USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.4) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 43 TYR OH : rot 50:sc= -1.14 USER MOD Set 2.2: A 63 GLN : amide:sc= -1.27 X(o=-2.4,f=-2.6) USER MOD Set 3.1: A 40 CYS SG : rot 180:sc= 0.859 USER MOD Set 3.2: A 59 TYR OH : rot 59:sc= 0.0479 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0947 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 41:sc= 0.153 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.44! K(o=-3.4!,f=-1.5) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.17) USER MOD Single : A 35 CYS SG : rot 180:sc= -4.41 USER MOD Single : A 36 MET CE :methyl -163:sc= -0.721 (180deg=-1.32) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 152:sc= -1.73 (180deg=-2.46!) USER MOD Single : A 46 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.049) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.0237 (180deg=-0.275) USER MOD Single : A 50 MET CE :methyl -148:sc= -0.453 (180deg=-1.82!) USER MOD Single : A 51 ASN : amide:sc= -0.595 X(o=-0.6,f=-0.37) USER MOD Single : A 53 ASN : amide:sc= -0.885 K(o=-0.88,f=-0.066) USER MOD Single : A 54 SER OG : rot -73:sc= -0.145 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 76 CYS SG : rot -30:sc= -9.43! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 84 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.18) USER MOD Single : A 85 THR OG1 : rot -131:sc= 0.504 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc=-0.00876 X(o=-0.0088,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= 0.516 (180deg=-0.0728) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.08) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.28 K(o=-0.28,f=-3!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.269 -1.938 31.760 1.00 0.00 N ATOM 2 CA GLY A 1 13.454 -0.740 30.958 1.00 0.00 C ATOM 3 C GLY A 1 13.150 -1.016 29.484 1.00 0.00 C ATOM 4 O GLY A 1 13.075 -2.171 29.067 1.00 0.00 O ATOM 0 H1 GLY A 1 12.431 -1.824 32.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.135 -2.758 31.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.108 -2.090 32.355 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.802 0.052 31.325 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.479 -0.383 31.061 1.00 0.00 H new ATOM 8 N SER A 2 12.982 0.064 28.735 1.00 0.00 N ATOM 9 CA SER A 2 12.687 -0.047 27.317 1.00 0.00 C ATOM 10 C SER A 2 13.330 1.115 26.556 1.00 0.00 C ATOM 11 O SER A 2 12.949 2.269 26.741 1.00 0.00 O ATOM 12 CB SER A 2 11.178 -0.073 27.068 1.00 0.00 C ATOM 13 OG SER A 2 10.549 -1.176 27.716 1.00 0.00 O ATOM 0 H SER A 2 13.045 1.020 29.084 1.00 0.00 H new ATOM 0 HA SER A 2 13.104 -0.986 26.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.736 0.857 27.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.988 -0.126 25.996 1.00 0.00 H new ATOM 0 HG SER A 2 9.586 -1.156 27.534 1.00 0.00 H new ATOM 19 N GLU A 3 14.296 0.768 25.717 1.00 0.00 N ATOM 20 CA GLU A 3 14.995 1.768 24.928 1.00 0.00 C ATOM 21 C GLU A 3 15.188 1.272 23.493 1.00 0.00 C ATOM 22 O GLU A 3 15.729 0.190 23.274 1.00 0.00 O ATOM 23 CB GLU A 3 16.337 2.130 25.567 1.00 0.00 C ATOM 24 CG GLU A 3 16.744 3.562 25.214 1.00 0.00 C ATOM 25 CD GLU A 3 17.681 4.143 26.275 1.00 0.00 C ATOM 26 OE1 GLU A 3 18.857 3.719 26.286 1.00 0.00 O ATOM 27 OE2 GLU A 3 17.201 4.998 27.050 1.00 0.00 O ATOM 0 H GLU A 3 14.610 -0.191 25.567 1.00 0.00 H new ATOM 0 HA GLU A 3 14.386 2.672 24.901 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.269 2.024 26.650 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.105 1.435 25.227 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.237 3.575 24.242 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.854 4.186 25.128 1.00 0.00 H new ATOM 34 N GLY A 4 14.733 2.088 22.553 1.00 0.00 N ATOM 35 CA GLY A 4 14.849 1.746 21.146 1.00 0.00 C ATOM 36 C GLY A 4 13.615 2.207 20.367 1.00 0.00 C ATOM 37 O GLY A 4 13.147 3.330 20.546 1.00 0.00 O ATOM 0 H GLY A 4 14.284 2.985 22.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.742 2.210 20.728 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.970 0.668 21.039 1.00 0.00 H new ATOM 41 N ALA A 5 13.123 1.315 19.520 1.00 0.00 N ATOM 42 CA ALA A 5 11.952 1.615 18.713 1.00 0.00 C ATOM 43 C ALA A 5 12.187 2.919 17.947 1.00 0.00 C ATOM 44 O ALA A 5 12.023 4.006 18.499 1.00 0.00 O ATOM 45 CB ALA A 5 10.716 1.682 19.612 1.00 0.00 C ATOM 0 H ALA A 5 13.514 0.384 19.375 1.00 0.00 H new ATOM 0 HA ALA A 5 11.779 0.828 17.979 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.838 1.907 19.007 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.577 0.723 20.111 1.00 0.00 H new ATOM 0 HB3 ALA A 5 10.852 2.464 20.359 1.00 0.00 H new ATOM 51 N ALA A 6 12.568 2.767 16.687 1.00 0.00 N ATOM 52 CA ALA A 6 12.827 3.918 15.839 1.00 0.00 C ATOM 53 C ALA A 6 12.330 3.626 14.423 1.00 0.00 C ATOM 54 O ALA A 6 12.945 2.851 13.692 1.00 0.00 O ATOM 55 CB ALA A 6 14.320 4.254 15.876 1.00 0.00 C ATOM 0 H ALA A 6 12.704 1.864 16.233 1.00 0.00 H new ATOM 0 HA ALA A 6 12.287 4.792 16.203 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.514 5.117 15.240 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.616 4.483 16.900 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.894 3.401 15.515 1.00 0.00 H new ATOM 61 N THR A 7 11.220 4.262 14.077 1.00 0.00 N ATOM 62 CA THR A 7 10.632 4.079 12.760 1.00 0.00 C ATOM 63 C THR A 7 10.537 5.420 12.029 1.00 0.00 C ATOM 64 O THR A 7 10.430 6.470 12.660 1.00 0.00 O ATOM 65 CB THR A 7 9.280 3.386 12.938 1.00 0.00 C ATOM 66 OG1 THR A 7 9.603 2.152 13.572 1.00 0.00 O ATOM 67 CG2 THR A 7 8.657 2.968 11.605 1.00 0.00 C ATOM 0 H THR A 7 10.712 4.904 14.685 1.00 0.00 H new ATOM 0 HA THR A 7 11.257 3.445 12.131 1.00 0.00 H new ATOM 0 HB THR A 7 8.597 4.053 13.465 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.782 1.639 13.727 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.699 2.481 11.788 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.503 3.850 10.983 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.324 2.275 11.093 1.00 0.00 H new ATOM 75 N MET A 8 10.578 5.340 10.707 1.00 0.00 N ATOM 76 CA MET A 8 10.497 6.534 9.882 1.00 0.00 C ATOM 77 C MET A 8 9.096 6.697 9.289 1.00 0.00 C ATOM 78 O MET A 8 8.353 5.724 9.165 1.00 0.00 O ATOM 79 CB MET A 8 11.524 6.444 8.751 1.00 0.00 C ATOM 80 CG MET A 8 12.951 6.505 9.300 1.00 0.00 C ATOM 81 SD MET A 8 13.945 7.594 8.294 1.00 0.00 S ATOM 82 CE MET A 8 15.044 6.404 7.543 1.00 0.00 C ATOM 0 H MET A 8 10.666 4.467 10.187 1.00 0.00 H new ATOM 0 HA MET A 8 10.709 7.401 10.508 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.382 5.515 8.199 1.00 0.00 H new ATOM 0 HB3 MET A 8 11.366 7.260 8.046 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.938 6.859 10.331 1.00 0.00 H new ATOM 0 HG3 MET A 8 13.388 5.507 9.311 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.738 6.918 6.878 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.604 5.885 8.321 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.462 5.681 6.971 1.00 0.00 H new ATOM 92 N SER A 9 8.778 7.934 8.937 1.00 0.00 N ATOM 93 CA SER A 9 7.479 8.236 8.359 1.00 0.00 C ATOM 94 C SER A 9 7.649 8.738 6.924 1.00 0.00 C ATOM 95 O SER A 9 8.201 9.814 6.700 1.00 0.00 O ATOM 96 CB SER A 9 6.731 9.274 9.199 1.00 0.00 C ATOM 97 OG SER A 9 7.547 10.402 9.505 1.00 0.00 O ATOM 0 H SER A 9 9.397 8.738 9.041 1.00 0.00 H new ATOM 0 HA SER A 9 6.887 7.321 8.349 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.843 9.604 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.389 8.812 10.125 1.00 0.00 H new ATOM 0 HG SER A 9 8.075 10.647 8.717 1.00 0.00 H new ATOM 103 N HIS A 10 7.164 7.934 5.989 1.00 0.00 N ATOM 104 CA HIS A 10 7.255 8.283 4.581 1.00 0.00 C ATOM 105 C HIS A 10 5.853 8.320 3.970 1.00 0.00 C ATOM 106 O HIS A 10 5.374 9.381 3.571 1.00 0.00 O ATOM 107 CB HIS A 10 8.198 7.328 3.845 1.00 0.00 C ATOM 108 CG HIS A 10 9.650 7.738 3.897 1.00 0.00 C ATOM 109 ND1 HIS A 10 10.363 8.117 2.773 1.00 0.00 N ATOM 110 CD2 HIS A 10 10.515 7.824 4.949 1.00 0.00 C ATOM 111 CE1 HIS A 10 11.600 8.415 3.143 1.00 0.00 C ATOM 112 NE2 HIS A 10 11.692 8.232 4.491 1.00 0.00 N ATOM 0 H HIS A 10 6.707 7.042 6.179 1.00 0.00 H new ATOM 0 HA HIS A 10 7.685 9.279 4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.097 6.331 4.274 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.888 7.259 2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.282 7.598 5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.396 8.745 2.491 1.00 0.00 H new ATOM 0 HE2 HIS A 10 12.528 8.384 5.055 1.00 0.00 H new ATOM 120 N THR A 11 5.234 7.150 3.916 1.00 0.00 N ATOM 121 CA THR A 11 3.897 7.036 3.360 1.00 0.00 C ATOM 122 C THR A 11 2.846 7.197 4.461 1.00 0.00 C ATOM 123 O THR A 11 3.032 6.715 5.577 1.00 0.00 O ATOM 124 CB THR A 11 3.804 5.698 2.623 1.00 0.00 C ATOM 125 OG1 THR A 11 4.860 5.754 1.669 1.00 0.00 O ATOM 126 CG2 THR A 11 2.538 5.586 1.771 1.00 0.00 C ATOM 0 H THR A 11 5.634 6.273 4.248 1.00 0.00 H new ATOM 0 HA THR A 11 3.697 7.833 2.644 1.00 0.00 H new ATOM 0 HB THR A 11 3.828 4.883 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.874 4.924 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.521 4.618 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.660 5.679 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.530 6.381 1.025 1.00 0.00 H new ATOM 134 N ILE A 12 1.765 7.877 4.108 1.00 0.00 N ATOM 135 CA ILE A 12 0.685 8.108 5.052 1.00 0.00 C ATOM 136 C ILE A 12 -0.545 7.309 4.618 1.00 0.00 C ATOM 137 O ILE A 12 -0.989 7.417 3.476 1.00 0.00 O ATOM 138 CB ILE A 12 0.421 9.607 5.207 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.619 10.312 5.846 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.873 9.858 5.985 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.643 11.797 5.478 1.00 0.00 C ATOM 0 H ILE A 12 1.614 8.275 3.181 1.00 0.00 H new ATOM 0 HA ILE A 12 0.963 7.752 6.044 1.00 0.00 H new ATOM 0 HB ILE A 12 0.288 10.035 4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.574 10.203 6.930 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.543 9.837 5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.037 10.931 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.711 9.409 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.793 9.413 6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.505 12.274 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.713 11.902 4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.729 12.274 5.831 1.00 0.00 H new ATOM 153 N LEU A 13 -1.061 6.523 5.552 1.00 0.00 N ATOM 154 CA LEU A 13 -2.231 5.706 5.281 1.00 0.00 C ATOM 155 C LEU A 13 -3.354 6.095 6.244 1.00 0.00 C ATOM 156 O LEU A 13 -3.161 6.100 7.459 1.00 0.00 O ATOM 157 CB LEU A 13 -1.869 4.220 5.326 1.00 0.00 C ATOM 158 CG LEU A 13 -2.820 3.275 4.589 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.853 2.679 5.548 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.479 3.978 3.401 1.00 0.00 C ATOM 0 H LEU A 13 -0.690 6.435 6.498 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.599 5.890 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.870 4.097 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.818 3.910 6.370 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.236 2.446 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.517 2.011 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.342 2.119 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.437 3.482 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.150 3.284 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.047 4.838 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.710 4.313 2.705 1.00 0.00 H new ATOM 172 N LEU A 14 -4.503 6.411 5.665 1.00 0.00 N ATOM 173 CA LEU A 14 -5.657 6.801 6.458 1.00 0.00 C ATOM 174 C LEU A 14 -6.853 5.927 6.072 1.00 0.00 C ATOM 175 O LEU A 14 -6.732 5.039 5.231 1.00 0.00 O ATOM 176 CB LEU A 14 -5.922 8.301 6.318 1.00 0.00 C ATOM 177 CG LEU A 14 -5.308 8.979 5.091 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.785 9.057 5.212 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.745 8.280 3.802 1.00 0.00 C ATOM 0 H LEU A 14 -4.660 6.405 4.657 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.466 6.633 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.000 8.459 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.546 8.801 7.211 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.680 10.002 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.374 9.543 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.519 9.633 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.375 8.051 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.295 8.782 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.421 7.239 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.831 8.320 3.716 1.00 0.00 H new ATOM 191 N VAL A 15 -7.981 6.211 6.707 1.00 0.00 N ATOM 192 CA VAL A 15 -9.198 5.462 6.442 1.00 0.00 C ATOM 193 C VAL A 15 -10.410 6.349 6.730 1.00 0.00 C ATOM 194 O VAL A 15 -10.496 6.963 7.792 1.00 0.00 O ATOM 195 CB VAL A 15 -9.200 4.164 7.252 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.601 3.851 7.781 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.655 2.999 6.423 1.00 0.00 C ATOM 0 H VAL A 15 -8.078 6.949 7.404 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.249 5.174 5.392 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.541 4.303 8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.575 2.924 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.937 4.665 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.290 3.741 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.667 2.089 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.277 2.860 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.632 3.218 6.117 1.00 0.00 H new ATOM 207 N GLN A 16 -11.318 6.387 5.765 1.00 0.00 N ATOM 208 CA