USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 68 ASN : amide:sc= 0.0844 K(o=0.084,f=-1.1) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 19 ASN : amide:sc= 0.955 K(o=1.3,f=0.092) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.393 K(o=1.3,f=0.37) USER MOD Single : A 17 HIS : no HD1:sc= 0.432 K(o=0.43,f=-7.2!) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 1.26 (180deg=0.843) USER MOD Single : A 25 GLN : amide:sc= 1.08 K(o=1.1,f=-0.69) USER MOD Single : A 28 SER OG : rot -38:sc= 0.657 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= 1.4 (180deg=0.257) USER MOD Single : A 37 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-2.7!) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.64 USER MOD Single : A 41 SER OG : rot -115:sc= 1.29 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.08) USER MOD Single : A 44 MET CE :methyl 180:sc= -0.317 (180deg=-0.317) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 81:sc= 0.169 USER MOD Single : A 51 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.069) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00504 USER MOD Single : A 55 MET CE :methyl -119:sc= 0 (180deg=-0.155) USER MOD Single : A 57 GLN : amide:sc=-0.000387 K(o=-0.00039,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.47) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 75 GLN : amide:sc= -0.0317 K(o=-0.032,f=-0.65) USER MOD Single : A 78 MET CE :methyl -159:sc= -0.686 (180deg=-1.68) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 89 GLN : amide:sc= 0.986 K(o=0.99,f=-4.6!) USER MOD Single : A 90 GLN : amide:sc= 0.0546 K(o=0.055,f=-3.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.390 15.538 0.772 1.00 10.00 N ATOM 2 CA ASP A 16 9.390 15.130 1.751 1.00 10.00 C ATOM 3 C ASP A 16 8.555 13.978 1.207 1.00 10.00 C ATOM 4 O ASP A 16 8.837 13.454 0.128 1.00 10.00 O ATOM 5 CB ASP A 16 8.476 16.305 2.110 1.00 10.00 C ATOM 6 CG ASP A 16 9.092 17.246 3.129 1.00 10.00 C ATOM 7 OD1 ASP A 16 9.159 16.879 4.322 1.00 10.00 O ATOM 8 OD2 ASP A 16 9.496 18.366 2.739 1.00 10.00 O ATOM 0 HA ASP A 16 9.910 14.801 2.651 1.00 10.00 H new ATOM 0 HB2 ASP A 16 8.239 16.864 1.205 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.535 15.919 2.502 1.00 10.00 H new ATOM 13 N HIS A 17 7.531 13.591 1.953 1.00 10.00 N ATOM 14 CA HIS A 17 6.651 12.501 1.549 1.00 10.00 C ATOM 15 C HIS A 17 5.300 13.043 1.103 1.00 10.00 C ATOM 16 O HIS A 17 4.920 14.155 1.470 1.00 10.00 O ATOM 17 CB HIS A 17 6.439 11.526 2.711 1.00 10.00 C ATOM 18 CG HIS A 17 7.592 10.608 2.965 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.718 11.034 3.629 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.730 9.298 2.656 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.510 9.978 3.712 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.951 8.908 3.136 1.00 10.00 N ATOM 0 H HIS A 17 7.287 14.018 2.847 1.00 10.00 H new ATOM 0 HA HIS A 17 7.124 11.978 0.717 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.239 12.098 3.617 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.551 10.927 2.509 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.016 8.680 2.132 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.482 9.979 4.183 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.359 7.975 3.067 1.00 10.00 H new ATOM 30 N ILE A 18 4.583 12.260 0.315 1.00 10.00 N ATOM 31 CA ILE A 18 3.267 12.652 -0.157 1.00 10.00 C ATOM 32 C ILE A 18 2.204 11.820 0.563 1.00 10.00 C ATOM 33 O ILE A 18 2.380 10.616 0.764 1.00 10.00 O ATOM 34 CB ILE A 18 3.139 12.504 -1.698 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.831 13.130 -2.188 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.226 11.044 -2.127 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.694 13.151 -3.695 1.00 10.00 C ATOM 0 H ILE A 18 4.892 11.345 -0.012 1.00 10.00 H new ATOM 0 HA ILE A 18 3.117 13.707 0.071 1.00 10.00 H new ATOM 0 HB ILE A 18 3.975 13.034 -2.154 1.00 10.00 H new ATOM 0 HG12 ILE A 18 0.993 12.578 -1.763 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.764 14.151 -1.812 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.133 10.977 -3.211 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.187 10.631 -1.819 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.421 10.478 -1.658 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.743 13.609 -3.968 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.512 13.728 -4.127 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.729 12.131 -4.078 1.00 10.00 H new ATOM 49 N ASN A 19 1.129 12.466 0.988 1.00 10.00 N ATOM 50 CA ASN A 19 0.065 11.777 1.705 1.00 10.00 C ATOM 51 C ASN A 19 -1.078 11.432 0.767 1.00 10.00 C ATOM 52 O ASN A 19 -1.804 12.312 0.313 1.00 10.00 O ATOM 53 CB ASN A 19 -0.450 12.637 2.861 1.00 10.00 C ATOM 54 CG ASN A 19 0.648 13.036 3.826 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.945 12.316 4.780 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.255 14.188 3.588 1.00 10.00 N ATOM 0 H ASN A 19 0.970 13.464 0.850 1.00 10.00 H new ATOM 0 HA ASN A 19 0.476 10.852 2.111 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.919 13.535 2.459 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -1.221 12.088 3.401 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.000 14.509 4.207 1.00 10.00 H new ATOM 0 HD22 ASN A 19 0.978 14.754 2.786 1.00 10.00 H new ATOM 63 N LEU A 20 -1.226 10.155 0.469 1.00 10.00 N ATOM 64 CA LEU A 20 -2.289 9.698 -0.412 1.00 10.00 C ATOM 65 C LEU A 20 -3.430 9.102 0.406 1.00 10.00 C ATOM 66 O LEU A 20 -3.202 8.312 1.321 1.00 10.00 O ATOM 67 CB LEU A 20 -1.744 8.675 -1.407 1.00 10.00 C ATOM 68 CG LEU A 20 -0.579 9.174 -2.267 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.012 8.043 -3.108 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.024 10.330 -3.151 1.00 10.00 C ATOM 0 H LEU A 20 -0.623 9.413 0.824 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.676 10.549 -0.972 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.419 7.792 -0.857 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.555 8.361 -2.065 1.00 10.00 H new ATOM 0 HG LEU A 20 0.208 9.534 -1.604 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.815 8.418 -3.712 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.347 7.248 -2.454 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.790 7.650 -3.762 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.183 10.671 -3.755 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.830 9.998 -3.806 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.379 11.150 -2.527 1.00 10.00 H new ATOM 82 N LYS A 21 -4.653 9.491 0.080 1.00 10.00 N ATOM 83 CA LYS A 21 -5.826 9.011 0.797 1.00 10.00 C ATOM 84 C LYS A 21 -6.507 7.874 0.049 1.00 10.00 C ATOM 85 O LYS A 21 -7.006 8.054 -1.063 1.00 10.00 O ATOM 86 CB LYS A 21 -6.829 10.150 1.006 1.00 10.00 C ATOM 87 CG LYS A 21 -6.327 11.268 1.904 1.00 10.00 C ATOM 88 CD LYS A 21 -7.319 12.418 1.951 1.00 10.00 C ATOM 89 CE LYS A 21 -6.824 13.552 2.833 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.643 14.781 2.664 1.00 10.00 N ATOM 0 H LYS A 21 -4.860 10.140 -0.679 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.488 8.639 1.764 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.092 10.570 0.035 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.744 9.739 1.434 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -6.162 10.884 2.911 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.365 11.628 1.539 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.492 12.791 0.941 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -8.277 12.057 2.326 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.850 13.239 3.877 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.784 13.772 2.592 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -7.131 15.596 3.058 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -7.823 14.942 1.652 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.548 14.666 3.163 1.00 10.00 H new ATOM 104 N VAL A 22 -6.508 6.702 0.653 1.00 10.00 N ATOM 105 CA VAL A 22 -7.155 5.540 0.067 1.00 10.00 C ATOM 106 C VAL A 22 -8.521 5.357 0.712 1.00 10.00 C ATOM 107 O VAL A 22 -8.617 5.055 1.901 1.00 10.00 O ATOM 108 CB VAL A 22 -6.303 4.266 0.249 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.068 3.024 -0.182 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.000 4.386 -0.522 1.00 10.00 C ATOM 0 H VAL A 22 -6.066 6.527 1.555 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.268 5.706 -1.004 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.073 4.163 1.310 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.441 2.144 -0.042 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -7.971 2.926 0.420 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.341 3.111 -1.234 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.410 3.480 -0.383 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.215 4.520 -1.582 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.438 5.244 -0.155 1.00 10.00 H new ATOM 120 N ALA A 23 -9.574 5.556 -0.064 1.00 10.00 N ATOM 121 CA ALA A 23 -10.925 5.439 0.460 1.00 10.00 C ATOM 122 C ALA A 23 -11.597 4.149 0.013 1.00 10.00 C ATOM 123 O ALA A 23 -11.746 3.894 -1.184 1.00 10.00 O ATOM 124 CB ALA A 23 -11.755 6.640 0.036 1.00 10.00 C ATOM 0 H ALA A 23 -9.520 5.798 -1.053 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.857 5.412 1.548 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.765 6.543 0.434 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.299 7.552 0.422 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.796 6.688 -1.052 1.00 10.00 H new ATOM 130 N GLY A 24 -12.005 3.341 0.984 1.00 10.00 N ATOM 131 CA GLY A 24 -12.677 2.094 0.680 1.00 10.00 C ATOM 132 C GLY A 24 -14.178 2.282 0.569 1.00 10.00 C ATOM 133 O GLY A 24 -14.703 3.337 0.932 1.00 10.00 O ATOM 0 H GLY A 24 -11.882 3.529 1.979 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.290 1.690 -0.256 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.458 1.363 1.458 1.00 10.00 H new ATOM 137 N GLN A 25 -14.872 1.258 0.093 1.00 10.00 N ATOM 138 CA GLN A 25 -16.321 1.321 -0.074 1.00 10.00 C ATOM 139 C GLN A 25 -17.033 1.084 1.255 1.00 10.00 C ATOM 140 O GLN A 25 -18.254 1.195 1.348 1.00 10.00 O ATOM 141 CB GLN A 25 -16.780 0.286 -1.103 1.00 10.00 C ATOM 142 CG GLN A 25 -16.153 0.468 -2.477 1.00 10.00 C ATOM 143 CD GLN A 25 -16.546 1.777 -3.134 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.645 2.288 -2.920 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.659 2.322 -3.945 1.00 10.00 N ATOM 0 H GLN A 25 -14.455 0.370 -0.186 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.579 2.318 -0.430 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.540 -0.711 -0.734 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.865 0.338 -1.199 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.068 0.425 -2.385 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.452 -0.360 -3.120 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.759 1.867 -4.096 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.874 3.198 -4.421 1.00 10.00 H new ATOM 154 N ASP A 26 -16.261 