00 H new ATOM 0 HA PHE A 89 14.181 8.094 -1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.601 9.086 0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 89 12.994 7.442 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 89 15.171 6.450 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.868 10.235 2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 89 16.789 6.301 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 89 15.476 10.078 4.294 1.00 0.00 H new ATOM 0 HZ PHE A 89 16.940 8.111 4.487 1.00 0.00 H new ATOM 1335 N GLY A 90 12.050 9.300 -2.209 1.00 0.00 N ATOM 1336 CA GLY A 90 10.968 10.058 -2.786 1.00 0.00 C ATOM 1337 C GLY A 90 9.642 9.468 -2.376 1.00 0.00 C ATOM 1338 O GLY A 90 9.137 8.559 -3.025 1.00 0.00 O ATOM 0 H GLY A 90 12.007 8.297 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.028 11.097 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.054 10.059 -3.873 1.00 0.00 H new ATOM 1342 N ASP A 91 9.141 9.915 -1.236 1.00 0.00 N ATOM 1343 CA ASP A 91 7.907 9.384 -0.666 1.00 0.00 C ATOM 1344 C ASP A 91 6.736 9.553 -1.627 1.00 0.00 C ATOM 1345 O ASP A 91 6.176 8.580 -2.129 1.00 0.00 O ATOM 1346 CB ASP A 91 7.609 10.074 0.677 1.00 0.00 C ATOM 1347 CG ASP A 91 7.513 11.587 0.585 1.00 0.00 C ATOM 1348 OD1 ASP A 91 8.501 12.230 0.166 1.00 0.00 O ATOM 1349 OD2 ASP A 91 6.446 12.139 0.919 1.00 0.00 O ATOM 0 H ASP A 91 9.573 10.652 -0.680 1.00 0.00 H new ATOM 0 HA ASP A 91 8.042 8.316 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.672 9.684 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.391 9.812 1.390 1.00 0.00 H new ATOM 1354 N GLU A 92 6.420 10.796 -1.915 1.00 0.00 N ATOM 1355 CA GLU A 92 5.352 11.135 -2.846 1.00 0.00 C ATOM 1356 C GLU A 92 5.836 10.980 -4.281 1.00 0.00 C ATOM 1357 O GLU A 92 5.044 10.795 -5.207 1.00 0.00 O ATOM 1358 CB GLU A 92 4.880 12.572 -2.607 1.00 0.00 C ATOM 1359 CG GLU A 92 3.604 12.667 -1.790 1.00 0.00 C ATOM 1360 CD GLU A 92 2.675 13.754 -2.287 1.00 0.00 C ATOM 1361 OE1 GLU A 92 2.702 14.063 -3.496 1.00 0.00 O ATOM 1362 OE2 GLU A 92 1.913 14.312 -1.472 1.00 0.00 O ATOM 0 H GLU A 92 6.893 11.605 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 92 4.516 10.455 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.669 13.124 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.722 13.058 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.085 11.709 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.858 12.859 -0.748 1.00 0.00 H new ATOM 1369 N ASP A 93 7.145 11.083 -4.457 1.00 0.00 N ATOM 1370 CA ASP A 93 7.763 10.969 -5.773 1.00 0.00 C ATOM 1371 C ASP A 93 7.632 9.548 -6.315 1.00 0.00 C ATOM 1372 O ASP A 93 7.587 9.339 -7.527 1.00 0.00 O ATOM 1373 CB ASP A 93 9.239 11.372 -5.697 1.00 0.00 C ATOM 1374 CG ASP A 93 9.983 11.142 -6.997 1.00 0.00 C ATOM 1375 OD1 ASP A 93 9.562 11.690 -8.036 1.00 0.00 O ATOM 1376 OD2 ASP A 93 11.006 10.423 -6.984 1.00 0.00 O ATOM 0 H ASP A 93 7.806 11.247 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 93 7.244 11.643 -6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.309 12.426 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.724 10.806 -4.902 1.00 0.00 H new ATOM 1381 N GLU A 94 7.546 8.582 -5.411 1.00 0.00 N ATOM 1382 CA GLU A 94 7.401 7.187 -5.794 1.00 0.00 C ATOM 1383 C GLU A 94 5.963 6.877 -6.193 1.00 0.00 C ATOM 1384 O GLU A 94 5.539 7.167 -7.316 1.00 0.00 O ATOM 1385 CB GLU A 94 7.828 6.273 -4.645 1.00 0.00 C ATOM 1386 CG GLU A 94 9.172 5.606 -4.867 1.00 0.00 C ATOM 1387 CD GLU A 94 9.104 4.473 -5.869 1.00 0.00 C ATOM 1388 OE1 GLU A 94 9.191 4.748 -7.083 1.00 0.00 O ATOM 1389 OE2 GLU A 94 8.986 3.306 -5.449 1.00 0.00 O ATOM 0 H GLU A 94 7.574 8.741 -4.404 1.00 0.00 H new ATOM 0 HA GLU A 94 8.046 7.006 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.868 6.855 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.069 5.504 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.889 