GLN A 16 -12.522 7.189 5.902 1.00 0.00 C ATOM 209 C GLN A 16 -13.749 6.382 5.473 1.00 0.00 C ATOM 210 O GLN A 16 -14.073 6.322 4.288 1.00 0.00 O ATOM 211 CB GLN A 16 -12.411 8.486 5.099 1.00 0.00 C ATOM 212 CG GLN A 16 -13.655 9.357 5.289 1.00 0.00 C ATOM 213 CD GLN A 16 -13.827 9.754 6.757 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.191 10.667 7.258 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.719 9.019 7.415 1.00 0.00 N ATOM 0 H GLN A 16 -11.244 5.875 4.886 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.638 7.459 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.525 9.038 5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.283 8.254 4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.574 10.253 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.538 8.816 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.216 8.269 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.906 9.205 8.400 1.00 0.00 H new ATOM 224 N PRO A 17 -14.414 5.765 6.486 1.00 0.00 N ATOM 225 CA PRO A 17 -15.598 4.964 6.226 1.00 0.00 C ATOM 226 C PRO A 17 -16.807 5.853 5.927 1.00 0.00 C ATOM 227 O PRO A 17 -17.508 5.641 4.939 1.00 0.00 O ATOM 228 CB PRO A 17 -15.780 4.114 7.472 1.00 0.00 C ATOM 229 CG PRO A 17 -14.974 4.798 8.565 1.00 0.00 C ATOM 230 CD PRO A 17 -14.058 5.814 7.901 1.00 0.00 C ATOM 0 HA PRO A 17 -15.494 4.334 5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.832 4.045 7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.427 3.096 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.637 5.289 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.391 4.066 9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.209 6.812 8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.009 5.561 8.054 1.00 0.00 H new ATOM 238 N THR A 18 -17.013 6.829 6.798 1.00 0.00 N ATOM 239 CA THR A 18 -18.125 7.751 6.640 1.00 0.00 C ATOM 240 C THR A 18 -17.611 9.158 6.328 1.00 0.00 C ATOM 241 O THR A 18 -16.542 9.315 5.739 1.00 0.00 O ATOM 242 CB THR A 18 -18.979 7.684 7.908 1.00 0.00 C ATOM 243 OG1 THR A 18 -18.122 8.184 8.931 1.00 0.00 O ATOM 244 CG2 THR A 18 -19.275 6.246 8.339 1.00 0.00 C ATOM 0 H THR A 18 -16.429 7.002 7.616 1.00 0.00 H new ATOM 0 HA THR A 18 -18.752 7.472 5.793 1.00 0.00 H new ATOM 0 HB THR A 18 -19.917 8.213 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.597 8.177 9.788 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.884 6.255 9.243 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.814 5.731 7.544 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.338 5.726 8.538 1.00 0.00 H new ATOM 252 N LYS A 19 -18.396 10.144 6.735 1.00 0.00 N ATOM 253 CA LYS A 19 -18.034 11.532 6.506 1.00 0.00 C ATOM 254 C LYS A 19 -17.609 12.169 7.831 1.00 0.00 C ATOM 255 O LYS A 19 -16.651 12.940 7.874 1.00 0.00 O ATOM 256 CB LYS A 19 -19.172 12.275 5.804 1.00 0.00 C ATOM 257 CG LYS A 19 -18.875 13.773 5.711 1.00 0.00 C ATOM 258 CD LYS A 19 -18.718 14.211 4.254 1.00 0.00 C ATOM 259 CE LYS A 19 -17.312 13.903 3.738 1.00 0.00 C ATOM 260 NZ LYS A 19 -17.125 14.460 2.379 1.00 0.00 N ATOM 0 H LYS A 19 -19.282 10.009 7.222 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.180 11.596 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.315 11.866 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.103 12.119 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.682 14.337 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.964 14.002 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.456 13.701 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.915 15.280 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.569 14.324 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.153 12.825 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.165 14.242 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.822 14.039 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.257 15.491 2.405 1.00 0.00 H new ATOM 274 N ARG A 20 -18.342 11.823 8.879 1.00 0.00 N ATOM 275 CA ARG A 20 -18.053 12.351 10.202 1.00 0.00 C ATOM 276 C ARG A 20 -16.616 12.015 10.605 1.00 0.00 C ATOM 277 O ARG A 20 -16.048 11.033 10.131 1.00 0.00 O ATOM 278 CB ARG A 20 -19.015 11.781 11.245 1.00 0.00 C ATOM 279 CG ARG A 20 -20.356 12.517 11.215 1.00 0.00 C ATOM 280 CD ARG A 20 -20.405 13.611 12.283 1.00 0.00 C ATOM 281 NE ARG A 20 -21.727 14.276 12.267 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.097 15.234 13.128 1.00 0.00 C ATOM 283 NH1 ARG A 20 -21.247 15.644 14.079 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.317 15.781 13.038 1.00 0.00 N ATOM 0 H ARG A 20 -19.136 11.183 8.839 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.179 13.433 10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.175 10.719 11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.572 11.865 12.237 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.511 12.958 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.168 11.808 11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.218 13.179 13.266 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.618 14.343 12.101 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.399 13.987 11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.319 15.227 14.147 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.528 16.373 14.734 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.964 15.468 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.599 16.510 13.693 1.00 0.00 H new ATOM 298 N PRO A 21 -16.055 12.872 11.500 1.00 0.00 N ATOM 299 CA PRO A 21 -14.695 12.676 11.973 1.00 0.00 C ATOM 300 C PRO A 21 -14.625 11.525 12.979 1.00 0.00 C ATOM 301 O PRO A 21 -13.539 11.118 13.387 1.00 0.00 O ATOM 302 CB PRO A 21 -14.290 14.013 12.571 1.00 0.00 C ATOM 303 CG PRO A 21 -15.586 14.763 12.831 1.00 0.00 C ATOM 304 CD PRO A 21 -16.698 14.046 12.083 1.00 0.00 C ATOM 0 HA PRO A 21 -14.010 12.388 11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.728 13.874 13.494 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.648 14.568 11.887 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.802 14.793 13.899 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.503 15.796 12.493 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.508 13.761 12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.132 14.683 11.313 1.00 0.00 H new ATOM 312 N GLU A 22 -15.798 11.033 13.349 1.00 0.00 N ATOM 313 CA GLU A 22 -15.884 9.937 14.299 1.00 0.00 C ATOM 314 C GLU A 22 -15.421 8.632 13.648 1.00 0.00 C ATOM 315 O GLU A 22 -16.225 7.904 13.069 1.00 0.00 O ATOM 316 CB GLU A 22 -17.304 9.800 14.852 1.00 0.00 C ATOM 317 CG GLU A 22 -17.340 10.101 16.352 1.00 0.00 C ATOM 318 CD GLU A 22 -17.503 8.816 17.165 1.00 0.00 C ATOM 319 OE1 GLU A 22 -18.663 8.369 17.294 1.00 0.00 O ATOM 320 OE2 GLU A 22 -16.464 8.309 17.640 1.00 0.00 O ATOM 0 H GLU A 22 -16.697 11.373 13.008 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.223 10.157 15.137 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.971 10.482 14.325 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.673 8.790 14.671 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.421 10.608 16.647 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.164 10.781 16.570 1.00 0.00 H new ATOM 327 N GLY A 23 -14.126 8.377 13.765 1.00 0.00 N ATOM 328 CA GLY A 23 -13.547 7.173 13.195 1.00 0.00 C ATOM 329 C GLY A 23 -12.498 7.517 12.135 1.00 0.00 C ATOM 330 O GLY A 23 -12.359 6.808 11.140 1.00 0.00 O ATOM 0 H GLY A 23 -13.462 8.984 14.246 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.089 6.577 13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.333 6.563 12.749 1.00 0.00 H new ATOM 334 N ARG A 24 -11.787 8.607 12.385 1.00 0.00 N ATOM 335 CA ARG A 24 -10.755 9.055 11.465 1.00 0.00 C ATOM 336 C ARG A 24 -9.373 8.904 12.104 1.00 0.00 C ATOM 337 O ARG A 24 -9.176 9.272 13.261 1.00 0.00 O ATOM 338 CB ARG A 24 -10.968 10.516 11.067 1.00 0.00 C ATOM 339 CG ARG A 24 -10.503 11.461 12.177 1.00 0.00 C ATOM 340 CD ARG A 24 -11.228 12.805 12.093 1.00 0.00 C ATOM 341 NE ARG A 24 -10.821 13.671 13.222 1.00 0.00 N ATOM 342 CZ ARG A 24 -9.724 14.441 13.221 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.918 14.456 12.151 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.433 15.195 14.290 1.00 0.00 N ATOM 0 H ARG A 24 -11.905 9.193 13.211 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.816 8.435 10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.420 10.730 10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.023 10.689 10.856 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.688 11.004 13.149 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.427 11.619 12.098 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.996 13.294 11.147 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.306 12.648 12.115 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.412 13.683 14.053 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.139 13.882 11.338 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.083 15.042 12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.046 15.183 15.105 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.598 15.781 14.289 1.00 0.00 H new ATOM 358 N THR A 25 -8.451 8.362 11.322 1.00 0.00 N ATOM 359 CA THR A 25 -7.093 8.158 11.797 1.00 0.00 C ATOM 360 C THR A 25 -6.147 7.912 10.619 1.00 0.00 C ATOM 361 O THR A 25 -6.585 7.521 9.538 1.00 0.00 O ATOM 362 CB THR A 25 -7.113 7.011 12.809 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.797 7.006 13.355 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.244 5.641 12.140 1.00 0.00 C ATOM 0 H THR A 25 -8.618 8.058 10.363 1.00 0.00 H new ATOM 0 HA THR A 25 -6.712 9.047 12.299 1.00 0.00 H new ATOM 0 HB THR A 25 -7.940 7.156 13.504 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.723 6.293 14.023 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.253 4.863 12.903 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.172 5.602 11.570 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.400 5.481 11.469 1.00 0.00 H new ATOM 372 N TYR A 26 -4.868 8.151 10.869 1.00 0.00 N ATOM 373 CA TYR A 26 -3.857 7.961 9.842 1.00 0.00 C ATOM 374 C TYR A 26 -2.644 7.214 10.400 1.00 0.00 C ATOM 375 O TYR A 26 -2.475 7.116 11.615 1.00 0.00 O ATOM 376 CB TYR A 26 -3.424 9.363 9.412 1.00 0.00 C ATOM 377 CG TYR A 26 -4.571 10.373 9.334 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.214 10.776 10.486 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.963 10.879 8.111 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.294 11.726 10.413 1.00 0.00 C ATOM 381 CE2 TYR A 26 -6.042 11.829 8.038 1.00 0.00 C ATOM 382 CZ TYR A 26 -6.655 12.206 9.193 1.00 0.00 C ATOM 383 OH TYR A 26 -7.675 13.103 9.124 1.00 0.00 O ATOM 0 H TYR A 26 -4.509 8.474 11.767 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.256 7.375 9.014 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.676 9.732 10.114 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.942 9.300 8.436 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.908 10.379 11.443 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.460 10.562 7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.806 12.050 11.307 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.358 12.234 7.088 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.822 13.360 8.190 1.00 0.00 H new ATOM 393 N ALA A 27 -1.830 6.706 9.486 1.00 0.00 N ATOM 394 CA ALA A 27 -0.637 5.971 9.871 1.00 0.00 C ATOM 395 C ALA A 27 0.544 6.444 9.022 1.00 0.00 C ATOM 396 O ALA A 27 0.363 7.188 8.060 1.00 0.00 O ATOM 397 CB ALA A 27 -0.895 4.470 9.729 1.00 0.00 C ATOM 0 H ALA A 27 -1.973 6.789 8.480 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.388 6.161 10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.000 3.918 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.724 4.181 10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.145 4.240 8.693 1.00 0.00 H new ATOM 403 N ASP A 28 1.728 5.991 9.408 1.00 0.00 N ATOM 404 CA ASP A 28 2.939 6.358 8.694 1.00 0.00 C ATOM 405 C ASP A 28 3.780 5.104 8.447 1.00 0.00 C ATOM 406 O ASP A 28 3.961 4.287 9.348 1.00 0.00 O ATOM 407 CB ASP A 28 3.783 7.341 9.508 1.00 0.00 C ATOM 408 CG ASP A 28 4.370 6.772 10.801 1.00 0.00 C ATOM 409 OD1 ASP A 28 5.352 6.006 10.689 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.825 7.115 11.872 1.00 0.00 O ATOM 0 H ASP A 28 1.874 5.373 10.206 1.00 0.00 H new ATOM 0 HA ASP A 28 2.647 6.827 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.600 7.699 8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.168 8.206 9.756 1.00 0.00 H new ATOM 415 N TYR A 29 4.272 4.992 7.222 1.00 0.00 N ATOM 416 CA TYR A 29 5.090 3.851 6.846 1.00 0.00 C ATOM 417 C TYR A 29 6.382 4.305 6.163 1.00 0.00 C ATOM 418 O TYR A 29 6.597 5.499 5.963 1.00 0.00 O ATOM 419 CB TYR A 29 4.256 3.045 5.849 1.00 0.00 C ATOM 420 CG TYR A 29 3.077 2.303 6.481 1.00 0.00 C ATOM 421 CD1 TYR A 29 3.262 1.046 7.021 1.00 0.00 C ATOM 422 CD2 TYR A 29 1.828 2.890 6.512 1.00 0.00 C ATOM 423 CE1 TYR A 29 2.152 0.348 7.616 1.00 0.00 C ATOM 424 CE2 TYR A 29 0.718 2.191 7.107 1.00 0.00 C ATOM 425 CZ TYR A 29 0.935 0.955 7.630 1.00 0.00 C ATOM 426 OH TYR A 29 -0.113 0.295 8.192 1.00 0.00 O ATOM 0 H TYR A 29 4.120 5.672 6.477 1.00 0.00 H new ATOM 0 HA TYR A 29 5.366 3.270 7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.878 3.718 5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.902 2.322 5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.239 0.586 6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.683 3.874 6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.283 -0.636 8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.264 2.639 7.137 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.919 0.849 8.132 1.00 0.00 H new ATOM 436 N GLU A 30 7.209 3.327 5.823 1.00 0.00 N ATOM 437 CA GLU A 30 8.474 3.610 5.166 1.00 0.00 C