0.760 2.280 1.00 10.00 N ATOM 155 CA ASP A 26 -16.810 0.501 3.608 1.00 10.00 C ATOM 156 C ASP A 26 -16.736 1.753 4.479 1.00 10.00 C ATOM 157 O ASP A 26 -17.370 1.829 5.533 1.00 10.00 O ATOM 158 CB ASP A 26 -16.056 -0.650 4.277 1.00 10.00 C ATOM 159 CG ASP A 26 -14.640 -0.276 4.664 1.00 10.00 C ATOM 160 OD1 ASP A 26 -13.977 0.457 3.899 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.178 -0.718 5.730 1.00 10.00 O ATOM 0 H ASP A 26 -15.247 0.669 2.220 1.00 10.00 H new ATOM 0 HA ASP A 26 -17.857 0.221 3.496 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.600 -0.966 5.167 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.030 -1.504 3.600 1.00 10.00 H new ATOM 166 N GLY A 27 -15.950 2.728 4.042 1.00 10.00 N ATOM 167 CA GLY A 27 -15.823 3.966 4.786 1.00 10.00 C ATOM 168 C GLY A 27 -14.473 4.131 5.459 1.00 10.00 C ATOM 169 O GLY A 27 -14.189 5.187 6.022 1.00 10.00 O ATOM 0 H GLY A 27 -15.398 2.684 3.185 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.989 4.805 4.111 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.605 4.007 5.544 1.00 10.00 H new ATOM 173 N SER A 28 -13.636 3.101 5.414 1.00 10.00 N ATOM 174 CA SER A 28 -12.322 3.184 6.035 1.00 10.00 C ATOM 175 C SER A 28 -11.351 3.918 5.112 1.00 10.00 C ATOM 176 O SER A 28 -11.332 3.684 3.897 1.00 10.00 O ATOM 177 CB SER A 28 -11.790 1.788 6.380 1.00 10.00 C ATOM 178 OG SER A 28 -11.763 0.938 5.246 1.00 10.00 O ATOM 0 H SER A 28 -13.841 2.211 4.960 1.00 10.00 H new ATOM 0 HA SER A 28 -12.414 3.746 6.965 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.785 1.874 6.793 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.415 1.342 7.153 1.00 10.00 H new ATOM 0 HG SER A 28 -12.551 1.109 4.690 1.00 10.00 H new ATOM 184 N VAL A 29 -10.570 4.822 5.680 1.00 10.00 N ATOM 185 CA VAL A 29 -9.610 5.587 4.900 1.00 10.00 C ATOM 186 C VAL A 29 -8.183 5.258 5.337 1.00 10.00 C ATOM 187 O VAL A 29 -7.892 5.148 6.532 1.00 10.00 O ATOM 188 CB VAL A 29 -9.873 7.112 5.009 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.776 7.592 6.451 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.916 7.892 4.115 1.00 10.00 C ATOM 0 H VAL A 29 -10.581 5.044 6.675 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.732 5.304 3.855 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.891 7.297 4.666 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.966 8.665 6.491 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.515 7.070 7.059 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.778 7.385 6.837 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.119 8.959 4.208 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.889 7.690 4.419 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -9.055 7.585 3.078 1.00 10.00 H new ATOM 200 N VAL A 30 -7.306 5.070 4.364 1.00 10.00 N ATOM 201 CA VAL A 30 -5.917 4.753 4.644 1.00 10.00 C ATOM 202 C VAL A 30 -4.990 5.868 4.160 1.00 10.00 C ATOM 203 O VAL A 30 -5.065 6.300 3.007 1.00 10.00 O ATOM 204 CB VAL A 30 -5.506 3.403 4.005 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.005 3.184 4.096 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.245 2.254 4.674 1.00 10.00 C ATOM 0 H VAL A 30 -7.533 5.132 3.372 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.817 4.664 5.726 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.780 3.435 2.950 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -3.748 2.228 3.639 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.488 3.987 3.572 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -3.701 3.179 5.143 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -5.946 1.312 4.214 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.000 2.233 5.736 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.319 2.392 4.552 1.00 10.00 H new ATOM 216 N GLN A 31 -4.135 6.338 5.059 1.00 10.00 N ATOM 217 CA GLN A 31 -3.176 7.388 4.746 1.00 10.00 C ATOM 218 C GLN A 31 -1.871 6.760 4.275 1.00 10.00 C ATOM 219 O GLN A 31 -1.102 6.222 5.077 1.00 10.00 O ATOM 220 CB GLN A 31 -2.914 8.269 5.971 1.00 10.00 C ATOM 221 CG GLN A 31 -2.065 9.496 5.672 1.00 10.00 C ATOM 222 CD GLN A 31 -1.506 10.142 6.927 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.112 10.082 7.998 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.349 10.774 6.802 1.00 10.00 N ATOM 0 H GLN A 31 -4.087 6.004 6.021 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.590 8.014 3.955 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.869 8.591 6.387 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.418 7.673 6.737 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.241 9.212 5.017 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.667 10.226 5.130 1.00 10.00 H new ATOM 0 HE21 GLN A 31 0.122 10.801 5.898 1.00 10.00 H new ATOM 0 HE22 GLN A 31 0.071 11.233 7.610 1.00 10.00 H new ATOM 233 N PHE A 32 -1.638 6.811 2.979 1.00 10.00 N ATOM 234 CA PHE A 32 -0.439 6.241 2.397 1.00 10.00 C ATOM 235 C PHE A 32 0.687 7.262 2.361 1.00 10.00 C ATOM 236 O PHE A 32 0.586 8.292 1.693 1.00 10.00 O ATOM 237 CB PHE A 32 -0.724 5.728 0.987 1.00 10.00 C ATOM 238 CG PHE A 32 -0.785 4.233 0.897 1.00 10.00 C ATOM 239 CD1 PHE A 32 -1.998 3.571 0.987 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.370 3.490 0.713 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.060 2.196 0.896 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.316 2.115 0.623 1.00 10.00 C ATOM 243 CZ PHE A 32 -0.901 1.466 0.712 1.00 10.00 C ATOM 0 H PHE A 32 -2.268 7.245 2.304 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.126 5.405 3.022 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.670 6.144 0.642 1.00 10.00 H new ATOM 0 HB3 PHE A 32 0.050 6.094 0.312 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.906 4.138 1.130 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.323 3.993 0.639 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.012 1.691 0.968 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.223 1.546 0.483 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.946 0.389 0.638 1.00 10.00 H new ATOM 253 N LYS A 33 1.747 6.975 3.094 1.00 10.00 N ATOM 254 CA LYS A 33 2.909 7.842 3.140 1.00 10.00 C ATOM 255 C LYS A 33 3.998 7.265 2.244 1.00 10.00 C ATOM 256 O LYS A 33 4.687 6.312 2.615 1.00 10.00 O ATOM 257 CB LYS A 33 3.407 7.987 4.581 1.00 10.00 C ATOM 258 CG LYS A 33 4.705 8.766 4.706 1.00 10.00 C ATOM 259 CD LYS A 33 5.224 8.756 6.133 1.00 10.00 C ATOM 260 CE LYS A 33 6.687 9.155 6.187 1.00 10.00 C ATOM 261 NZ LYS A 33 7.284 8.902 7.522 1.00 10.00 N ATOM 0 H LYS A 33 1.826 6.138 3.672 1.00 10.00 H new ATOM 0 HA LYS A 33 2.640 8.835 2.778 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.638 8.483 5.173 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.547 6.994 5.009 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.455 8.335 4.042 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.546 9.795 4.383 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.635 9.441 6.742 1.00 10.00 H new ATOM 0 HD3 LYS A 33 5.099 7.761 6.561 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.242 8.600 5.431 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.784 10.213 5.941 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.284 9.189 7.515 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.771 9.451 8.241 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.216 7.889 7.746 1.00 10.00 H new ATOM 275 N ILE A 34 4.119 7.819 1.046 1.00 10.00 N ATOM 276 CA ILE A 34 5.102 7.344 0.077 1.00 10.00 C ATOM 277 C ILE A 34 5.787 8.540 -0.597 1.00 10.00 C ATOM 278 O ILE A 34 5.378 9.682 -0.395 1.00 10.00 O ATOM 279 CB ILE A 34 4.438 6.408 -0.986 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.231 7.113 -2.330 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.097 5.879 -0.482 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.548 6.252 -3.373 1.00 10.00 C ATOM 0 H ILE A 34 3.549 8.599 0.719 1.00 10.00 H new ATOM 0 HA ILE A 34 5.855 6.758 0.603 1.00 10.00 H new ATOM 0 HB ILE A 34 5.126 5.576 -1.140 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.637 8.013 -2.170 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.199 7.434 -2.714 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.654 5.231 -1.238 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.251 5.313 0.436 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.427 6.716 -0.284 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.436 6.819 -4.297 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.151 5.364 -3.563 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.565 5.952 -3.010 1.00 10.00 H new ATOM 294 N LYS A 35 6.844 8.292 -1.360 1.00 10.00 N ATOM 295 CA LYS A 35 7.545 9.368 -2.056 1.00 10.00 C ATOM 296 C LYS A 35 7.103 9.419 -3.519 1.00 10.00 C ATOM 297 O LYS A 35 6.572 8.442 -4.042 1.00 10.00 O ATOM 298 CB LYS A 35 9.062 9.183 -1.958 1.00 10.00 C ATOM 299 CG LYS A 35 9.604 9.357 -0.546 1.00 10.00 C ATOM 300 CD LYS A 35 11.115 9.194 -0.498 1.00 10.00 C ATOM 301 CE LYS A 35 11.577 8.637 0.841 1.00 10.00 C ATOM 302 NZ LYS A 35 11.534 7.152 0.861 1.00 10.00 N ATOM 0 H LYS A 35 7.234 7.362 -1.513 1.00 10.00 H new ATOM 0 HA LYS A 35 7.291 10.314 -1.578 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.323 8.188 -2.319 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.551 9.900 -2.618 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.333 10.344 -0.171 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.138 8.626 0.115 1.00 10.00 H new ATOM 0 HD2 LYS A 35 11.435 8.528 -1.299 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.591 10.158 -0.675 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.593 8.975 1.045 1.00 10.00 H new ATOM 0 HE3 LYS A 35 10.945 9.030 1.637 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.334 6.789 1.417 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 10.641 6.836 1.291 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 11.596 6.790 -0.112 1.00 10.00 H new ATOM 316 N ARG A 36 7.332 10.547 -4.179 1.00 10.00 N ATOM 317 CA ARG A 36 6.925 10.711 -5.577 1.00 10.00 C ATOM 318 C ARG A 36 7.651 9.741 -6.507 1.00 10.00 C ATOM 319 O ARG A 36 7.139 9.405 -7.574 1.00 10.00 O ATOM 320 CB ARG A 36 7.149 12.150 -6.040 1.00 10.00 C ATOM 321 CG ARG A 36 6.168 13.140 -5.429 1.00 10.00 C ATOM 322 CD ARG A 36 6.287 14.520 -6.059 1.00 10.00 C ATOM 323 NE ARG A 36 5.532 14.630 -7.312 1.00 10.00 N ATOM 324 CZ ARG A 36 4.232 14.933 -7.378 1.00 10.00 C ATOM 325 NH1 ARG A 36 3.535 15.146 -6.266 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.625 15.038 -8.557 1.00 10.00 N ATOM 0 H ARG A 36 7.795 11.361 -3.775 1.00 10.00 H new ATOM 0 HA ARG A 36 5.861 10.481 -5.627 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.165 12.452 -5.785 1.00 10.00 H new ATOM 0 HB3 ARG A 36 7.067 12.192 -7.126 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.151 12.769 -5.557 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.348 13.214 -4.356 1.00 10.00 H new ATOM 0 HD2 ARG A 36 5.928 15.270 -5.355 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.337 14.740 -6.250 1.00 10.00 H new ATOM 0 HE ARG A 36 6.030 14.465 -8.187 1.00 10.00 H new ATOM 0 HH11 ARG A 36 3.992 15.078 -5.357 1.00 10.00 H new ATOM 0 HH12 ARG A 36 2.543 15.377 -6.322 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.152 14.887 -9.417 1.00 10.00 H new ATOM 0 HH22 ARG A 36 2.633 15.269 -8.601 1.00 10.00 H new ATOM 340 N HIS A 37 8.831 9.287 -6.101 1.00 10.00 N ATOM 341 CA HIS A 37 9.606 8.352 -6.913 1.00 10.00 C ATOM 342 C HIS A 37 9.274 6.904 -6.547 1.00 10.00 C ATOM 343 O HIS A 37 9.867 5.962 -7.075 1.00 10.00 O ATOM 344 CB HIS A 37 11.115 8.613 -6.756 1.00 10.00 C ATOM 345 CG HIS A 37 11.694 8.205 -5.430 1.00 10.00 C ATOM 346 ND1 HIS A 37 12.046 6.899 -5.169 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.995 8.963 -4.348 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.551 6.892 -3.949 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.541 8.119 -3.415 1.00 10.00 N ATOM 0 H HIS A 37 9.272 9.549 -5.219 1.00 10.00 H new ATOM 0 HA HIS A 37 9.335 8.511 -7.957 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.645 8.081 -7.546 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.302 9.676 -6.906 1.00 10.00 H new ATOM 0 HD1 HIS A 37 11.938 6.099 -5.792 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.836 10.026 -4.241 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.924 6.011 -3.448 1.00 10.00 H new ATOM 357 N THR A 38 8.319 6.737 -5.646 1.00 10.00 N ATOM 358 CA THR A 38 7.913 5.418 -5.196 1.00 10.00 C ATOM 359 C THR A 38 6.729 4.902 -6.014 1.00 10.00 C ATOM 360 O THR A 38 5.663 5.513 -6.025 1.00 10.00 O ATOM 361 CB THR A 38 7.546 5.459 -3.704 1.00 10.00 C ATOM 362 OG1 THR A 38 8.594 6.109 -2.976 1.00 10.00 O ATOM 363 CG2 THR A 38 7.336 4.061 -3.147 1.00 10.00 C ATOM 0 H THR A 38 7.808 7.505 -5.210 1.00 10.00 H new ATOM 0 HA THR A 38 8.751 4.735 -5.339 1.00 10.00 H new ATOM 0 HB THR A 38 6.613 6.012 -3.597 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.533 5.867 -2.028 1.00 10.00 H new ATOM 0 HG21 THR A 38 7.078 4.125 -2.090 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.527 3.571 -3.689 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.252 3.482 -3.262 1.00 10.00 H new ATOM 371 N PRO A 39 6.919 3.780 -6.731 1.00 10.00 N ATOM 372 CA PRO A 39 5.873 3.174 -7.566 1.00 10.00 C ATOM 373 C PRO A 39 4.591 2.881 -6.795 1.00 10.00 C ATOM 374 O PRO A 39 4.626 2.434 -5.645 1.00 10.00 O ATOM 375 CB PRO A 39 6.512 1.870 -8.051 1.00 10.00 C ATOM 376 CG PRO A 39 7.975 2.111 -7.969 1.00 10.00 C ATOM 377 CD PRO A 39 8.178 3.017 -6.790 1.00 10.00 C ATOM 0 HA PRO A 39 5.567 3.844 -8.370 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.214 1.028 -7.427 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.206 1.635 -9.071 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.518 1.175 -7.840 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.347 2.572 -8.884 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.350 2.453 -5.873 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.039 3.671 -6.928 1.00 10.00 H new ATOM 385 N LEU A 40 3.456 3.117 -7.446 1.00 10.00 N ATOM 386 CA LEU A 40 2.154 2.887 -6.832 1.00 10.00 C ATOM 387 C LEU A 40 1.844 1.396 -6.771 1.00 10.00 C ATOM 388 O LEU A 40 0.837 0.980 -6.197 1.00 10.00 O ATOM 389 CB LEU A 40 1.067 3.624 -7.616 1.00 10.00 C ATOM 390 CG LEU A 40 1.250 5.141 -7.708 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.358 5.723 -8.793 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.952 5.789 -6.365 1.00 10.00 C ATOM 0 H LEU A 40 3.413 3.469 -8.402 1.00 10.00 H new ATOM 0 HA LEU A 40 2.178 3.273 -5.813 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.029 3.216 -8.626 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.102 3.417 -7.152 1.00 10.00 H new ATOM 0 HG LEU A 40 2.287 5.350 -7.972 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.503 6.802 -8.843 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.616 5.278 -9.754 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.685 5.507 -8.561 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.086 6.868 -6.444 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.076 5.571 -6.076 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.632 5.393 -5.611 1.00 10.00 H new ATOM 404 N SER A 41 2.720 0.597 -7.363 1.00 10.00 N ATOM 405 CA SER A 41 2.565 -0.844 -7.371 1.00 10.00 C ATOM 406 C SER A 41 2.586 -1.392 -5.945 1.00 10.00 C ATOM 407 O SER A 41 1.792 -2.266 -5.591 1.00 10.00 O ATOM 408 CB SER A 41 3.685 -1.460 -8.202 1.00 10.00 C ATOM 409 OG SER A 41 4.354 -0.454 -8.951 1.00 10.00 O ATOM 0 H SER A 41 3.553 0.931 -7.848 1.00 10.00 H new ATOM 0 HA SER A 41 1.604 -1.104 -7.814 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.394 -1.969 -7.549 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.275 -2.213 -8.876 1.00 10.00 H new ATOM 0 HG SER A 41 4.209 -0.608 -9.908 1.00 10.00 H new ATOM 415 N LYS A 42 3.480 -0.848 -5.121 1.00 10.00 N ATOM 416 CA LYS A 42 3.589 -1.274 -3.731 1.00 10.00 C ATOM 417 C LYS A 42 2.334 -0.864 -2.978 1.00 10.00 C ATOM 418 O LYS A 42 1.869 -1.572 -2.095 1.00 10.00 O ATOM 419 CB LYS A 42 4.817 -0.663 -3.035 1.00 10.00 C ATOM 420 CG LYS A 42 5.916 -0.185 -3.971 1.00 10.00 C ATOM 421 CD LYS A 42 7.007 0.569 -3.217 1.00 10.00 C ATOM 422 CE LYS A 42 7.868 -0.362 -2.374 1.00 10.00 C ATOM 423 NZ LYS A 42 8.849 -1.125 -3.193 1.00 10.00 N ATOM 0 H LYS A 42 4.135 -0.115 -5.392 1.00 10.00 H new ATOM 0 HA LYS A 42 3.704 -2.358 -3.725 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.489 0.179 -2.425 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.237 -1.405 -2.355 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.353 -1.040 -4.486 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.487 0.463 -4.736 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.638 1.100 -3.929 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.549 1.321 -2.574 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.401 0.221 -1.623 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.225 -1.060 -1.838 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.445 -1.706 -2.569 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.341 -1.741 -3.859 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.448 -0.461 -3.724 1.00 10.00 H new ATOM 437 N LEU A 43 1.789 0.286 -3.362 1.00 10.00 N ATOM 438 CA LEU A 43 0.582 0.828 -2.749 1.00 10.00 C ATOM 439 C LEU A 43 -0.590 -0.133 -2.929 1.00 10.00 C ATOM 440 O LEU A 43 -1.353 -0.383 -1.997 1.00 10.00 O ATOM 441 CB LEU A 43 0.263 2.191 -3.377 1.00 10.00 C ATOM 442 CG LEU A 43 -0.829 3.006 -2.687 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.495 4.487 -2.743 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.184 2.750 -3.330 1.00 10.00 C ATOM 0 H LEU A 43 2.172 0.868 -4.107 1.00 10.00 H new ATOM 0 HA LEU A 43 0.749 0.955 -1.679 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.177 2.785 -3.393 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.031 2.031 -4.414 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.880 2.694 -1.644 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.281 5.056 -2.248 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.455 4.665 -2.238 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.418 4.804 -3.783 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.946 3.341 -2.822 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.147 3.033 -4.382 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.432 1.692 -3.248 1.00 10.00 H new ATOM 456 N MET A 44 -0.718 -0.672 -4.131 1.00 10.00 N ATOM 457 CA MET A 44 -1.792 -1.605 -4.436 1.00 10.00 C ATOM 458 C MET A 44 -1.580 -2.927 -3.708 1.00 10.00 C ATOM 459 O MET A 44 -2.508 -3.471 -3.112 1.00 10.00 O ATOM 460 CB MET A 44 -1.881 -1.844 -5.946 1.00 10.00 C ATOM 461 CG MET A 44 -2.223 -0.593 -6.743 1.00 10.00 C ATOM 462 SD MET A 44 -2.605 -0.944 -8.473 1.00 10.00 S ATOM 463 CE MET A 44 -1.029 -1.566 -9.060 1.00 10.00 C ATOM 0 H MET A 44 -0.091 -0.479 -4.912 1.00 10.00 H new ATOM 0 HA MET A 44 -2.730 -1.167 -4.094 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.929 -2.240 -6.299 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.636 -2.606 -6.141 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.076 -0.096 -6.281 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.385 0.103 -6.695 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.110 -1.825 -10.116 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.265 -0.799 -8.932 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.752 -2.453 -8.489 1.00 10.00 H new ATOM 473 N LYS A 45 -0.348 -3.427 -3.742 1.00 10.00 N ATOM 474 CA LYS A 45 -0.015 -4.697 -3.101 1.00 10.00 C ATOM 475 C LYS A 45 -0.138 -4.622 -1.580 1.00 10.00 C ATOM 476 O LYS A 45 -0.802 -5.459 -0.973 1.00 10.00 O ATOM 477 CB LYS A 45 1.400 -5.141 -3.485 1.00 10.00 C ATOM 478 CG LYS A 45 1.545 -5.526 -4.950 1.00 10.00 C ATOM 479 CD LYS A 45 2.792 -6.367 -5.195 1.00 10.00 C ATOM 480 CE LYS A 45 4.069 -5.557 -5.021 1.00 10.00 C ATOM 481 NZ LYS A 45 5.282 -6.351 -5.361 1.00 10.00 N ATOM 0 H LYS A 45 0.438 -2.972 -4.207 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.735 -5.433 -3.459 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.098 -4.334 -3.260 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.685 -5.991 -2.865 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.663 -6.082 -5.268 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.590 -4.624 -5.560 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.801 -7.211 -4.505 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.759 -6.779 -6.203 1.00 10.00 H new ATOM 0 HE2 LYS A 45 4.026 -4.671 -5.655 1.00 10.00 H new ATOM 0 HE3 LYS A 45 4.140 -5.209 -3.991 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 6.130 -5.763 -5.229 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.338 -7.183 -4.740 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.227 -6.662 -6.352 1.00 10.00 H new ATOM 495 N ALA A 46 0.481 -3.609 -0.976 1.00 10.00 N ATOM 496 CA ALA A 46 0.463 -3.441 0.479 1.00 10.00 C ATOM 497 C ALA A 46 -0.957 -3.391 1.033 1.00 10.00 C ATOM 498 O ALA A 46 -1.275 -4.072 2.009 1.00 10.00 O ATOM 499 CB ALA A 46 1.229 -2.186 0.879 1.00 10.00 C ATOM 0 H ALA A 46 1.004 -2.888 -1.473 1.00 10.00 H new ATOM 0 HA ALA A 46 0.953 -4.314 0.911 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.206 -2.076 1.963 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.263 -2.269 0.545 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.767 -1.314 0.416 1.00 10.00 H new ATOM 505 N TYR A 47 -1.810 -2.593 0.405 1.00 10.00 N ATOM 506 CA TYR A 47 -3.192 -2.464 0.845 1.00 10.00 C ATOM 507 C TYR A 47 -3.924 -3.800 0.718 1.00 10.00 C ATOM 508 O TYR A 47 -4.652 -4.204 1.625 1.00 10.00 O ATOM 509 CB TYR A 47 -3.901 -1.369 0.043 1.00 10.00 C ATOM 510 CG TYR A 47 -5.353 -1.161 0.419 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.373 -1.558 -0.437 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.704 -0.556 1.619 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.699 -1.357 -0.110 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.029 -0.355 1.956 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.022 -0.758 1.088 1.00 10.00 C ATOM 516 OH TYR A 47 -9.342 -0.554 1.417 1.00 10.00 O ATOM 0 H TYR A 47 -1.570 -2.027 -0.409 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.200 -2.178 1.897 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.365 -0.430 0.180 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.844 -1.617 -1.017 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.124 -2.032 -1.375 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.929 -0.237 2.300 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.479 -1.668 -0.789 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.285 0.115 2.894 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.397 -0.122 2.295 1.00 10.00 H new ATOM 526 N CYS A 48 -3.708 -4.494 -0.396 1.00 10.00 N ATOM 527 CA CYS A 48 -4.346 -5.786 -0.623 1.00 10.00 C ATOM 528 C CYS A 48 -3.883 -6.803 0.415 1.00 10.00 C ATOM 529 O CYS A 48 -4.671 -7.618 0.894 1.00 10.00 O ATOM 530 CB CYS A 48 -4.042 -6.303 -2.031 1.00 10.00 C ATOM 531 SG CYS A 48 -4.760 -5.302 -3.354 1.00 10.00 S ATOM 0 H CYS A 48 -3.098 -4.184 -1.153 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.423 -5.650 -0.527 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -2.961 -6.344 -2.166 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -4.413 -7.324 -2.120 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.007 -4.265 -3.571 1.00 10.00 H new ATOM 537 N GLU A 49 -2.604 -6.736 0.770 1.00 10.00 N ATOM 538 CA GLU A 49 -2.028 -7.642 1.755 1.00 10.00 C ATOM 539 C GLU A 49 -2.670 -7.437 3.117 1.00 10.00 C ATOM 540 O GLU A 49 -2.911 -8.396 3.850 1.00 10.00 O ATOM 541 CB GLU A 49 -0.517 -7.429 1.856 1.00 10.00 C ATOM 542 CG GLU A 49 0.249 -7.909 0.635 1.00 10.00 C ATOM 543 CD GLU A 49 -0.012 -9.363 0.321 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.426 -10.231 1.106 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.644 -9.649 -0.717 1.00 10.00 O ATOM 0 H GLU A 49 -1.944 -6.059 0.387 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.222 -8.664 1.429 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.318 -6.368 2.005 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.143 -7.951 2.737 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.028 -7.300 -0.226 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.317 -7.762 0.799 1.00 10.00 H new ATOM 552 N ARG A 50 -2.954 -6.183 3.448 1.00 10.00 N ATOM 553 CA ARG A 50 -3.579 -5.855 4.721 1.00 10.00 C ATOM 554 C ARG A 50 -5.021 -6.342 4.749 1.00 10.00 C ATOM 555 O ARG A 50 -5.527 -6.756 5.792 1.00 10.00 O ATOM 556 CB ARG A 50 -3.513 -4.351 4.986 1.00 10.00 C ATOM 557 CG ARG A 50 -2.117 -3.867 5.346 1.00 10.00 C ATOM 558 CD ARG A 50 -2.158 -2.615 6.203 1.00 10.00 C ATOM 559 NE ARG A 50 -0.850 -2.295 6.775 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.612 -1.237 7.548 1.00 10.00 C ATOM 561 NH1 ARG A 50 -1.591 -0.398 7.859 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.608 -1.030 8.027 1.00 10.00 N ATOM 0 H ARG A 50 -2.761 -5.378 2.852 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.029 -6.364 5.513 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.859 -3.817 4.101 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.198 -4.101 5.797 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.585 -4.655 5.879 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.556 -3.665 4.434 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.505 -1.775 5.601 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.881 -2.750 7.007 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.072 -2.921 6.569 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.534 -0.561 7.506 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -1.401 0.410 8.452 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.361 -1.680 7.803 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.793 -0.220 8.619 1.00 10.00 H new ATOM 576 N GLN A 51 -5.680 -6.301 3.596 1.00 10.00 N ATOM 577 CA GLN A 51 -7.060 -6.759 3.496 1.00 10.00 C ATOM 578 C GLN A 51 -7.100 -8.286 3.482 1.00 10.00 C ATOM 579 O GLN A 51 -8.030 -8.901 4.002 1.00 10.00 O ATOM 580 CB GLN A 51 -7.728 -6.199 2.238 1.00 10.00 C ATOM 581 CG GLN A 51 -7.681 -4.680 2.137 1.00 10.00 C ATOM 582 CD GLN A 51 -8.186 -3.981 3.385 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.411 -3.636 4.279 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.489 -3.768 3.455 1.00 10.00 N ATOM 0 H GLN A 51 -5.283 -5.957 2.722 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.611 -6.396 4.363 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.243 -6.627 1.360 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.769 -6.523 2.217 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.655 -4.367 1.943 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.278 -4.361 1.283 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.097 -4.069 2.693 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -9.887 -3.302 4.271 1.00 10.00 H new ATOM 593 N GLY A 52 -6.075 -8.884 2.888 1.00 10.00 N ATOM 594 CA GLY A 52 -5.986 -10.329 2.817 1.00 10.00 C ATOM 595 C GLY A 52 -6.440 -10.878 1.479 1.00 10.00 C ATOM 596 O GLY A 52 -6.616 -12.086 1.325 1.00 10.00 O ATOM 0 H GLY A 52 -5.298 -8.389 2.451 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.956 -10.635 3.000 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.594 -10.766 3.609 1.00 10.00 H new ATOM 600 N LEU A 53 -6.612 -10.001 0.503 1.00 10.00 N ATOM 601 CA LEU A 53 -7.059 -10.418 -0.819 1.00 10.00 C ATOM 602 C LEU A 53 -5.976 -10.175 -1.860 1.00 10.00 C ATOM 603 O LEU A 53 -5.035 -9.412 -1.630 1.00 10.00 O ATOM 604 CB LEU A 53 -8.337 -9.674 -1.214 1.00 10.00 C ATOM 605 CG LEU A 53 -9.529 -9.868 -0.272 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.708 -9.020 -0.721 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.926 -11.338 -0.201 1.00 10.00 C ATOM 0 H LEU A 53 -6.450 -8.999 0.599 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.270 -11.487 -0.779 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -8.113 -8.609 -1.274 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.630 -9.995 -2.214 1.00 10.00 H new ATOM 0 HG LEU A 53 -9.231 -9.545 0.726 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.545 -9.171 -0.040 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -10.422 -7.968 -0.717 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -11.003 -9.312 -1.729 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.774 -11.454 0.473 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.202 -11.689 -1.195 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.085 -11.924 0.170 1.00 10.00 H new ATOM 619 N SER A 54 -6.113 -10.832 -3.002 1.00 10.00 N ATOM 620 CA SER A 54 -5.157 -10.691 -4.090 1.00 10.00 C ATOM 621 C SER A 54 -5.389 -9.381 -4.838 1.00 10.00 C ATOM 622 O SER A 54 -6.500 -8.844 -4.838 1.00 10.00 O ATOM 623 CB SER A 54 -5.279 -11.879 -5.053 1.00 10.00 C ATOM 624 OG SER A 54 -4.405 -11.738 -6.162 1.00 10.00 O ATOM 0 H SER A 54 -6.882 -11.472 -3.200 1.00 10.00 H new ATOM 0 HA SER A 54 -4.151 -10.676 -3.671 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.051 -12.804 -4.523 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.307 -11.959 -5.406 1.00 10.00 H new ATOM 0 HG SER A 54 -4.504 -12.511 -6.757 1.00 10.00 H new ATOM 630 N MET A 55 -4.342 -8.885 -5.495 1.00 10.00 N ATOM 631 CA MET A 55 -4.422 -7.638 -6.250 1.00 10.00 C ATOM 632 C MET A 55 -5.266 -7.818 -7.511 1.00 10.00 C ATOM 633 O MET A 55 -5.601 -6.849 -8.191 1.00 10.00 O ATOM 634 CB MET A 55 -3.019 -7.147 -6.619 1.00 10.00 C ATOM 635 CG MET A 55 -2.944 -5.649 -6.884 1.00 10.00 C ATOM 636 SD MET A 55 -1.289 -5.107 -7.356 1.00 10.00 S ATOM 637 CE MET A 55 -1.184 -5.758 -9.023 1.00 10.00 C ATOM 0 H MET A 55 -3.425 -9.331 -5.519 1.00 10.00 H new ATOM 0 HA MET A 55 -4.903 -6.890 -5.619 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.332 -7.399 -5.811 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.678 -7.681 -7.506 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.647 -5.389 -7.676 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.257 -5.110 -5.990 1.00 10.00 H new ATOM 0 HE1 MET A 55 -0.361 -6.470 -9.085 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.117 -6.260 -9.277 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.010 -4.940 -9.723 1.00 10.00 H new ATOM 647 N ARG A 56 -5.600 -9.066 -7.822 1.00 10.00 N ATOM 648 CA ARG A 56 -6.421 -9.366 -8.987 1.00 10.00 C ATOM 649 C ARG A 56 -7.901 -9.351 -8.603 1.00 10.00 C ATOM 650 O ARG A 56 -8.784 -9.437 -9.458 1.00 10.00 O ATOM 651 CB ARG A 56 -6.033 -10.726 -9.583 1.00 10.00 C ATOM 652 CG ARG A 56 -6.694 -11.011 -10.925 1.00 10.00 C ATOM 653 CD ARG A 56 -6.032 -12.168 -11.657 1.00 10.00 C ATOM 654 NE ARG A 56 -6.617 -12.379 -12.981 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.917 -12.685 -14.071 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.597 -12.827 -14.003 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.538 -12.841 -15.236 1.00 10.00 N ATOM 0 H ARG A 56 -5.315 -9.884 -7.284 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.248 -8.601 -9.744 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.950 -10.765 -9.704 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.304 -11.513 -8.879 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.748 -11.238 -10.768 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.650 -10.117 -11.547 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.965 -11.971 -11.758 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.133 -13.078 -11.066 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.628 -12.285 -13.075 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.116 -12.701 -13.112 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -4.065 -13.062 -14.841 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -7.550 -12.726 -15.294 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.003 -13.075 -16.072 1.00 10.00 H new ATOM 671 N GLN A 57 -8.165 -9.232 -7.309 1.00 10.00 N ATOM 672 CA GLN A 57 -9.531 -9.203 -6.810 1.00 10.00 C ATOM 673 C GLN A 57 -9.964 -7.771 -6.517 1.00 10.00 C ATOM 674 O GLN A 57 -11.124 -7.407 -6.709 1.00 10.00 O ATOM 675 CB GLN A 57 -9.654 -10.062 -5.551 1.00 10.00 C ATOM 676 CG GLN A 57 -11.086 -10.448 -5.230 1.00 10.00 C ATOM 677 CD GLN A 57 -11.190 -11.360 -4.028 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.268 -12.114 -3.717 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.320 -11.305 -3.349 1.00 10.00 N ATOM 0 H GLN A 57 -7.450 -9.154 -6.586 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.187 -9.612 -7.578 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.060 -10.967 -5.677 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.232 -9.519 -4.705 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.669 -9.545 -5.047 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.527 -10.943 -6.095 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.060 -10.666 -3.640 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.454 -11.902 -2.533 1.00 10.00 H new ATOM 688 N ILE A 58 -9.025 -6.958 -6.058 1.00 10.00 N ATOM 689 CA ILE A 58 -9.314 -5.565 -5.748 1.00 10.00 C ATOM 690 C ILE A 58 -8.853 -4.667 -6.891 1.00 10.00 C ATOM 691 O ILE A 58 -7.718 -4.765 -7.352 1.00 10.00 O ATOM 