6.350 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.544 5.223 -3.917 1.00 0.00 H new ATOM 1396 N ARG A 95 5.229 6.240 -5.297 1.00 0.00 N ATOM 1397 CA ARG A 95 3.874 5.822 -5.586 1.00 0.00 C ATOM 1398 C ARG A 95 2.949 6.132 -4.419 1.00 0.00 C ATOM 1399 O ARG A 95 3.390 6.268 -3.280 1.00 0.00 O ATOM 1400 CB ARG A 95 3.855 4.324 -5.883 1.00 0.00 C ATOM 1401 CG ARG A 95 3.059 3.952 -7.119 1.00 0.00 C ATOM 1402 CD ARG A 95 3.757 4.413 -8.386 1.00 0.00 C ATOM 1403 NE ARG A 95 2.813 4.635 -9.478 1.00 0.00 N ATOM 1404 CZ ARG A 95 3.044 4.286 -10.744 1.00 0.00 C ATOM 1405 NH1 ARG A 95 4.208 3.744 -11.088 1.00 0.00 N ATOM 1406 NH2 ARG A 95 2.110 4.486 -11.666 1.00 0.00 N ATOM 0 H ARG A 95 5.553 6.001 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 95 3.518 6.372 -6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.880 3.975 -6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.439 3.798 -5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.918 2.872 -7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.067 4.401 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.303 5.335 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.492 3.667 -8.688 1.00 0.00 H new ATOM 0 HE ARG A 95 1.924 5.084 -9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.929 3.594 -10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.380 3.479 -12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.218 4.906 -11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.285 4.220 -12.635 1.00 0.00 H new ATOM 1420 N LEU A 96 1.660 6.163 -4.696 1.00 0.00 N ATOM 1421 CA LEU A 96 0.662 6.344 -3.655 1.00 0.00 C ATOM 1422 C LEU A 96 -0.286 5.158 -3.655 1.00 0.00 C ATOM 1423 O LEU A 96 -0.130 4.234 -4.457 1.00 0.00 O ATOM 1424 CB LEU A 96 -0.124 7.643 -3.861 1.00 0.00 C ATOM 1425 CG LEU A 96 0.389 8.550 -4.981 1.00 0.00 C ATOM 1426 CD1 LEU A 96 -0.737 8.899 -5.941 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.013 9.811 -4.401 1.00 0.00 C ATOM 0 H LEU A 96 1.276 6.065 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 96 1.171 6.409 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.163 7.390 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.114 8.206 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 96 1.158 8.013 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.354 9.545 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.137 7.985 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.529 9.418 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.373 10.445 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.266 10.353 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.848 9.540 -3.755 1.00 0.00 H new ATOM 1439 N ILE A 97 -1.304 5.212 -2.812 1.00 0.00 N ATOM 1440 CA ILE A 97 -2.318 4.179 -2.777 1.00 0.00 C ATOM 1441 C ILE A 97 -3.648 4.785 -2.399 1.00 0.00 C ATOM 1442 O ILE A 97 -3.720 5.656 -1.530 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.994 3.039 -1.791 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -0.751 3.363 -0.961 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -1.814 1.732 -2.551 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -0.562 2.453 0.233 1.00 0.00 C ATOM 0 H ILE A 97 -1.448 5.966 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.352 3.746 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.830 2.931 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.129 3.296 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.815 4.394 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.585 0.931 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.733 1.493 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.995 1.835 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.339 2.744 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.424 2.537 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.465 