ATOM 438 C GLU A 30 8.368 3.327 3.667 1.00 0.00 C ATOM 439 O GLU A 30 8.836 4.117 2.848 1.00 0.00 O ATOM 440 CB GLU A 30 9.611 2.805 5.797 1.00 0.00 C ATOM 441 CG GLU A 30 10.052 3.426 7.124 1.00 0.00 C ATOM 442 CD GLU A 30 11.515 3.092 7.427 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.278 2.948 6.448 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.836 2.989 8.630 1.00 0.00 O ATOM 0 H GLU A 30 7.028 2.337 5.990 1.00 0.00 H new ATOM 0 HA GLU A 30 8.703 4.667 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.286 1.778 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.457 2.765 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.923 4.508 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.417 3.059 7.930 1.00 0.00 H new ATOM 451 N SER A 31 7.750 2.198 3.352 1.00 0.00 N ATOM 452 CA SER A 31 7.577 1.802 1.965 1.00 0.00 C ATOM 453 C SER A 31 6.097 1.868 1.582 1.00 0.00 C ATOM 454 O SER A 31 5.226 1.848 2.451 1.00 0.00 O ATOM 455 CB SER A 31 8.126 0.394 1.722 1.00 0.00 C ATOM 456 OG SER A 31 9.227 0.400 0.817 1.00 0.00 O ATOM 0 H SER A 31 7.363 1.545 4.034 1.00 0.00 H new ATOM 0 HA SER A 31 8.139 2.495 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.439 -0.042 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.334 -0.241 1.325 1.00 0.00 H new ATOM 0 HG SER A 31 9.550 -0.516 0.689 1.00 0.00 H new ATOM 462 N VAL A 32 5.858 1.945 0.281 1.00 0.00 N ATOM 463 CA VAL A 32 4.498 2.014 -0.227 1.00 0.00 C ATOM 464 C VAL A 32 3.753 0.731 0.147 1.00 0.00 C ATOM 465 O VAL A 32 2.652 0.784 0.693 1.00 0.00 O ATOM 466 CB VAL A 32 4.515 2.278 -1.734 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.245 1.744 -2.399 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.702 3.768 -2.026 1.00 0.00 C ATOM 0 H VAL A 32 6.583 1.961 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 32 3.962 2.846 0.229 1.00 0.00 H new ATOM 0 HB VAL A 32 5.365 1.743 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.283 1.945 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.172 0.669 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.374 2.237 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.711 3.929 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.882 4.332 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.647 4.106 -1.601 1.00 0.00 H new ATOM 478 N ASN A 33 4.384 -0.393 -0.163 1.00 0.00 N ATOM 479 CA ASN A 33 3.794 -1.688 0.133 1.00 0.00 C ATOM 480 C ASN A 33 3.363 -1.723 1.600 1.00 0.00 C ATOM 481 O ASN A 33 2.226 -2.077 1.909 1.00 0.00 O ATOM 482 CB ASN A 33 4.803 -2.816 -0.091 1.00 0.00 C ATOM 483 CG ASN A 33 5.482 -2.682 -1.455 1.00 0.00 C ATOM 484 OD1 ASN A 33 4.849 -2.457 -2.473 1.00 0.00 O ATOM 485 ND2 ASN A 33 6.803 -2.832 -1.419 1.00 0.00 N ATOM 0 H ASN A 33 5.297 -0.433 -0.616 1.00 0.00 H new ATOM 0 HA ASN A 33 2.941 -1.830 -0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.556 -2.797 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.297 -3.779 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.348 -2.760 -2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.271 -3.019 -0.532 1.00 0.00 H new ATOM 492 N GLU A 34 4.294 -1.352 2.467 1.00 0.00 N ATOM 493 CA GLU A 34 4.024 -1.337 3.895 1.00 0.00 C ATOM 494 C GLU A 34 2.706 -0.615 4.178 1.00 0.00 C ATOM 495 O GLU A 34 1.961 -1.004 5.076 1.00 0.00 O ATOM 496 CB GLU A 34 5.179 -0.693 4.664 1.00 0.00 C ATOM 497 CG GLU A 34 6.512 -1.354 4.306 1.00 0.00 C ATOM 498 CD GLU A 34 6.397 -2.879 4.345 1.00 0.00 C ATOM 499 OE1 GLU A 34 6.557 -3.432 5.455 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.151 -3.457 3.265 1.00 0.00 O ATOM 0 H GLU A 34 5.236 -1.059 2.208 1.00 0.00 H new ATOM 0 HA GLU A 34 3.932 -2.367 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.224 0.372 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.001 -0.782 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.825 -1.035 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.283 -1.026 5.003 1.00 0.00 H new ATOM 507 N CYS A 35 2.458 0.425 3.396 1.00 0.00 N ATOM 508 CA CYS A 35 1.242 1.206 3.552 1.00 0.00 C ATOM 509 C CYS A 35 0.066 0.370 3.042 1.00 0.00 C ATOM 510 O CYS A 35 -1.019 0.403 3.619 1.00 0.00 O ATOM 511 CB CYS A 35 1.339 2.553 2.833 1.00 0.00 C ATOM 512 SG CYS A 35 -0.337 3.225 2.534 1.00 0.00 S ATOM 0 H CYS A 35 3.078 0.745 2.652 1.00 0.00 H new ATOM 0 HA CYS A 35 1.090 1.441 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.919 3.254 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.866 2.432 1.886 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.243 4.370 1.925 1.00 0.00 H new ATOM 518 N MET A 36 0.322 -0.359 1.966 1.00 0.00 N ATOM 519 CA MET A 36 -0.702 -1.201 1.372 1.00 0.00 C ATOM 520 C MET A 36 -1.177 -2.267 2.361 1.00 0.00 C ATOM 521 O MET A 36 -2.378 -2.439 2.565 1.00 0.00 O ATOM 522 CB MET A 36 -0.142 -1.880 0.120 1.00 0.00 C ATOM 523 CG MET A 36 0.312 -0.844 -0.910 1.00 0.00 C ATOM 524 SD MET A 36 -1.054 0.215 -1.354 1.00 0.00 S ATOM 525 CE MET A 36 -0.182 1.746 -1.636 1.00 0.00 C ATOM 0 H MET A 36 1.224 -0.384 1.490 1.00 0.00 H new ATOM 0 HA MET A 36 -1.553 -0.573 1.106 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.698 -2.518 0.393 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.903 -2.525 -0.319 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.128 -0.247 -0.502 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.697 -1.346 -1.798 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.890 2.575 -1.625 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.560 1.892 -0.851 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.317 1.707 -2.604 1.00 0.00 H new ATOM 535 N GLU A 37 -0.210 -2.955 2.951 1.00 0.00 N ATOM 536 CA GLU A 37 -0.515 -3.999 3.914 1.00 0.00 C ATOM 537 C GLU A 37 -1.712 -3.592 4.777 1.00 0.00 C ATOM 538 O GLU A 37 -2.766 -4.223 4.718 1.00 0.00 O ATOM 539 CB GLU A 37 0.704 -4.316 4.783 1.00 0.00 C ATOM 540 CG GLU A 37 1.148 -5.768 4.594 1.00 0.00 C ATOM 541 CD GLU A 37 2.093 -6.202 5.716 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.844 -5.326 6.197 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.044 -7.401 6.068 1.00 0.00 O ATOM 0 H GLU A 37 0.785 -2.810 2.780 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.777 -4.905 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.523 -3.645 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.464 -4.139 5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.275 -6.420 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.647 -5.877 3.631 1.00 0.00 H new ATOM 550 N GLY A 38 -1.508 -2.541 5.557 1.00 0.00 N ATOM 551 CA GLY A 38 -2.557 -2.043 6.430 1.00 0.00 C ATOM 552 C GLY A 38 -3.930 -2.174 5.768 1.00 0.00 C ATOM 553 O GLY A 38 -4.828 -2.816 6.312 1.00 0.00 O ATOM 0 H GLY A 38 -0.632 -2.021 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.548 -2.597 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.366 -0.998 6.675 1.00 0.00 H new ATOM 557 N VAL A 39 -4.051 -1.555 4.602 1.00 0.00 N ATOM 558 CA VAL A 39 -5.299 -1.594 3.860 1.00 0.00 C ATOM 559 C VAL A 39 -5.872 -3.012 3.908 1.00 0.00 C ATOM 560 O VAL A 39 -7.062 -3.196 4.161 1.00 0.00 O ATOM 561 CB VAL A 39 -5.076 -1.088 2.433 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.356 -1.205 1.603 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.554 0.350 2.437 1.00 0.00 C ATOM 0 H VAL A 39 -3.305 -1.024 4.153 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.034 -0.930 4.315 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.318 -1.718 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.170 -0.839 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.667 -2.249 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.145 -0.611 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.404 0.685 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.279 0.999 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.607 0.392 2.975 1.00 0.00 H new ATOM 573 N CYS A 40 -4.999 -3.977 3.662 1.00 0.00 N ATOM 574 CA CYS A 40 -5.403 -5.373 3.674 1.00 0.00 C ATOM 575 C CYS A 40 -5.693 -5.776 5.121 1.00 0.00 C ATOM 576 O CYS A 40 -6.632 -6.526 5.384 1.00 0.00 O ATOM 577 CB CYS A 40 -4.346 -6.274 3.032 1.00 0.00 C ATOM 578 SG CYS A 40 -4.706 -8.028 3.409 1.00 0.00 S ATOM 0 H CYS A 40 -4.013 -3.820 3.453 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.305 -5.498 3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.333 -6.121 1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.356 -6.009 3.404 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.804 -8.784 2.858 1.00 0.00 H new ATOM 584 N LYS A 41 -4.869 -5.261 6.022 1.00 0.00 N ATOM 585 CA LYS A 41 -5.026 -5.558 7.436 1.00 0.00 C ATOM 586 C LYS A 41 -6.460 -5.241 7.864 1.00 0.00 C ATOM 587 O LYS A 41 -7.129 -6.076 8.471 1.00 0.00 O ATOM 588 CB LYS A 41 -3.963 -4.826 8.258 1.00 0.00 C ATOM 589 CG LYS A 41 -2.555 -5.175 7.770 1.00 0.00 C ATOM 590 CD LYS A 41 -1.494 -4.657 8.742 1.00 0.00 C ATOM 591 CE LYS A 41 -0.158 -5.371 8.526 1.00 0.00 C ATOM 592 NZ LYS A 41 0.071 -6.374 9.590 1.00 0.00 N ATOM 0 H LYS A 41 -4.091 -4.640 5.800 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.865 -6.620 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.120 -3.750 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.064 -5.093 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.460 -6.256 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.391 -4.743 6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.363 -3.584 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.830 -4.809 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.153 -5.859 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.654 -4.643 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.982 -6.849 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.087 -5.901 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.695 -7.078 9.574 1.00 0.00 H new ATOM 606 N MET A 42 -6.890 -4.033 7.530 1.00 0.00 N ATOM 607 CA MET A 42 -8.233 -3.596 7.872 1.00 0.00 C ATOM 608 C MET A 42 -9.230 -4.751 7.761 1.00 0.00 C ATOM 609 O MET A 42 -9.836 -5.150 8.754 1.00 0.00 O ATOM 610 CB MET A 42 -8.656 -2.464 6.934 1.00 0.00 C ATOM 611 CG MET A 42 -8.300 -1.099 7.527 1.00 0.00 C ATOM 612 SD MET A 42 -7.304 -0.172 6.372 1.00 0.00 S ATOM 613 CE MET A 42 -8.363 -0.225 4.936 1.00 0.00 C ATOM 0 H MET A 42 -6.332 -3.343 7.026 1.00 0.00 H new ATOM 0 HA MET A 42 -8.229 -3.243 8.903 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.165 -2.584 5.968 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.730 -2.518 6.754 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.210 -0.546 7.760 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.758 -1.230 8.463 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.184 0.655 4.319 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.147 -1.123 4.358 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.406 -0.239 5.253 1.00 0.00 H new ATOM 623 N TYR A 43 -9.371 -5.254 6.544 1.00 0.00 N ATOM 624 CA TYR A 43 -10.284 -6.355 6.290 1.00 0.00 C ATOM 625 C TYR A 43 -9.879 -7.598 7.084 1.00 0.00 C ATOM 626 O TYR A 43 -10.722 -8.245 7.705 1.00 0.00 O ATOM 627 CB TYR A 43 -10.172 -6.661 4.795 1.00 0.00 C ATOM 628 CG TYR A 43 -11.292 -7.552 4.256 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.544 -7.021 4.022 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.051 -8.888 4.004 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.599 -7.861 3.514 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.105 -9.727 3.497 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.327 -9.172 3.277 1.00 0.00 C ATOM 634 OH TYR A 43 -14.323 -9.965 2.798 1.00 0.00 O ATOM 0 H TYR A 43 -8.868 -4.919 5.722 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.298 -6.088 6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.171 -5.722 4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.214 -7.144 4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.733 -5.976 4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.071 -9.304 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.583 -7.458 3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.929 -10.773 3.296 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.741 -9.533 2.024 1.00 0.00 H new ATOM 644 N GLU A 44 -8.589 -7.895 7.040 1.00 0.00 N ATOM 645 CA GLU A 44 -8.061 -9.050 7.748 1.00 0.00 C ATOM 646 C GLU A 44 -8.684 -9.147 9.142 1.00 0.00 C ATOM 647 O GLU A 44 -9.021 -10.237 9.601 1.00 0.00 O ATOM 648 CB GLU A 44 -6.535 -8.991 7.831 1.00 0.00 C ATOM 649 CG GLU A 44 -5.902 -9.213 6.456 1.00 0.00 C ATOM 650 CD GLU A 44 -4.874 -10.346 6.502 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.354 -10.596 7.611 1.00 0.00 O ATOM 652 OE2 GLU A 44 -4.633 -10.937 5.428 1.00 0.00 O ATOM 0 H GLU A 44 -7.893 -7.356 6.525 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.326 -9.948 7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.226 -8.023 8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.176 -9.749 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.678 -9.451 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.421 -8.294 6.120 1.00 0.00 H new ATOM 659 N GLU A 45 -8.817 -7.992 9.777 1.00 0.00 N ATOM 660 CA GLU A 45 -9.393 -7.933 11.110 1.00 0.00 C ATOM 661 C GLU A 45 -10.726 -8.682 11.146 1.00 0.00 C ATOM 662 O GLU A 45 -10.866 -9.675 11.859 1.00 0.00 O ATOM 663 CB GLU A 45 -9.565 -6.484 11.569 1.00 0.00 C ATOM 664 CG GLU A 45 -8.231 -5.736 11.538 1.00 0.00 C ATOM 665 CD GLU A 45 -7.567 -5.740 12.916 1.00 0.00 C ATOM 666 OE1 GLU A 45 -7.517 -6.834 13.519 1.00 0.00 O ATOM 667 OE2 GLU A 45 -7.126 -4.648 13.336 1.00 0.00 O ATOM 0 H GLU A 45 -8.536 -7.090 9.393 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.707 -8.420 11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.285 -5.978 10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.973 -6.465 12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.567 -6.200 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.394 -4.709 11.212 1.00 0.00 H new ATOM 674 N HIS A 46 -11.673 -8.178 10.367 1.00 0.00 N ATOM 675 CA HIS A 46 -12.990 -8.787 10.301 1.00 0.00 C ATOM 676 C HIS A 46 -12.849 -10.288 10.039 1.00 0.00 C ATOM 677 O HIS A 46 -13.758 -11.062 10.337 1.00 0.00 O ATOM 678 CB HIS A 46 -13.862 -8.083 9.259 1.00 0.00 C ATOM 679 CG HIS A 46 -14.910 -8.972 8.634 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.100 -9.287 9.266 1.00 0.00 N ATOM 681 CD2 HIS A 46 -14.935 -9.608 7.427 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.801 -10.079 8.467 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.077 -10.277 7.328 1.00 0.00 N ATOM 0 H HIS A 46 -11.554 -7.355 9.777 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.499 -8.667 11.257 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.355 -7.232 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.221 -7.686 8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.157 -9.573 6.679 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.775 -10.495 8.680 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.366 -10.845 6.532 1.00 0.00 H new ATOM 691 N LEU A 47 -11.703 -10.654 9.485 1.00 0.00 N ATOM 692 CA LEU A 47 -11.431 -12.049 9.179 1.00 0.00 C ATOM 693 C LEU A 47 -10.878 -12.741 10.426 1.00 0.00 C ATOM 694 O LEU A 47 -11.347 -13.812 10.806 1.00 0.00 O ATOM 695 CB LEU A 47 -10.518 -12.162 7.957 1.00 0.00 C ATOM 696 CG LEU A 47 -11.215 -12.436 6.622 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.341 -11.431 6.375 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.206 -12.462 5.472 1.00 0.00 C ATOM 0 H LEU A 47 -10.952 -10.009 9.240 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.352 -12.566 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.951 -11.236 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.798 -12.960 8.139 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.672 -13.424 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.820 -11.648 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.077 -11.506 7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.930 -10.422 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.727 -12.659 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.700 -11.499 5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.471 -13.247 5.650 1.00 0.00 H new ATOM 710 N LYS A 48 -9.887 -12.100 11.029 1.00 0.00 N ATOM 711 CA LYS A 48 -9.264 -12.640 12.225 1.00 0.00 C ATOM 712 C LYS A 48 -10.338 -13.273 13.113 1.00 0.00 C ATOM 713 O LYS A 48 -10.308 -14.476 13.368 1.00 0.00 O ATOM 714 CB LYS A 48 -8.438 -11.564 12.932 1.00 0.00 C ATOM 715 CG LYS A 48 -7.079 -12.115 13.370 1.00 0.00 C ATOM 716 CD LYS A 48 -5.937 -11.258 12.820 1.00 0.00 C ATOM 717 CE LYS A 48 -5.525 -11.726 11.423 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.083 -11.480 11.199 1.00 0.00 N ATOM 0 H LYS A 48 -9.500 -11.211 10.711 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.559 -13.429 11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.292 -10.715 12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.982 -11.195 13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.027 -12.141 14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.969 -13.142 13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.247 -10.214 12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.081 -11.311 13.493 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.741 -12.789 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.111 -11.200 10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.903 -11.375 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.799 -10.610 11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.533 -12.282 11.567 1.00 0.00 H new ATOM 732 N ARG A 49 -11.261 -12.434 13.559 1.00 0.00 N ATOM 733 CA ARG A 49 -12.343 -12.897 14.412 1.00 0.00 C ATOM 734 C ARG A 49 -12.993 -14.146 13.816 1.00 0.00 C ATOM 735 O ARG A 49 -13.326 -15.083 14.540 1.00 0.00 O ATOM 736 CB ARG A 49 -13.407 -11.812 14.589 1.00 0.00 C ATOM 737 CG ARG A 49 -13.697 -11.107 13.262 1.00 0.00 C ATOM 738 CD ARG A 49 -15.163 -11.280 12.859 1.00 0.00 C ATOM 739 NE ARG A 49 -15.886 -9.998 13.016 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.221 -9.884 13.011 1.00 0.00 C ATOM 741 NH1 ARG A 49 -17.987 -10.972 12.857 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.790 -8.680 13.160 1.00 0.00 N ATOM 0 H ARG A 49 -11.282 -11.437 13.346 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.917 -13.136 15.387 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.324 -12.256 14.977 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.069 -11.083 15.326 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.463 -10.046 13.351 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.051 -11.511 12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.227 -11.619 11.825 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.630 -12.048 13.475 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.334 -9.149 13.135 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.554 -11.889 12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.003 -10.884 12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.207 -7.851 13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.806 -8.592 13.156 1.00 0.00 H new ATOM 756 N MET A 50 -13.154 -14.120 12.501 1.00 0.00 N ATOM 757 CA MET A 50 -13.758 -15.240 11.798 1.00 0.00 C ATOM 758 C MET A 50 -12.804 -16.435 11.748 1.00 0.00 C ATOM 759 O MET A 50 -13.225 -17.578 11.921 1.00 0.00 O ATOM 760 CB MET A 50 -14.118 -14.814 10.374 1.00 0.00 C ATOM 761 CG MET A 50 -15.264 -13.800 10.378 1.00 0.00 C ATOM 762 SD MET A 50 -16.679 -14.474 9.525 1.00 0.00 S ATOM 763 CE MET A 50 -15.930 -14.886 7.958 1.00 0.00 C ATOM 0 H MET A 50 -12.877 -13.341 11.904 1.00 0.00 H new ATOM 0 HA MET A 50 -14.658 -15.540 12.336 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.244 -14.379 9.889 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.404 -15.689 9.790 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.534 -13.548 11.404 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.945 -12.876 9.896 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.666 -14.773 7.162 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.088 -14.220 7.771 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.578 -15.917 7.983 1.00 0.00 H new ATOM 773 N ASN A 51 -11.536 -16.130 11.511 1.00 0.00 N ATOM 774 CA ASN A 51 -10.519 -17.165 11.436 1.00 0.00 C ATOM 775 C ASN A 51 -9.431 -16.881 12.474 1.00 0.00 C ATOM 776 O ASN A 51 -8.572 -16.027 12.260 1.00 0.00 O ATOM 777 CB ASN A 51 -9.860 -17.191 10.056 1.00 0.00 C ATOM 778 CG ASN A 51 -10.910 -17.104 8.946 1.00 0.00 C ATOM 779 OD1 ASN A 51 -11.209 -18.069 8.262 1.00 0.00 O ATOM 780 ND2 ASN A 51 -11.450 -15.897 8.805 1.00 0.00 N ATOM 0 H ASN A 51 -11.190 -15.181 11.369 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.000 -18.125 11.624 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.161 -16.359 9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.281 -18.107 9.943 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.160 -15.736 8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.154 -15.132 9.411 1.00 0.00 H new ATOM 787 N PRO A 52 -9.505 -17.633 13.605 1.00 0.00 N ATOM 788 CA PRO A 52 -8.537 -17.470 14.676 1.00 0.00 C ATOM 789 C PRO A 52 -7.195 -18.102 14.303 1.00 0.00 C ATOM 790 O PRO A 52 -6.178 -17.413 14.236 1.00 0.00 O ATOM 791 CB PRO A 52 -9.182 -18.119 15.891 1.00 0.00 C ATOM 792 CG PRO A 52 -10.275 -19.025 15.348 1.00 0.00 C ATOM 793 CD PRO A 52 -10.509 -18.653 13.893 1.00 0.00 C ATOM 0 HA PRO A 52 -8.303 -16.424 14.876 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.451 -18.689 16.464 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.596 -17.367 16.562 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.980 -20.071 15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.192 -18.905 15.925 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.394 -19.518 13.240 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.518 -18.270 13.740 1.00 0.00 H new ATOM 801 N ASN A 53 -7.235 -19.405 14.069 1.00 0.00 N ATOM 802 CA ASN A 53 -6.034 -20.138 13.704 1.00 0.00 C ATOM 803 C ASN A 53 -5.284 -19.368 12.616 1.00 0.00 C ATOM 804 O ASN A 53 -4.057 -19.423 12.545 1.00 0.00 O ATOM 805 CB ASN A 53 -6.380 -21.522 13.151 1.00 0.00 C ATOM 806 CG ASN A 53 -7.374 -22.244 14.062 1.00 0.00 C ATOM 807 OD1 ASN A 53 -7.009 -22.917 15.013 1.00 0.00 O ATOM 808 ND2 ASN A 53 -8.647 -22.068 13.721 1.00 0.00 N ATOM 0 H ASN A 53 -8.080 -19.973 14.125 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.422 -20.250 14.599 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.803 -21.423 12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.472 -22.117 13.055 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.387 -22.509 14.267 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.884 -21.492 12.913 1.00 0.00 H new ATOM 815 N SER A 54 -6.052 -18.667 11.795 1.00 0.00 N ATOM 816 CA SER A 54 -5.474 -17.887 10.713 1.00 0.00 C ATOM 817 C SER A 54 -4.201 -17.188 11.194 1.00 0.00 C ATOM 818 O SER A 54 -4.269 -16.167 11.878 1.00 0.00 O ATOM 819 CB SER A 54 -6.475 -16.859 10.180 1.00 0.00 C ATOM 820 OG SER A 54 -6.553 -15.707 11.016 1.00 0.00 O ATOM 0 H SER A 54 -7.069 -18.623 11.857 1.00 0.00 H new ATOM 0 HA SER A 54 -5.222 -18.566 9.898 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.184 -16.558 9.174 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.460 -17.319 10.103 1.00 0.00 H new ATOM 0 HG SER A 54 -7.033 -15.933 11.840 1.00 0.00 H new ATOM 826 N PRO A 55 -3.039 -17.780 10.808 1.00 0.00 N ATOM 827 CA PRO A 55 -1.753 -17.225 11.192 1.00 0.00 C ATOM 828 C PRO A 55 -1.428 -15.974 10.373 1.00 0.00 C ATOM 829 O PRO A 55 -0.998 -14.962 10.923 1.00 0.00 O ATOM 830 CB PRO A 55 -0.757 -18.353 10.975 1.00 0.00 C ATOM 831 CG PRO A 55 -1.442 -19.339 10.043 1.00 0.00 C ATOM 832 CD PRO A 55 -2.920 -18.989 9.998 1.00 0.00 C ATOM 0 HA PRO A 55 -1.733 -16.888 12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.168 -17.979 10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.492 -18.828 11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.007 -19.286 9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.302 -20.360 10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.255 -18.815 8.975 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.531 -19.797 10.400 1.00 0.00 H new ATOM 840 N SER A 56 -1.646 -16.086 9.071 1.00 0.00 N ATOM 841 CA SER A 56 -1.382 -14.977 8.170 1.00 0.00 C ATOM 842 C SER A 56 -2.647 -14.630 7.382 1.00 0.00 C ATOM 843 O SER A 56 -2.646 -13.698 6.579 1.00 0.00 O ATOM 844 CB SER A 56 -0.234 -15.306 7.213 1.00 0.00 C ATOM 845 OG SER A 56 1.000 -15.487 7.903 1.00 0.00 O ATOM 0 H SER A 56 -2.002 -16.928 8.618 1.00 0.00 H new ATOM 0 HA SER A 56 -1.086 -14.115 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.474 -16.212 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.128 -14.502 6.484 1.00 0.00 H new ATOM 0 HG SER A 56 1.708 -15.697 7.258 1.00 0.00 H new ATOM 851 N ILE A 57 -3.695 -15.399 7.639 1.00 0.00 N ATOM 852 CA ILE A 57 -4.963 -15.185 6.963 1.00 0.00 C ATOM 853 C ILE A 57 -4.803 -15.498 5.474 1.00 0.00 C ATOM 854 O ILE A 57 -3.684 -15.637 4.983 1.00 0.00 O ATOM 855 CB ILE A 57 -5.487 -13.775 7.242 1.00 0.00 C ATOM 856 CG1 ILE A 57 -5.787 -13.585 8.730 1.00 0.00 C ATOM 857 CG2 ILE A 57 -6.703 -13.459 6.368 1.00 0.00 C ATOM 858 CD1 ILE A 57 -7.229 -13.121 8.945 1.00 0.00 C ATOM 0 H ILE A 57 -3.692 -16.171 8.306 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.721 -15.865 7.352 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.706 -13.063 6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.620 -14.522 9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.099 -12.853 9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.056 -12.451 6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.423 -13.526 5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.498 -14.175 6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.415 -12.994 10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.386 -12.171 8.434 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.915 -13.867 8.543 1.00 0.00 H new ATOM 870 N THR A 58 -5.938 -15.601 4.798 1.00 0.00 N ATOM 871 CA THR A 58 -5.937 -15.895 3.375 1.00 0.00 C ATOM 872 C THR A 58 -7.364 -15.869 2.825 1.00 0.00 C ATOM 873 O THR A 58 -8.255 -16.521 3.367 1.00 0.00 O ATOM 874 CB THR A 58 -5.231 -17.237 3.171 1.00 0.00 C ATOM 875 OG1 THR A 58 -4.534 -17.078 1.938 1.00 0.00 O ATOM 876 CG2 THR A 58 -6.213 -18.379 2.899 1.00 0.00 C ATOM 0 H THR A 58 -6.864 -15.486 5.209 1.00 0.00 H new ATOM 0 HA THR A 58 -5.392 -15.136 2.814 1.00 0.00 H new ATOM 0 HB THR A 58 -4.635 -17.472 4.053 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.046 -17.902 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.661 -19.309 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.894 -18.483 3.744 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.785 -18.160 1.997 1.00 0.00 H new ATOM 884 N TYR A 59 -7.537 -15.108 1.754 1.00 0.00 N ATOM 885 CA TYR A 59 -8.841 -14.988 1.124 1.00 0.00 C ATOM 886 C TYR A 59 -8.745 -14.208 -0.189 1.00 0.00 C ATOM 887 O TYR A 59 -7.669 -13.745 -0.564 1.00 0.00 O ATOM 888 CB TYR A 59 -9.714 -14.205 2.106 1.00 0.00 C ATOM 889 CG TYR A 59 -9.113 -12.867 2.542 1.00 0.00 C ATOM 890 CD1 TYR A 59 -8.095 -12.838 3.473 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.589 -11.688 2.003 1.00 0.00 C ATOM 892 CE1 TYR A 59 -7.530 -11.578 3.883 1.00 0.00 C ATOM 893 CE2 TYR A 59 -9.024 -10.429 2.413 1.00 0.00 C ATOM 894 CZ TYR A 59 -8.022 -10.436 3.333 1.00 0.00 C ATOM 895 OH TYR A 59 -7.488 -9.247 3.720 1.00 0.00 O ATOM 0 H TYR A 59 -6.796 -14.568 1.307 