692 CB ILE A 58 -8.641 -5.123 -4.429 1.00 10.00 C ATOM 693 CG1 ILE A 58 -8.980 -6.106 -3.302 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.079 -3.715 -4.054 1.00 10.00 C ATOM 695 CD1 ILE A 58 -8.232 -5.838 -2.012 1.00 10.00 C ATOM 0 H ILE A 58 -8.058 -7.237 -5.892 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.393 -5.471 -5.623 1.00 10.00 H new ATOM 0 HB ILE A 58 -7.561 -5.121 -4.575 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -10.051 -6.064 -3.106 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -8.757 -7.119 -3.637 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -8.596 -3.420 -3.123 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -8.795 -3.022 -4.846 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -10.161 -3.693 -3.924 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -8.524 -6.573 -1.262 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.159 -5.910 -2.192 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -8.474 -4.838 -1.652 1.00 10.00 H new ATOM 707 N ARG A 59 -9.743 -3.803 -7.352 1.00 10.00 N ATOM 708 CA ARG A 59 -9.439 -2.896 -8.449 1.00 10.00 C ATOM 709 C ARG A 59 -9.236 -1.482 -7.924 1.00 10.00 C ATOM 710 O ARG A 59 -9.934 -1.045 -7.014 1.00 10.00 O ATOM 711 CB ARG A 59 -10.566 -2.924 -9.486 1.00 10.00 C ATOM 712 CG ARG A 59 -10.678 -4.248 -10.227 1.00 10.00 C ATOM 713 CD ARG A 59 -9.444 -4.518 -11.071 1.00 10.00 C ATOM 714 NE ARG A 59 -9.418 -5.884 -11.594 1.00 10.00 N ATOM 715 CZ ARG A 59 -8.297 -6.575 -11.803 1.00 10.00 C ATOM 716 NH1 ARG A 59 -7.118 -6.029 -11.530 1.00 10.00 N ATOM 717 NH2 ARG A 59 -8.353 -7.811 -12.283 1.00 10.00 N ATOM 0 H ARG A 59 -10.689 -3.710 -6.981 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.516 -3.223 -8.929 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.513 -2.715 -8.988 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.403 -2.125 -10.209 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.814 -5.057 -9.510 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.561 -4.236 -10.865 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -9.413 -3.813 -11.901 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.551 -4.344 -10.471 1.00 10.00 H new ATOM 0 HE ARG A 59 -10.308 -6.333 -11.811 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -7.069 -5.080 -11.160 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -6.261 -6.559 -11.690 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.256 -8.236 -12.494 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -7.493 -8.336 -12.441 1.00 10.00 H new ATOM 731 N PHE A 60 -8.275 -0.772 -8.491 1.00 10.00 N ATOM 732 CA PHE A 60 -7.987 0.585 -8.059 1.00 10.00 C ATOM 733 C PHE A 60 -8.087 1.561 -9.223 1.00 10.00 C ATOM 734 O PHE A 60 -7.563 1.305 -10.311 1.00 10.00 O ATOM 735 CB PHE A 60 -6.591 0.663 -7.435 1.00 10.00 C ATOM 736 CG PHE A 60 -6.388 -0.283 -6.285 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.740 -1.495 -6.472 1.00 10.00 C ATOM 738 CD2 PHE A 60 -6.846 0.038 -5.016 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.550 -2.366 -5.417 1.00 10.00 C ATOM 740 CE2 PHE A 60 -6.659 -0.830 -3.958 1.00 10.00 C ATOM 741 CZ PHE A 60 -6.012 -2.034 -4.158 1.00 10.00 C ATOM 0 H PHE A 60 -7.683 -1.111 -9.249 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.729 0.862 -7.310 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.847 0.451 -8.203 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -6.413 1.682 -7.091 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.380 -1.761 -7.455 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -7.354 0.977 -4.853 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.041 -3.305 -5.576 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -7.019 -0.567 -2.974 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.868 -2.714 -3.332 1.00 10.00 H new ATOM 751 N ARG A 61 -8.768 2.671 -8.995 1.00 10.00 N ATOM 752 CA ARG A 61 -8.927 3.694 -10.016 1.00 10.00 C ATOM 753 C ARG A 61 -8.562 5.056 -9.442 1.00 10.00 C ATOM 754 O ARG A 61 -8.859 5.348 -8.283 1.00 10.00 O ATOM 755 CB ARG A 61 -10.356 3.705 -10.570 1.00 10.00 C ATOM 756 CG ARG A 61 -10.650 2.544 -11.512 1.00 10.00 C ATOM 757 CD ARG A 61 -11.791 2.862 -12.465 1.00 10.00 C ATOM 758 NE ARG A 61 -13.083 2.405 -11.956 1.00 10.00 N ATOM 759 CZ ARG A 61 -14.215 3.102 -12.055 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.227 4.288 -12.657 1.00 10.00 N ATOM 761 NH2 ARG A 61 -15.344 2.596 -11.579 1.00 10.00 N ATOM 0 H ARG A 61 -9.222 2.888 -8.108 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.255 3.466 -10.843 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -11.060 3.675 -9.738 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.526 4.643 -11.098 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.754 2.306 -12.085 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.900 1.658 -10.929 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -11.830 3.938 -12.635 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -11.597 2.394 -13.430 1.00 10.00 H new ATOM 0 HE ARG A 61 -13.121 1.495 -11.496 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -13.366 4.671 -13.047 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.097 4.815 -12.729 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -15.345 1.676 -11.139 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -16.212 3.127 -11.653 1.00 10.00 H new ATOM 775 N PHE A 62 -7.911 5.876 -10.248 1.00 10.00 N ATOM 776 CA PHE A 62 -7.496 7.198 -9.814 1.00 10.00 C ATOM 777 C PHE A 62 -7.721 8.216 -10.921 1.00 10.00 C ATOM 778 O PHE A 62 -7.336 7.986 -12.070 1.00 10.00 O ATOM 779 CB PHE A 62 -6.019 7.188 -9.404 1.00 10.00 C ATOM 780 CG PHE A 62 -5.502 8.540 -9.007 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.861 9.102 -7.794 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.666 9.254 -9.852 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.397 10.350 -7.430 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.199 10.501 -9.491 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.565 11.050 -8.279 1.00 10.00 C ATOM 0 H PHE A 62 -7.658 5.649 -11.210 1.00 10.00 H new ATOM 0 HA PHE A 62 -8.098 7.480 -8.950 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.885 6.497 -8.572 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.422 6.808 -10.233 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.511 8.558 -7.125 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.378 8.830 -10.802 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.685 10.778 -6.481 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.547 11.047 -10.157 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.201 12.026 -7.996 1.00 10.00 H new ATOM 795 N ASP A 63 -8.369 9.327 -10.568 1.00 10.00 N ATOM 796 CA ASP A 63 -8.652 10.409 -11.512 1.00 10.00 C ATOM 797 C ASP A 63 -9.675 9.958 -12.559 1.00 10.00 C ATOM 798 O ASP A 63 -9.926 10.649 -13.547 1.00 10.00 O ATOM 799 CB ASP A 63 -7.349 10.887 -12.177 1.00 10.00 C ATOM 800 CG ASP A 63 -7.492 12.202 -12.915 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.188 13.107 -12.411 1.00 10.00 O ATOM 802 OD2 ASP A 63 -6.888 12.342 -13.999 1.00 10.00 O ATOM 0 H ASP A 63 -8.711 9.502 -9.623 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.084 11.248 -10.966 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.578 10.990 -11.414 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.006 10.124 -12.875 1.00 10.00 H new ATOM 807 N GLY A 64 -10.275 8.795 -12.321 1.00 10.00 N ATOM 808 CA GLY A 64 -11.263 8.262 -13.236 1.00 10.00 C ATOM 809 C GLY A 64 -10.763 7.047 -13.993 1.00 10.00 C ATOM 810 O GLY A 64 -11.540 6.158 -14.338 1.00 10.00 O ATOM 0 H GLY A 64 -10.091 8.211 -11.505 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.161 7.994 -12.679 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -11.549 9.037 -13.948 1.00 10.00 H new ATOM 814 N GLN A 65 -9.460 6.990 -14.228 1.00 10.00 N ATOM 815 CA GLN A 65 -8.866 5.882 -14.967 1.00 10.00 C ATOM 816 C GLN A 65 -8.172 4.896 -14.025 1.00 10.00 C ATOM 817 O GLN A 65 -7.770 5.262 -12.920 1.00 10.00 O ATOM 818 CB GLN A 65 -7.869 6.418 -15.998 1.00 10.00 C ATOM 819 CG GLN A 65 -8.488 7.388 -16.997 1.00 10.00 C ATOM 820 CD GLN A 65 -9.585 6.754 -17.834 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.538 5.564 -18.152 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.584 7.542 -18.199 1.00 10.00 N ATOM 0 H GLN A 65 -8.793 7.697 -13.918 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.665 5.349 -15.482 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.053 6.918 -15.476 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.434 5.579 -16.541 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.897 8.244 -16.460 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.708 7.769 -17.657 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.589 8.522 -17.917 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.348 7.169 -18.762 1.00 10.00 H new ATOM 831 N PRO A 66 -8.045 3.622 -14.438 1.00 10.00 N ATOM 832 CA PRO A 66 -7.387 2.589 -13.631 1.00 10.00 C ATOM 833 C PRO A 66 -5.879 2.813 -13.527 1.00 10.00 C ATOM 834 O PRO A 66 -5.272 3.457 -14.387 1.00 10.00 O ATOM 835 CB PRO A 66 -7.680 1.281 -14.384 1.00 10.00 C ATOM 836 CG PRO A 66 -8.723 1.620 -15.393 1.00 10.00 C ATOM 837 CD PRO A 66 -8.542 3.075 -15.707 1.00 10.00 C ATOM 0 HA PRO A 66 -7.754 2.589 -12.605 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.781 0.897 -14.865 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.032 0.507 -13.702 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.610 1.011 -16.290 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.722 1.427 -15.001 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.832 3.228 -16.519 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.479 3.543 -16.010 1.00 10.00 H new ATOM 845 N ILE A 67 -5.283 2.276 -12.476 1.00 10.00 N ATOM 846 CA ILE A 67 -3.854 2.423 -12.248 1.00 10.00 C ATOM 847 C ILE A 67 -3.088 1.230 -12.810 1.00 10.00 C ATOM 848 O ILE A 67 -3.529 0.084 -12.692 1.00 10.00 O ATOM 849 CB ILE A 67 -3.551 2.568 -10.740 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.472 3.618 -10.114 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.092 2.942 -10.513 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.505 3.575 -8.602 1.00 10.00 C ATOM 0 H ILE A 67 -5.769 1.731 -11.763 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.529 3.326 -12.764 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.735 1.607 -10.260 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.149 4.609 -10.433 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.483 3.475 -10.495 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -1.903 3.038 -9.444 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.449 2.165 -10.927 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -1.879 3.890 -11.006 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.178 4.347 -8.231 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.858 2.597 -8.273 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.503 3.749 -8.211 1.00 10.00 H new ATOM 864 N ASN A 68 -1.955 1.509 -13.437 1.00 10.00 