1.422 -0.107 1.00 0.00 H new ATOM 1458 N THR A 98 -4.679 4.393 -3.111 1.00 0.00 N ATOM 1459 CA THR A 98 -5.989 4.939 -2.898 1.00 0.00 C ATOM 1460 C THR A 98 -6.912 3.874 -2.306 1.00 0.00 C ATOM 1461 O THR A 98 -6.970 2.740 -2.795 1.00 0.00 O ATOM 1462 CB THR A 98 -6.538 5.500 -4.231 1.00 0.00 C ATOM 1463 OG1 THR A 98 -6.494 6.932 -4.220 1.00 0.00 O ATOM 1464 CG2 THR A 98 -7.952 5.032 -4.505 1.00 0.00 C ATOM 0 H THR A 98 -4.629 3.690 -3.849 1.00 0.00 H new ATOM 0 HA THR A 98 -5.936 5.760 -2.183 1.00 0.00 H new ATOM 0 HB THR A 98 -5.902 5.119 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.842 7.277 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.297 5.450 -5.451 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.971 3.944 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.608 5.365 -3.701 1.00 0.00 H new ATOM 1472 N ARG A 99 -7.578 4.221 -1.213 1.00 0.00 N ATOM 1473 CA ARG A 99 -8.490 3.310 -0.555 1.00 0.00 C ATOM 1474 C ARG A 99 -9.870 3.432 -1.173 1.00 0.00 C ATOM 1475 O ARG A 99 -10.528 4.466 -1.060 1.00 0.00 O ATOM 1476 CB ARG A 99 -8.543 3.591 0.941 1.00 0.00 C ATOM 1477 CG ARG A 99 -7.794 2.556 1.750 1.00 0.00 C ATOM 1478 CD ARG A 99 -7.335 3.104 3.085 1.00 0.00 C ATOM 1479 NE ARG A 99 -7.895 2.351 4.203 1.00 0.00 N ATOM 1480 CZ ARG A 99 -8.104 2.854 5.411 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -7.881 4.139 5.655 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -8.576 2.071 6.361 1.00 0.00 N ATOM 0 H ARG A 99 -7.499 5.134 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.131 2.290 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.121 4.577 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.583 3.619 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.436 1.690 1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.930 2.209 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.247 3.073 3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.629 4.150 3.168 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.141 1.374 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.546 4.749 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.045 4.517 6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.776 1.091 6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.741 2.445 7.295 1.00 0.00 H new ATOM 1496 N LEU A 100 -10.234 2.429 -1.946 1.00 0.00 N ATOM 1497 CA LEU A 100 -11.460 2.475 -2.709 1.00 0.00 C ATOM 1498 C LEU A 100 -12.544 1.616 -2.092 1.00 0.00 C ATOM 1499 O LEU A 100 -12.304 0.844 -1.161 1.00 0.00 O ATOM 1500 CB LEU A 100 -11.209 2.008 -4.136 1.00 0.00 C ATOM 1501 CG LEU A 100 -12.063 2.689 -5.203 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -11.278 3.797 -5.883 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -12.550 1.674 -6.222 1.00 0.00 C ATOM 0 H LEU A 100 -9.695 1.571 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.800 3.511 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.158 2.172 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.383 0.933 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.933 3.132 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.901 4.272 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.979 4.538 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.390 3.377 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.157 2.177 -6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.693 1.201 -6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.150 0.914 -5.721 1.00 0.00 H new ATOM 1515 N GLU A 101 -13.717 1.723 -2.678 1.00 0.00 N ATOM 1516 CA GLU A 101 -14.875 0.955 -2.269 1.00 0.00 C ATOM 1517 C GLU A 101 -15.117 -0.188 -3.247 1.00 0.00 C ATOM 1518 O GLU A 101 -15.110 0.012 -4.465 1.00 0.00 O ATOM 1519 CB GLU A 101 -16.098 1.870 -2.213 1.00 0.00 C ATOM 1520 CG GLU A 101 -15.738 3.334 -2.008 1.00 0.00 C ATOM 1521 CD GLU A 101 -16.515 4.272 -2.908 