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 Set 1.1: A 77 MET CE :methyl -122:sc= -1.07 (180deg=-2.44) USER MOD Set 1.2: A 83 THR OG1 : rot 13:sc= -1.64! USER MOD Single : A 1 GLY N :NH3+ 173:sc= -0.043 (180deg=-0.105) USER MOD Single : A 2 SER OG : rot 180:sc= 0.121 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.934 X(o=-0.93,f=-0.44) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 TYR OH : rot -11:sc= 1.2 USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.144 (180deg=-0.607) USER MOD Single : A 24 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 111:sc= 0.905 USER MOD Single : A 38 CYS SG : rot 81:sc= -0.212! USER MOD Single : A 48 TYR OH : rot 150:sc=-0.00638 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+ -177:sc= 1.71 (180deg=1.54) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -159:sc= -3.72! USER MOD Single : A 69 HIS : no HD1:sc= -0.46 K(o=-0.46,f=-1.3) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0329 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= 1.13 K(o=1.1,f=-0.45) USER MOD Single : A 103 THR OG1 : rot -160:sc= 0.413 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= 0.719 K(o=0.72,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.345 -4.589 -6.958 1.00 0.00 N ATOM 2 CA GLY A 1 -20.749 -5.692 -6.165 1.00 0.00 C ATOM 3 C GLY A 1 -19.563 -6.335 -6.858 1.00 0.00 C ATOM 4 O GLY A 1 -19.189 -7.463 -6.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.219 -4.264 -6.498 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.670 -3.800 -7.017 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.564 -4.929 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.434 -5.308 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.509 -6.450 -5.976 1.00 0.00 H new ATOM 10 N SER A 2 -18.968 -5.627 -7.808 1.00 0.00 N ATOM 11 CA SER A 2 -17.820 -6.140 -8.536 1.00 0.00 C ATOM 12 C SER A 2 -16.588 -6.184 -7.635 1.00 0.00 C ATOM 13 O SER A 2 -16.186 -5.168 -7.060 1.00 0.00 O ATOM 14 CB SER A 2 -17.559 -5.258 -9.753 1.00 0.00 C ATOM 15 OG SER A 2 -18.542 -4.237 -9.848 1.00 0.00 O ATOM 0 H SER A 2 -19.264 -4.693 -8.092 1.00 0.00 H new ATOM 0 HA SER A 2 -18.032 -7.157 -8.867 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.568 -4.811 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.568 -5.865 -10.658 1.00 0.00 H new ATOM 0 HG SER A 2 -18.359 -3.679 -10.633 1.00 0.00 H new ATOM 21 N LEU A 3 -16.012 -7.368 -7.482 1.00 0.00 N ATOM 22 CA LEU A 3 -14.859 -7.542 -6.609 1.00 0.00 C ATOM 23 C LEU A 3 -13.580 -7.074 -7.288 1.00 0.00 C ATOM 24 O LEU A 3 -13.537 -6.879 -8.504 1.00 0.00 O ATOM 25 CB LEU A 3 -14.709 -9.002 -6.179 1.00 0.00 C ATOM 26 CG LEU A 3 -15.960 -9.638 -5.573 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.003 -11.126 -5.882 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.000 -9.399 -4.071 1.00 0.00 C ATOM 0 H LEU A 3 -16.323 -8.220 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.029 -6.930 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.407 -9.589 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.900 -9.068 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.839 -9.172 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.900 -11.563 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.019 -11.273 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.121 -11.610 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.896 -9.858 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.117 -9.841 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.015 -8.327 -3.873 1.00 0.00 H new ATOM 40 N LEU A 4 -12.536 -6.932 -6.494 1.00 0.00 N ATOM 41 CA LEU A 4 -11.237 -6.496 -6.985 1.00 0.00 C ATOM 42 C LEU A 4 -10.188 -7.553 -6.685 1.00 0.00 C ATOM 43 O LEU A 4 -10.416 -8.447 -5.875 1.00 0.00 O ATOM 44 CB LEU A 4 -10.848 -5.169 -6.335 1.00 0.00 C ATOM 45 CG LEU A 4 -11.933 -4.095 -6.360 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.508 -3.889 -4.966 1.00 0.00 C ATOM 47 CD2 LEU A 4 -11.375 -2.794 -6.913 1.00 0.00 C ATOM 0 H LEU A 4 -12.561 -7.115 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.296 -6.353 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.569 -5.358 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.962 -4.781 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.739 -4.427 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.280 -3.120 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.942 -4.823 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.714 -3.576 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.160 -2.038 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.553 -2.454 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.012 -2.956 -7.928 1.00 0.00 H new ATOM 59 N THR A 5 -9.041 -7.450 -7.327 1.00 0.00 N ATOM 60 CA THR A 5 -7.967 -8.404 -7.108 1.00 0.00 C ATOM 61 C THR A 5 -6.679 -7.687 -6.733 1.00 0.00 C ATOM 62 O THR A 5 -6.302 -6.701 -7.365 1.00 0.00 O ATOM 63 CB THR A 5 -7.720 -9.267 -8.357 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.316 -8.648 -9.507 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.293 -10.663 -8.174 1.00 0.00 C ATOM 0 H THR A 5 -8.827 -6.717 -8.004 1.00 0.00 H new ATOM 0 HA THR A 5 -8.274 -9.053 -6.288 1.00 0.00 H new ATOM 0 HB THR A 5 -6.643 -9.350 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.153 -9.203 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.106 -11.254 -9.071 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.818 -11.142 -7.318 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.367 -10.596 -8.002 1.00 0.00 H new ATOM 73 N CYS A 6 -6.034 -8.165 -5.684 1.00 0.00 N ATOM 74 CA CYS A 6 -4.798 -7.576 -5.215 1.00 0.00 C ATOM 75 C CYS A 6 -3.623 -8.160 -5.985 1.00 0.00 C ATOM 76 O CYS A 6 -3.689 -9.291 -6.463 1.00 0.00 O ATOM 77 CB CYS A 6 -4.669 -7.814 -3.705 1.00 0.00 C ATOM 78 SG CYS A 6 -3.146 -8.646 -3.157 1.00 0.00 S ATOM 0 H CYS A 6 -6.351 -8.966 -5.138 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.801 -6.500 -5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.736 -6.851 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.522 -8.407 -3.376 1.00 0.00 H new ATOM 83 N GLY A 7 -2.586 -7.362 -6.170 1.00 0.00 N ATOM 84 CA GLY A 7 -1.439 -7.807 -6.933 1.00 0.00 C ATOM 85 C GLY A 7 -0.369 -8.428 -6.057 1.00 0.00 C ATOM 86 O GLY A 7 0.701 -8.804 -6.539 1.00 0.00 O ATOM 0 H GLY A 7 -2.517 -6.412 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.762 -8.534 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.016 -6.961 -7.475 1.00 0.00 H new ATOM 90 N GLY A 8 -0.649 -8.517 -4.764 1.00 0.00 N ATOM 91 CA GLY A 8 0.308 -9.073 -3.833 1.00 0.00 C ATOM 92 C GLY A 8 0.105 -10.555 -3.631 1.00 0.00 C ATOM 93 O GLY A 8 1.046 -11.341 -3.758 1.00 0.00 O ATOM 0 H GLY A 8 -1.527 -8.212 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.318 -8.892 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.221 -8.561 -2.875 1.00 0.00 H new ATOM 97 N CYS A 9 -1.131 -10.943 -3.355 1.00 0.00 N ATOM 98 CA CYS A 9 -1.454 -12.345 -3.166 1.00 0.00 C ATOM 99 C CYS A 9 -2.377 -12.838 -4.278 1.00 0.00 C ATOM 100 O CYS A 9 -2.375 -14.024 -4.619 1.00 0.00 O ATOM 101 CB CYS A 9 -2.088 -12.564 -1.789 1.00 0.00 C ATOM 102 SG CYS A 9 -3.786 -11.930 -1.620 1.00 0.00 S ATOM 0 H CYS A 9 -1.923 -10.308 -3.258 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.532 -12.925 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.091 -13.632 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.461 -12.087 -1.036 1.00 0.00 H new ATOM 107 N GLN A 10 -3.119 -11.898 -4.871 1.00 0.00 N ATOM 108 CA GLN A 10 -4.010 -12.181 -5.996 1.00 0.00 C ATOM 109 C GLN A 10 -5.122 -13.160 -5.618 1.00 0.00 C ATOM 110 O GLN A 10 -5.649 -13.872 -6.472 1.00 0.00 O ATOM 111 CB GLN A 10 -3.217 -12.705 -7.198 1.00 0.00 C ATOM 112 CG GLN A 10 -3.466 -11.916 -8.475 1.00 0.00 C ATOM 113 CD GLN A 10 -2.201 -11.298 -9.043 1.00 0.00 C ATOM 114 OE1 GLN A 10 -1.153 -11.944 -9.111 1.00 0.00 O ATOM 115 NE2 GLN A 10 -2.289 -10.047 -9.460 1.00 0.00 N ATOM 0 H GLN A 10 -3.118 -10.919 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.486 -11.240 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.153 -12.676 -6.963 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.477 -13.750 -7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.910 -12.574 -9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.191 -11.127 -8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.174 -9.546 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.471 -9.582 -9.855 1.00 0.00 H new ATOM 124 N GLN A 11 -5.478 -13.194 -4.337 1.00 0.00 N ATOM 125 CA GLN A 11 -6.521 -14.096 -3.859 1.00 0.00 C ATOM 126 C GLN A 11 -7.894 -13.421 -3.879 1.00 0.00 C ATOM 127 O GLN A 11 -8.857 -13.945 -3.315 1.00 0.00 O ATOM 128 CB GLN A 11 -6.190 -14.594 -2.445 1.00 0.00 C ATOM 129 CG GLN A 11 -6.557 -13.615 -1.339 1.00 0.00 C ATOM 130 CD GLN A 11 -7.303 -14.277 -0.198 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.507 -14.509 -0.279 1.00 0.00 O ATOM 132 NE2 GLN A 11 -6.596 -14.582 0.874 1.00 0.00 N ATOM 0 H GLN A 11 -5.061 -12.609 -3.613 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.559 -14.951 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.713 -15.534 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.123 -14.807 -2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.649 -13.151 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.171 -12.816 -1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.598 -14.373 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.048 -15.026 1.673 1.00 0.00 H new ATOM 141 N ASN A 12 -7.960 -12.257 -4.536 1.00 0.00 N ATOM 142 CA ASN A 12 -9.194 -11.468 -4.654 1.00 0.00 C ATOM 143 C ASN A 12 -9.501 -10.730 -3.352 1.00 0.00 C ATOM 144 O ASN A 12 -9.416 -11.298 -2.263 1.00 0.00 O ATOM 145 CB ASN A 12 -10.389 -12.345 -5.068 1.00 0.00 C ATOM 146 CG ASN A 12 -11.674 -11.553 -5.237 1.00 0.00 C ATOM 147 OD1 ASN A 12 -11.904 -10.939 -6.278 1.00 0.00 O ATOM 148 ND2 ASN A 12 -12.519 -11.565 -4.217 1.00 0.00 N ATOM 0 H ASN A 12 -7.158 -11.834 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.031 -10.730 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.154 -12.851 -6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.542 -13.120 -4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.399 -11.052 -4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.290 -12.087 -3.371 1.00 0.00 H new ATOM 155 N ILE A 13 -9.843 -9.459 -3.472 1.00 0.00 N ATOM 156 CA ILE A 13 -10.166 -8.640 -2.317 1.00 0.00 C ATOM 157 C ILE A 13 -11.646 -8.749 -1.973 1.00 0.00 C ATOM 158 O ILE A 13 -12.505 -8.215 -2.680 1.00 0.00 O ATOM 159 CB ILE A 13 -9.797 -7.164 -2.552 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.403 -7.061 -3.175 1.00 0.00 C ATOM 161 CG2 ILE A 13 -9.856 -6.383 -1.249 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.224 -5.857 -4.069 1.00 0.00 C ATOM 0 H ILE A 13 -9.904 -8.969 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.576 -9.014 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.521 -6.731 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.661 -7.024 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.206 -7.964 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.592 -5.342 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.865 -6.433 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.153 -6.813 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.212 -5.852 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.942 -5.902 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.389 -4.947 -3.491 1.00 0.00 H new ATOM 174 N GLY A 14 -11.930 -9.444 -0.883 1.00 0.00 N ATOM 175 CA GLY A 14 -13.295 -9.619 -0.438 1.00 0.00 C ATOM 176 C GLY A 14 -13.557 -8.884 0.854 1.00 0.00 C ATOM 177 O GLY A 14 -14.535 -9.157 1.553 1.00 0.00 O ATOM 0 H GLY A 14 -11.230 -9.894 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.978 -9.259 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.500 -10.681 -0.301 1.00 0.00 H new ATOM 181 N ASP A 15 -12.675 -7.949 1.169 1.00 0.00 N ATOM 182 CA ASP A 15 -12.810 -7.138 2.374 1.00 0.00 C ATOM 183 C ASP A 15 -13.854 -6.054 2.162 1.00 0.00 C ATOM 184 O ASP A 15 -14.300 -5.819 1.038 1.00 0.00 O ATOM 185 CB ASP A 15 -11.479 -6.477 2.753 1.00 0.00 C ATOM 186 CG ASP A 15 -10.402 -7.472 3.130 1.00 0.00 C ATOM 187 OD1 ASP A 15 -10.408 -7.955 4.278 1.00 0.00 O ATOM 188 OD2 ASP A 15 -9.527 -7.756 2.287 1.00 0.00 O ATOM 0 H ASP A 15 -11.853 -7.730 0.606 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.118 -7.800 3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.129 -5.874 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.644 -5.797 3.589 1.00 0.00 H new ATOM 193 N ARG A 16 -14.149 -5.318 3.218 1.00 0.00 N ATOM 194 CA ARG A 16 -15.060 -4.189 3.119 1.00 0.00 C ATOM 195 C ARG A 16 -14.285 -2.916 2.792 1.00 0.00 C ATOM 