USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 66 GLN : amide:sc= 0.393 K(o=0.95,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 173:sc= 0.562! (180deg=0) USER MOD Set 2.1: A 41 GLN : amide:sc= 1.21 K(o=2.4,f=-3.9!) USER MOD Set 2.2: A 44 SER OG : rot -152:sc= 1.2! USER MOD Set 3.1: A 9 SER OG : rot -115:sc= -0.842 USER MOD Set 3.2: A 11 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.3: A 12 THR OG1 : rot 139:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 1.15 (180deg=-1.11) USER MOD Single : A 2 SER OG : rot 180:sc= -0.165 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00213 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.71 K(o=0.71,f=-6.6!) USER MOD Single : A 16 THR OG1 : rot 100:sc= 1.05 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0841 K(o=-0.084,f=-0.83) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -123:sc= 0.497 USER MOD Single : A 58 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 3.16 (180deg=2.49) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -169:sc= 1.05 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= 0.866 (180deg=0.395) USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= 1.82 (180deg=1.57) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 61:sc= 1.22 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.0742 K(o=0.074,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.008 -25.769 -11.984 1.00 3.48 N ATOM 2 CA GLY A 1 13.228 -26.609 -11.777 1.00 3.50 C ATOM 3 C GLY A 1 13.396 -27.558 -12.963 1.00 3.32 C ATOM 4 O GLY A 1 14.195 -27.319 -13.844 1.00 3.73 O ATOM 0 H1 GLY A 1 12.243 -24.769 -11.821 1.00 3.48 H new ATOM 0 H2 GLY A 1 11.665 -25.889 -12.958 1.00 3.48 H new ATOM 0 H3 GLY A 1 11.266 -26.064 -11.317 1.00 3.48 H new ATOM 0 HA2 GLY A 1 14.108 -25.974 -11.678 1.00 3.50 H new ATOM 0 HA3 GLY A 1 13.139 -27.178 -10.851 1.00 3.50 H new ATOM 10 N SER A 2 12.643 -28.627 -12.993 1.00 2.92 N ATOM 11 CA SER A 2 12.752 -29.590 -14.126 1.00 3.01 C ATOM 12 C SER A 2 11.373 -29.939 -14.699 1.00 2.98 C ATOM 13 O SER A 2 11.197 -30.027 -15.897 1.00 3.30 O ATOM 14 CB SER A 2 13.424 -30.833 -13.538 1.00 3.02 C ATOM 15 OG SER A 2 12.517 -31.501 -12.667 1.00 2.81 O ATOM 0 H SER A 2 11.957 -28.874 -12.280 1.00 2.92 H new ATOM 0 HA SER A 2 13.324 -29.168 -14.952 1.00 3.01 H new ATOM 0 HB2 SER A 2 13.735 -31.504 -14.339 1.00 3.02 H new ATOM 0 HB3 SER A 2 14.324 -30.548 -12.993 1.00 3.02 H new ATOM 0 HG SER A 2 12.949 -32.297 -12.293 1.00 2.81 H new ATOM 21 N MET A 3 10.400 -30.139 -13.855 1.00 2.78 N ATOM 22 CA MET A 3 9.033 -30.491 -14.351 1.00 2.92 C ATOM 23 C MET A 3 8.097 -29.290 -14.241 1.00 2.93 C ATOM 24 O MET A 3 7.431 -29.099 -13.242 1.00 2.79 O ATOM 25 CB MET A 3 8.556 -31.624 -13.443 1.00 2.84 C ATOM 26 CG MET A 3 9.453 -32.841 -13.637 1.00 3.13 C ATOM 27 SD MET A 3 8.521 -34.129 -14.497 1.00 3.77 S ATOM 28 CE MET A 3 9.703 -35.466 -14.245 1.00 4.34 C ATOM 0 H MET A 3 10.489 -30.075 -12.841 1.00 2.78 H new ATOM 0 HA MET A 3 9.045 -30.786 -15.400 1.00 2.92 H new ATOM 0 HB2 MET A 3 8.579 -31.304 -12.401 1.00 2.84 H new ATOM 0 HB3 MET A 3 7.522 -31.880 -13.675 1.00 2.84 H new ATOM 0 HG2 MET A 3 10.338 -32.569 -14.213 1.00 3.13 H new ATOM 0 HG3 MET A 3 9.802 -33.209 -12.672 1.00 3.13 H new ATOM 0 HE1 MET A 3 9.324 -36.379 -14.705 1.00 4.34 H new ATOM 0 HE2 MET A 3 10.657 -35.199 -14.701 1.00 4.34 H new ATOM 0 HE3 MET A 3 9.845 -35.630 -13.177 1.00 4.34 H new ATOM 38 N SER A 4 8.026 -28.493 -15.273 1.00 3.33 N ATOM 39 CA SER A 4 7.124 -27.297 -15.253 1.00 3.59 C ATOM 40 C SER A 4 5.701 -27.691 -14.844 1.00 3.50 C ATOM 41 O SER A 4 4.988 -26.916 -14.242 1.00 3.53 O ATOM 42 CB SER A 4 7.137 -26.752 -16.683 1.00 4.20 C ATOM 43 OG SER A 4 7.025 -27.833 -17.605 1.00 4.46 O ATOM 0 H SER A 4 8.556 -28.617 -16.136 1.00 3.33 H new ATOM 0 HA SER A 4 7.462 -26.554 -14.530 1.00 3.59 H new ATOM 0 HB2 SER A 4 6.313 -26.053 -16.824 1.00 4.20 H new ATOM 0 HB3 SER A 4 8.059 -26.199 -16.864 1.00 4.20 H new ATOM 0 HG SER A 4 7.032 -27.484 -18.521 1.00 4.46 H new ATOM 49 N ILE A 5 5.296 -28.892 -15.160 1.00 3.51 N ATOM 50 CA ILE A 5 3.925 -29.363 -14.788 1.00 3.57 C ATOM 51 C ILE A 5 3.728 -29.296 -13.276 1.00 3.08 C ATOM 52 O ILE A 5 2.679 -28.926 -12.785 1.00 3.12 O ATOM 53 CB ILE A 5 3.873 -30.813 -15.272 1.00 3.78 C ATOM 54 CG1 ILE A 5 5.027 -31.626 -14.652 1.00 3.46 C ATOM 55 CG2 ILE A 5 3.985 -30.827 -16.794 1.00 4.32 C ATOM 56 CD1 ILE A 5 5.454 -32.752 -15.590 1.00 3.89 C ATOM 0 H ILE A 5 5.860 -29.575 -15.665 1.00 3.51 H new ATOM 0 HA ILE A 5 3.141 -28.749 -15.231 1.00 3.57 H new ATOM 0 HB ILE A 5 2.930 -31.266 -14.965 1.00 3.78 H new ATOM 0 HG12 ILE A 5 5.875 -30.971 -14.452 1.00 3.46 H new ATOM 0 HG13 ILE A 5 4.713 -32.042 -13.695 1.00 3.46 H new ATOM 0 HG21 ILE A 5 3.949 -31.856 -17.152 1.00 4.32 H new ATOM 0 HG22 ILE A 5 3.157 -30.264 -17.225 1.00 4.32 H new ATOM 0 HG23 ILE A 5 4.929 -30.371 -17.094 1.00 4.32 H new ATOM 0 HD11 ILE A 5 6.269 -33.315 -15.135 1.00 3.89 H new ATOM 0 HD12 ILE A 5 4.609 -33.417 -15.768 1.00 3.89 H new ATOM 0 HD13 ILE A 5 5.789 -32.329 -16.537 1.00 3.89 H new ATOM 68 N MET A 6 4.738 -29.657 -12.550 1.00 2.70 N ATOM 69 CA MET A 6 4.659 -29.628 -11.059 1.00 2.29 C ATOM 70 C MET A 6 5.976 -29.144 -10.455 1.00 2.07 C ATOM 71 O MET A 6 6.054 -28.030 -9.979 1.00 2.05 O ATOM 72 CB MET A 6 4.358 -31.068 -10.644 1.00 2.33 C ATOM 73 