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.249 -15.973 0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.686 -14.023 1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.889 -14.818 2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.722 -13.760 3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.385 -11.710 1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.733 -11.541 4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.387 -9.500 1.999 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.527 -9.243 3.529 1.00 0.00 H new ATOM 905 N ASP A 60 -9.886 -14.087 -0.853 1.00 0.00 N ATOM 906 CA ASP A 60 -9.945 -13.372 -2.116 1.00 0.00 C ATOM 907 C ASP A 60 -9.646 -11.891 -1.873 1.00 0.00 C ATOM 908 O ASP A 60 -9.683 -11.425 -0.735 1.00 0.00 O ATOM 909 CB ASP A 60 -11.336 -13.476 -2.744 1.00 0.00 C ATOM 910 CG ASP A 60 -11.585 -14.749 -3.556 1.00 0.00 C ATOM 911 OD1 ASP A 60 -10.849 -14.943 -4.548 1.00 0.00 O ATOM 912 OD2 ASP A 60 -12.506 -15.499 -3.166 1.00 0.00 O ATOM 0 H ASP A 60 -10.777 -14.472 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.211 -13.816 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.082 -13.417 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.491 -12.613 -3.392 1.00 0.00 H new ATOM 917 N ILE A 61 -9.355 -11.192 -2.960 1.00 0.00 N ATOM 918 CA ILE A 61 -9.050 -9.774 -2.879 1.00 0.00 C ATOM 919 C ILE A 61 -10.338 -8.969 -3.063 1.00 0.00 C ATOM 920 O ILE A 61 -10.604 -8.036 -2.306 1.00 0.00 O ATOM 921 CB ILE A 61 -7.947 -9.406 -3.874 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.574 -9.420 -3.200 1.00 0.00 C ATOM 923 CG2 ILE A 61 -8.242 -8.064 -4.547 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.465 -9.109 -4.207 1.00 0.00 C ATOM 0 H ILE A 61 -9.324 -11.582 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.655 -9.524 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.928 -10.162 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.554 -8.687 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.397 -10.396 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.443 -7.826 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.189 -8.126 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.304 -7.283 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.499 -9.125 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.473 -9.858 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.632 -8.122 -4.639 1.00 0.00 H new ATOM 936 N SER A 62 -11.103 -9.358 -4.072 1.00 0.00 N ATOM 937 CA SER A 62 -12.356 -8.683 -4.365 1.00 0.00 C ATOM 938 C SER A 62 -13.227 -8.629 -3.108 1.00 0.00 C ATOM 939 O SER A 62 -13.994 -7.686 -2.920 1.00 0.00 O ATOM 940 CB SER A 62 -13.106 -9.383 -5.500 1.00 0.00 C ATOM 941 OG SER A 62 -14.067 -8.527 -6.112 1.00 0.00 O ATOM 0 H SER A 62 -10.879 -10.132 -4.697 1.00 0.00 H new ATOM 0 HA SER A 62 -12.130 -7.667 -4.687 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.393 -9.722 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.606 -10.270 -5.111 1.00 0.00 H new ATOM 0 HG SER A 62 -14.523 -9.010 -6.832 1.00 0.00 H new ATOM 947 N GLN A 63 -13.079 -9.653 -2.279 1.00 0.00 N ATOM 948 CA GLN A 63 -13.843 -9.733 -1.046 1.00 0.00 C ATOM 949 C GLN A 63 -13.470 -8.578 -0.114 1.00 0.00 C ATOM 950 O GLN A 63 -14.337 -7.995 0.534 1.00 0.00 O ATOM 951 CB GLN A 63 -13.631 -11.083 -0.357 1.00 0.00 C ATOM 952 CG GLN A 63 -14.968 -11.724 0.018 1.00 0.00 C ATOM 953 CD GLN A 63 -14.926 -12.292 1.438 1.00 0.00 C ATOM 954 OE1 GLN A 63 -13.925 -12.822 1.892 1.00 0.00 O ATOM 955 NE2 GLN A 63 -16.064 -12.151 2.111 1.00 0.00 N ATOM 0 H GLN A 63 -12.442 -10.433 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.902 -9.649 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.077 -11.749 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.025 -10.947 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.764 -10.983 -0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.205 -12.519 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.864 -11.697 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.137 -12.497 3.068 1.00 0.00 H new ATOM 964 N LEU A 64 -12.179 -8.282 -0.078 1.00 0.00 N ATOM 965 CA LEU A 64 -11.681 -7.207 0.763 1.00 0.00 C ATOM 966 C LEU A 64 -11.991 -5.863 0.102 1.00 0.00 C ATOM 967 O LEU A 64 -12.474 -4.941 0.757 1.00 0.00 O ATOM 968 CB LEU A 64 -10.197 -7.412 1.072 1.00 0.00 C ATOM 969 CG LEU A 64 -9.283 -6.215 0.801 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.488 -5.121 1.850 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.820 -6.653 0.707 1.00 0.00 C ATOM 0 H LEU A 64 -11.463 -8.768 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.188 -7.213 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.100 -7.688 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.838 -8.258 0.486 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.554 -5.789 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.827 -4.282 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.524 -4.782 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.260 -5.518 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.192 -5.784 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.518 -7.118 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.706 -7.370 -0.106 1.00 0.00 H new ATOM 983 N PHE A 65 -11.701 -5.794 -1.189 1.00 0.00 N ATOM 984 CA PHE A 65 -11.943 -4.577 -1.947 1.00 0.00 C ATOM 985 C PHE A 65 -13.422 -4.188 -1.901 1.00 0.00 C ATOM 986 O PHE A 65 -13.765 -3.019 -2.072 1.00 0.00 O ATOM 987 CB PHE A 65 -11.548 -4.867 -3.396 1.00 0.00 C ATOM 988 CG PHE A 65 -10.038 -4.958 -3.624 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.179 -4.712 -2.598 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.554 -5.285 -4.852 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.778 -4.797 -2.809 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.152 -5.369 -5.063 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.294 -5.123 -4.037 1.00 0.00 C ATOM 0 H PHE A 65 -11.301 -6.561 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.366 -3.754 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.009 -5.805 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.955 -4.084 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.563 -4.452 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.236 -5.481 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.096 -4.603 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.767 -5.628 -6.038 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.228 -5.187 -4.198 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.257 -5.190 -1.671 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.692 -4.967 -1.601 1.00 0.00 C ATOM 1005 C ASP A 66 -16.002 -4.033 -0.429 1.00 0.00 C ATOM 1006 O ASP A 66 -17.028 -3.356 -0.425 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.443 -6.280 -1.370 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.219 -6.801 -2.581 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -16.748 -6.546 -3.710 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.267 -7.443 -2.349 1.00 0.00 O ATOM 0 H ASP A 66 -13.968 -6.158 -1.531 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.012 -4.530 -2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.727 -7.041 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.139 -6.143 -0.543 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.095 -4.027 0.537 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.259 -3.188 1.712 1.00 0.00 C ATOM 1017 C PHE A 67 -14.584 -1.829 1.513 1.00 0.00 C ATOM 1018 O PHE A 67 -14.889 -0.871 2.223 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.584 -3.913 2.878 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.903 -2.980 3.881 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.619 -2.445 4.907 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.582 -2.685 3.747 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.987 -1.579 5.838 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.950 -1.819 4.678 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.666 -1.284 5.704 1.00 0.00 C ATOM 0 H PHE A 67 -14.244 -4.590 0.530 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.319 -3.014 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.330 -4.510 3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.842 -4.606 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.668 -2.679 5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.014 -3.109 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.555 -1.155 6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.901 -1.585 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.185 -0.625 6.412 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.681 -1.789 0.545 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.961 -0.563 0.244 1.00 0.00 C ATOM 1037 C ILE A 68 -13.933 0.466 -0.336 1.00 0.00 C ATOM 1038 O ILE A 68 -13.965 1.613 0.105 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.762 -0.855 -0.661 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.576 -1.379 0.152 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.389 0.376 -1.490 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.458 -1.875 -0.767 1.00 0.00 C ATOM 0 H ILE A 68 -13.431 -2.585 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.547 -0.131 1.155 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.045 -1.641 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.196 -0.588 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.905 -2.191 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.534 0.142 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.235 0.665 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.132 1.199 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.627 -2.242 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.835 -2.682 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.114 -1.055 -1.397 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.704 0.017 -1.316 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.675 0.884 -1.962 1.00 0.00 C ATOM 1056 C ASP A 69 -16.725 1.318 -0.937 1.00 0.00 C ATOM 1057 O ASP A 69 -17.279 2.411 -1.035 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.395 0.155 -3.098 1.00 0.00 C ATOM 1059 CG ASP A 69 -17.489 0.967 -3.796 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -17.136 2.021 -4.367 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -18.653 0.514 -3.742 1.00 0.00 O ATOM 0 H ASP A 69 -14.676 -0.936 -1.678 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.142 1.744 -2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.657 -0.147 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.839 -0.758 -2.700 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.967 0.437 0.023 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.941 0.715 1.065 1.00 0.00 C ATOM 1068 C ASP A 70 -17.525 1.977 1.823 1.00 0.00 C ATOM 1069 O ASP A 70 -18.368 2.801 2.175 1.00 0.00 O ATOM 1070 CB ASP A 70 -18.018 -0.437 2.069 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.129 -0.312 3.113 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.272 -0.030 2.694 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -18.809 -0.500 4.307 1.00 0.00 O ATOM 0 H ASP A 70 -16.506 -0.469 0.101 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.914 0.845 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.159 -1.368 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.061 -0.513 2.586 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.225 2.088 2.053 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.686 3.236 2.764 1.00 0.00 C ATOM 1080 C LEU A 71 -16.250 4.520 2.152 1.00 0.00 C ATOM 1081 O LEU A 71 -16.941 4.476 1.135 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.157 3.184 2.784 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.536 2.021 3.559 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -12.045 1.885 3.242 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.792 2.163 5.060 1.00 0.00 C ATOM 0 H LEU A 71 -15.529 1.402 1.760 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.996 3.217 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.801 3.140 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.787 4.117 3.209 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.019 1.099 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.628 1.051 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.915 1.703 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.529 2.804 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.340 1.323 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.353 3.095 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.866 2.173 5.247 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.935 5.633 2.797 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.401 6.927 2.329 1.00 0.00 C ATOM 1099 C ALA A 72 -15.426 7.468 1.281 1.00 0.00 C ATOM 1100 O ALA A 72 -15.827 8.185 0.366 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.561 7.874 3.520 1.00 0.00 C ATOM 0 H ALA A 72 -15.362 5.666 3.640 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.377 6.833 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.911 8.845 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.286 7.459 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.600 7.994 4.021 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.164 7.102 1.450 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.128 7.542 0.530 1.00 0.00 C ATOM 1109 C ASP A 73 -11.755 7.212 1.119 1.00 0.00 C ATOM 1110 O ASP A 73 -11.312 7.858 2.068 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.196 9.053 0.306 1.00 0.00 C ATOM 1112 CG ASP A 73 -11.944 9.671 -0.320 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.525 9.155 -1.379 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.434 10.645 0.274 1.00 