N ATOM 865 CA ASN A 68 -1.115 0.466 -14.013 1.00 10.00 C ATOM 866 C ASN A 68 -0.101 -0.002 -12.975 1.00 10.00 C ATOM 867 O ASN A 68 0.016 0.599 -11.907 1.00 10.00 O ATOM 868 CB ASN A 68 -0.397 0.996 -15.256 1.00 10.00 C ATOM 869 CG ASN A 68 -0.164 -0.076 -16.301 1.00 10.00 C ATOM 870 OD1 ASN A 68 0.837 -0.790 -16.259 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.085 -0.195 -17.246 1.00 10.00 N ATOM 0 H ASN A 68 -1.593 2.455 -13.561 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.739 -0.378 -14.308 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.986 1.802 -15.694 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.561 1.424 -14.962 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -0.979 -0.900 -17.976 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.900 0.418 -17.244 1.00 10.00 H new ATOM 878 N GLU A 69 0.645 -1.053 -13.287 1.00 10.00 N ATOM 879 CA GLU A 69 1.635 -1.582 -12.352 1.00 10.00 C ATOM 880 C GLU A 69 2.950 -0.815 -12.445 1.00 10.00 C ATOM 881 O GLU A 69 3.854 -1.015 -11.632 1.00 10.00 O ATOM 882 CB GLU A 69 1.884 -3.067 -12.614 1.00 10.00 C ATOM 883 CG GLU A 69 0.684 -3.950 -12.318 1.00 10.00 C ATOM 884 CD GLU A 69 0.971 -5.415 -12.575 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.143 -6.173 -11.600 1.00 10.00 O ATOM 886 OE2 GLU A 69 1.045 -5.815 -13.760 1.00 10.00 O ATOM 0 H GLU A 69 0.586 -1.555 -14.173 1.00 10.00 H new ATOM 0 HA GLU A 69 1.234 -1.459 -11.346 1.00 10.00 H new ATOM 0 HB2 GLU A 69 2.173 -3.199 -13.657 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.726 -3.398 -12.006 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.386 -3.817 -11.278 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.158 -3.633 -12.934 1.00 10.00 H new ATOM 893 N THR A 70 3.050 0.059 -13.437 1.00 10.00 N ATOM 894 CA THR A 70 4.252 0.853 -13.643 1.00 10.00 C ATOM 895 C THR A 70 3.957 2.345 -13.505 1.00 10.00 C ATOM 896 O THR A 70 4.612 3.180 -14.129 1.00 10.00 O ATOM 897 CB THR A 70 4.849 0.577 -15.035 1.00 10.00 C ATOM 898 OG1 THR A 70 3.808 0.184 -15.942 1.00 10.00 O ATOM 899 CG2 THR A 70 5.904 -0.513 -14.963 1.00 10.00 C ATOM 0 H THR A 70 2.309 0.236 -14.115 1.00 10.00 H new ATOM 0 HA THR A 70 4.972 0.566 -12.877 1.00 10.00 H new ATOM 0 HB THR A 70 5.320 1.492 -15.395 1.00 10.00 H new ATOM 0 HG1 THR A 70 4.193 0.011 -16.827 1.00 10.00 H new ATOM 0 HG21 THR A 70 6.312 -0.691 -15.958 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.705 -0.200 -14.293 1.00 10.00 H new ATOM 0 HG23 THR A 70 5.453 -1.431 -14.586 1.00 10.00 H new ATOM 907 N ASP A 71 2.977 2.676 -12.679 1.00 10.00 N ATOM 908 CA ASP A 71 2.593 4.069 -12.477 1.00 10.00 C ATOM 909 C ASP A 71 3.196 4.634 -11.198 1.00 10.00 C ATOM 910 O ASP A 71 3.192 3.981 -10.153 1.00 10.00 O ATOM 911 CB ASP A 71 1.069 4.210 -12.424 1.00 10.00 C ATOM 912 CG ASP A 71 0.434 4.278 -13.798 1.00 10.00 C ATOM 913 OD1 ASP A 71 1.125 4.668 -14.765 1.00 10.00 O ATOM 914 OD2 ASP A 71 -0.762 3.941 -13.920 1.00 10.00 O ATOM 0 H ASP A 71 2.433 2.004 -12.138 1.00 10.00 H new ATOM 0 HA ASP A 71 2.980 4.635 -13.324 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.650 3.365 -11.877 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.812 5.110 -11.866 1.00 10.00 H new ATOM 919 N THR A 72 3.723 5.844 -11.294 1.00 10.00 N ATOM 920 CA THR A 72 4.314 6.527 -10.157 1.00 10.00 C ATOM 921 C THR A 72 3.549 7.820 -9.878 1.00 10.00 C ATOM 922 O THR A 72 2.880 8.346 -10.775 1.00 10.00 O ATOM 923 CB THR A 72 5.797 6.860 -10.421 1.00 10.00 C ATOM 924 OG1 THR A 72 5.995 7.129 -11.815 1.00 10.00 O ATOM 925 CG2 THR A 72 6.701 5.717 -9.987 1.00 10.00 C ATOM 0 H THR A 72 3.753 6.379 -12.162 1.00 10.00 H new ATOM 0 HA THR A 72 4.254 5.865 -9.293 1.00 10.00 H new ATOM 0 HB THR A 72 6.056 7.743 -9.837 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.938 7.341 -11.976 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.740 5.980 -10.185 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.570 5.534 -8.920 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.442 4.817 -10.544 1.00 10.00 H new ATOM 933 N PRO A 73 3.617 8.346 -8.641 1.00 10.00 N ATOM 934 CA PRO A 73 2.932 9.590 -8.277 1.00 10.00 C ATOM 935 C PRO A 73 3.410 10.763 -9.124 1.00 10.00 C ATOM 936 O PRO A 73 2.668 11.711 -9.366 1.00 10.00 O ATOM 937 CB PRO A 73 3.308 9.807 -6.809 1.00 10.00 C ATOM 938 CG PRO A 73 3.739 8.472 -6.317 1.00 10.00 C ATOM 939 CD PRO A 73 4.342 7.768 -7.497 1.00 10.00 C ATOM 0 HA PRO A 73 1.856 9.524 -8.439 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.109 10.540 -6.712 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.460 10.183 -6.237 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.464 8.570 -5.509 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.893 7.911 -5.919 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.415 7.948 -7.568 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.203 6.689 -7.436 1.00 10.00 H new ATOM 947 N ALA A 74 4.657 10.681 -9.575 1.00 10.00 N ATOM 948 CA ALA A 74 5.246 11.718 -10.408 1.00 10.00 C ATOM 949 C ALA A 74 4.826 11.539 -11.864 1.00 10.00 C ATOM 950 O ALA A 74 4.842 12.485 -12.650 1.00 10.00 O ATOM 951 CB ALA A 74 6.758 11.679 -10.290 1.00 10.00 C ATOM 0 H ALA A 74 5.282 9.900 -9.375 1.00 10.00 H new ATOM 0 HA ALA A 74 4.887 12.688 -10.064 1.00 10.00 H new ATOM 0 HB1 ALA A 74 7.192 12.458 -10.916 1.00 10.00 H new ATOM 0 HB2 ALA A 74 7.046 11.845 -9.252 1.00 10.00 H new ATOM 0 HB3 ALA A 74 7.123 10.705 -10.617 1.00 10.00 H new ATOM 957 N GLN A 75 4.446 10.316 -12.213 1.00 10.00 N ATOM 958 CA GLN A 75 4.018 10.008 -13.570 1.00 10.00 C ATOM 959 C GLN A 75 2.609 10.528 -13.805 1.00 10.00 C ATOM 960 O GLN A 75 2.334 11.177 -14.810 1.00 10.00 O ATOM 961 CB GLN A 75 4.072 8.496 -13.815 1.00 10.00 C ATOM 962 CG GLN A 75 3.531 8.067 -15.171 1.00 10.00 C ATOM 963 CD GLN A 75 4.288 8.688 -16.326 1.00 10.00 C ATOM 964 OE1 GLN A 75 5.479 8.977 -16.219 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.606 8.895 -17.442 1.00 10.00 N ATOM 0 H GLN A 75 4.426 9.521 -11.574 1.00 10.00 H new ATOM 0 HA GLN A 75 4.695 10.498 -14.270 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.105 8.161 -13.725 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.504 7.991 -13.033 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.582 6.981 -15.251 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.479 8.343 -15.241 1.00 10.00 H new ATOM 0 HE21 GLN A 75 2.619 8.642 -17.491 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.067 9.308 -18.253 1.00 10.00 H new ATOM 974 N LEU A 76 1.723 10.246 -12.860 1.00 10.00 N ATOM 975 CA LEU A 76 0.338 10.684 -12.962 1.00 10.00 C ATOM 976 C LEU A 76 0.177 12.085 -12.384 1.00 10.00 C ATOM 977 O LEU A 76 -0.909 12.661 -12.431 1.00 10.00 O ATOM 978 CB LEU A 76 -0.583 9.701 -12.234 1.00 10.00 C ATOM 979 CG LEU A 76 -0.438 8.237 -12.659 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.366 7.351 -11.844 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.720 8.077 -14.146 1.00 10.00 C ATOM 0 H LEU A 76 1.938 9.717 -12.015 1.00 10.00 H new ATOM 0 HA LEU A 76 0.060 10.711 -14.016 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.391 9.773 -11.163 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.616 10.009 -12.394 1.00 10.00 H new ATOM 0 HG LEU A 76 0.590 7.928 -12.470 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.249 6.314 -12.160 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.117 7.439 -10.786 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.398 7.664 -12.001 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.611 7.029 -14.426 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.736 8.407 -14.361 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.014 8.680 -14.717 1.00 10.00 H new ATOM 993 N GLU A 77 1.277 12.619 -11.854 1.00 10.00 N ATOM 994 CA GLU A 77 1.300 13.948 -11.249 1.00 10.00 C ATOM 995 C GLU A 77 0.216 14.080 -10.189 1.00 10.00 C ATOM 996 O GLU A 77 -0.703 14.888 -10.312 1.00 10.00 O ATOM 997 CB GLU A 77 1.159 15.035 -12.314 1.00 10.00 C ATOM 998 CG GLU A 77 2.470 15.358 -13.012 1.00 10.00 C ATOM 999 CD GLU A 77 3.520 15.892 -12.055 1.00 10.00 C ATOM 1000 OE1 GLU A 77 4.095 15.096 -11.281 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.777 17.112 -12.074 1.00 10.00 O ATOM 0 H GLU A 77 2.178 12.141 -11.833 1.00 10.00 H new ATOM 0 HA GLU A 77 2.266 14.080 -10.761 1.00 10.00 H new ATOM 0 HB2 GLU A 77 0.428 14.715 -13.057 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.768 15.941 -11.851 1.00 10.00 H new ATOM 0 HG2 GLU A 77 2.850 14.460 -13.499 1.00 10.00 H new ATOM 0 HG3 GLU A 77 2.289 16.094 -13.796 1.00 10.00 H new ATOM 1008 N MET A 78 0.342 13.272 -9.150 1.00 10.00 N ATOM 1009 CA MET A 78 -0.615 13.269 -8.057 1.00 10.00 C ATOM 1010 C MET A 78 -0.300 14.389 -7.078 1.00 10.00 C ATOM 1011 O MET A 78 0.852 14.814 -6.953 1.00 10.00 O ATOM 1012 CB MET A 78 -0.591 11.915 -7.344 1.00 10.00 C ATOM 1013 CG MET A 78 -0.794 10.735 -8.282 1.00 10.00 C ATOM 1014 SD MET A 78 -0.583 9.142 -7.467 1.00 10.00 S ATOM 1015 CE MET A 78 -2.050 9.096 -6.440 1.00 10.00 C ATOM 0 H MET A 78 1.105 12.604 -9.040 1.00 10.00 H new ATOM 0 HA MET A 78 -1.613 13.434 -8.462 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.363 11.801 -6.829 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.369 11.901 -6.581 1.00 10.00 H new ATOM 0 HG2 MET A 78 -1.795 10.787 -8.711 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.088 10.810 -9.109 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.899 8.392 -5.621 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.241 10.089 -6.034 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.904 8.778 -7.039 1.00 10.00 H new ATOM 1025 N GLU A 79 -1.320 14.860 -6.385 1.00 10.00 N ATOM 1026 CA GLU A 79 -1.156 15.931 -5.422 1.00 10.00 C ATOM 1027 C GLU A 79 -1.273 15.399 -4.004 1.00 10.00 C ATOM 1028 O GLU A 79 -1.704 14.265 -3.790 1.00 10.00 O ATOM 1029 CB GLU A 79 -2.211 17.011 -5.648 1.00 10.00 C ATOM 1030 CG GLU A 79 -2.152 17.646 -7.029 1.00 10.00 C ATOM 1031 CD GLU A 79 -0.947 18.541 -7.212 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -0.198 18.756 -6.235 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -0.748 19.052 -8.332 1.00 10.00 O ATOM 0 H GLU A 79 -2.276 14.515 -6.473 1.00 10.00 H new ATOM 0 HA GLU A 79 -0.164 16.361 -5.558 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.200 16.577 -5.500 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.088 17.789 -4.895 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -2.133 16.860 -7.784 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -3.059 18.227 -7.196 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.880 16.215 -3.040 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.967 15.829 -1.642 1.00 10.00 C ATOM 1042 C ASP A 80 -2.428 15.736 -1.237 1.00 10.00 C ATOM 1043 O ASP A 80 -3.250 16.550 -1.669 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.243 16.839 -0.749 1.00 10.00 C ATOM 1045 CG ASP A 80 0.704 16.178 0.237 1.00 10.00 C ATOM 1046 OD1 ASP A 80 1.909 16.515 0.221 1.00 10.00 O ATOM 1047 OD2 ASP A 80 0.254 15.331 1.040 1.00 10.00 O ATOM 0 H ASP A 80 -0.498 17.147 -3.200 