196 O ARG A 16 -14.776 -2.040 2.075 1.00 0.00 O ATOM 197 CB ARG A 16 -15.861 -4.018 4.417 1.00 0.00 C ATOM 198 CG ARG A 16 -15.105 -3.304 5.524 1.00 0.00 C ATOM 199 CD ARG A 16 -16.002 -2.964 6.701 1.00 0.00 C ATOM 200 NE ARG A 16 -15.266 -3.022 7.962 1.00 0.00 N ATOM 201 CZ ARG A 16 -15.812 -3.320 9.140 1.00 0.00 C ATOM 202 NH1 ARG A 16 -17.124 -3.492 9.250 1.00 0.00 N ATOM 203 NH2 ARG A 16 -15.038 -3.416 10.214 1.00 0.00 N ATOM 0 H ARG A 16 -13.773 -5.480 4.152 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.766 -4.384 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.773 -3.462 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -16.165 -5.001 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.283 -3.933 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.663 -2.389 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.420 -1.966 6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.841 -3.659 6.735 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.266 -2.821 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.722 -3.396 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.534 -3.720 10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.033 -3.262 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.448 -3.644 11.120 1.00 0.00 H new ATOM 217 N TYR A 17 -13.041 -2.856 3.257 1.00 0.00 N ATOM 218 CA TYR A 17 -12.174 -1.726 2.970 1.00 0.00 C ATOM 219 C TYR A 17 -10.809 -2.241 2.541 1.00 0.00 C ATOM 220 O TYR A 17 -10.342 -3.266 3.045 1.00 0.00 O ATOM 221 CB TYR A 17 -12.034 -0.822 4.201 1.00 0.00 C ATOM 222 CG TYR A 17 -12.137 0.641 3.871 1.00 0.00 C ATOM 223 CD1 TYR A 17 -13.340 1.168 3.430 1.00 0.00 C ATOM 224 CD2 TYR A 17 -11.048 1.493 3.985 1.00 0.00 C ATOM 225 CE1 TYR A 17 -13.457 2.499 3.108 1.00 0.00 C ATOM 226 CE2 TYR A 17 -11.161 2.832 3.666 1.00 0.00 C ATOM 227 CZ TYR A 17 -12.369 3.327 3.226 1.00 0.00 C ATOM 228 OH TYR A 17 -12.492 4.655 2.898 1.00 0.00 O ATOM 0 H TYR A 17 -12.613 -3.580 3.835 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.613 -1.136 2.166 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.807 -1.081 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.073 -1.014 4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.200 0.522 3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.100 1.104 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.402 2.892 2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.308 3.487 3.761 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.347 4.801 2.441 1.00 0.00 H new ATOM 238 N PHE A 18 -10.202 -1.582 1.569 1.00 0.00 N ATOM 239 CA PHE A 18 -8.926 -2.035 1.042 1.00 0.00 C ATOM 240 C PHE A 18 -8.075 -0.866 0.561 1.00 0.00 C ATOM 241 O PHE A 18 -8.456 0.298 0.704 1.00 0.00 O ATOM 242 CB PHE A 18 -9.145 -3.052 -0.088 1.00 0.00 C ATOM 243 CG PHE A 18 -9.559 -2.452 -1.404 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.796 -1.839 -1.558 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.710 -2.518 -2.496 1.00 0.00 C ATOM 246 CE1 PHE A 18 -11.169 -1.306 -2.774 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.077 -1.982 -3.713 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.308 -1.376 -3.852 1.00 0.00 C ATOM 0 H PHE A 18 -10.569 -0.737 1.131 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.383 -2.524 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.223 -3.615 -0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.907 -3.765 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.472 -1.779 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.747 -2.996 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.134 -0.834 -2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.402 -2.037 -4.554 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.599 -0.956 -4.804 1.00 0.00 H new ATOM 258 N LEU A 19 -6.910 -1.185 0.022 1.00 0.00 N ATOM 259 CA LEU A 19 -5.980 -0.185 -0.448 1.00 0.00 C ATOM 260 C LEU A 19 -5.609 -0.442 -1.901 1.00 0.00 C ATOM 261 O LEU A 19 -5.458 -1.584 -2.319 1.00 0.00 O ATOM 262 CB LEU A 19 -4.727 -0.209 0.416 1.00 0.00 C ATOM 263 CG LEU A 19 -4.859 0.480 1.772 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.759 0.007 2.710 1.00 0.00 C ATOM 265 CD2 LEU A 19 -4.815 1.989 1.612 1.00 0.00 C ATOM 0 H LEU A 19 -6.587 -2.145 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.453 0.795 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.438 -1.247 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.915 0.264 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.823 0.214 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.863 0.505 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.838 -1.071 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.786 0.248 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.911 2.461 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.867 2.279 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.636 2.311 0.972 1.00 0.00 H new ATOM 277 N LYS A 20 -5.405 0.627 -2.644 1.00 0.00 N ATOM 278 CA LYS A 20 -4.979 0.536 -4.032 1.00 0.00 C ATOM 279 C LYS A 20 -4.394 1.884 -4.428 1.00 0.00 C ATOM 280 O LYS A 20 -4.790 2.903 -3.859 1.00 0.00 O ATOM 281 CB LYS A 20 -6.159 0.098 -4.929 1.00 0.00 C ATOM 282 CG LYS A 20 -6.604 1.098 -5.987 1.00 0.00 C ATOM 283 CD LYS A 20 -7.683 2.033 -5.460 1.00 0.00 C ATOM 284 CE LYS A 20 -8.344 2.820 -6.583 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.926 1.938 -7.631 1.00 0.00 N ATOM 0 H LYS A 20 -5.528 1.582 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.210 -0.225 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.883 -0.830 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.012 -0.126 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.746 1.683 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.981 0.562 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.438 1.454 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.245 2.724 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.129 3.451 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.609 3.484 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.636 2.468 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.172 1.613 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.377 1.116 -7.181 1.00 0.00 H new ATOM 299 N ALA A 21 -3.332 1.881 -5.234 1.00 0.00 N ATOM 300 CA ALA A 21 -2.608 3.123 -5.497 1.00 0.00 C ATOM 301 C ALA A 21 -1.614 2.996 -6.642 1.00 0.00 C ATOM 302 O ALA A 21 -1.611 3.826 -7.548 1.00 0.00 O ATOM 303 CB ALA A 21 -1.877 3.574 -4.242 1.00 0.00 C ATOM 0 H ALA A 21 -2.962 1.055 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.351 3.864 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.340 4.500 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.598 3.742 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.169 2.804 -3.937 1.00 0.00 H new ATOM 309 N ILE A 22 -0.672 2.058 -6.499 1.00 0.00 N ATOM 310 CA ILE A 22 0.447 1.919 -7.441 1.00 0.00 C ATOM 311 C ILE A 22 -0.015 2.018 -8.890 1.00 0.00 C ATOM 312 O ILE A 22 0.489 2.836 -9.656 1.00 0.00 O ATOM 313 CB ILE A 22 1.190 0.577 -7.258 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.328 0.225 -5.773 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.556 0.643 -7.921 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.417 -0.792 -5.473 1.00 0.00 C ATOM 0 H ILE A 22 -0.661 1.380 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 22 1.125 2.743 -7.219 1.00 0.00 H new ATOM 0 HB ILE A 22 0.605 -0.209 -7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.534 1.137 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.375 -0.163 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.072 -0.308 -7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.434 0.842 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.143 1.442 -7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.449 -0.986 -4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.204 -1.720 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.380 -0.401 -5.800 1.00 0.00 H new ATOM 328 N ASP A 23 -1.021 1.227 -9.221 1.00 0.00 N ATOM 329 CA ASP A 23 -1.610 1.214 -10.561 1.00 0.00 C ATOM 330 C ASP A 23 -2.693 0.156 -10.624 1.00 0.00 C ATOM 331 O ASP A 23 -3.459 0.076 -11.581 1.00 0.00 O ATOM 332 CB ASP A 23 -0.550 0.919 -11.630 1.00 0.00 C ATOM 333 CG ASP A 23 -0.871 1.566 -12.963 1.00 0.00 C ATOM 334 OD1 ASP A 23 -1.599 2.580 -12.985 1.00 0.00 O ATOM 335 OD2 ASP A 23 -0.381 1.070 -13.999 1.00 0.00 O ATOM 0 H ASP A 23 -1.457 0.573 -8.572 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.033 2.199 -10.759 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.420 1.274 -11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.465 -0.159 -11.765 1.00 0.00 H new ATOM 340 N GLN A 24 -2.745 -0.651 -9.576 1.00 0.00 N ATOM 341 CA GLN A 24 -3.714 -1.724 -9.471 1.00 0.00 C ATOM 342 C GLN A 24 -4.285 -1.755 -8.062 1.00 0.00 C ATOM 343 O GLN A 24 -4.038 -0.838 -7.271 1.00 0.00 O ATOM 344 CB GLN A 24 -3.064 -3.069 -9.819 1.00 0.00 C ATOM 345 CG GLN A 24 -1.658 -3.233 -9.264 1.00 0.00 C ATOM 346 CD GLN A 24 -0.587 -2.835 -10.269 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.860 -2.701 -11.461 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.633 -2.624 -9.793 1.00 0.00 N ATOM 0 H GLN A 24 -2.116 -0.579 -8.776 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.523 -1.547 -10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.691 -3.875 -9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.031 -3.176 -10.903 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.552 -2.626 -8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.506 -4.271 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.820 -2.746 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.384 -2.340 -10.422 1.00 0.00 H new ATOM 357 N TYR A 25 -4.993 -2.821 -7.732 1.00 0.00 N ATOM 358 CA TYR A 25 -5.592 -2.952 -6.410 1.00 0.00 C ATOM 359 C TYR A 25 -4.753 -3.855 -5.526 1.00 0.00 C ATOM 360 O TYR A 25 -3.983 -4.683 -6.021 1.00 0.00 O ATOM 361 CB TYR A 25 -7.021 -3.494 -6.497 1.00 0.00 C ATOM 362 CG TYR A 25 -7.783 -3.045 -7.723 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.830 -1.704 -8.095 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.455 -3.971 -8.511 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.526 -1.307 -9.223 1.00 0.00 C ATOM 366 CE2 TYR A 25 -9.151 -3.579 -9.636 1.00 0.00 C ATOM 367 CZ TYR A 25 -9.183 -2.250 -9.990 1.00 0.00 C ATOM 368 OH TYR A 25 -9.877 -1.862 -11.114 1.00 0.00 O ATOM 0 H TYR A 25 -5.168 -3.608 -8.357 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.628 -1.956 -5.968 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.985 -4.583 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.570 -3.183 -5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.317 -0.966 -7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.432 -5.016 -8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.556 -0.264 -9.503 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.669 -4.313 -10.236 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.279 -2.649 -11.538 1.00 0.00 H new ATOM 378 N TRP A 26 -4.855 -3.642 -4.223 1.00 0.00 N ATOM 379 CA TRP A 26 -4.069 -4.386 -3.258 1.00 0.00 C ATOM 380 C TRP A 26 -4.912 -4.725 -2.037 1.00 0.00 C ATOM 381 O TRP A 26 -6.107 -4.427 -1.987 1.00 0.00 O ATOM 382 CB TRP A 26 -2.838 -3.573 -2.831 1.00 0.00 C ATOM 383 CG TRP A 26 -1.963 -3.163 -3.979 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.053 -2.014 -4.713 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.876 -3.908 -4.527 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.089 -2.006 -5.691 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.351 -3.156 -5.595 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.291 -5.136 -4.219 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.723 -3.598 -6.359 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.779 -5.571 -4.977 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.278 -4.803 -6.034 1.00 0.00 C ATOM 0 H TRP A 26 -5.482 -2.952 -3.809 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.736 -5.312 -3.727 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.168 -2.680 -2.300 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.249 -4.163 -2.128 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.775 -1.228 -4.548 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.946 -1.265 -6.377 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.667 -5.736 -3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.105 -3.010 -7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.239 -6.521 -4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.119 -5.170 -6.604 1.00 0.00 H new ATOM 402 N HIS A 27 -4.267 -5.278 -1.031 1.00 0.00 N ATOM 403 CA HIS A 27 -4.928 -5.586 0.223 1.00 0.00 C ATOM 404 C HIS A 27 -4.407 -4.664 1.311 1.00 0.00 C ATOM 