0.00 O ATOM 0 H ASP A 73 -13.835 6.506 2.210 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.281 7.030 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.050 9.272 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.383 9.539 1.264 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.121 6.208 0.533 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.807 5.785 0.988 1.00 0.00 C ATOM 1121 C LEU A 74 -8.742 6.330 0.035 1.00 0.00 C ATOM 1122 O LEU A 74 -8.919 6.301 -1.182 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.762 4.265 1.156 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.403 3.671 1.534 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -8.185 3.720 3.047 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.250 2.254 0.977 1.00 0.00 C ATOM 0 H LEU A 74 -11.492 5.675 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.594 6.198 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.485 3.983 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.090 3.806 0.223 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.624 4.282 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.212 3.292 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.220 4.755 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.967 3.148 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.276 1.855 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.035 1.617 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.330 2.280 -0.110 1.00 0.00 H new ATOM 1138 N SER A 75 -7.659 6.814 0.625 1.00 0.00 N ATOM 1139 CA SER A 75 -6.564 7.365 -0.157 1.00 0.00 C ATOM 1140 C SER A 75 -5.235 7.124 0.561 1.00 0.00 C ATOM 1141 O SER A 75 -5.207 6.543 1.645 1.00 0.00 O ATOM 1142 CB SER A 75 -6.767 8.861 -0.410 1.00 0.00 C ATOM 1143 OG SER A 75 -8.051 9.140 -0.960 1.00 0.00 O ATOM 0 H SER A 75 -7.516 6.836 1.635 1.00 0.00 H new ATOM 0 HA SER A 75 -6.545 6.860 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.647 9.406 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.995 9.222 -1.090 1.00 0.00 H new ATOM 0 HG SER A 75 -8.142 10.105 -1.105 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.165 7.581 -0.073 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.836 7.422 0.491 1.00 0.00 C ATOM 1151 C CYS A 76 -1.943 8.535 -0.061 1.00 0.00 C ATOM 1152 O CYS A 76 -2.263 9.144 -1.081 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.261 6.034 0.202 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.452 5.635 -1.573 1.00 0.00 S ATOM 0 H CYS A 76 -4.192 8.062 -0.972 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.887 7.503 1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.207 6.003 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.772 5.286 0.808 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.510 6.228 -2.040 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.842 8.768 0.638 1.00 0.00 N ATOM 1161 CA LEU A 77 0.100 9.797 0.231 1.00 0.00 C ATOM 1162 C LEU A 77 1.479 9.169 0.027 1.00 0.00 C ATOM 1163 O LEU A 77 2.006 8.513 0.925 1.00 0.00 O ATOM 1164 CB LEU A 77 0.093 10.955 1.231 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.164 11.827 1.240 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.633 12.127 -0.185 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.269 11.187 2.084 1.00 0.00 C ATOM 0 H LEU A 77 -0.581 8.262 1.484 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.197 10.229 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.234 10.546 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.952 11.593 1.024 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.915 12.781 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.528 12.748 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.846 12.654 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.860 11.192 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.151 11.827 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.524 10.211 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.920 11.067 3.110 1.00 0.00 H new ATOM 1179 N VAL A 78 2.026 9.391 -1.159 1.00 0.00 N ATOM 1180 CA VAL A 78 3.335 8.854 -1.493 1.00 0.00 C ATOM 1181 C VAL A 78 4.373 9.975 -1.424 1.00 0.00 C ATOM 1182 O VAL A 78 4.163 11.056 -1.972 1.00 0.00 O ATOM 1183 CB VAL A 78 3.286 8.168 -2.859 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.587 7.412 -3.140 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.077 7.235 -2.962 1.00 0.00 C ATOM 0 H VAL A 78 1.587 9.936 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 78 3.631 8.092 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 78 3.177 8.942 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.526 6.933 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.423 8.111 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.739 6.653 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.066 6.760 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.141 6.469 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.161 7.810 -2.827 1.00 0.00 H new ATOM 1195 N TYR A 79 5.473 9.679 -0.746 1.00 0.00 N ATOM 1196 CA TYR A 79 6.545 10.649 -0.598 1.00 0.00 C ATOM 1197 C TYR A 79 7.614 10.452 -1.674 1.00 0.00 C ATOM 1198 O TYR A 79 8.309 9.436 -1.685 1.00 0.00 O ATOM 1199 CB TYR A 79 7.165 10.385 0.776 1.00 0.00 C ATOM 1200 CG TYR A 79 8.052 11.523 1.287 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.153 11.921 0.556 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.751 12.150 2.478 1.00 0.00 C ATOM 1203 CE1 TYR A 79 9.988 12.991 1.037 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.585 13.221 2.959 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.663 13.588 2.214 1.00 0.00 C ATOM 1206 OH TYR A 79 10.451 14.599 2.669 1.00 0.00 O ATOM 0 H TYR A 79 5.645 8.781 -0.293 1.00 0.00 H new ATOM 0 HA TYR A 79 6.161 11.664 -0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.366 10.209 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.757 9.471 0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.388 11.430 -0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.890 11.838 3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.853 13.312 0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.360 13.721 3.889 1.00 0.00 H new ATOM 0 HH TYR A 79 10.097 14.931 3.520 1.00 0.00 H new ATOM 1216 N ARG A 80 7.714 11.439 -2.552 1.00 0.00 N ATOM 1217 CA ARG A 80 8.687 11.387 -3.629 1.00 0.00 C ATOM 1218 C ARG A 80 9.799 12.411 -3.390 1.00 0.00 C ATOM 1219 O ARG A 80 9.559 13.616 -3.442 1.00 0.00 O ATOM 1220 CB ARG A 80 8.028 11.667 -4.981 1.00 0.00 C ATOM 1221 CG ARG A 80 7.075 12.861 -4.890 1.00 0.00 C ATOM 1222 CD ARG A 80 6.806 13.454 -6.274 1.00 0.00 C ATOM 1223 NE ARG A 80 5.464 14.077 -6.305 1.00 0.00 N ATOM 1224 CZ ARG A 80 4.926 14.649 -7.391 1.00 0.00 C ATOM 1225 NH1 ARG A 80 5.613 14.680 -8.542 1.00 0.00 N ATOM 1226 NH2 ARG A 80 3.702 15.189 -7.327 1.00 0.00 N ATOM 0 H ARG A 80 7.137 12.280 -2.539 1.00 0.00 H new ATOM 0 HA ARG A 80 9.110 10.383 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.795 11.866 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.481 10.785 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.135 12.547 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.503 13.624 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.567 14.197 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.871 12.674 -7.032 1.00 0.00 H new ATOM 0 HE ARG A 80 4.914 14.071 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.545 14.268 -8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.204 15.115 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.179 15.165 -6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.293 15.624 -8.154 1.00 0.00 H new ATOM 1240 N ALA A 81 10.991 11.893 -3.133 1.00 0.00 N ATOM 1241 CA ALA A 81 12.141 12.747 -2.886 1.00 0.00 C ATOM 1242 C ALA A 81 12.354 13.668 -4.089 1.00 0.00 C ATOM 1243 O ALA A 81 13.035 14.687 -3.982 1.00 0.00 O ATOM 1244 CB ALA A 81 13.366 11.881 -2.590 1.00 0.00 C ATOM 0 H ALA A 81 11.186 10.893 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 81 11.970 13.378 -2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.228 12.522 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.174 11.268 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.570 11.236 -3.444 1.00 0.00 H new ATOM 1250 N ASP A 82 11.760 13.276 -5.207 1.00 0.00 N ATOM 1251 CA ASP A 82 11.877 14.054 -6.428 1.00 0.00 C ATOM 1252 C ASP A 82 11.551 15.519 -6.128 1.00 0.00 C ATOM 1253 O ASP A 82 12.335 16.411 -6.450 1.00 0.00 O ATOM 1254 CB ASP A 82 10.894 13.560 -7.492 1.00 0.00 C ATOM 1255 CG ASP A 82 11.307 13.846 -8.937 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.320 14.559 -9.107 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.601 13.346 -9.839 1.00 0.00 O ATOM 0 H ASP A 82 11.197 12.430 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 82 12.896 13.946 -6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.764 12.484 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.923 14.020 -7.310 1.00 0.00 H new ATOM 1262 N THR A 83 10.394 15.721 -5.515 1.00 0.00 N ATOM 1263 CA THR A 83 9.956 17.063 -5.169 1.00 0.00 C ATOM 1264 C THR A 83 9.571 17.132 -3.689 1.00 0.00 C ATOM 1265 O THR A 83 8.921 18.082 -3.258 1.00 0.00 O ATOM 1266 CB THR A 83 8.814 17.446 -6.112 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.865 16.395 -5.952 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.219 17.361 -7.585 1.00 0.00 C ATOM 0 H THR A 83 9.747 14.979 -5.249 1.00 0.00 H new ATOM 0 HA THR A 83 10.760 17.788 -5.299 1.00 0.00 H new ATOM 0 HB THR A 83 8.479 18.458 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.090 16.564 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.373 17.643 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.052 18.039 -7.773 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.521 16.341 -7.821 1.00 0.00 H new ATOM 1276 N GLN A 84 9.990 16.113 -2.954 1.00 0.00 N ATOM 1277 CA GLN A 84 9.698 16.047 -1.532 1.00 0.00 C ATOM 1278 C GLN A 84 8.275 16.539 -1.259 1.00 0.00 C ATOM 1279 O GLN A 84 8.080 17.522 -0.546 1.00 0.00 O ATOM 1280 CB GLN A 84 10.720 16.849 -0.724 1.00 0.00 C ATOM 1281 CG GLN A 84 12.003 16.044 -0.510 1.00 0.00 C ATOM 1282 CD GLN A 84 13.228 16.831 -0.979 1.00 0.00 C ATOM 1283 OE1 GLN A 84 13.358 18.022 -0.749 1.00 0.00 O ATOM 1284 NE2 GLN A 84 14.117 16.101 -1.646 1.00 0.00 N ATOM 0 H GLN A 84 10.529 15.326 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 84 9.769 15.007 -1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.952 17.778 -1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.293 17.122 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.109 15.795 0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.941 15.102 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.946 15.108 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.970 16.534 -2.000 1.00 0.00 H new ATOM 1293 N THR A 85 7.317 15.832 -1.841 1.00 0.00 N ATOM 1294 CA THR A 85 5.918 16.185 -1.670 1.00 0.00 C ATOM 1295 C THR A 85 5.081 14.932 -1.404 1.00 0.00 C ATOM 1296 O THR A 85 5.614 13.898 -1.007 1.00 0.00 O ATOM 1297 CB THR A 85 5.471 16.963 -2.909 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.182 17.460 -2.561 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.207 16.051 -4.109 1.00 0.00 C ATOM 0 H THR A 85 7.482 15.017 -2.431 1.00 0.00 H new ATOM 0 HA THR A 85 5.775 16.824 -0.799 1.00 0.00 H new ATOM 0 HB THR A 85 6.233 17.697 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.549 17.262 -3.283 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.893 16.653 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.119 15.511 -4.363 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.421 15.339 -3.859 1.00 0.00 H new ATOM 1307 N TYR A 86 3.783 15.067 -1.634 1.00 0.00 N ATOM 1308 CA TYR A 86 2.867 13.959 -1.425 1.00 0.00 C ATOM 1309 C TYR A 86 1.898 13.818 -2.601 1.00 0.00 C ATOM 1310 O TYR A 86 1.331 14.807 -3.064 1.00 0.00 O ATOM 1311 CB TYR A 86 2.072 14.302 -0.163 1.00 0.00 C ATOM 1312 CG TYR A 86 1.139 15.504 -0.323 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.664 16.778 -0.399 1.00 0.00 C ATOM 1314 CD2 TYR A 86 -0.226 15.314 -0.390 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.786 17.910 -0.549 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -1.103 16.446 -0.540 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.554 17.688 -0.612 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.383 18.757 -0.754 1.00 0.00 O ATOM 0 H TYR A 86 3.344 15.927 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 86 3.414 13.021 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.482 13.433 0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.770 14.502 0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.732 16.926 -0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.636 14.317 -0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.183 18.912 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.173 16.312 -0.594 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.313 18.448 -0.786 1.00 0.00 H new ATOM 1328 N GLN A 87 1.739 12.582 -3.051 1.00 0.00 N ATOM 1329 CA GLN A 87 0.849 12.300 -4.164 1.00 0.00 C ATOM 1330 C GLN A 87 -0.437 11.640 -3.661 1.00 0.00 C ATOM 1331 O GLN A 87 -0.414 10.503 -3.192 1.00 0.00 O ATOM 1332 CB GLN A 87 1.541 11.425 -5.211 1.00 0.00 C ATOM 1333 CG GLN A 87 2.253 12.283 -6.258 1.00 0.00 C ATOM 1334 CD GLN A 87 1.254 12.871 -7.256 1.00 0.00 C ATOM 1335 OE1 GLN A 87 1.056 14.072 -7.341 1.00 0.00 O ATOM 1336 NE2 GLN A 87 0.638 11.961 -8.005 1.00 0.00 N ATOM 0 H GLN A 87 2.212 11.765 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 87 0.587 13.244 -4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.261 10.768 -4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.806 10.785 -5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.797 