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -16.900 3.859 -4.023 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -16.727 5.435 -2.511 1.00 0.00 O ATOM 0 H GLU A 101 -13.896 2.352 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.697 0.533 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.664 1.767 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.751 1.545 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.921 3.604 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.671 3.468 -2.189 1.00 0.00 H new ATOM 1530 N ASN A 102 -15.232 -1.395 -2.715 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.405 -2.582 -3.544 1.00 0.00 C ATOM 1532 C ASN A 102 -16.792 -2.613 -4.181 1.00 0.00 C ATOM 1533 O ASN A 102 -16.939 -2.389 -5.383 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.185 -3.848 -2.715 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.879 -5.069 -3.567 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.052 -5.059 -4.785 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.425 -6.129 -2.923 1.00 0.00 N ATOM 0 H ASN A 102 -15.209 -1.580 -1.712 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.662 -2.543 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.363 -3.682 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -16.075 -4.043 -2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.203 -6.982 -3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.296 -6.095 -1.912 1.00 0.00 H new ATOM 1544 N THR A 103 -17.800 -2.938 -3.386 1.00 0.00 N ATOM 1545 CA THR A 103 -19.149 -3.073 -3.897 1.00 0.00 C ATOM 1546 C THR A 103 -20.047 -1.925 -3.413 1.00 0.00 C ATOM 1547 O THR A 103 -19.749 -0.753 -3.653 1.00 0.00 O ATOM 1548 CB THR A 103 -19.737 -4.444 -3.497 1.00 0.00 C ATOM 1549 OG1 THR A 103 -18.695 -5.429 -3.486 1.00 0.00 O ATOM 1550 CG2 THR A 103 -20.831 -4.878 -4.462 1.00 0.00 C ATOM 0 H THR A 103 -17.706 -3.112 -2.385 1.00 0.00 H new ATOM 0 HA THR A 103 -19.109 -3.018 -4.985 1.00 0.00 H new ATOM 0 HB THR A 103 -20.173 -4.349 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 103 -19.069 -6.298 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 103 -21.225 -5.846 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 103 -21.634 -4.141 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.418 -4.958 -5.468 1.00 0.00 H new ATOM 1558 N GLN A 104 -21.135 -2.259 -2.728 1.00 0.00 N ATOM 1559 CA GLN A 104 -22.078 -1.269 -2.234 1.00 0.00 C ATOM 1560 C GLN A 104 -22.543 -1.656 -0.843 1.00 0.00 C ATOM 1561 O GLN A 104 -23.506 -2.406 -0.691 1.00 0.00 O ATOM 1562 CB GLN A 104 -23.289 -1.159 -3.171 1.00 0.00 C ATOM 1563 CG GLN A 104 -22.928 -0.827 -4.611 1.00 0.00 C ATOM 1564 CD GLN A 104 -23.656 0.399 -5.129 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -24.605 0.881 -4.512 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -23.217 0.913 -6.266 1.00 0.00 N ATOM 0 H GLN A 104 -21.385 -3.221 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 104 -21.578 -0.301 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -23.837 -2.101 -3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -23.962 -0.391 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -21.853 -0.664 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -23.164 -1.680 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -22.427 0.484 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -23.669 1.738 -6.661 1.00 0.00 H new ATOM 1575 N PHE A 105 -21.755 -1.269 0.149 1.00 0.00 N ATOM 1576 CA PHE A 105 -22.002 -1.647 1.542 1.00 0.00 C ATOM 1577 C PHE A 105 -23.426 -1.284 1.969 1.00 0.00 C ATOM 1578 O PHE A 105 -24.333 -2.116 1.916 1.00 0.00 O ATOM 1579 CB PHE A 105 -20.993 -0.976 2.483 1.00 0.00 C ATOM 1580 CG PHE A 105 -19.924 -0.193 1.784 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -18.841 -0.836 1.216 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -20.001 1.186 1.701 