405 O HIS A 27 -3.386 -3.998 1.123 1.00 0.00 O ATOM 406 CB HIS A 27 -4.678 -7.040 0.614 1.00 0.00 C ATOM 407 CG HIS A 27 -5.738 -7.988 0.160 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.444 -9.108 -0.571 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.073 -7.953 0.382 1.00 0.00 C ATOM 410 CE1 HIS A 27 -6.588 -9.731 -0.777 1.00 0.00 C ATOM 411 NE2 HIS A 27 -7.612 -9.069 -0.216 1.00 0.00 N ATOM 0 H HIS A 27 -3.278 -5.526 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.001 -5.438 0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.721 -7.357 0.199 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.591 -7.103 1.699 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.613 -7.192 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.688 -10.655 -1.327 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.595 -9.340 -0.230 1.00 0.00 H new ATOM 419 N GLU A 28 -5.096 -4.639 2.445 1.00 0.00 N ATOM 420 CA GLU A 28 -4.710 -3.801 3.567 1.00 0.00 C ATOM 421 C GLU A 28 -3.300 -4.140 4.052 1.00 0.00 C ATOM 422 O GLU A 28 -2.483 -3.250 4.284 1.00 0.00 O ATOM 423 CB GLU A 28 -5.711 -3.983 4.708 1.00 0.00 C ATOM 424 CG GLU A 28 -6.802 -2.926 4.734 1.00 0.00 C ATOM 425 CD GLU A 28 -6.654 -1.957 5.888 1.00 0.00 C ATOM 426 OE1 GLU A 28 -5.545 -1.426 6.091 1.00 0.00 O ATOM 427 OE2 GLU A 28 -7.655 -1.697 6.587 1.00 0.00 O ATOM 0 H GLU A 28 -5.934 -5.197 2.610 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.712 -2.762 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.172 -4.967 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.175 -3.964 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.786 -2.371 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.774 -3.415 4.799 1.00 0.00 H new ATOM 434 N ASP A 29 -3.030 -5.429 4.236 1.00 0.00 N ATOM 435 CA ASP A 29 -1.735 -5.863 4.761 1.00 0.00 C ATOM 436 C ASP A 29 -0.838 -6.420 3.664 1.00 0.00 C ATOM 437 O ASP A 29 0.327 -6.739 3.900 1.00 0.00 O ATOM 438 CB ASP A 29 -1.924 -6.916 5.855 1.00 0.00 C ATOM 439 CG ASP A 29 -1.270 -6.525 7.167 1.00 0.00 C ATOM 440 OD1 ASP A 29 -0.057 -6.229 7.178 1.00 0.00 O ATOM 441 OD2 ASP A 29 -1.971 -6.519 8.203 1.00 0.00 O ATOM 0 H ASP A 29 -3.682 -6.186 4.032 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.248 -4.984 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.990 -7.076 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.508 -7.865 5.516 1.00 0.00 H new ATOM 446 N CYS A 30 -1.372 -6.515 2.463 1.00 0.00 N ATOM 447 CA CYS A 30 -0.613 -7.034 1.332 1.00 0.00 C ATOM 448 C CYS A 30 0.333 -5.975 0.776 1.00 0.00 C ATOM 449 O CYS A 30 1.496 -6.257 0.496 1.00 0.00 O ATOM 450 CB CYS A 30 -1.555 -7.520 0.239 1.00 0.00 C ATOM 451 SG CYS A 30 -2.035 -9.275 0.399 1.00 0.00 S ATOM 0 H CYS A 30 -2.329 -6.241 2.240 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.016 -7.875 1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.455 -6.905 0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.078 -7.371 -0.730 1.00 0.00 H new ATOM 456 N LEU A 31 -0.162 -4.752 0.661 1.00 0.00 N ATOM 457 CA LEU A 31 0.653 -3.630 0.196 1.00 0.00 C ATOM 458 C LEU A 31 1.614 -3.170 1.295 1.00 0.00 C ATOM 459 O LEU A 31 1.646 -1.999 1.674 1.00 0.00 O ATOM 460 CB LEU A 31 -0.239 -2.471 -0.258 1.00 0.00 C ATOM 461 CG LEU A 31 0.492 -1.306 -0.938 1.00 0.00 C ATOM 462 CD1 LEU A 31 1.662 -1.801 -1.775 1.00 0.00 C ATOM 463 CD2 LEU A 31 -0.472 -0.499 -1.790 1.00 0.00 C ATOM 0 H LEU A 31 -1.127 -4.507 0.883 1.00 0.00 H new ATOM 0 HA LEU A 31 1.243 -3.965 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.988 -2.860 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.774 -2.085 0.610 1.00 0.00 H new ATOM 0 HG LEU A 31 0.892 -0.659 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.159 -0.952 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.370 -2.328 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.296 -2.478 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.063 0.323 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.905 -1.141 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.267 -0.099 -1.160 1.00 0.00 H new ATOM 475 N SER A 32 2.418 -4.096 1.771 1.00 0.00 N ATOM 476 CA SER A 32 3.400 -3.813 2.795 1.00 0.00 C ATOM 477 C SER A 32 4.766 -4.328 2.359 1.00 0.00 C ATOM 478 O SER A 32 4.970 -4.614 1.173 1.00 0.00 O ATOM 479 CB SER A 32 2.977 -4.464 4.114 1.00 0.00 C ATOM 480 OG SER A 32 1.580 -4.331 4.320 1.00 0.00 O ATOM 0 H SER A 32 2.409 -5.067 1.459 1.00 0.00 H new ATOM 0 HA SER A 32 3.466 -2.735 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.248 -5.520 4.106 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.516 -4.002 4.941 1.00 0.00 H new ATOM 0 HG SER A 32 1.153 -5.210 4.245 1.00 0.00 H new ATOM 486 N CYS A 33 5.670 -4.487 3.325 1.00 0.00 N ATOM 487 CA CYS A 33 6.997 -5.025 3.085 1.00 0.00 C ATOM 488 C CYS A 33 6.926 -6.298 2.239 1.00 0.00 C ATOM 489 O CYS A 33 6.264 -7.270 2.613 1.00 0.00 O ATOM 490 CB CYS A 33 7.643 -5.338 4.434 1.00 0.00 C ATOM 491 SG CYS A 33 8.805 -4.084 5.050 1.00 0.00 S ATOM 0 H CYS A 33 5.496 -4.243 4.300 1.00 0.00 H new ATOM 0 HA CYS A 33 7.590 -4.291 2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.854 -5.472 5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.170 -6.289 4.354 1.00 0.00 H new ATOM 496 N ASP A 34 7.585 -6.282 1.092 1.00 0.00 N ATOM 497 CA ASP A 34 7.577 -7.440 0.202 1.00 0.00 C ATOM 498 C ASP A 34 8.664 -8.416 0.602 1.00 0.00 C ATOM 499 O ASP A 34 8.398 -9.587 0.869 1.00 0.00 O ATOM 500 CB ASP A 34 7.780 -7.019 -1.252 1.00 0.00 C ATOM 501 CG ASP A 34 7.185 -8.011 -2.233 1.00 0.00 C ATOM 502 OD1 ASP A 34 7.837 -9.036 -2.523 1.00 0.00 O ATOM 503 OD2 ASP A 34 6.061 -7.770 -2.718 1.00 0.00 O ATOM 0 H ASP A 34 8.129 -5.488 0.754 1.00 0.00 H new ATOM 0 HA ASP A 34 6.604 -7.922 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.327 -6.040 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.846 -6.912 -1.450 1.00 0.00 H new ATOM 508 N LEU A 35 9.885 -7.908 0.662 1.00 0.00 N ATOM 509 CA LEU A 35 11.035 -8.710 1.043 1.00 0.00 C ATOM 510 C LEU A 35 10.878 -9.227 2.469 1.00 0.00 C ATOM 511 O LEU A 35 10.897 -10.434 2.713 1.00 0.00 O ATOM 512 CB LEU A 35 12.308 -7.868 0.924 1.00 0.00 C ATOM 513 CG LEU A 35 13.599 -8.574 1.338 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.388 -9.003 0.111 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.435 -7.665 2.225 1.00 0.00 C ATOM 0 H LEU A 35 10.105 -6.935 0.449 1.00 0.00 H new ATOM 0 HA LEU A 35 11.106 -9.568 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.410 -7.537 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.191 -6.973 1.535 1.00 0.00 H new ATOM 0 HG LEU A 35 13.341 -9.468 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.304 -9.504 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.787 -9.687 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.640 -8.126 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.352 -8.180 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.686 -6.755 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.868 -7.407 3.119 1.00 0.00 H new ATOM 527 N CYS A 36 10.767 -8.293 3.400 1.00 0.00 N ATOM 528 CA CYS A 36 10.660 -8.606 4.815 1.00 0.00 C ATOM 529 C CYS A 36 9.284 -9.167 5.171 1.00 0.00 C ATOM 530 O CYS A 36 9.166 -10.276 5.693 1.00 0.00 O ATOM 531 CB CYS A 36 10.945 -7.333 5.597 1.00 0.00 C ATOM 532 SG CYS A 36 12.032 -6.180 4.692 1.00 0.00 S ATOM 0 H CYS A 36 10.749 -7.294 3.195 1.00 0.00 H new ATOM 0 HA CYS A 36 11.383 -9.381 5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.004 -6.834 5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.409 -7.592 6.549 1.00 0.00 H new ATOM 537 N GLY A 37 8.248 -8.407 4.860 1.00 0.00 N ATOM 538 CA GLY A 37 6.894 -8.862 5.113 1.00 0.00 C ATOM 539 C GLY A 37 6.272 -8.246 6.354 1.00 0.00 C ATOM 540 O GLY A 37 5.354 -8.820 6.937 1.00 0.00 O ATOM 0 H GLY A 37 8.318 -7.482 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.272 -8.627 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.897 -9.947 5.218 1.00 0.00 H new ATOM 544 N CYS A 38 6.744 -7.070 6.748 1.00 0.00 N ATOM 545 CA CYS A 38 6.187 -6.384 7.903 1.00 0.00 C ATOM 546 C CYS A 38 5.065 -5.423 7.477 1.00 0.00 C ATOM 547 O CYS A 38 3.974 -5.878 7.128 1.00 0.00 O ATOM 548 CB CYS A 38 7.297 -5.661 8.673 1.00 0.00 C ATOM 549 SG CYS A 38 8.908 -5.714 7.857 1.00 0.00 S ATOM 0 H CYS A 38 7.507 -6.575 6.287 1.00 0.00 H new ATOM 0 HA CYS A 38 5.742 -7.120 8.573 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.007 -4.620 8.817 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.388 -6.106 9.664 1.00 0.00 H new ATOM 0 HG CYS A 38 8.956 -4.802 6.932 1.00 0.00 H new ATOM 555 N ARG A 39 5.329 -4.112 7.465 1.00 0.00 N ATOM 556 CA ARG A 39 4.305 -3.130 7.098 1.00 0.00 C ATOM 557 C ARG A 39 4.917 -1.755 6.837 1.00 0.00 C ATOM 558 O ARG A 39 5.998 -1.441 7.335 1.00 0.00 O ATOM 559 CB ARG A 39 3.259 -3.016 8.211 1.00 0.00 C ATOM 560 CG ARG A 39 1.879 -3.507 7.807 1.00 0.00 C ATOM 561 CD ARG A 39 0.801 -2.896 8.682 1.00 0.00 C ATOM 562 NE ARG A 39 -0.355 -3.777 8.834 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.420 -3.479 9.581 1.00 0.00 C ATOM 564 NH1 ARG A 39 -1.459 -2.346 10.273 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.443 -4.319 9.643 1.00 0.00 N ATOM 0 H ARG A 39 6.235 -3.709 7.703 1.00 0.00 H new ATOM 0 HA ARG A 39 3.831 -3.477 6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.599 -3.586 9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.187 -1.974 8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.691 -3.254 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.840 -4.594 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.217 -2.673 9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.479 -1.949 8.250 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.347 -4.670 8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.672 -1.698 10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.276 -2.124 10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.417 -5.194 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.257 -4.091 10.214 1.00 0.00 H new ATOM 579 N LEU A 40 4.188 -0.915 6.108 1.00 0.00 N ATOM 580 CA LEU A 40 4.616 0.455 5.843 1.00 0.00 C ATOM 581 C LEU A 40 3.434 1.407 6.014 1.00 0.00 C ATOM 582 O LEU A 40 2.321 1.097 5.590 1.00 0.00 O ATOM 583 CB LEU A 40 5.184 0.591 4.420 1.00 0.00 C ATOM 584 CG LEU A 40 5.547 -0.723 3.716 1.00 0.00 C ATOM 585 CD1 LEU A 40 5.105 -0.696 2.263 1.00 0.00 C ATOM 586 CD2 LEU A 40 7.043 -0.988 3.812 1.00 0.00 C ATOM 0 H LEU A 40 3.292 -1.161 5.688 1.00 0.00 H new ATOM 0 HA LEU A 40 5.402 0.710 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.454 1.120 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.076 1.216 4.464 1.00 0.00 H new ATOM 0 HG LEU A 40 5.020 -1.534 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.373 -1.638 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.025 -0.558 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.600 0.127 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.280 -1.924 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.588 -0.172 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.334 -1.058 4.860 1.00 0.00 H new ATOM 598 N GLY A 41 3.660 2.553 6.647 1.00 0.00 N ATOM 599 CA GLY A 41 2.575 3.494 6.831 1.00 0.00 C ATOM 600 C GLY A 41 2.879 4.626 7.798 1.00 0.00 C ATOM 601 O GLY A 41 2.158 4.813 8.777 1.00 0.00 O ATOM 0 H GLY A 41 4.560 2.843 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.313 3.921 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.699 2.953 7.189 1.00 0.00 H new ATOM 605 N GLU A 42 3.861 5.456 7.469 1.00 0.00 N ATOM 606 CA GLU A 42 4.127 6.659 8.252 1.00 0.00 C ATOM 607 C GLU A 42 3.954 7.905 7.387 1.00 0.00 C ATOM 608 O GLU A 42 2.875 8.493 7.351 1.00 0.00 O ATOM 609 CB GLU A 42 5.524 6.610 8.867 1.00 0.00 C ATOM 610 CG GLU A 42 5.625 5.612 9.999 1.00 0.00 C ATOM 611 CD GLU A 42 6.960 4.906 10.051 1.00 0.00 C ATOM 612 OE1 GLU A 42 7.979 5.569 10.323 1.00 0.00 O ATOM 613 OE2 GLU A 42 6.987 3.677 9.848 1.00 0.00 O ATOM 0 H GLU A 42 4.483 5.321 6.672 1.00 0.00 H new ATOM 0 HA GLU A 42 3.406 6.706 9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.249 6.352 8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.790 7.601 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.456 6.127 10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.833 4.871 9.893 1.00 0.00 H new ATOM 620 N VAL A 43 4.983 8.254 6.623 1.00 0.00 N ATOM 621 CA VAL A 43 4.904 9.392 5.711 1.00 0.00 C ATOM 622 C VAL A 43 5.553 9.057 4.375 1.00 0.00 C ATOM 623 O VAL A 43 6.646 8.524 4.337 1.00 0.00 O ATOM 624 CB VAL A 43 5.573 10.655 6.292 1.00 0.00 C ATOM 625 CG1 VAL A 43 4.534 11.533 6.969 1.00 0.00 C ATOM 626 CG2 VAL A 43 6.691 10.289 7.258 1.00 0.00 C ATOM 0 H VAL A 43 5.880 7.768 6.616 1.00 0.00 H new ATOM 0 HA VAL A 43 3.844 9.601 5.568 