13.089 -5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.990 11.679 -6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.851 10.971 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.047 12.253 -8.702 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.558 12.401 -3.779 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.851 11.903 -3.342 1.00 0.00 C ATOM 1347 C PRO A 88 -3.404 10.874 -4.330 1.00 0.00 C ATOM 1348 O PRO A 88 -3.814 11.226 -5.435 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.728 13.138 -3.218 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.038 14.222 -4.032 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.624 13.752 -4.330 1.00 0.00 C ATOM 0 HA PRO A 88 -2.798 11.372 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.732 12.944 -3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.833 13.439 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.582 14.408 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.020 15.161 -3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.424 13.753 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.884 14.405 -3.867 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.398 9.621 -3.896 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.893 8.539 -4.729 1.00 0.00 C ATOM 1361 C TYR A 89 -5.233 8.015 -4.207 1.00 0.00 C ATOM 1362 O TYR A 89 -5.476 8.015 -3.001 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.851 7.422 -4.634 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.554 7.717 -5.389 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.484 7.500 -6.751 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.454 8.198 -4.709 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.262 7.777 -7.462 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.768 8.475 -5.420 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.803 8.251 -6.761 1.00 0.00 C ATOM 1370 OH TYR A 89 1.956 8.513 -7.433 1.00 0.00 O ATOM 0 H TYR A 89 -3.058 9.332 -2.979 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.046 8.882 -5.752 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.616 7.246 -3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.284 6.500 -5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.345 7.123 -7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.509 8.367 -3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.193 7.612 -8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.636 8.852 -4.900 1.00 0.00 H new ATOM 0 HH TYR A 89 2.631 8.847 -6.806 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.067 7.582 -5.141 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.376 7.057 -4.790 1.00 0.00 C ATOM 1382 C ASN A 90 -7.222 5.632 -4.257 1.00 0.00 C ATOM 1383 O ASN A 90 -6.157 5.030 -4.381 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.295 7.008 -6.012 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.176 8.257 -6.086 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -8.987 9.134 -6.912 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.148 8.287 -5.178 1.00 0.00 N ATOM 0 H ASN A 90 -5.862 7.584 -6.140 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.812 7.713 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.696 6.927 -6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.923 6.118 -5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.791 9.078 -5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.250 7.519 -4.515 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.303 5.132 -3.674 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.302 3.789 -3.121 1.00 0.00 C ATOM 1396 C LYS A 91 -8.017 2.782 -4.238 1.00 0.00 C ATOM 1397 O LYS A 91 -7.363 1.766 -4.011 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.606 3.518 -2.368 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.779 3.366 -3.338 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.024 4.081 -2.810 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.604 3.348 -1.599 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.704 4.133 -0.996 1.00 0.00 N ATOM 0 H LYS A 91 -9.185 5.634 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.507 3.682 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.504 2.612 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.806 4.335 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.506 3.774 -4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.998 2.309 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.770 5.104 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.775 4.141 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.972 2.368 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.821 3.180 -0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.279 3.515 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.306 4.906 -0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.301 4.530 -1.750 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.523 3.101 -5.421 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.331 2.237 -6.574 1.00 0.00 C ATOM 1418 C ASP A 92 -6.833 2.028 -6.805 1.00 0.00 C ATOM 1419 O ASP A 92 -6.378 0.896 -6.965 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.921 2.866 -7.837 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.953 2.004 -8.567 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -11.069 1.869 -8.020 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -9.603 1.500 -9.656 1.00 0.00 O ATOM 0 H ASP A 92 -9.065 3.945 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.833 1.290 -6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.386 3.815 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.107 3.093 -8.526 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.108 3.137 -6.816 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.671 3.089 -7.026 1.00 0.00 C ATOM 1430 C TRP A 93 -4.081 2.087 -6.031 1.00 0.00 C ATOM 1431 O TRP A 93 -3.210 1.294 -6.385 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.053 4.483 -6.907 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.541 4.516 -7.143 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.887 4.459 -8.311 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.516 4.617 -6.133 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.520 4.516 -8.128 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.287 4.615 -6.762 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.622 4.707 -4.734 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.928 4.700 -6.071 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.399 4.792 -4.058 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.846 4.790 -4.676 1.00 0.00 C ATOM 0 H TRP A 93 -6.489 4.074 -6.683 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.440 2.753 -8.037 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.537 5.146 -7.624 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.264 4.879 -5.914 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.369 4.379 -9.274 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.189 4.490 -8.861 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.572 4.710 -4.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.877 4.696 -6.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.425 4.864 -2.981 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.746 4.858 -4.083 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.579 2.157 -4.805 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.113 1.266 -3.756 1.00 0.00 C ATOM 1454 C ILE A 94 -4.558 -0.164 -4.071 1.00 0.00 C ATOM 1455 O ILE A 94 -3.735 -1.077 -4.121 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.573 1.765 -2.385 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.074 3.187 -2.123 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.151 0.796 -1.278 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.145 4.024 -1.420 1.00 0.00 C ATOM 0 H ILE A 94 -5.301 2.817 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.024 1.260 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.662 1.801 -2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.174 3.153 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.799 3.659 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.491 1.175 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.597 -0.182 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.065 0.704 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.764 5.030 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.035 4.076 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.400 3.562 -0.466 1.00 0.00 H new ATOM 1471 N LYS A 95 -5.858 -0.313 -4.276 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.423 -1.616 -4.585 1.00 0.00 C ATOM 1473 C LYS A 95 -5.461 -2.379 -5.497 1.00 0.00 C ATOM 1474 O LYS A 95 -5.381 -3.605 -5.433 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.831 -1.466 -5.163 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.802 -0.927 -4.109 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.196 -1.530 -4.289 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.838 -1.048 -5.592 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.138 -1.721 -5.810 1.00 0.00 N ATOM 0 H LYS A 95 -6.537 0.447 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.539 -2.207 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.807 -0.792 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.183 -2.431 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.428 -1.159 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.859 0.159 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.128 -2.618 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.827 -1.254 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.983 0.032 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.171 -1.252 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.560 -1.382 -6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.992 -2.749 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.778 -1.505 -5.019 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.757 -1.623 -6.326 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.804 -2.214 -7.251 1.00 0.00 C ATOM 1495 C GLU A 96 -2.509 -2.576 -6.521 1.00 0.00 C ATOM 1496 O GLU A 96 -2.111 -3.739 -6.495 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.526 -1.275 -8.426 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.800 -1.015 -9.234 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.073 -2.162 -10.210 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.084 -2.662 -10.788 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -6.264 -2.511 -10.356 1.00 0.00 O ATOM 0 H GLU A 96 -4.827 -0.607 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.239 -3.129 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.127 -0.331 -8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.764 -1.711 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.647 -0.899 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.701 -0.080 -9.785 1.00 0.00 H new ATOM 1508 N LYS A 97 -1.888 -1.557 -5.945 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.646 -1.753 -5.216 1.00 0.00 C ATOM 1510 C LYS A 97 -0.820 -2.902 -4.221 1.00 0.00 C ATOM 1511 O LYS A 97 -0.013 -3.829 -4.190 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.192 -0.442 -4.569 1.00 0.00 C ATOM 1513 CG LYS A 97 1.009 0.147 -5.311 1.00 0.00 C ATOM 1514 CD LYS A 97 0.709 0.307 -6.803 1.00 0.00 C ATOM 1515 CE LYS A 97 0.120 1.688 -7.099 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.073 1.929 -8.558 1.00 0.00 N ATOM 0 H LYS A 97 -2.222 -0.593 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 97 0.155 -2.039 -5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.014 0.274 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.071 -0.619 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.266 1.116 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.876 -0.500 -5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.624 0.167 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.010 -0.466 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.884 1.759 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.722 2.458 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.391 2.841 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.041 1.949 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.464 1.167 -9.019 1.00 0.00 H new ATOM 1530 N ILE A 98 -1.879 -2.803 -3.431 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.170 -3.822 -2.437 1.00 0.00 C ATOM 1532 C ILE A 98 -2.253 -5.187 -3.122 1.00 0.00 C ATOM 1533 O ILE A 98 -1.639 -6.152 -2.669 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.425 -3.454 -1.643 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -3.763 -4.540 -0.619 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.600 -3.163 -2.579 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -4.908 -4.095 0.293 1.00 0.00 C ATOM 0 H ILE A 98 -2.546 -2.032 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.365 -3.881 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.222 -2.539 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.041 -5.459 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.882 -4.766 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.479 -2.904 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.345 -2.331 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.814 -4.047 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.129 -4.884 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.618 -3.190 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.795 -3.893 -0.308 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.018 -5.225 -4.203 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.190 -6.456 -4.956 1.00 0.00 C ATOM 1551 C TYR A 99 -1.849 -6.965 -5.488 1.00 0.00 C ATOM 1552 O TYR A 99 -1.507 -8.132 -5.306 