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -17.851 -0.118 0.576 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -19.017 1.910 1.062 1.00 0.00 C ATOM 1585 CZ PHE A 105 -17.940 1.258 0.499 1.00 0.00 C ATOM 0 H PHE A 105 -20.928 -0.686 0.017 1.00 0.00 H new ATOM 0 HA PHE A 105 -21.881 -2.728 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -21.531 -0.311 3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -20.522 -1.743 3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.768 -1.912 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -20.842 1.701 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -17.009 -0.631 0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -19.089 2.986 1.002 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.167 1.823 -0.001 1.00 0.00 H new ATOM 1595 N ASP A 106 -23.625 -0.037 2.370 1.00 0.00 N ATOM 1596 CA ASP A 106 -24.950 0.428 2.767 1.00 0.00 C ATOM 1597 C ASP A 106 -25.487 1.409 1.740 1.00 0.00 C ATOM 1598 O ASP A 106 -26.341 1.065 0.921 1.00 0.00 O ATOM 1599 CB ASP A 106 -24.910 1.089 4.146 1.00 0.00 C ATOM 1600 CG ASP A 106 -26.162 0.811 4.957 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -26.318 -0.329 5.443 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -26.989 1.732 5.122 1.00 0.00 O ATOM 0 H ASP A 106 -22.892 0.669 2.430 1.00 0.00 H new ATOM 0 HA ASP A 106 -25.611 -0.437 2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -24.039 0.729 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -24.789 2.166 4.027 1.00 0.00 H new ATOM 1607 N ALA A 107 -24.896 2.590 1.711 1.00 0.00 N ATOM 1608 CA ALA A 107 -25.248 3.596 0.724 1.00 0.00 C ATOM 1609 C ALA A 107 -24.181 3.677 -0.353 1.00 0.00 C ATOM 1610 O ALA A 107 -24.491 3.876 -1.526 1.00 0.00 O ATOM 1611 CB ALA A 107 -25.444 4.950 1.391 1.00 0.00 C ATOM 0 H ALA A 107 -24.166 2.877 2.363 1.00 0.00 H new ATOM 0 HA ALA A 107 -26.188 3.308 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -25.707 5.692 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -26.245 4.880 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -24.520 5.248 1.887 1.00 0.00 H new ATOM 1617 N ALA A 108 -22.930 3.488 0.066 1.00 0.00 N ATOM 1618 CA ALA A 108 -21.763 3.495 -0.828 1.00 0.00 C ATOM 1619 C ALA A 108 -21.536 4.867 -1.465 1.00 0.00 C ATOM 1620 O ALA A 108 -20.580 5.566 -1.134 1.00 0.00 O ATOM 1621 CB ALA A 108 -21.887 2.421 -1.902 1.00 0.00 C ATOM 0 H ALA A 108 -22.692 3.324 1.044 1.00 0.00 H new ATOM 0 HA ALA A 108 -20.892 3.270 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -21.010 2.450 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -21.958 1.441 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -22.782 2.603 -2.497 1.00 0.00 H new ATOM 1627 N ASN A 109 -22.432 5.253 -2.359 1.00 0.00 N ATOM 1628 CA ASN A 109 -22.354 6.544 -3.027 1.00 0.00 C ATOM 1629 C ASN A 109 -23.179 7.581 -2.274 1.00 0.00 C ATOM 1630 O ASN A 109 -23.307 8.729 -2.704 1.00 0.00 O ATOM 1631 CB ASN A 109 -22.854 6.421 -4.466 1.00 0.00 C ATOM 1632 CG ASN A 109 -22.216 7.431 -5.402 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -21.168 8.004 -5.102 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -22.839 7.643 -6.547 1.00 0.00 N ATOM 0 H ASN A 109 -23.230 4.684 -2.642 1.00 0.00 H new ATOM 0 HA ASN A 109 -21.313 6.868 -3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -22.649 5.415 -4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -23.936 6.552 -4.482 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -22.454 8.303 -7.223 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -23.705 7.147 -6.756 1.00 0.00 H new ATOM 1641 N GLY A 110 -23.743 7.168 -1.148 1.00 0.00 N ATOM 1642 CA GLY A 110 -24.540 8.066 -0.340 1.00 0.00 C ATOM 1643 C GLY A 110 -23.763 8.599 0.843 1.00 0.00 C ATOM 1644 O GLY A 110 -22.695 8.081 1.173 1.00 0.00 O ATOM 0 H GLY A 110 -23.661 6.221 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -24.884 