1.00 0.00 H new ATOM 0 HB VAL A 43 6.020 11.216 5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.017 12.421 7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.780 11.831 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.059 10.977 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.144 11.199 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.283 9.701 8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.447 9.704 6.734 1.00 0.00 H new ATOM 636 N GLY A 44 4.859 9.373 3.289 1.00 0.00 N ATOM 637 CA GLY A 44 5.375 9.094 1.951 1.00 0.00 C ATOM 638 C GLY A 44 4.739 9.998 0.915 1.00 0.00 C ATOM 639 O GLY A 44 4.014 10.922 1.277 1.00 0.00 O ATOM 0 H GLY A 44 3.942 9.820 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.456 9.230 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.182 8.052 1.695 1.00 0.00 H new ATOM 643 N ARG A 45 4.955 9.727 -0.366 1.00 0.00 N ATOM 644 CA ARG A 45 4.321 10.529 -1.416 1.00 0.00 C ATOM 645 C ARG A 45 3.797 9.645 -2.545 1.00 0.00 C ATOM 646 O ARG A 45 2.588 9.481 -2.687 1.00 0.00 O ATOM 647 CB ARG A 45 5.267 11.613 -1.960 1.00 0.00 C ATOM 648 CG ARG A 45 6.683 11.536 -1.430 1.00 0.00 C ATOM 649 CD ARG A 45 7.682 11.977 -2.484 1.00 0.00 C ATOM 650 NE ARG A 45 7.331 13.268 -3.069 1.00 0.00 N ATOM 651 CZ ARG A 45 7.079 13.455 -4.363 1.00 0.00 C ATOM 652 NH1 ARG A 45 7.018 12.420 -5.195 1.00 0.00 N ATOM 653 NH2 ARG A 45 6.851 14.680 -4.821 1.00 0.00 N ATOM 0 H ARG A 45 5.553 8.973 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 45 3.471 11.038 -0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.295 11.540 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.855 12.592 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.779 12.166 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.904 10.515 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.675 12.040 -2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.733 11.225 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 45 7.275 14.076 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.165 11.474 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.824 12.572 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.869 15.475 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.658 14.826 -5.812 1.00 0.00 H new ATOM 667 N ARG A 46 4.697 9.039 -3.310 1.00 0.00 N ATOM 668 CA ARG A 46 4.307 8.094 -4.356 1.00 0.00 C ATOM 669 C ARG A 46 4.878 6.721 -4.025 1.00 0.00 C ATOM 670 O ARG A 46 5.357 6.526 -2.918 1.00 0.00 O ATOM 671 CB ARG A 46 4.780 8.568 -5.728 1.00 0.00 C ATOM 672 CG ARG A 46 4.466 10.032 -6.000 1.00 0.00 C ATOM 673 CD ARG A 46 3.619 10.200 -7.249 1.00 0.00 C ATOM 674 NE ARG A 46 4.064 9.328 -8.330 1.00 0.00 N ATOM 675 CZ ARG A 46 3.252 8.549 -9.045 1.00 0.00 C ATOM 676 NH1 ARG A 46 1.940 8.588 -8.851 1.00 0.00 N ATOM 677 NH2 ARG A 46 3.755 7.741 -9.965 1.00 0.00 N ATOM 0 H ARG A 46 5.703 9.184 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 46 3.220 8.031 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.856 8.414 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.313 7.954 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.942 10.457 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.396 10.589 -6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.577 9.983 -7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.661 11.238 -7.579 1.00 0.00 H new ATOM 0 HE ARG A 46 5.059 9.313 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.546 9.217 -8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.325 7.989 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.762 7.715 -10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.136 7.144 -10.513 1.00 0.00 H new ATOM 691 N LEU A 47 4.744 5.744 -4.923 1.00 0.00 N ATOM 692 CA LEU A 47 5.170 4.381 -4.599 1.00 0.00 C ATOM 693 C LEU A 47 6.303 3.881 -5.495 1.00 0.00 C ATOM 694 O LEU A 47 6.374 4.205 -6.680 1.00 0.00 O ATOM 695 CB LEU A 47 3.989 3.404 -4.666 1.00 0.00 C ATOM 696 CG LEU A 47 3.844 2.482 -3.448 1.00 0.00 C ATOM 697 CD1 LEU A 47 2.392 2.109 -3.224 1.00 0.00 C ATOM 698 CD2 LEU A 47 4.686 1.225 -3.607 1.00 0.00 C ATOM 0 H LEU A 47 4.354 5.864 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 47 5.553 4.421 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.069 3.976 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.096 2.788 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 47 4.204 3.029 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.314 1.455 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.807 3.012 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.010 1.591 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.563 0.591 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.364 0.681 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.735 1.501 -3.711 1.00 0.00 H new ATOM 710 N TYR A 48 7.123 3.011 -4.915 1.00 0.00 N ATOM 711 CA TYR A 48 8.211 2.341 -5.612 1.00 0.00 C ATOM 712 C TYR A 48 7.966 0.838 -5.634 1.00 0.00 C ATOM 713 O TYR A 48 7.572 0.264 -4.621 1.00 0.00 O ATOM 714 CB TYR A 48 9.538 2.566 -4.885 1.00 0.00 C ATOM 715 CG TYR A 48 10.193 3.903 -5.116 1.00 0.00 C ATOM 716 CD1 TYR A 48 10.123 4.551 -6.341 1.00 0.00 C ATOM 717 CD2 TYR A 48 10.907 4.501 -4.094 1.00 0.00 C ATOM 718 CE1 TYR A 48 10.751 5.767 -6.536 1.00 0.00 C ATOM 719 CE2 TYR A 48 11.535 5.715 -4.277 1.00 0.00 C ATOM 720 CZ TYR A 48 11.456 6.345 -5.500 1.00 0.00 C ATOM 721 OH TYR A 48 12.087 7.553 -5.688 1.00 0.00 O ATOM 0 H TYR A 48 7.048 2.749 -3.932 1.00 0.00 H new ATOM 0 HA TYR A 48 8.255 2.749 -6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.370 2.445 -3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.234 1.784 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.571 4.100 -7.152 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.974 4.008 -3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.690 6.262 -7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.086 6.169 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 48 12.117 8.042 -4.839 1.00 0.00 H new ATOM 731 N TYR A 49 8.380 0.185 -6.703 1.00 0.00 N ATOM 732 CA TYR A 49 8.388 -1.267 -6.744 1.00 0.00 C ATOM 733 C TYR A 49 9.413 -1.746 -7.759 1.00 0.00 C ATOM 734 O TYR A 49 9.784 -1.007 -8.665 1.00 0.00 O ATOM 735 CB TYR A 49 6.988 -1.818 -7.039 1.00 0.00 C ATOM 736 CG TYR A 49 6.535 -1.708 -8.477 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.969 -0.536 -8.956 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.647 -2.789 -9.344 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.531 -0.438 -10.262 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.206 -2.700 -10.650 1.00 0.00 C ATOM 741 CZ TYR A 49 5.653 -1.525 -11.104 1.00 0.00 C ATOM 742 OH TYR A 49 5.207 -1.439 -12.404 1.00 0.00 O ATOM 0 H TYR A 49 8.715 0.635 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 49 8.676 -1.650 -5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.961 -2.868 -6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.270 -1.293 -6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.869 0.314 -8.297 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.085 -3.711 -8.992 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.096 0.483 -10.622 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.295 -3.549 -11.312 1.00 0.00 H new ATOM 0 HH TYR A 49 5.368 -2.290 -12.862 1.00 0.00 H new ATOM 752 N LYS A 50 9.940 -2.941 -7.555 1.00 0.00 N ATOM 753 CA LYS A 50 10.981 -3.465 -8.418 1.00 0.00 C ATOM 754 C LYS A 50 10.371 -4.297 -9.538 1.00 0.00 C ATOM 755 O LYS A 50 9.164 -4.524 -9.546 1.00 0.00 O ATOM 756 CB LYS A 50 11.991 -4.280 -7.602 1.00 0.00 C ATOM 757 CG LYS A 50 13.339 -3.591 -7.452 1.00 0.00 C ATOM 758 CD LYS A 50 14.396 -4.539 -6.907 1.00 0.00 C ATOM 759 CE LYS A 50 15.793 -4.154 -7.371 1.00 0.00 C ATOM 760 NZ LYS A 50 16.848 -4.908 -6.645 1.00 0.00 N ATOM 0 H LYS A 50 9.663 -3.566 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 50 11.516 -2.632 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.577 -4.472 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.137 -5.248 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.660 -3.205 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.238 -2.735 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.361 -4.535 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.173 -5.556 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.884 -4.342 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.943 -3.085 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.784 -4.616 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.778 -4.709 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.721 -5.927 -6.809 1.00 0.00 H new ATOM 774 N LEU A 51 11.215 -4.654 -10.508 1.00 0.00 N ATOM 775 CA LEU A 51 10.826 -5.357 -11.740 1.00 0.00 C ATOM 776 C LEU A 51 9.565 -6.206 -11.594 1.00 0.00 C ATOM 777 O LEU A 51 8.578 -5.982 -12.294 1.00 0.00 O ATOM 778 CB LEU A 51 11.980 -6.243 -12.221 1.00 0.00 C ATOM 779 CG LEU A 51 13.251 -6.177 -11.369 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.214 -7.232 -10.273 1.00 0.00 C ATOM 781 CD2 LEU A 51 14.486 -6.346 -12.238 1.00 0.00 C ATOM 0 H LEU A 51 12.215 -4.459 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 51 10.599 -4.582 -12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.635 -7.277 -12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.232 -5.961 -13.243 1.00 0.00 H new ATOM 0 HG LEU A 51 13.299 -5.196 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.125 -7.170 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.349 -7.061 -9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.141 -8.222 -10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.379 -6.296 -11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.448 -7.312 -12.741 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.518 -5.551 -12.983 1.00 0.00 H new ATOM 793 N GLY A 52 9.623 -7.211 -10.738 1.00 0.00 N ATOM 794 CA GLY A 52 8.500 -8.120 -10.612 1.00 0.00 C ATOM 795 C GLY A 52 7.968 -8.231 -9.199 1.00 0.00 C ATOM 796 O GLY A 52 7.228 -9.163 -8.884 1.00 0.00 O ATOM 0 H GLY A 52 10.418 -7.415 -10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.697 -7.786 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.803 -9.109 -10.956 1.00 0.00 H new ATOM 800 N ARG A 53 8.325 -7.285 -8.342 1.00 0.00 N ATOM 801 CA ARG A 53 7.834 -7.301 -6.971 1.00 0.00 C ATOM 802 C ARG A 53 7.770 -5.897 -6.390 1.00 0.00 C ATOM 803 O ARG A 53 8.736 -5.137 -6.486 1.00 0.00 O ATOM 804 CB ARG A 53 8.715 -8.193 -6.091 1.00 0.00 C ATOM 805 CG ARG A 53 10.200 -7.883 -6.181 1.00 0.00 C ATOM 806 CD ARG A 53 10.922 -8.290 -4.911 1.00 0.00 C ATOM 807 NE ARG A 53 12.374 -8.184 -5.039 1.00 0.00 N ATOM 808 CZ ARG A 53 13.235 -8.767 -4.208 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.796 -9.499 -3.192 1.00 0.00 N ATOM 810 NH2 ARG A 53 14.539 -8.621 -4.402 1.00 0.00 N ATOM 0 H ARG A 53 8.944 -6.506 -8.567 1.00 0.00 H new ATOM 0 HA ARG A 53 6.824 -7.710 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.396 -8.090 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.555 -9.234 -6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.633 -8.408 -7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.342 -6.817 -6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.585 -7.661 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.656 -9.316 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 53 12.749 -7.631 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.794 -9.617 -3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.461 -9.943 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.879 -8.064 -5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.202 -9.066 -3.767 1.00 0.00 H new ATOM 824 N LYS A 54 6.687 -5.596 -5.686 1.00 0.00 N ATOM 825 CA LYS A 54 6.565 -4.325 -4.985 1.00 0.00 C ATOM 826 C LYS A 54 7.370 -4.369 -3.687 1.00 0.00 C ATOM 827 O LYS A 54 6.816 -4.388 -2.587 1.00 0.00 O ATOM 828 CB LYS A 54 5.096 -3.991 -4.702 1.00 0.00 C ATOM 829 CG LYS A 54 4.291 -5.154 -4.143 1.00 0.00 C ATOM 830 CD LYS A 54 3.596 -4.778 -2.847 1.00 0.00 C ATOM 831 CE LYS A 54 3.239 -6.008 -2.032 1.00 0.00 C ATOM 832 NZ LYS A 54 4.355 -6.433 -1.149 1.00 0.00 N ATOM 0 H LYS A 54 5.882 -6.214 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 54 6.966 -3.537 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.053 -3.161 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.628 -3.650 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.549 -5.470 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.951 -6.004 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.244 -4.127 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.691 -4.212 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.357 -5.798 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.977 -6.825 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.089 -7.305 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.204 -6.609 -1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.555 -5.683 -0.456 1.00 0.00 H new ATOM 846 N LEU A 55 8.681 -4.462 -3.841 1.00 0.00 N ATOM 847 CA LEU A 55 9.581 -4.573 -2.713 1.00 0.00 C ATOM 848 C LEU A 55 9.809 -3.206 -2.095 1.00 0.00 C ATOM 849 O LEU A 55 9.711 -2.181 -2.779 1.00 0.00 O ATOM 850 CB LEU A 55 10.912 -5.202 -3.156 1.00 0.00 C ATOM 851 CG LEU A 55 12.180 -4.501 -2.653 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.164 -5.511 -2.085 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.821 -3.693 -3.769 1.00 0.00 C ATOM 0 H LEU A 55 9.146 -4.462 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 55 9.132 -5.221 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.933 -6.238 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.938 -5.222 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 55 11.899 -3.816 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.056 -4.992 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.701 -6.041 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.441 -6.225 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.719 -3.203 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.087 -4.356 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.117 -2.939 -4.123 1.00 0.00 H new ATOM 865 N CYS A 56 10.166 -3.207 -0.821 1.00 0.00 N ATOM 866 CA CYS A 56 10.444 -1.990 -0.103 1.00 0.00 C ATOM 867 C CYS A 56 11.660 -1.302 -0.682 1.00 0.00 C ATOM 868 O CYS A 56 12.696 -1.924 -0.900 1.00 0.00 O ATOM 869 CB CYS A 56 10.688 -2.341 1.356 1.00 0.00 C ATOM 870 SG CYS A 56 10.659 -4.144 1.670 1.00 0.00 S ATOM 0 H CYS A 56 10.269 -4.054 -0.263 1.00 0.00 H new ATOM 0 HA CYS A 56 9.598 -1.309 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.653 -1.939 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.930 -1.858 1.972 1.00 0.00 H new ATOM 875 N ARG A 57 11.570 -0.001 -0.785 1.00 0.00 N ATOM 876 CA ARG A 57 12.700 0.804 -1.198 1.00 0.00 C ATOM 877 C ARG A 57 13.516 1.154 0.024 1.00 0.00 C ATOM 878 O ARG A 57 14.717 1.404 -0.053 1.00 0.00 O ATOM 879 CB ARG A 57 12.229 2.074 -1.901 1.00 0.00 C ATOM 880 CG ARG A 57 13.354 2.862 -2.553 1.00 0.00 C ATOM 881 CD ARG A 57 13.783 2.253 -3.880 1.00 0.00 C ATOM 882 NE ARG A 57 12.879 1.200 -4.344 1.00 0.00 N ATOM 883 CZ ARG A 57 12.821 0.785 -5.607 1.00 0.00 C ATOM 884 NH1 ARG A 57 13.553 1.377 -6.542 1.00 0.00 N ATOM 885 NH2 ARG A 57 12.010 -0.208 -5.945 1.00 0.00 N ATOM 0 H ARG A 57 10.722 0.530 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 57 13.311 0.239 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.495 1.807 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 57 11.721 2.712 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.030 3.890 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.209 2.899 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.835 3.038 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.788 1.843 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 57 12.260 0.760 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.165 2.155 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.504 1.054 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.429 -0.656 -5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.967 -0.524 -6.914 1.00 0.00 H new ATOM 899 N ARG A 58 12.847 1.136 1.160 1.00 0.00 N ATOM 900 CA ARG A 58 13.481 1.427 2.422 1.00 0.00 C ATOM 901 C ARG A 58 14.417 0.309 2.817 1.00 0.00 C ATOM 902 O ARG A 58 15.555 0.565 3.195 1.00 0.00 O ATOM 903 CB ARG A 58 12.426 1.650 3.507 1.00 0.00 C ATOM 904 CG ARG A 58 11.517 2.834 3.238 1.00 0.00 C ATOM 905 CD ARG A 58 12.315 4.047 2.819 1.00 0.00 C ATOM 906 NE ARG A 58 11.687 4.797 1.742 1.00 0.00 N ATOM 907 CZ ARG A 58 12.340 5.222 0.668 1.00 0.00 C ATOM 908 NH1 ARG A 58 13.591 4.827 0.448 1.00 0.00 N ATOM 909 NH2 ARG A 58 11.737 6.030 -0.183 1.00 0.00 N ATOM 0 H ARG A 58 11.853 0.920 1.230 1.00 0.00 H new ATOM 0 HA ARG A 58 14.066 2.340 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.818 0.750 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.927 1.798 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.802 2.577 2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.941 3.065 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.449 4.702 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.308 3.730 2.502 1.00 0.00 H new ATOM 0 HE ARG A 58 10.692 5.007 1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.050 4.196 1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.091 5.155 -0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.775 6.324 -0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.233 6.361 -1.011 1.00 0.00 H new ATOM 923 N ASP A 59 13.955 -0.925 2.684 1.00 0.00 N ATOM 924 CA ASP A 59 14.776 -2.077 3.021 1.00 0.00 C ATOM 925 C ASP A 59 15.723 -2.405 1.872 1.00 0.00 C ATOM 926 O ASP A 59 16.782 -3.000 2.075 1.00 0.00 O ATOM 927 CB ASP A 59 13.892 -3.273 3.365 1.00 0.00 C ATOM 928 CG ASP A 59 13.098 -3.047 4.635 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.720 -3.020 5.728 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.861 -2.869 4.542 1.00 0.00 O ATOM 0 H ASP A 59 13.020 -1.154 2.347 1.00 0.00 H new ATOM 0 HA ASP A 59 15.379 -1.839 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.207 -3.467 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.513 -4.161 3.479 1.00 0.00 H new ATOM 935 N TYR A 60 15.402 -1.883 0.694 1.00 0.00 N ATOM 936 CA TYR A 60 16.276 -1.978 -0.463 1.00 0.00 C ATOM 937 C TYR A 60 17.461 -1.027 -0.279 1.00 0.00 C ATOM 938 O TYR A 60 18.575 -1.310 -0.715 1.00 0.00 O ATOM 939 CB TYR A 60 15.445 -1.662 -1.716 1.00 0.00 C ATOM 940 CG TYR A 60 16.154 -0.997 -2.872 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.505 0.346 -2.823 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.411 -1.703 -4.040 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.107 0.964 -3.905 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.000 -1.091 -5.126 1.00 0.00 C ATOM 945 CZ TYR A 60 17.349 0.241 -5.056 1.00 0.00 C ATOM 946 OH TYR A 60 17.922 0.856 -6.148 1.00 0.00 O ATOM 0 H TYR A 60 14.530 -1.384 0.517 1.00 0.00 H new ATOM 0 HA TYR A 60 16.689 -2.980 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.013 -2.595 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.615 -1.022 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.305 0.916 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.145 -2.748 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.386 2.006 -3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.187 -1.653 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 60 18.024 0.205 -6.874 1.00 0.00 H new ATOM 956 N LEU A 61 17.220 0.070 0.434 1.00 0.00 N ATOM 957 CA LEU A 61 18.264 1.039 0.746 1.00 0.00 C ATOM 958 C LEU A 61 18.999 0.648 2.024 1.00 0.00 C ATOM 959 O LEU A 61 20.199 0.367 2.018 1.00 0.00 O ATOM 960 CB LEU A 61 17.633 2.416 0.929 1.00 0.00 C ATOM 961 CG LEU A 61 18.328 3.555 0.200 1.00 0.00 C ATOM 962 CD1 LEU A 61 17.720 3.748 -1.177 1.00 0.00 C ATOM 963 CD2 LEU A 61 18.228 4.829 1.018 1.00 0.00 C ATOM 0 H LEU A 61 16.302 0.310 0.809 1.00 0.00 H new ATOM 0 HA LEU A 61 18.980 1.059 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.597 2.370 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 61 17.612 2.648 1.994 1.00 0.00 H new ATOM 0 HG LEU A 61 19.382 3.307 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.227 4.567 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.835 2.832 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.661 3.984 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.728 5.641 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.179 5.085 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.705 4.678 1.986 1.00 0.00 H new ATOM 975 N ARG A 62 18.244 0.609 3.105 1.00 0.00 N ATOM 976 CA ARG A 62 18.740 0.223 4.416 1.00 0.00 C ATOM 977 C ARG A 62 17.620 -0.524 5.126 1.00 0.00 C ATOM 978 O ARG A 62 17.259 -1.620 4.713 1.00 0.00 O ATOM 979 CB ARG A 62 19.165 1.464 5.209 1.00 0.00 C ATOM 980 CG ARG A 62 19.876 1.148 6.512 1.00 0.00 C ATOM 981 CD ARG A 62 21.257 1.775 6.549 1.00 0.00 C ATOM 982 NE ARG A 62 21.231 3.145 7.066 1.00 0.00 N ATOM 983 CZ ARG A 62 21.870 4.165 6.498 1.00 0.00 C ATOM 984 NH1 ARG A 62 22.490 3.996 5.333 1.00 0.00 N ATOM 985 NH2 ARG A 62 21.877 5.357 7.085 1.00 0.00 N ATOM 0 H ARG A 62 17.252 0.848 3.099 1.00 0.00 H new ATOM 0 HA ARG A 62 19.617 -0.418 4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 62 19.821 2.073 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.282 2.065 5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.284 1.515 7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.961 0.068 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 62 21.913 1.167 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 62 21.680 1.776 5.545 1.00 0.00 H new ATOM 0 HE ARG A 62 20.691 3.328 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 62 22.476 3.085 4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 62 22.980 4.778 4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 62 21.392 5.491 7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 62 22.367 6.138 6.648 1.00 0.00 H new ATOM 999 N LEU A 63 16.913 0.166 6.012 1.00 0.00 N ATOM 1000 CA LEU A 63 15.657 -0.348 6.529 1.00 0.00 C ATOM 1001 C LEU A 63 14.550 0.690 6.320 1.00 0.00 C ATOM 1002 O LEU A 63 13.394 0.350 6.094 1.00 0.00 O ATOM 1003 CB LEU A 63 15.785 -0.728 8.006 1.00 0.00 C ATOM 1004 CG LEU A 63 15.229 0.290 8.999 1.00 0.00 C ATOM 1005 CD1 LEU A 63 13.973 -0.250 9.660 1.00 0.00 C ATOM 1006 CD2 LEU A 63 16.286 0.642 10.030 1.00 0.00 C ATOM 0 H LEU A 63 17.187 1.075 6.383 1.00 0.00 H new ATOM 0 HA LEU A 63 15.396 -1.254 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.275 -1.679 8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 63 16.839 -0.890 8.231 1.00 0.00 H new ATOM 0 HG LEU A 63 14.960 1.201 8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.588 0.486 10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.219 -0.452 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.209 -1.172 10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.880 1.369 10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.583 -0.258 10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 63 17.155 1.068 9.529 1.00 0.00 H new ATOM 1018 N GLY A 64 14.914 1.961 6.458 1.00 0.00 N ATOM 1019 CA GLY A 64 13.956 3.045 6.355 1.00 0.00 C ATOM 1020 C GLY A 64 14.530 4.251 5.640 1.00 0.00 C ATOM 1021 O GLY A 64 14.464 5.357 6.162 1.00 0.00 O ATOM 0 H GLY A 64 15.871 2.262 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.071 2.696 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.632 3.337 7.354 1.00 0.00 H new ATOM 1025 N GLY A 65 15.240 3.998 4.537 1.00 0.00 N ATOM 1026 CA GLY A 65 15.992 5.037 3.825 1.00 0.00 C ATOM 1027 C GLY A 65 15.143 6.139 3.195 1.00 0.00 C ATOM 1028 O GLY A 65 15.430 6.591 2.096 1.00 0.00 O ATOM 0 H GLY A 65 15.310 3.073 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 65 16.695 5.495 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.583 4.563 3.041 1.00 0.00 H new ATOM 1032 N SER A 66 14.127 6.575 3.903 1.00 0.00 N ATOM 1033 CA SER A 66 13.229 7.635 3.450 1.00 0.00 C ATOM 1034 C SER A 66 13.551 8.947 4.151 1.00 0.00 C ATOM 1035 O SER A 66 12.670 9.546 4.765 1.00 0.00 O ATOM 1036 CB SER A 66 11.785 7.250 3.726 1.00 0.00 C ATOM 1037 OG SER A 66 11.728 6.218 4.689 1.00 0.00 O ATOM 0 H SER A 66 13.890 6.204 4.823 1.00 0.00 H new ATOM 0 HA SER A 66 13.369 7.767 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.231 8.119 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.306 6.922 2.803 1.00 0.00 H new ATOM 0 HG SER A 66 10.867 5.754 4.621 1.00 0.00 H new ATOM 1043 N GLY A 67 14.843 9.277 4.185 1.00 0.00 N ATOM 1044 CA GLY A 67 15.369 10.376 4.993 1.00 0.00 C ATOM 1045 C GLY A 67 14.586 10.669 6.263 1.00 0.00 C ATOM 1046 O GLY A 67 14.768 9.981 7.266 1.00 0.00 O ATOM 0 H GLY A 67 15.558 8.785 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.400 10.148 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.392 11.278 4.382 1.00 0.00 H new ATOM 1050 N GLY A 68 13.713 11.660 6.238 1.00 0.00 N ATOM 1051 CA GLY A 68 12.915 11.942 7.414 1.00 0.00 C ATOM 1052 C GLY A 68 11.830 12.962 7.157 1.00 0.00 C ATOM 1053 O GLY A 68 10.986 12.765 6.285 1.00 0.00 O ATOM 0 H GLY A 68 13.542 12.268 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.461 11.017 7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.566 12.304 8.210 1.00 0.00 H new ATOM 1057 N HIS A 69 11.844 14.049 7.913 1.00 0.00 N ATOM 1058 CA HIS A 69 10.819 15.074 7.781 1.00 0.00 C ATOM 1059 C HIS A 69 11.422 16.473 7.816 1.00 0.00 C ATOM 1060 O HIS A 69 11.693 17.070 6.775 1.00 0.00 O ATOM 1061 CB HIS A 69 9.777 14.926 