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.486 14.859 -1.516 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.317 17.534 -1.374 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.980 17.426 -0.201 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.745 14.726 -0.436 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.103 14.491 0.046 1.00 10.00 C ATOM 1054 C GLU A 81 -5.022 14.000 -1.074 1.00 10.00 C ATOM 1055 O GLU A 81 -6.247 14.027 -0.934 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.686 15.749 0.705 1.00 10.00 C ATOM 1057 CG GLU A 81 -3.965 16.161 1.978 1.00 10.00 C ATOM 1058 CD GLU A 81 -4.809 17.066 2.849 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -4.410 18.230 3.073 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.873 16.615 3.315 1.00 10.00 O ATOM 0 H GLU A 81 -2.065 14.043 -0.100 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.043 13.706 0.800 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.647 16.573 -0.007 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.737 15.575 0.933 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.691 15.270 2.542 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.038 16.672 1.719 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.436 13.542 -2.178 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.221 13.031 -3.301 1.00 10.00 C ATOM 1069 C ASP A 82 -5.947 11.765 -2.872 1.00 10.00 C ATOM 1070 O ASP A 82 -5.444 11.009 -2.042 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.335 12.748 -4.517 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.795 13.496 -5.757 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -6.024 13.605 -5.980 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.931 13.972 -6.521 1.00 10.00 O ATOM 0 H ASP A 82 -3.426 13.514 -2.320 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.947 13.790 -3.592 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.307 13.029 -4.287 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.335 11.677 -4.721 1.00 10.00 H new ATOM 1079 N THR A 83 -7.120 11.527 -3.432 1.00 10.00 N ATOM 1080 CA THR A 83 -7.908 10.365 -3.054 1.00 10.00 C ATOM 1081 C THR A 83 -7.950 9.302 -4.149 1.00 10.00 C ATOM 1082 O THR A 83 -8.215 9.597 -5.316 1.00 10.00 O ATOM 1083 CB THR A 83 -9.339 10.789 -2.696 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.313 12.113 -2.137 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.960 9.824 -1.697 1.00 10.00 C ATOM 0 H THR A 83 -7.547 12.118 -4.146 1.00 10.00 H new ATOM 0 HA THR A 83 -7.420 9.922 -2.186 1.00 10.00 H new ATOM 0 HB THR A 83 -9.944 10.777 -3.602 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.225 12.389 -1.908 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.974 10.148 -1.460 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.990 8.823 -2.128 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.362 9.809 -0.786 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.685 8.064 -3.752 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.697 6.927 -4.662 1.00 10.00 C ATOM 1095 C ILE A 84 -8.969 6.112 -4.434 1.00 10.00 C ATOM 1096 O ILE A 84 -9.375 5.900 -3.287 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.457 6.029 -4.451 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.181 6.881 -4.452 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.380 4.951 -5.526 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.977 6.180 -3.856 1.00 10.00 C ATOM 0 H ILE A 84 -7.455 7.820 -2.789 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.672 7.302 -5.685 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.549 5.536 -3.483 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.950 7.171 -5.477 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.368 7.799 -3.895 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.499 4.331 -5.357 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.275 4.330 -5.483 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.311 5.420 -6.507 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.114 6.845 -3.892 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.187 5.914 -2.820 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.763 5.276 -4.427 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.595 5.662 -5.514 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.834 4.897 -5.416 1.00 10.00 C ATOM 1114 C ASP A 85 -10.563 3.399 -5.417 1.00 10.00 C ATOM 1115 O ASP A 85 -9.813 2.891 -6.256 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.770 5.253 -6.571 1.00 10.00 C ATOM 1117 CG ASP A 85 -13.151 5.661 -6.102 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.690 5.020 -5.175 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -13.708 6.626 -6.671 1.00 10.00 O ATOM 0 H ASP A 85 -9.266 5.813 -6.468 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.310 5.158 -4.471 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.333 6.067 -7.150 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -11.857 4.397 -7.240 1.00 10.00 H new ATOM 1124 N VAL A 86 -11.182 2.700 -4.475 1.00 10.00 N ATOM 1125 CA VAL A 86 -11.024 1.257 -4.350 1.00 10.00 C ATOM 1126 C VAL A 86 -12.307 0.545 -4.768 1.00 10.00 C ATOM 1127 O VAL A 86 -13.381 0.834 -4.241 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.676 0.855 -2.902 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -10.472 -0.649 -2.787 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -9.439 1.599 -2.422 1.00 10.00 C ATOM 0 H VAL A 86 -11.804 3.114 -3.780 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.205 0.959 -5.005 1.00 10.00 H new ATOM 0 HB VAL A 86 -11.516 1.132 -2.265 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -10.228 -0.905 -1.756 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -11.386 -1.164 -3.082 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.656 -0.956 -3.440 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -9.210 1.302 -1.399 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.595 1.357 -3.068 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.624 2.673 -2.455 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.194 -0.376 -5.712 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.348 -1.123 -6.193 1.00 10.00 C ATOM 1142 C PHE A 87 -13.089 -2.621 -6.113 1.00 10.00 C ATOM 1143 O PHE A 87 -11.952 -3.055 -5.940 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.677 -0.738 -7.638 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.246 0.645 -7.784 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.568 0.903 -7.455 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.461 1.686 -8.253 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -16.094 2.173 -7.589 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.982 2.956 -8.390 1.00 10.00 C ATOM 1150 CZ PHE A 87 -15.301 3.200 -8.058 1.00 10.00 C ATOM 0 H PHE A 87 -11.313 -0.625 -6.162 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.197 -0.874 -5.556 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.771 -0.813 -8.239 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.388 -1.458 -8.043 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.193 0.102 -7.090 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.430 1.501 -8.514 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -17.125 2.362 -7.327 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.360 3.759 -8.756 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.711 4.193 -8.166 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.145 -3.405 -6.237 1.00 10.00 N ATOM 1161 CA GLN A 88 -14.032 -4.854 -6.186 1.00 10.00 C ATOM 1162 C GLN A 88 -14.306 -5.452 -7.556 1.00 10.00 C ATOM 1163 O GLN A 88 -15.220 -5.013 -8.259 1.00 10.00 O ATOM 1164 CB GLN A 88 -15.018 -5.425 -5.162 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.394 -5.719 -3.808 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.981 -7.171 -3.658 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.630 -7.839 -4.631 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -14.031 -7.674 -2.433 1.00 10.00 N ATOM 0 H GLN A 88 -15.096 -3.062 -6.374 1.00 10.00 H new ATOM 0 HA GLN A 88 -13.017 -5.113 -5.884 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.838 -4.719 -5.028 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -15.450 -6.343 -5.560 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.522 -5.081 -3.668 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.105 -5.464 -3.022 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.327 -7.088 -1.653 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -13.773 -8.647 -2.270 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.514 -6.443 -7.939 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.691 -7.097 -9.227 1.00 10.00 C ATOM 1179 C GLN A 89 -15.011 -7.860 -9.246 1.00 10.00 C ATOM 1180 O GLN A 89 -15.463 -8.364 -8.215 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.516 -8.041 -9.518 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.634 -8.799 -10.834 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.633 -7.886 -12.042 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -11.971 -6.850 -12.058 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.373 -8.268 -13.069 1.00 10.00 N ATOM 0 H GLN A 89 -12.745 -6.811 -7.378 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.715 -6.336 -10.007 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.593 -7.461 -9.527 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.433 -8.761 -8.704 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.807 -9.504 -10.917 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.553 -9.385 -10.829 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -13.908 -9.135 -13.017 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.408 -7.696 -13.913 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.642 -7.909 -10.409 1.00 10.00 N ATOM 1195 CA GLN A 90 -16.906 -8.607 -10.566 1.00 10.00 C ATOM 1196 C GLN A 90 -16.707 -10.107 -10.397 1.00 10.00 C ATOM 1197 O GLN A 90 -15.687 -10.660 -10.818 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.513 -8.313 -11.942 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.177 -6.946 -12.049 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.189 -5.794 -11.979 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.025 -5.927 -12.365 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.643 -4.653 -11.486 1.00 10.00 N ATOM 0 H GLN A 90 -15.296 -7.470 -11.262 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.592 -8.252 -9.796 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -16.729 -8.384 -12.696 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.250 -9.082 -12.174 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -18.726 -6.889 -12.989 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.907 -6.840 -11.246 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.612 -4.581 -11.177 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.024 -3.846 -11.415 1.00 10.00 H new ATOM 1211 N THR A 91 -17.669 -10.756 -9.766 1.00 10.00 N ATOM 1212 CA THR A 91 -17.600 -12.189 -9.547 1.00 10.00 C ATOM 1213 C THR A 91 -18.095 -12.937 -10.779 1.00 10.00 C