8.899 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -25.429 7.544 0.015 1.00 0.00 H new ATOM 1648 N ILE A 111 -24.302 9.616 1.492 1.00 0.00 N ATOM 1649 CA ILE A 111 -23.660 10.203 2.656 1.00 0.00 C ATOM 1650 C ILE A 111 -24.081 9.465 3.918 1.00 0.00 C ATOM 1651 O ILE A 111 -23.317 9.363 4.878 1.00 0.00 O ATOM 1652 CB ILE A 111 -24.000 11.702 2.807 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -24.311 12.329 1.442 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -22.848 12.438 3.478 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -25.379 13.397 1.493 1.00 0.00 C ATOM 0 H ILE A 111 -25.186 10.054 1.232 1.00 0.00 H new ATOM 0 HA ILE A 111 -22.584 10.110 2.511 1.00 0.00 H new ATOM 0 HB ILE A 111 -24.887 11.792 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -23.397 12.761 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.627 11.544 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -23.100 13.494 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.670 12.012 4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.948 12.336 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -25.545 13.794 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -26.306 12.966 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.057 14.202 2.154 1.00 0.00 H new ATOM 1667 N ASP A 112 -25.275 8.892 3.881 1.00 0.00 N ATOM 1668 CA ASP A 112 -25.793 8.127 5.010 1.00 0.00 C ATOM 1669 C ASP A 112 -25.377 6.666 4.905 1.00 0.00 C ATOM 1670 O ASP A 112 -26.214 5.759 4.888 1.00 0.00 O ATOM 1671 CB ASP A 112 -27.318 8.235 5.090 1.00 0.00 C ATOM 1672 CG ASP A 112 -27.833 8.016 6.499 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -27.079 8.268 7.458 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -28.996 7.589 6.659 1.00 0.00 O ATOM 0 H ASP A 112 -25.906 8.941 3.081 1.00 0.00 H new ATOM 0 HA ASP A 112 -25.369 8.547 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -27.630 9.219 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -27.768 7.501 4.422 1.00 0.00 H new ATOM 1679 N ASP A 113 -24.075 6.447 4.827 1.00 0.00 N ATOM 1680 CA ASP A 113 -23.525 5.105 4.746 1.00 0.00 C ATOM 1681 C ASP A 113 -23.271 4.564 6.145 1.00 0.00 C ATOM 1682 O ASP A 113 -22.534 5.171 6.926 1.00 0.00 O ATOM 1683 CB ASP A 113 -22.227 5.108 3.937 1.00 0.00 C ATOM 1684 CG ASP A 113 -21.797 3.716 3.533 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -22.513 3.075 2.736 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -20.740 3.257 4.009 1.00 0.00 O ATOM 0 H ASP A 113 -23.375 7.188 4.818 1.00 0.00 H new ATOM 0 HA ASP A 113 -24.245 4.461 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -22.360 5.718 3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -21.436 5.573 4.525 1.00 0.00 H new ATOM 1691 N GLU A 114 -23.972 3.499 6.497 1.00 0.00 N ATOM 1692 CA GLU A 114 -23.881 2.933 7.834 1.00 0.00 C ATOM 1693 C GLU A 114 -23.232 1.555 7.787 1.00 0.00 C ATOM 1694 O GLU A 114 -23.938 0.550 8.016 1.00 0.00 O ATOM 1695 CB GLU A 114 -25.273 2.843 8.460 1.00 0.00 C ATOM 1696 CG GLU A 114 -25.348 3.419 9.862 1.00 0.00 C ATOM 1697 CD GLU A 114 -26.250 2.613 10.773 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -25.779 1.610 11.348 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -27.434 2.979 10.916 1.00 0.00 O ATOM 1700 OXT GLU A 114 -22.016 1.482 7.512 1.00 0.00 O ATOM 0 H GLU A 114 -24.612 3.007 5.874 1.00 0.00 H new ATOM 0 HA GLU A 114 -23.260 3.585 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -25.984 3.368 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -25.582 1.798 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -24.346 3.457 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -25.712 4.445 9.811 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -4.170 -9.685 -0.570 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.970 -3.426 3.412 1.00 0.00 ZN