8.896 1.00 0.00 C ATOM 1062 CG HIS A 69 8.458 15.559 8.573 1.00 0.00 C ATOM 1063 ND1 HIS A 69 7.861 16.450 9.435 1.00 0.00 N ATOM 1064 CD2 HIS A 69 7.668 15.400 7.485 1.00 0.00 C ATOM 1065 CE1 HIS A 69 6.728 16.809 8.855 1.00 0.00 C ATOM 1066 NE2 HIS A 69 6.572 16.198 7.675 1.00 0.00 N ATOM 0 H HIS A 69 12.551 14.244 8.622 1.00 0.00 H new ATOM 0 HA HIS A 69 10.335 14.939 6.814 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.622 13.866 9.098 1.00 0.00 H new ATOM 0 HB3 HIS A 69 10.170 15.371 9.810 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.864 14.767 6.633 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.020 17.506 9.279 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.784 16.306 7.037 1.00 0.00 H new ATOM 1074 N MET A 70 11.584 17.011 9.016 1.00 0.00 N ATOM 1075 CA MET A 70 12.076 18.372 9.179 1.00 0.00 C ATOM 1076 C MET A 70 13.593 18.389 9.284 1.00 0.00 C ATOM 1077 O MET A 70 14.262 19.192 8.634 1.00 0.00 O ATOM 1078 CB MET A 70 11.463 19.021 10.422 1.00 0.00 C ATOM 1079 CG MET A 70 9.951 18.877 10.509 1.00 0.00 C ATOM 1080 SD MET A 70 9.092 20.458 10.398 1.00 0.00 S ATOM 1081 CE MET A 70 7.724 20.173 11.518 1.00 0.00 C ATOM 0 H MET A 70 11.382 16.527 9.891 1.00 0.00 H new ATOM 0 HA MET A 70 11.780 18.943 8.299 1.00 0.00 H new ATOM 0 HB2 MET A 70 11.912 18.578 11.311 1.00 0.00 H new ATOM 0 HB3 MET A 70 11.719 20.081 10.430 1.00 0.00 H new ATOM 0 HG2 MET A 70 9.606 18.224 9.707 1.00 0.00 H new ATOM 0 HG3 MET A 70 9.690 18.392 11.450 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.096 21.063 11.560 1.00 0.00 H new ATOM 0 HE2 MET A 70 7.133 19.329 11.163 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.109 19.954 12.514 1.00 0.00 H new ATOM 1091 N GLY A 71 14.127 17.504 10.110 1.00 0.00 N ATOM 1092 CA GLY A 71 15.561 17.439 10.305 1.00 0.00 C ATOM 1093 C GLY A 71 16.176 16.227 9.642 1.00 0.00 C ATOM 1094 O GLY A 71 17.122 15.637 10.166 1.00 0.00 O ATOM 0 H GLY A 71 13.591 16.826 10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.021 18.342 9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.780 17.416 11.373 1.00 0.00 H new ATOM 1098 N SER A 72 15.636 15.858 8.487 1.00 0.00 N ATOM 1099 CA SER A 72 16.125 14.716 7.731 1.00 0.00 C ATOM 1100 C SER A 72 15.424 14.642 6.381 1.00 0.00 C ATOM 1101 O SER A 72 14.335 15.194 6.208 1.00 0.00 O ATOM 1102 CB SER A 72 15.896 13.419 8.514 1.00 0.00 C ATOM 1103 OG SER A 72 16.744 12.383 8.050 1.00 0.00 O ATOM 0 H SER A 72 14.850 16.341 8.051 1.00 0.00 H new ATOM 0 HA SER A 72 17.195 14.840 7.568 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.079 13.594 9.574 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.855 13.111 8.416 1.00 0.00 H new ATOM 0 HG SER A 72 16.578 11.568 8.568 1.00 0.00 H new ATOM 1109 N GLY A 73 16.050 13.953 5.431 1.00 0.00 N ATOM 1110 CA GLY A 73 15.468 13.799 4.108 1.00 0.00 C ATOM 1111 C GLY A 73 15.373 15.108 3.349 1.00 0.00 C ATOM 1112 O GLY A 73 15.957 16.116 3.759 1.00 0.00 O ATOM 0 H GLY A 73 16.954 13.497 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.068 13.094 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.472 13.367 4.203 1.00 0.00 H new ATOM 1116 N GLY A 74 14.664 15.088 2.232 1.00 0.00 N ATOM 1117 CA GLY A 74 14.519 16.276 1.418 1.00 0.00 C ATOM 1118 C GLY A 74 13.069 16.676 1.223 1.00 0.00 C ATOM 1119 O GLY A 74 12.695 17.820 1.488 1.00 0.00 O ATOM 0 H GLY A 74 14.183 14.264 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.060 17.100 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.978 16.103 0.445 1.00 0.00 H new ATOM 1123 N ASP A 75 12.254 15.743 0.747 1.00 0.00 N ATOM 1124 CA ASP A 75 10.838 16.015 0.498 1.00 0.00 C ATOM 1125 C ASP A 75 10.033 15.937 1.789 1.00 0.00 C ATOM 1126 O ASP A 75 10.445 15.281 2.745 1.00 0.00 O ATOM 1127 CB ASP A 75 10.268 15.022 -0.520 1.00 0.00 C ATOM 1128 CG ASP A 75 9.067 15.578 -1.258 1.00 0.00 C ATOM 1129 OD1 ASP A 75 9.236 16.529 -2.045 1.00 0.00 O ATOM 1130 OD2 ASP A 75 7.941 15.078 -1.053 1.00 0.00 O ATOM 0 H ASP A 75 12.546 14.791 0.525 1.00 0.00 H new ATOM 0 HA ASP A 75 10.761 17.025 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.043 14.758 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.983 14.103 -0.007 1.00 0.00 H new ATOM 1135 N VAL A 76 8.862 16.567 1.796 1.00 0.00 N ATOM 1136 CA VAL A 76 7.969 16.508 2.946 1.00 0.00 C ATOM 1137 C VAL A 76 6.863 15.491 2.690 1.00 0.00 C ATOM 1138 O VAL A 76 5.868 15.784 2.023 1.00 0.00 O ATOM 1139 CB VAL A 76 7.339 17.882 3.265 1.00 0.00 C ATOM 1140 CG1 VAL A 76 7.049 17.999 4.753 1.00 0.00 C ATOM 1141 CG2 VAL A 76 8.244 19.017 2.806 1.00 0.00 C ATOM 0 H VAL A 76 8.510 17.124 1.017 1.00 0.00 H new ATOM 0 HA VAL A 76 8.566 16.207 3.807 1.00 0.00 H new ATOM 0 HB VAL A 76 6.398 17.960 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.605 18.973 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.356 17.213 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.978 17.896 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.777 19.973 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.204 18.946 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.400 18.946 1.730 1.00 0.00 H new ATOM 1151 N MET A 77 7.093 14.273 3.147 1.00 0.00 N ATOM 1152 CA MET A 77 6.194 13.158 2.894 1.00 0.00 C ATOM 1153 C MET A 77 4.943 13.237 3.767 1.00 0.00 C ATOM 1154 O MET A 77 4.911 13.978 4.748 1.00 0.00 O ATOM 1155 CB MET A 77 6.934 11.850 3.143 1.00 0.00 C ATOM 1156 CG MET A 77 8.295 11.797 2.473 1.00 0.00 C ATOM 1157 SD MET A 77 9.199 10.284 2.847 1.00 0.00 S ATOM 1158 CE MET A 77 9.425 10.450 4.615 1.00 0.00 C ATOM 0 H MET A 77 7.910 14.027 3.706 1.00 0.00 H new ATOM 0 HA MET A 77 5.868 13.204 1.855 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.059 11.709 4.217 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.326 11.021 2.781 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.167 11.881 1.394 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.886 12.656 2.792 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.489 10.425 4.850 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.002 11.398 4.948 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.922 9.629 5.125 1.00 0.00 H new ATOM 1168 N VAL A 78 3.887 12.527 3.367 1.00 0.00 N ATOM 1169 CA VAL A 78 2.610 12.588 4.082 1.00 0.00 C ATOM 1170 C VAL A 78 1.808 11.288 3.994 1.00 0.00 C ATOM 1171 O VAL A 78 0.989 11.007 4.867 1.00 0.00 O ATOM 1172 CB VAL A 78 1.710 13.736 3.560 1.00 0.00 C ATOM 1173 CG1 VAL A 78 1.745 14.925 4.507 1.00 0.00 C ATOM 1174 CG2 VAL A 78 2.111 14.155 2.150 1.00 0.00 C ATOM 0 H VAL A 78 3.889 11.907 2.557 1.00 0.00 H new ATOM 0 HA VAL A 78 2.885 12.765 5.122 1.00 0.00 H new ATOM 0 HB VAL A 78 0.687 13.363 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.106 15.718 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.387 14.618 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.768 15.292 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.461 14.962 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.145 14.499 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.014 13.304 1.476 1.00 0.00 H new ATOM 1184 N VAL A 79 1.881 10.630 2.847 1.00 0.00 N ATOM 1185 CA VAL A 79 0.946 9.542 2.533 1.00 0.00 C ATOM 1186 C VAL A 79 1.153 8.284 3.388 1.00 0.00 C ATOM 1187 O VAL A 79 0.188 7.752 3.935 1.00 0.00 O ATOM 1188 CB VAL A 79 1.006 9.161 1.040 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -0.150 8.246 0.678 1.00 0.00 C ATOM 1190 CG2 VAL A 79 0.986 10.407 0.164 1.00 0.00 C ATOM 0 H VAL A 79 2.569 10.822 2.119 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.040 9.938 2.773 1.00 0.00 H new ATOM 0 HB VAL A 79 1.941 8.630 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.092 7.987 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.096 7.337 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.093 8.756 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.029 10.115 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.069 10.966 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.846 11.033 0.402 1.00 0.00 H new ATOM 1200 N GLY A 80 2.391 7.836 3.562 1.00 0.00 N ATOM 1201 CA GLY A 80 2.617 6.682 4.420 1.00 0.00 C ATOM 1202 C GLY A 80 3.733 5.755 3.963 1.00 0.00 C ATOM 1203 O GLY A 80 3.477 4.756 3.292 1.00 0.00 O ATOM 0 H GLY A 80 3.226 8.238 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.846 7.034 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.692 6.109 4.485 1.00 0.00 H new ATOM 1207 N GLU A 81 4.929 5.997 4.489 1.00 0.00 N ATOM 1208 CA GLU A 81 6.083 5.115 4.308 1.00 0.00 C ATOM 1209 C GLU A 81 7.070 5.384 5.451 1.00 0.00 C ATOM 1210 O GLU A 81 6.848 6.317 6.221 1.00 0.00 O ATOM 1211 CB GLU A 81 6.718 5.324 2.916 1.00 0.00 C ATOM 1212 CG GLU A 81 7.924 6.253 2.875 1.00 0.00 C ATOM 1213 CD GLU A 81 8.270 6.687 1.463 1.00 0.00 C ATOM 1214 OE1 GLU A 81 7.340 7.019 0.696 1.00 0.00 O ATOM 1215 OE2 GLU A 81 9.472 6.672 1.100 1.00 0.00 O ATOM 0 H GLU A 81 5.129 6.819 5.059 1.00 0.00 H new ATOM 0 HA GLU A 81 5.778 4.069 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.017 4.352 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.955 5.718 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.722 7.134 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.783 5.749 3.318 1.00 0.00 H new ATOM 1222 N PRO A 82 8.045 4.487 5.708 1.00 0.00 N ATOM 1223 CA PRO A 82 8.955 4.607 6.869 1.00 0.00 C ATOM 1224 C PRO A 82 9.784 5.900 6.850 1.00 0.00 C ATOM 1225 O PRO A 82 9.570 6.769 6.006 1.00 0.00 O ATOM 1226 CB PRO A 82 9.870 3.383 6.730 1.00 0.00 C ATOM 1227 CG PRO A 82 9.076 2.403 5.936 1.00 0.00 C ATOM 1228 CD PRO A 82 8.253 3.220 4.981 1.00 0.00 C ATOM 0 HA PRO A 82 8.403 4.646 7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.801 3.640 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.139 2.977 7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.729 1.714 5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.440 1.800 6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.773 3.379 4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.307 2.732 4.746 1.00 0.00 H new ATOM 1236 N THR A 83 10.751 6.018 7.762 1.00 0.00 N ATOM 1237 CA THR A 83 11.608 7.203 7.817 1.00 0.00 C ATOM 1238 C THR A 83 12.686 7.064 8.905 1.00 0.00 C ATOM 1239 O THR A 83 12.552 6.251 9.823 1.00 0.00 O ATOM 1240 CB THR A 83 10.756 8.482 8.052 1.00 0.00 C ATOM 1241 OG1 THR A 83 11.173 9.525 7.166 1.00 0.00 O ATOM 1242 CG2 THR A 83 10.834 8.980 9.492 1.00 0.00 C ATOM 0 H THR A 83 10.959 5.312 8.468 1.00 0.00 H new ATOM 0 HA THR A 83 12.114 7.294 6.856 1.00 0.00 H new ATOM 0 HB THR A 83 9.720 8.211 7.850 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.754 9.151 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.221 9.875 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.468 8.205 10.165 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.869 9.217 9.740 1.00 0.00 H new ATOM 1250 N LEU A 84 13.753 7.857 8.792 1.00 0.00 N ATOM 1251 CA LEU A 84 14.830 7.859 9.776 1.00 0.00 C ATOM 1252 C LEU A 84 14.752 9.099 10.658 1.00 0.00 C ATOM 1253 O LEU A 84 13.932 9.991 10.429 1.00 0.00 O ATOM 1254 CB LEU A 84 16.190 7.842 9.080 1.00 0.00 C ATOM 1255 CG LEU A 84 16.631 6.487 8.548 1.00 0.00 C ATOM 1256 CD1 LEU A 84 17.097 6.616 7.115 1.00 0.00 C ATOM 1257 CD2 LEU A 84 17.739 5.912 9.415 1.00 0.00 C ATOM 0 H LEU A 84 13.892 8.510 8.021 1.00 0.00 H new ATOM 0 HA LEU A 84 14.718 6.966 10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.164 8.549 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.943 8.201 9.781 1.00 0.00 H new ATOM 0 HG LEU A 84 15.780 5.806 8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.410 5.640 6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.280 6.992 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.937 7.309 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.043 4.942 9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.593 6.590 9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.377 5.791 10.436 1.00 0.00 H new ATOM 1269 N MET A 85 15.689 9.204 11.590 1.00 0.00 N ATOM 1270 CA MET A 85 15.806 10.390 12.425 1.00 0.00 C ATOM 1271 C MET A 85 16.768 11.385 11.785 1.00 0.00 C ATOM 1272 O MET A 85 16.542 12.595 11.817 1.00 0.00 O ATOM 1273 CB MET A 85 16.295 10.014 13.827 1.00 0.00 C ATOM 1274 CG MET A 85 16.276 11.175 14.807 1.00 0.00 C ATOM 1275 SD MET A 85 17.118 10.796 16.356 1.00 0.00 S ATOM 1276 CE MET A 85 17.265 12.431 17.068 1.00 0.00 C ATOM 0 H MET A 85 16.380 8.480 11.787 1.00 0.00 H new ATOM 0 HA MET A 85 14.822 10.851 12.513 1.00 0.00 H new ATOM 0 HB2 MET A 85 15.672 9.209 14.217 1.00 0.00 H new ATOM 0 HB3 MET A 85 17.311 9.625 13.757 1.00 0.00 H new ATOM 0 HG2 MET A 85 16.748 12.042 14.345 1.00 0.00 H new ATOM 0 HG3 MET A 85 15.242 11.449 15.018 1.00 0.00 H new ATOM 0 HE1 MET A 85 17.767 12.364 18.033 1.00 0.00 H new ATOM 0 HE2 MET A 85 