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.094 -6.105 -6.138 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.243 -7.230 -7.164 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.181 -7.566 -7.979 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.439 -7.910 -7.274 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.321 -8.625 -8.945 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.579 -8.970 -8.240 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.513 -9.275 -9.027 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.645 -10.275 -9.939 1.00 0.00 O ATOM 0 H TYR A 99 -3.526 -4.423 -4.576 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.613 -7.236 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.081 -5.839 -5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.695 -5.222 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.245 -7.035 -7.892 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.270 -7.648 -6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.498 -8.897 -9.590 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.509 -9.510 -8.337 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.549 -10.650 -9.885 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.125 -6.064 -6.136 1.00 0.00 N ATOM 1571 CA VAL A 100 0.171 -6.406 -6.696 1.00 0.00 C ATOM 1572 C VAL A 100 1.158 -6.679 -5.559 1.00 0.00 C ATOM 1573 O VAL A 100 2.252 -7.191 -5.791 1.00 0.00 O ATOM 1574 CB VAL A 100 0.641 -5.300 -7.643 1.00 0.00 C ATOM 1575 CG1 VAL A 100 2.006 -5.638 -8.245 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.393 -5.043 -8.741 1.00 0.00 C ATOM 0 H VAL A 100 -1.412 -5.097 -6.286 1.00 0.00 H new ATOM 0 HA VAL A 100 0.101 -7.317 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 100 0.748 -4.384 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.317 -4.836 -8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.739 -5.749 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.936 -6.571 -8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.035 -4.253 -9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.546 -5.955 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.336 -4.738 -8.288 1.00 0.00 H new ATOM 1586 N LEU A 101 0.735 -6.324 -4.354 1.00 0.00 N ATOM 1587 CA LEU A 101 1.568 -6.523 -3.180 1.00 0.00 C ATOM 1588 C LEU A 101 1.415 -7.965 -2.691 1.00 0.00 C ATOM 1589 O LEU A 101 2.301 -8.494 -2.021 1.00 0.00 O ATOM 1590 CB LEU A 101 1.250 -5.474 -2.113 1.00 0.00 C ATOM 1591 CG LEU A 101 1.329 -5.949 -0.661 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.652 -5.528 -0.018 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.121 -5.462 0.142 1.00 0.00 C ATOM 0 H LEU A 101 -0.173 -5.900 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 101 2.619 -6.380 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.937 -4.637 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.246 -5.092 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 101 1.301 -7.039 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.683 -5.878 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.482 -5.964 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.735 -4.441 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.202 -5.814 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.093 -4.372 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.794 -5.853 -0.304 1.00 0.00 H new ATOM 1605 N LEU A 102 0.284 -8.558 -3.043 1.00 0.00 N ATOM 1606 CA LEU A 102 0.003 -9.928 -2.647 1.00 0.00 C ATOM 1607 C LEU A 102 0.568 -10.884 -3.700 1.00 0.00 C ATOM 1608 O LEU A 102 1.292 -11.821 -3.367 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.493 -10.115 -2.387 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.254 -8.870 -1.927 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -3.690 -9.220 -1.530 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -1.506 -8.156 -0.799 1.00 0.00 C ATOM 0 H LEU A 102 -0.449 -8.115 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 102 0.498 -10.161 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.957 -10.483 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.616 -10.892 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.312 -8.176 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.209 -8.317 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.210 -9.650 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.676 -9.942 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.068 -7.275 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.396 -8.832 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.520 -7.853 -1.151 1.00 0.00 H new ATOM 1624 N ARG A 103 0.216 -10.614 -4.948 1.00 0.00 N ATOM 1625 CA ARG A 103 0.678 -11.439 -6.051 1.00 0.00 C ATOM 1626 C ARG A 103 2.104 -11.928 -5.787 1.00 0.00 C ATOM 1627 O ARG A 103 2.423 -13.088 -6.042 1.00 0.00 O ATOM 1628 CB ARG A 103 0.649 -10.663 -7.369 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.745 -10.093 -7.639 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.833 -11.067 -7.184 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.586 -12.408 -7.761 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.437 -13.438 -7.661 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.595 -13.288 -7.005 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.129 -14.618 -8.216 1.00 0.00 N ATOM 0 H ARG A 103 -0.384 -9.835 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 103 0.006 -12.293 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.377 -9.852 -7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.942 -11.319 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.861 -9.143 -7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.858 -9.888 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.847 -11.127 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.812 -10.703 -7.495 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.713 -12.557 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.829 -12.390 -6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -4.243 -14.072 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.247 -14.732 -8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.777 -15.402 -8.140 1.00 0.00 H new ATOM 1648 N ARG A 104 2.923 -11.018 -5.279 1.00 0.00 N ATOM 1649 CA ARG A 104 4.307 -11.342 -4.977 1.00 0.00 C ATOM 1650 C ARG A 104 4.395 -12.121 -3.663 1.00 0.00 C ATOM 1651 O ARG A 104 5.117 -13.112 -3.572 1.00 0.00 O ATOM 1652 CB ARG A 104 5.158 -10.076 -4.870 1.00 0.00 C ATOM 1653 CG ARG A 104 4.700 -9.205 -3.699 1.00 0.00 C ATOM 1654 CD ARG A 104 5.209 -7.770 -3.851 1.00 0.00 C ATOM 1655 NE ARG A 104 6.627 -7.689 -3.433 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.029 -7.552 -2.162 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.123 -7.480 -1.177 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.336 -7.487 -1.877 1.00 0.00 N ATOM 0 H ARG A 104 2.654 -10.057 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 104 4.690 -11.955 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.205 -10.348 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.090 -9.509 -5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.611 -9.205 -3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.065 -9.627 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.108 -7.447 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.604 -7.095 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 104 7.343 -7.741 -4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.128 -7.530 -1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.429 -7.376 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.025 -7.542 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.642 -7.383 -0.910 1.00 0.00 H new ATOM 1672 N GLN A 105 3.650 -11.642 -2.677 1.00 0.00 N ATOM 1673 CA GLN A 105 3.636 -12.280 -1.372 1.00 0.00 C ATOM 1674 C GLN A 105 3.589 -13.802 -1.526 1.00 0.00 C ATOM 1675 O GLN A 105 4.215 -14.527 -0.755 1.00 0.00 O ATOM 1676 CB GLN A 105 2.462 -11.778 -0.529 1.00 0.00 C ATOM 1677 CG GLN A 105 2.785 -10.427 0.112 1.00 0.00 C ATOM 1678 CD GLN A 105 2.742 -10.521 1.639 1.00 0.00 C ATOM 1679 OE1 GLN A 105 3.299 -11.419 2.247 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.051 -9.545 2.221 1.00 0.00 N ATOM 0 H GLN A 105 3.052 -10.820 -2.756 1.00 0.00 H new ATOM 0 HA GLN A 105 4.555 -12.015 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.574 -11.685 -1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.230 -12.507 0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.773 -10.095 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.071 -9.678 -0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.609 -8.823 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.963 -9.518 3.237 1.00 0.00 H new ATOM 1689 N ALA A 106 2.840 -14.240 -2.528 1.00 0.00 N ATOM 1690 CA ALA A 106 2.704 -15.662 -2.793 1.00 0.00 C ATOM 1691 C ALA A 106 4.094 -16.289 -2.917 1.00 0.00 C ATOM 1692 O ALA A 106 4.602 -16.876 -1.963 1.00 0.00 O ATOM 1693 CB ALA A 106 1.856 -15.869 -4.049 1.00 0.00 C ATOM 0 H ALA A 106 2.322 -13.635 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 106 2.191 -16.158 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.754 -16.936 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.869 -15.432 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.340 -15.387 -4.898 1.00 0.00 H new ATOM 1699 N GLN A 107 4.669 -16.144 -4.102 1.00 0.00 N ATOM 1700 CA GLN A 107 5.990 -16.689 -4.364 1.00 0.00 C ATOM 1701 C GLN A 107 6.794 -15.732 -5.247 1.00 0.00 C ATOM 1702 O GLN A 107 7.689 -15.040 -4.764 1.00 0.00 O ATOM 1703 CB GLN A 107 5.895 -18.075 -5.004 1.00 0.00 C ATOM 1704 CG GLN A 107 5.676 -19.155 -3.943 1.00 0.00 C ATOM 1705 CD GLN A 107 6.958 -19.956 -3.703 1.00 0.00 C ATOM 1706 OE1 GLN A 107 7.294 -20.873 -4.434 1.00 0.00 O ATOM 1707 NE2 GLN A 107 7.653 -19.559 -2.640 1.00 0.00 N ATOM 0 H GLN A 107 4.244 -15.657 -4.891 1.00 0.00 H new ATOM 0 HA GLN A 107 6.511 -16.799 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.074 -18.093 -5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.809 -18.286 -5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.352 -18.693 -3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.878 -19.826 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.315 -18.784 -2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.524 -20.030 -2.395 1.00 0.00 H new ATOM 1716 N GLN A 108 6.445 -15.723 -6.525 1.00 0.00 N ATOM 1717 CA GLN A 108 7.123 -14.862 -7.479 1.00 0.00 C ATOM 1718 C GLN A 108 8.509 -15.420 -7.806 1.00 0.00 C ATOM 1719 O GLN A 108 8.730 -15.945 -8.897 1.00 0.00 O ATOM 1720 CB GLN A 108 7.219 -13.429 -6.953 1.00 0.00 C ATOM 1721 CG GLN A 108 6.914 -12.417 -8.059 1.00 0.00 C ATOM 1722 CD GLN A 108 8.193 -11.728 -8.540 1.00 0.00 C ATOM 1723 OE1 GLN A 108 9.268 -11.906 -7.993 1.00 0.00 O ATOM 1724 NE2 GLN A 108 8.016 -10.933 -9.592 1.00 0.00 N ATOM 0 H GLN A 108 5.702 -16.298 -6.922 1.00 0.00 H new ATOM 0 HA GLN A 108 6.537 -14.838 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.520 -13.293 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.218 -13.250 -6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 108 6.432 -12.922 -8.896 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.211 -11.670 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.088 -10.829 -10.002 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.808 -10.428 -9.988 1.00 0.00 H new ATOM 1733 N ALA A 109 9.408 -15.288 -6.842 1.00 0.00 N ATOM 1734 CA ALA A 109 10.767 -15.773 -7.014 1.00 0.00 C ATOM 1735 C ALA A 109 11.315 -15.277 -8.354 1.00 0.00 C ATOM 1736 O ALA A 109 11.579 -16.074 -9.253 1.00 0.00 O ATOM 1737 CB ALA A 109 10.782 -17.299 -6.906 1.00 0.00 C ATOM 0 H ALA A 109 9.222 -14.852 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 109 11.416 -15.385 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.801 -17.663 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.411 -17.598 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.144 -17.725 -7.680 1.00 0.00 H new ATOM 1743 N GLY A 110 11.470 -13.964 -8.444 1.00 0.00 N ATOM 1744 CA GLY A 110 11.981 -13.353 -9.659 1.00 0.00 C ATOM 1745 C GLY A 110 11.366 -14.002 -10.900 1.00 0.00 C ATOM 1746 O GLY A 110 12.077 -14.343 -11.844 1.00 0.00 O ATOM 0 H GLY A 110 11.251 -13.307 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.759 -12.286 -9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.066 -13.453 -9.692 1.00 0.00 H new ATOM 1750 N LYS A 111 10.050 -14.152 -10.859 1.00 0.00 N ATOM 1751 CA LYS A 111 9.331 -14.754 -11.969 1.00 0.00 C ATOM 1752 C LYS A 111 9.763 -16.213 -12.120 1.00 0.00 C ATOM 1753 O LYS A 111 9.275 -17.086 -11.404 1.00 0.00 O ATOM 1754 CB LYS A 111 9.516 -13.923 -13.241 1.00 0.00 C ATOM 1755 CG LYS A 111 8.347 -12.955 -13.438 1.00 0.00 C ATOM 1756 CD LYS A 111 8.576 -12.061 -14.658 1.00 0.00 C ATOM 1757 CE LYS A 111 8.615 -10.585 -14.256 1.00 0.00 C ATOM 1758 NZ LYS A 111 9.732 -9.892 -14.936 1.00 0.00 N ATOM 0 H LYS A 111 9.463 -13.867 -10.075 1.00 0.00 H new ATOM 0 HA LYS A 111 8.259 -14.758 -11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.450 -13.364 -13.182 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.595 -14.585 -14.104 1.00 0.00 H new ATOM 0 HG2 LYS A 111 7.422 -13.517 -13.563 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.227 -12.338 -12.548 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.513 -12.334 -15.143 1.00 0.00 H new ATOM 0 HD3 LYS A 111 7.781 -12.223 -15.386 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.671 -10.106 -14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 111 8.730 -10.499 -13.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 9.744 -8.892 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.632 -10.339 -14.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 9.606 -9.958 -15.966 1.00 0.00 H new TER 1772 LYS A 111