ATOM 1214 O THR A 91 -17.457 -13.882 -11.253 1.00 10.00 O ATOM 1215 CB THR A 91 -18.440 -12.592 -8.321 1.00 10.00 C ATOM 1216 OG1 THR A 91 -19.561 -11.704 -8.191 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.605 -12.547 -7.050 1.00 10.00 C ATOM 0 H THR A 91 -18.509 -10.312 -9.395 1.00 10.00 H new ATOM 0 HA THR A 91 -16.559 -12.455 -9.362 1.00 10.00 H new ATOM 0 HB THR A 91 -18.792 -13.613 -8.467 1.00 10.00 H new ATOM 0 HG1 THR A 91 -20.095 -11.963 -7.411 1.00 10.00 H new ATOM 0 HG21 THR A 91 -18.222 -12.836 -6.199 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.766 -13.237 -7.141 1.00 10.00 H new ATOM 0 HG23 THR A 91 -17.228 -11.536 -6.898 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.221 -12.487 -11.310 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.795 -13.114 -12.479 1.00 10.00 C ATOM 1227 C GLY A 92 -21.303 -13.189 -12.393 1.00 10.00 C ATOM 1228 O GLY A 92 -21.920 -12.455 -11.611 1.00 10.00 O ATOM 0 H GLY A 92 -19.750 -11.693 -10.949 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.509 -12.554 -13.369 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.387 -14.119 -12.590 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -13.493 6.886 14.290 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.842 5.999 13.192 1.00 10.00 C ATOM 1235 C ASP B 195 -12.734 4.975 12.973 1.00 10.00 C ATOM 1236 O ASP B 195 -12.090 4.542 13.936 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.079 6.805 11.915 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.260 6.283 11.128 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -16.286 6.989 11.048 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -15.176 5.159 10.595 1.00 10.00 O ATOM 0 HA ASP B 195 -14.762 5.472 13.446 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.248 7.851 12.172 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.185 6.770 11.293 1.00 10.00 H new ATOM 1245 N THR B 196 -12.509 4.588 11.721 1.00 10.00 N ATOM 1246 CA THR B 196 -11.450 3.650 11.422 1.00 10.00 C ATOM 1247 C THR B 196 -10.407 4.314 10.524 1.00 10.00 C ATOM 1248 O THR B 196 -10.719 4.822 9.443 1.00 10.00 O ATOM 1249 CB THR B 196 -11.993 2.381 10.730 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.273 2.029 11.274 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.021 1.225 10.908 1.00 10.00 C ATOM 0 H THR B 196 -13.042 4.908 10.912 1.00 10.00 H new ATOM 0 HA THR B 196 -10.993 3.352 12.366 1.00 10.00 H new ATOM 0 HB THR B 196 -12.104 2.588 9.666 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.608 1.224 10.827 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.417 0.337 10.415 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.060 1.487 10.466 1.00 10.00 H new ATOM 0 HG23 THR B 196 -10.889 1.021 11.971 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.165 4.302 10.992 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.055 4.904 10.274 1.00 10.00 C ATOM 1261 C ALA B 197 -6.923 3.912 10.064 1.00 10.00 C ATOM 1262 O ALA B 197 -6.522 3.209 10.993 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.548 6.128 11.017 1.00 10.00 C ATOM 0 H ALA B 197 -8.902 3.874 11.880 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.420 5.207 9.293 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.716 6.569 10.467 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.352 6.859 11.106 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.211 5.836 12.012 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.432 3.833 8.847 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.328 2.953 8.549 1.00 10.00 C ATOM 1271 C GLY B 198 -4.161 3.736 7.976 1.00 10.00 C ATOM 1272 O GLY B 198 -4.354 4.549 7.082 1.00 10.00 O ATOM 0 H GLY B 198 -6.780 4.367 8.051 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.015 2.434 9.455 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.645 2.190 7.838 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.961 3.536 8.490 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.805 4.262 7.969 1.00 10.00 C ATOM 1278 C CYS B 199 -0.775 3.289 7.412 1.00 10.00 C ATOM 1279 O CYS B 199 -0.359 2.356 8.097 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.185 5.132 9.073 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.402 6.106 9.995 1.00 10.00 S ATOM 0 H CYS B 199 -2.757 2.891 9.253 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.135 4.913 7.159 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.643 4.491 9.768 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.455 5.807 8.626 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.796 6.808 10.906 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.405 3.483 6.150 1.00 10.00 N ATOM 1288 CA ILE B 200 0.584 2.635 5.498 1.00 10.00 C ATOM 1289 C ILE B 200 1.715 3.479 4.917 1.00 10.00 C ATOM 1290 O ILE B 200 1.462 4.468 4.226 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.036 1.776 4.366 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.279 1.032 4.866 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.991 0.791 3.825 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.877 0.078 3.853 1.00 10.00 C ATOM 0 H ILE B 200 -0.778 4.224 5.557 1.00 10.00 H new ATOM 0 HA ILE B 200 0.974 1.964 6.264 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.339 2.442 3.558 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.018 0.474 5.765 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.036 1.762 5.153 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.541 0.195 3.031 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.846 1.338 3.428 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.323 0.133 4.628 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.752 -0.408 4.284 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.172 0.632 2.961 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.138 -0.677 3.584 1.00 10.00 H new ATOM 1306 N VAL B 201 2.952 3.119 5.207 1.00 10.00 N ATOM 1307 CA VAL B 201 4.093 3.835 4.651 1.00 10.00 C ATOM 1308 C VAL B 201 4.950 2.857 3.849 1.00 10.00 C ATOM 1309 O VAL B 201 5.300 1.785 4.344 1.00 10.00 O ATOM 1310 CB VAL B 201 4.947 4.531 5.747 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.329 3.560 6.850 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.196 5.164 5.148 1.00 10.00 C ATOM 0 H VAL B 201 3.195 2.341 5.820 1.00 10.00 H new ATOM 0 HA VAL B 201 3.715 4.625 4.002 1.00 10.00 H new ATOM 0 HB VAL B 201 4.334 5.319 6.184 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.926 4.078 7.601 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.426 3.164 7.315 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.910 2.740 6.428 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.775 5.644 5.937 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.802 4.393 4.671 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.907 5.909 4.406 1.00 10.00 H new ATOM 1322 N ILE B 202 5.259 3.199 2.610 1.00 10.00 N ATOM 1323 CA ILE B 202 6.073 2.326 1.777 1.00 10.00 C ATOM 1324 C ILE B 202 7.336 3.052 1.351 1.00 10.00 C ATOM 1325 O ILE B 202 7.281 4.191 0.891 1.00 10.00 O ATOM 1326 CB ILE B 202 5.307 1.789 0.533 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.987 2.916 -0.460 1.00 10.00 C ATOM 1328 CG2 ILE B 202 4.033 1.075 0.973 1.00 10.00 C ATOM 1329 CD1 ILE B 202 4.040 2.507 -1.569 1.00 10.00 C ATOM 0 H ILE B 202 4.963 4.066 2.161 1.00 10.00 H new ATOM 0 HA ILE B 202 6.333 1.456 2.380 1.00 10.00 H new ATOM 0 HB ILE B 202 5.951 1.076 0.018 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.552 3.754 0.085 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.917 3.272 -0.903 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.503 0.703 0.096 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.290 0.239 1.624 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.393 1.772 1.514 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.863 3.357 -2.228 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.480 1.690 -2.140 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.094 2.180 -1.137 1.00 10.00 H new HETATM 1341 N SEP B 203 8.475 2.403 1.531 1.00 10.00 N HETATM 1342 CA SEP B 203 9.742 3.000 1.165 1.00 10.00 C HETATM 1343 CB SEP B 203 10.646 3.116 2.391 1.00 10.00 C HETATM 1344 OG SEP B 203 10.101 4.008 3.355 1.00 10.00 O HETATM 1345 C SEP B 203 10.437 2.180 0.091 1.00 10.00 C HETATM 1346 O SEP B 203 10.592 0.965 0.215 1.00 10.00 O HETATM 1347 P SEP B 203 10.828 5.402 3.635 1.00 10.00 P HETATM 1348 O1P SEP B 203 12.146 5.536 2.991 1.00 10.00 O HETATM 1349 O2P SEP B 203 10.823 5.812 5.050 1.00 10.00 O HETATM 1350 O3P SEP B 203 9.929 6.493 2.899 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.782 2.132 2.839 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.632 3.466 2.086 1.00 10.00 H new HETATM 0 HA SEP B 203 9.544 3.996 0.769 1.00 10.00 H new ATOM 1355 N ASP B 204 10.817 2.849 -0.980 1.00 10.00 N ATOM 1356 CA ASP B 204 11.508 2.201 -2.076 1.00 10.00 C ATOM 1357 C ASP B 204 12.847 2.873 -2.293 1.00 10.00 C ATOM 1358 O ASP B 204 12.920 4.093 -2.400 1.00 10.00 O ATOM 1359 CB ASP B 204 10.664 2.282 -3.351 1.00 10.00 C ATOM 1360 CG ASP B 204 11.122 1.341 -4.443 1.00 10.00 C ATOM 1361 OD1 ASP B 204 12.158 1.609 -5.083 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.422 0.341 -4.693 1.00 10.00 O ATOM 0 H ASP B 204 10.657 3.847 -1.114 1.00 10.00 H new ATOM 0 HA ASP B 204 11.668 1.151 -1.832 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.626 2.060 -3.104 1.00 10.00 H new ATOM 0 HB3 ASP B 204 10.690 3.304 -3.729 1.00 10.00 H new HETATM 1367 N SEP B 205 13.908 2.096 -2.336 1.00 10.00 N HETATM 1368 CA SEP B 205 15.218 2.669 -2.557 1.00 10.00 C HETATM 1369 CB SEP B 205 16.110 2.449 -1.325 1.00 10.00 C HETATM 1370 OG SEP B 205 15.817 1.213 -0.684 1.00 10.00 O HETATM 1371 C SEP B 205 15.839 2.073 -3.814 1.00 10.00 C HETATM 1372 O SEP B 205 15.954 0.849 -3.953 1.00 10.00 O HETATM 1373 P SEP B 205 15.075 1.179 0.737 1.00 10.00 P HETATM 1374 O1P SEP B 205 15.846 0.504 1.791 1.00 10.00 O HETATM 1375 O2P SEP B 205 14.492 2.469 1.158 1.00 10.00 O HETATM 1376 O3P SEP B 205 13.812 0.226 0.503 1.00 10.00 O HETATM 0 HB3 SEP B 205 17.158 2.465 -1.625 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.968 3.268 -0.620 1.00 10.00 H new HETATM 0 HA SEP B 205 15.123 3.744 -2.706 1.00 10.00 H new ATOM 1381 N GLU B 206 16.259 2.940 -4.720 1.00 10.00 N ATOM 1382 CA GLU B 206 16.854 2.506 -5.973 1.00 10.00 C ATOM 1383 C GLU B 206 18.073 3.357 -6.302 1.00 10.00 C ATOM 1384 O GLU B 206 18.420 4.253 -5.532 1.00 10.00 O ATOM 1385 CB GLU B 206 15.821 2.596 -7.099 1.00 10.00 C ATOM 1386 CG GLU B 206 16.348 2.156 -8.454 1.00 10.00 C ATOM 1387 CD GLU B 206 16.466 0.649 -8.586 1.00 10.00 C ATOM 1388 OE1 GLU B 206 17.082 0.011 -7.708 1.00 10.00 O ATOM 1389 OE2 GLU B 206 15.965 0.094 -9.586 1.00 10.00 O ATOM 0 H GLU B 206 16.199 3.952 -4.611 1.00 10.00 H new ATOM 0 HA GLU B 206 17.175 1.469 -5.872 1.00 10.00 H new ATOM 0 HB2 GLU B 206 14.959 1.982 -6.838 1.00 10.00 H new ATOM 0 HB3 GLU B 206 15.468 3.625 -7.174 1.00 10.00 H new ATOM 0 HG2 GLU B 206 15.686 2.532 -9.234 1.00 10.00 H new ATOM 0 HG3 GLU B 206 17.326 2.607 -8.621 1.00 10.00 H new TER 1396 GLU B 206