17.846 13.068 16.400 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.272 12.859 17.205 1.00 0.00 H new ATOM 1286 N GLY A 86 17.832 10.862 11.186 1.00 0.00 N ATOM 1287 CA GLY A 86 18.808 11.705 10.529 1.00 0.00 C ATOM 1288 C GLY A 86 19.529 10.985 9.408 1.00 0.00 C ATOM 1289 O GLY A 86 20.134 9.933 9.624 1.00 0.00 O ATOM 0 H GLY A 86 18.035 9.863 11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.311 12.589 10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.536 12.053 11.262 1.00 0.00 H new ATOM 1293 N GLY A 87 19.416 11.521 8.203 1.00 0.00 N ATOM 1294 CA GLY A 87 20.024 10.903 7.044 1.00 0.00 C ATOM 1295 C GLY A 87 19.221 11.178 5.799 1.00 0.00 C ATOM 1296 O GLY A 87 18.106 10.695 5.671 1.00 0.00 O ATOM 0 H GLY A 87 18.908 12.383 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 87 21.039 11.281 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.101 9.827 7.200 1.00 0.00 H new ATOM 1300 N GLU A 88 19.725 12.044 4.935 1.00 0.00 N ATOM 1301 CA GLU A 88 18.979 12.440 3.748 1.00 0.00 C ATOM 1302 C GLU A 88 19.301 11.534 2.572 1.00 0.00 C ATOM 1303 O GLU A 88 20.435 11.071 2.429 1.00 0.00 O ATOM 1304 CB GLU A 88 19.281 13.890 3.382 1.00 0.00 C ATOM 1305 CG GLU A 88 19.693 14.733 4.570 1.00 0.00 C ATOM 1306 CD GLU A 88 21.140 15.166 4.494 1.00 0.00 C ATOM 1307 OE1 GLU A 88 22.019 14.288 4.380 1.00 0.00 O ATOM 1308 OE2 GLU A 88 21.405 16.387 4.550 1.00 0.00 O ATOM 0 H GLU A 88 20.640 12.484 5.030 1.00 0.00 H new ATOM 0 HA GLU A 88 17.918 12.345 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.076 13.911 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.399 14.332 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.055 15.615 4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.534 14.166 5.487 1.00 0.00 H new ATOM 1315 N PHE A 89 18.293 11.243 1.760 1.00 0.00 N ATOM 1316 CA PHE A 89 18.457 10.361 0.624 1.00 0.00 C ATOM 1317 C PHE A 89 17.839 10.982 -0.621 1.00 0.00 C ATOM 1318 O PHE A 89 17.617 12.193 -0.660 1.00 0.00 O ATOM 1319 CB PHE A 89 17.845 9.006 0.948 1.00 0.00 C ATOM 1320 CG PHE A 89 18.521 8.362 2.122 1.00 0.00 C ATOM 1321 CD1 PHE A 89 19.766 7.773 1.979 1.00 0.00 C ATOM 1322 CD2 PHE A 89 17.941 8.397 3.376 1.00 0.00 C ATOM 1323 CE1 PHE A 89 20.414 7.220 3.065 1.00 0.00 C ATOM 1324 CE2 PHE A 89 18.588 7.855 4.466 1.00 0.00 C ATOM 1325 CZ PHE A 89 19.823 7.265 4.311 1.00 0.00 C ATOM 0 H PHE A 89 17.348 11.611 1.873 1.00 0.00 H new ATOM 0 HA PHE A 89 19.517 10.215 0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 89 16.783 9.127 1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 89 17.924 8.353 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 89 20.235 7.746 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 89 16.971 8.854 3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 89 21.380 6.754 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 89 18.126 7.893 5.442 1.00 0.00 H new ATOM 0 HZ PHE A 89 20.329 6.838 5.164 1.00 0.00 H new ATOM 1335 N GLY A 90 17.684 10.193 -1.677 1.00 0.00 N ATOM 1336 CA GLY A 90 17.239 10.752 -2.939 1.00 0.00 C ATOM 1337 C GLY A 90 15.914 10.199 -3.417 1.00 0.00 C ATOM 1338 O GLY A 90 15.561 10.350 -4.588 1.00 0.00 O ATOM 0 H GLY A 90 17.856 9.188 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.155 11.834 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.997 10.561 -3.698 1.00 0.00 H new ATOM 1342 N ASP A 91 15.185 9.542 -2.532 1.00 0.00 N ATOM 1343 CA ASP A 91 13.895 8.977 -2.887 1.00 0.00 C ATOM 1344 C ASP A 91 12.774 9.631 -2.097 1.00 0.00 C ATOM 1345 O ASP A 91 12.139 10.572 -2.585 1.00 0.00 O ATOM 1346 CB ASP A 91 13.874 7.458 -2.680 1.00 0.00 C ATOM 1347 CG ASP A 91 14.675 6.983 -1.489 1.00 0.00 C ATOM 1348 OD1 ASP A 91 14.832 7.750 -0.525 1.00 0.00 O ATOM 1349 OD2 ASP A 91 15.115 5.816 -1.505 1.00 0.00 O ATOM 0 H ASP A 91 15.464 9.387 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 91 13.734 9.179 -3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.840 7.133 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.259 6.975 -3.578 1.00 0.00 H new ATOM 1354 N GLU A 92 12.504 9.095 -0.903 1.00 0.00 N ATOM 1355 CA GLU A 92 11.416 9.578 -0.044 1.00 0.00 C ATOM 1356 C GLU A 92 10.058 9.359 -0.718 1.00 0.00 C ATOM 1357 O GLU A 92 9.066 9.998 -0.381 1.00 0.00 O ATOM 1358 CB GLU A 92 11.619 11.056 0.260 1.00 0.00 C ATOM 1359 CG GLU A 92 12.639 11.318 1.363 1.00 0.00 C ATOM 1360 CD GLU A 92 13.700 12.332 0.970 1.00 0.00 C ATOM 1361 OE1 GLU A 92 13.396 13.249 0.176 1.00 0.00 O ATOM 1362 OE2 GLU A 92 14.839 12.233 1.470 1.00 0.00 O ATOM 0 H GLU A 92 13.030 8.317 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 92 11.430 9.014 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.941 11.564 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.663 11.494 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.119 11.673 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.124 10.379 1.630 1.00 0.00 H new ATOM 1369 N ASP A 93 10.102 8.612 -1.803 1.00 0.00 N ATOM 1370 CA ASP A 93 8.958 8.438 -2.699 1.00 0.00 C ATOM 1371 C ASP A 93 8.562 6.964 -2.807 1.00 0.00 C ATOM 1372 O ASP A 93 8.295 6.463 -3.902 1.00 0.00 O ATOM 1373 CB ASP A 93 9.335 8.977 -4.084 1.00 0.00 C ATOM 1374 CG ASP A 93 8.138 9.345 -4.930 1.00 0.00 C ATOM 1375 OD1 ASP A 93 7.147 9.847 -4.374 1.00 0.00 O ATOM 1376 OD2 ASP A 93 8.200 9.167 -6.165 1.00 0.00 O ATOM 0 H ASP A 93 10.935 8.102 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 93 8.105 8.985 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.970 9.855 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.925 8.227 -4.610 1.00 0.00 H new ATOM 1381 N GLU A 94 8.695 6.237 -1.705 1.00 0.00 N ATOM 1382 CA GLU A 94 8.522 4.783 -1.721 1.00 0.00 C ATOM 1383 C GLU A 94 7.066 4.334 -1.720 1.00 0.00 C ATOM 1384 O GLU A 94 6.742 3.330 -2.350 1.00 0.00 O ATOM 1385 CB GLU A 94 9.246 4.127 -0.549 1.00 0.00 C ATOM 1386 CG GLU A 94 9.038 2.622 -0.474 1.00 0.00 C ATOM 1387 CD GLU A 94 9.271 2.071 0.912 1.00 0.00 C ATOM 1388 OE1 GLU A 94 8.570 2.491 1.852 1.00 0.00 O ATOM 1389 OE2 GLU A 94 10.176 1.225 1.060 1.00 0.00 O ATOM 0 H GLU A 94 8.921 6.625 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 94 8.961 4.458 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.313 4.335 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.902 4.580 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.022 2.383 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.713 2.130 -1.174 1.00 0.00 H new ATOM 1396 N ARG A 95 6.245 4.890 -0.853 1.00 0.00 N ATOM 1397 CA ARG A 95 4.931 4.310 -0.665 1.00 0.00 C ATOM 1398 C ARG A 95 3.802 5.336 -0.590 1.00 0.00 C ATOM 1399 O ARG A 95 3.743 6.171 0.316 1.00 0.00 O ATOM 1400 CB ARG A 95 4.944 3.437 0.578 1.00 0.00 C ATOM 1401 CG ARG A 95 4.612 1.983 0.288 1.00 0.00 C ATOM 1402 CD ARG A 95 3.117 1.723 0.337 1.00 0.00 C ATOM 1403 NE ARG A 95 2.480 2.478 1.416 1.00 0.00 N ATOM 1404 CZ ARG A 95 1.861 1.922 2.459 1.00 0.00 C ATOM 1405 NH1 ARG A 95 1.717 0.606 2.540 1.00 0.00 N ATOM 1406 NH2 ARG A 95 1.385 2.690 3.427 1.00 0.00 N ATOM 0 H ARG A 95 6.452 5.712 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 95 4.719 3.712 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.928 3.493 1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.227 3.830 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.995 1.712 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.116 1.344 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.667 1.998 -0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.936 0.658 0.480 1.00 0.00 H new ATOM 0 HE ARG A 95 2.511 3.496 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.082 0.007 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.242 0.193 3.343 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.492 3.703 3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.911 2.269 4.226 1.00 0.00 H new ATOM 1420 N LEU A 96 2.814 5.137 -1.459 1.00 0.00 N ATOM 1421 CA LEU A 96 1.582 5.909 -1.447 1.00 0.00 C ATOM 1422 C LEU A 96 0.399 4.954 -1.343 1.00 0.00 C ATOM 1423 O LEU A 96 0.507 3.795 -1.733 1.00 0.00 O ATOM 1424 CB LEU A 96 1.478 6.752 -2.721 1.00 0.00 C ATOM 1425 CG LEU A 96 0.579 6.186 -3.820 1.00 0.00 C ATOM 1426 CD1 LEU A 96 -0.713 6.980 -3.903 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.298 6.193 -5.161 1.00 0.00 C ATOM 0 H LEU A 96 2.849 4.431 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 96 1.579 6.583 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.110 7.742 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.480 6.885 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 96 0.337 5.153 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.344 6.567 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.237 6.922 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.486 8.022 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.640 5.786 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.571 7.215 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.199 5.583 -5.094 1.00 0.00 H new ATOM 1439 N ILE A 97 -0.738 5.434 -0.855 1.00 0.00 N ATOM 1440 CA ILE A 97 -1.930 4.606 -0.773 1.00 0.00 C ATOM 1441 C ILE A 97 -3.174 5.454 -0.663 1.00 0.00 C ATOM 1442 O ILE A 97 -3.205 6.447 0.066 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.924 3.633 0.425 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -0.803 3.969 1.406 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -1.808 2.200 -0.068 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -1.266 4.771 2.604 1.00 0.00 C ATOM 0 H ILE A 97 -0.858 6.387 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.930 4.024 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.867 3.741 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.346 3.043 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.028 4.529 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.805 1.521 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.655 1.968 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.881 2.082 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.417 4.973 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.696 5.714 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.019 4.205 3.152 1.00 0.00 H new ATOM 1458 N THR A 98 -4.232 4.970 -1.269 1.00 0.00 N ATOM 1459 CA THR A 98 -5.523 5.568 -1.118 1.00 0.00 C ATOM 1460 C THR A 98 -6.476 4.513 -0.557 1.00 0.00 C ATOM 1461 O THR A 98 -6.522 3.379 -1.052 1.00 0.00 O ATOM 1462 CB THR A 98 -6.016 6.140 -2.469 1.00 0.00 C ATOM 1463 OG1 THR A 98 -6.042 7.570 -2.412 1.00 0.00 O ATOM 1464 CG2 THR A 98 -7.387 5.617 -2.846 1.00 0.00 C ATOM 0 H THR A 98 -4.215 4.152 -1.878 1.00 0.00 H new ATOM 0 HA THR A 98 -5.478 6.407 -0.424 1.00 0.00 H new ATOM 0 HB THR A 98 -5.316 5.811 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.353 7.926 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.690 6.046 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.351 4.531 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.107 5.897 -2.077 1.00 0.00 H new ATOM 1472 N ARG A 99 -7.138 4.844 0.541 1.00 0.00 N ATOM 1473 CA ARG A 99 -8.045 3.912 1.187 1.00 0.00 C ATOM 1474 C ARG A 99 -9.337 3.852 0.396 1.00 0.00 C ATOM 1475 O ARG A 99 -9.999 4.875 0.197 1.00 0.00 O ATOM 1476 CB ARG A 99 -8.344 4.340 2.627 1.00 0.00 C ATOM 1477 CG ARG A 99 -7.126 4.802 3.407 1.00 0.00 C ATOM 1478 CD ARG A 99 -6.484 3.660 4.184 1.00 0.00 C ATOM 1479 NE ARG A 99 -7.467 2.800 4.847 1.00 0.00 N ATOM 1480 CZ ARG A 99 -7.186 1.590 5.328 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -5.939 1.124 5.292 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -8.147 0.861 5.886 1.00 0.00 N ATOM 0 H ARG A 99 -7.063 5.751 1.002 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.574 2.930 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.077 5.147 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.803 3.504 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.396 5.230 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.416 5.594 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.882 3.058 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.806 4.072 4.931 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.421 3.147 4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.193 1.694 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.730 0.197 5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.097 1.228 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.935 -0.066 6.255 1.00 0.00 H new ATOM 1496 N LEU A 100 -9.671 2.683 -0.112 1.00 0.00 N ATOM 1497 CA LEU A 100 -10.870 2.549 -0.909 1.00 0.00 C ATOM 1498 C LEU A 100 -11.891 1.672 -0.229 1.00 0.00 C ATOM 1499 O LEU A 100 -11.592 0.931 0.710 1.00 0.00 O ATOM 1500 CB LEU A 100 -10.570 1.999 -2.293 1.00 0.00 C ATOM 1501 CG LEU A 100 -11.364 2.653 -3.424 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -10.771 4.008 -3.772 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -11.389 1.757 -4.647 1.00 0.00 C ATOM 0 H LEU A 100 -9.136 1.823 0.011 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.282 3.552 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.506 2.122 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.774 0.928 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.389 2.799 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.347 4.461 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.803 4.655 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.737 3.881 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.959 2.240 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.369 1.579 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.857 0.806 -4.392 1.00 0.00 H new ATOM 1515 N GLU A 101 -13.091 1.761 -0.741 1.00 0.00 N ATOM 1516 CA GLU A 101 -14.228 1.028 -0.221 1.00 0.00 C ATOM 1517 C GLU A 101 -14.773 0.106 -1.300 1.00 0.00 C ATOM 1518 O GLU A 101 -14.868 0.504 -2.462 1.00 0.00 O ATOM 1519 CB GLU A 101 -15.309 2.016 0.234 1.00 0.00 C ATOM 1520 CG GLU A 101 -15.039 3.444 -0.225 1.00 0.00 C ATOM 1521 CD GLU A 101 -15.605 4.502 0.700 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -14.899 4.915 1.645 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -16.745 4.952 0.463 1.00 0.00 O ATOM 0 H GLU A 101 -13.315 2.351 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.919 0.426 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.276 1.692 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -15.377 1.996 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.962 3.590 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.461 3.582 -1.220 1.00 0.00 H new ATOM 1530 N ASN A 102 -15.036 -1.143 -0.940 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.510 -2.129 -1.906 1.00 0.00 C ATOM 1532 C ASN A 102 -16.851 -1.704 -2.503 1.00 0.00 C ATOM 1533 O ASN A 102 -16.929 -1.339 -3.677 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.634 -3.505 -1.250 1.00 0.00 C ATOM 1535 CG ASN A 102 -15.324 -4.644 -2.207 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.576 -4.555 -3.409 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.784 -5.730 -1.677 1.00 0.00 N ATOM 0 H ASN A 102 -14.930 -1.498 0.010 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.780 -2.191 -2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.957 -3.558 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -16.645 -3.628 -0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.562 -6.530 -2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.590 -5.767 -0.676 1.00 0.00 H new ATOM 1544 N THR A 103 -17.906 -1.736 -1.697 1.00 0.00 N ATOM 1545 CA THR A 103 -19.223 -1.341 -2.164 1.00 0.00 C ATOM 1546 C THR A 103 -19.981 -0.544 -1.096 1.00 0.00 C ATOM 1547 O THR A 103 -19.682 0.624 -0.849 1.00 0.00 O ATOM 1548 CB THR A 103 -20.050 -2.572 -2.570 1.00 0.00 C ATOM 1549 OG1 THR A 103 -19.425 -3.772 -2.090 1.00 0.00 O ATOM 1550 CG2 THR A 103 -20.221 -2.636 -4.071 1.00 0.00 C ATOM 0 H THR A 103 -17.872 -2.031 -0.721 1.00 0.00 H new ATOM 0 HA THR A 103 -19.078 -0.702 -3.035 1.00 0.00 H new ATOM 0 HB THR A 103 -21.038 -2.483 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 103 -19.757 -4.540 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 103 -20.809 -3.515 -4.333 1.00 0.00 H new ATOM 0 HG22 THR A 103 -20.735 -1.739 -4.417 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.242 -2.700 -4.546 1.00 0.00 H new ATOM 1558 N GLN A 104 -20.940 -1.200 -0.444 1.00 0.00 N ATOM 1559 CA GLN A 104 -21.757 -0.588 0.598 1.00 0.00 C ATOM 1560 C GLN A 104 -22.411 -1.693 1.424 1.00 0.00 C ATOM 1561 O GLN A 104 -23.339 -2.341 0.957 1.00 0.00 O ATOM 1562 CB GLN A 104 -22.828 0.337 -0.004 1.00 0.00 C ATOM 1563 CG GLN A 104 -23.230 -0.011 -1.430 1.00 0.00 C ATOM 1564 CD GLN A 104 -23.493 1.220 -2.278 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -22.564 1.920 -2.686 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -24.758 1.492 -2.546 1.00 0.00 N ATOM 0 H GLN A 104 -21.172 -2.176 -0.626 1.00 0.00 H new ATOM 0 HA GLN A 104 -21.119 0.024 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -23.715 0.305 0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -22.458 1.362 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -22.441 -0.604 -1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -24.125 -0.632 -1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -25.497 0.886 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -24.996 2.308 -3.110 1.00 0.00 H new ATOM 1575 N PHE A 105 -21.747 -2.044 2.526 1.00 0.00 N ATOM 1576 CA PHE A 105 -22.068 -3.240 3.327 1.00 0.00 C ATOM 1577 C PHE A 105 -23.558 -3.563 3.402 1.00 0.00 C ATOM 1578 O PHE A 105 -23.942 -4.707 3.158 1.00 0.00 O ATOM 1579 CB PHE A 105 -21.511 -3.103 4.743 1.00 0.00 C ATOM 1580 CG PHE A 105 -21.366 -4.419 5.451 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -22.467 -5.029 6.028 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -20.132 -5.047 5.540 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -22.342 -6.240 6.680 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -20.003 -6.257 6.191 1.00 0.00 C ATOM 1585 CZ PHE A 105 -21.109 -6.855 6.762 1.00 0.00 C ATOM 0 H PHE A 105 -20.964 -1.506 2.896 1.00 0.00 H new ATOM 0 HA PHE A 105 -21.593 -4.071 2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -20.539 -2.613 4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -22.168 -2.456 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -23.434 -4.552 5.967 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -19.263 -4.584 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -23.209 -6.706 7.126 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -19.037 -6.736 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 105 -21.009 -7.802 7.272 1.00 0.00 H new ATOM 1595 N ASP A 106 -24.357 -2.593 3.840 1.00 0.00 N ATOM 1596 CA ASP A 106 -25.800 -2.781 4.048 1.00 0.00 C ATOM 1597 C ASP A 106 -26.420 -3.678 2.988 1.00 0.00 C ATOM 1598 O ASP A 106 -27.118 -4.643 3.306 1.00 0.00 O ATOM 1599 CB ASP A 106 -26.517 -1.436 4.037 1.00 0.00 C ATOM 1600 CG ASP A 106 -27.458 -1.271 5.213 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -28.641 -1.648 5.090 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -27.020 -0.757 6.266 1.00 0.00 O ATOM 0 H ASP A 106 -24.028 -1.653 4.062 1.00 0.00 H new ATOM 0 HA ASP A 106 -25.919 -3.263 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -25.779 -0.634 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -27.079 -1.335 3.109 1.00 0.00 H new ATOM 1607 N ALA A 107 -26.124 -3.385 1.733 1.00 0.00 N ATOM 1608 CA ALA A 107 -26.632 -4.187 0.631 1.00 0.00 C ATOM 1609 C ALA A 107 -25.502 -4.701 -0.259 1.00 0.00 C ATOM 1610 O ALA A 107 -25.712 -4.983 -1.437 1.00 0.00 O ATOM 1611 CB ALA A 107 -27.627 -3.380 -0.186 1.00 0.00 C ATOM 0 H ALA A 107 -25.536 -2.600 1.451 1.00 0.00 H new ATOM 0 HA ALA A 107 -27.137 -5.055 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -28.001 -3.989 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -28.459 -3.078 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -27.135 -2.493 -0.586 1.00 0.00 H new ATOM 1617 N ALA A 108 -24.310 -4.846 0.316 1.00 0.00 N ATOM 1618 CA ALA A 108 -23.147 -5.330 -0.425 1.00 0.00 C ATOM 1619 C ALA A 108 -21.985 -5.640 0.524 1.00 0.00 C ATOM 1620 O ALA A 108 -22.185 -6.253 1.572 1.00 0.00 O ATOM 1621 CB ALA A 108 -22.728 -4.318 -1.483 1.00 0.00 C ATOM 0 H ALA A 108 -24.124 -4.634 1.296 1.00 0.00 H new ATOM 0 HA ALA A 108 -23.425 -6.256 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -21.861 -4.696 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -23.550 -4.159 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -22.473 -3.374 -1.002 1.00 0.00 H new ATOM 1627 N ASN A 109 -20.765 -5.256 0.138 1.00 0.00 N ATOM 1628 CA ASN A 109 -19.576 -5.576 0.930 1.00 0.00 C ATOM 1629 C ASN A 109 -18.689 -4.345 1.143 1.00 0.00 C ATOM 1630 O ASN A 109 -17.468 -4.413 1.026 1.00 0.00 O ATOM 1631 CB ASN A 109 -18.772 -6.689 0.250 1.00 0.00 C ATOM 1632 CG ASN A 109 -17.843 -7.412 1.210 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -17.856 -7.166 2.420 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -17.040 -8.319 0.677 1.00 0.00 N ATOM 0 H ASN A 109 -20.576 -4.726 -0.713 1.00 0.00 H new ATOM 0 HA ASN A 109 -19.913 -5.918 1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -19.460 -7.408 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -18.186 -6.263 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -16.400 -8.846 1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -17.061 -8.491 -0.328 1.00 0.00 H new ATOM 1641 N GLY A 110 -19.307 -3.227 1.494 1.00 0.00 N ATOM 1642 CA GLY A 110 -18.549 -2.023 1.793 1.00 0.00 C ATOM 1643 C GLY A 110 -18.461 -1.773 3.285 1.00 0.00 C ATOM 1644 O GLY A 110 -18.526 -2.712 4.068 1.00 0.00 O ATOM 0 H GLY A 110 -20.319 -3.129 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -17.545 -2.113 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -19.018 -1.167 1.308 1.00 0.00 H new ATOM 1648 N ILE A 111 -18.424 -0.513 3.688 1.00 0.00 N ATOM 1649 CA ILE A 111 -18.413 -0.176 5.107 1.00 0.00 C ATOM 1650 C ILE A 111 -19.826 0.084 5.597 1.00 0.00 C ATOM 1651 O ILE A 111 -20.363 -0.662 6.416 1.00 0.00 O ATOM 1652 CB ILE A 111 -17.540 1.060 5.413 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -16.712 1.470 4.194 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -16.635 0.783 6.603 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -16.974 2.892 3.746 1.00 0.00 C ATOM 0 H ILE A 111 -18.401 0.290 3.059 1.00 0.00 H new ATOM 0 HA ILE A 111 -17.983 -1.031 5.629 1.00 0.00 H new ATOM 0 HB ILE A 111 -18.203 1.889 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -15.653 1.359 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -16.929 0.790 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -16.025 1.662 6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -17.244 0.552 7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -15.987 -0.064 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -16.356 3.120 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -18.026 3.002 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -16.730 3.579 4.556 1.00 0.00 H new ATOM 1667 N ASP A 112 -20.456 1.069 4.994 1.00 0.00 N ATOM 1668 CA ASP A 112 -21.854 1.376 5.258 1.00 0.00 C ATOM 1669 C ASP A 112 -22.576 1.554 3.932 1.00 0.00 C ATOM 1670 O ASP A 112 -21.976 1.373 2.877 1.00 0.00 O ATOM 1671 CB ASP A 112 -21.983 2.642 6.113 1.00 0.00 C ATOM 1672 CG ASP A 112 -23.226 2.644 6.991 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -24.241 2.024 6.605 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -23.194 3.271 8.070 1.00 0.00 O ATOM 0 H ASP A 112 -20.018 1.682 4.306 1.00 0.00 H new ATOM 0 HA ASP A 112 -22.305 0.554 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -21.099 2.739 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -22.005 3.514 5.460 1.00 0.00 H new ATOM 1679 N ASP A 113 -23.844 1.908 3.978 1.00 0.00 N ATOM 1680 CA ASP A 113 -24.620 2.107 2.765 1.00 0.00 C ATOM 1681 C ASP A 113 -24.476 3.536 2.270 1.00 0.00 C ATOM 1682 O ASP A 113 -24.400 4.472 3.065 1.00 0.00 O ATOM 1683 CB ASP A 113 -26.092 1.791 3.007 1.00 0.00 C ATOM 1684 CG ASP A 113 -26.828 1.484 1.722 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -26.424 0.545 1.008 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -27.818 2.183 1.418 1.00 0.00 O ATOM 0 H ASP A 113 -24.362 2.065 4.842 1.00 0.00 H new ATOM 0 HA ASP A 113 -24.236 1.427 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -26.173 0.939 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -26.567 2.638 3.503 1.00 0.00 H new ATOM 1691 N GLU A 114 -24.415 3.697 0.962 1.00 0.00 N ATOM 1692 CA GLU A 114 -24.279 5.009 0.357 1.00 0.00 C ATOM 1693 C GLU A 114 -25.167 5.101 -0.874 1.00 0.00 C ATOM 1694 O GLU A 114 -24.640 5.318 -1.985 1.00 0.00 O ATOM 1695 CB GLU A 114 -22.817 5.276 -0.012 1.00 0.00 C ATOM 1696 CG GLU A 114 -22.415 6.741 0.088 1.00 0.00 C ATOM 1697 CD GLU A 114 -22.318 7.229 1.519 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -21.282 6.982 2.173 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -23.275 7.863 2.001 1.00 0.00 O ATOM 1700 OXT GLU A 114 -26.393 4.924 -0.730 1.00 0.00 O ATOM 0 H GLU A 114 -24.458 2.929 0.293 1.00 0.00 H new ATOM 0 HA GLU A 114 -24.593 5.767 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -22.174 4.687 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -22.640 4.929 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.453 6.883 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -23.142 7.350 -0.450 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -3.657 -9.706 -1.203 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.746 -4.439 3.933 1.00 0.00 ZN