CG MET A 6 2.848 -31.308 -10.699 1.00 2.56 C ATOM 74 SD MET A 6 2.259 -31.805 -9.062 1.00 2.46 S ATOM 75 CE MET A 6 0.537 -32.104 -9.525 1.00 2.68 C ATOM 0 H MET A 6 5.631 -29.977 -12.925 1.00 2.70 H new ATOM 0 HA MET A 6 3.892 -28.939 -10.705 1.00 2.29 H new ATOM 0 HB2 MET A 6 4.872 -31.764 -11.307 1.00 2.33 H new ATOM 0 HB3 MET A 6 4.730 -31.253 -9.636 1.00 2.33 H new ATOM 0 HG2 MET A 6 2.336 -30.402 -11.022 1.00 2.56 H new ATOM 0 HG3 MET A 6 2.618 -32.082 -11.431 1.00 2.56 H new ATOM 0 HE1 MET A 6 -0.025 -32.427 -8.649 1.00 2.68 H new ATOM 0 HE2 MET A 6 0.101 -31.185 -9.917 1.00 2.68 H new ATOM 0 HE3 MET A 6 0.495 -32.880 -10.289 1.00 2.68 H new ATOM 85 N ASP A 7 7.001 -29.969 -10.445 1.00 2.08 N ATOM 86 CA ASP A 7 8.318 -29.560 -9.847 1.00 2.05 C ATOM 87 C ASP A 7 8.187 -29.345 -8.326 1.00 1.95 C ATOM 88 O ASP A 7 8.988 -29.841 -7.553 1.00 2.13 O ATOM 89 CB ASP A 7 8.706 -28.259 -10.559 1.00 2.27 C ATOM 90 CG ASP A 7 10.222 -28.154 -10.646 1.00 2.40 C ATOM 91 OD1 ASP A 7 10.834 -29.056 -11.196 1.00 2.47 O ATOM 92 OD2 ASP A 7 10.751 -27.168 -10.174 1.00 2.86 O ATOM 0 H ASP A 7 6.982 -30.914 -10.828 1.00 2.08 H new ATOM 0 HA ASP A 7 9.079 -30.329 -9.981 1.00 2.05 H new ATOM 0 HB2 ASP A 7 8.272 -28.237 -11.559 1.00 2.27 H new ATOM 0 HB3 ASP A 7 8.303 -27.403 -10.018 1.00 2.27 H new ATOM 97 N HIS A 8 7.185 -28.615 -7.890 1.00 1.85 N ATOM 98 CA HIS A 8 6.983 -28.372 -6.426 1.00 1.98 C ATOM 99 C HIS A 8 5.479 -28.308 -6.104 1.00 1.85 C ATOM 100 O HIS A 8 5.068 -27.660 -5.159 1.00 1.94 O ATOM 101 CB HIS A 8 7.655 -27.021 -6.153 1.00 2.29 C ATOM 102 CG HIS A 8 8.972 -27.239 -5.457 1.00 2.67 C ATOM 103 ND1 HIS A 8 9.890 -28.176 -5.898 1.00 2.73 N ATOM 104 CD2 HIS A 8 9.544 -26.645 -4.359 1.00 3.14 C ATOM 105 CE1 HIS A 8 10.955 -28.120 -5.081 1.00 3.19 C ATOM 106 NE2 HIS A 8 10.797 -27.202 -4.124 1.00 3.47 N ATOM 0 H HIS A 8 6.492 -28.173 -8.494 1.00 1.85 H new ATOM 0 HA HIS A 8 7.405 -29.166 -5.810 1.00 1.98 H new ATOM 0 HB2 HIS A 8 7.812 -26.487 -7.090 1.00 2.29 H new ATOM 0 HB3 HIS A 8 7.006 -26.399 -5.537 1.00 2.29 H new ATOM 0 HD1 HIS A 8 9.778 -28.797 -6.699 1.00 2.73 H new ATOM 0 HD2 HIS A 8 9.090 -25.864 -3.767 1.00 3.14 H new ATOM 0 HE1 HIS A 8 11.832 -28.742 -5.185 1.00 3.19 H new ATOM 114 N SER A 9 4.661 -28.974 -6.898 1.00 1.71 N ATOM 115 CA SER A 9 3.170 -28.972 -6.690 1.00 1.68 C ATOM 116 C SER A 9 2.578 -27.576 -6.945 1.00 1.51 C ATOM 117 O SER A 9 3.224 -26.570 -6.717 1.00 1.46 O ATOM 118 CB SER A 9 2.926 -29.405 -5.237 1.00 1.99 C ATOM 119 OG SER A 9 1.526 -29.380 -4.967 1.00 2.08 O ATOM 0 H SER A 9 4.972 -29.529 -7.696 1.00 1.71 H new ATOM 0 HA SER A 9 2.684 -29.652 -7.389 1.00 1.68 H new ATOM 0 HB2 SER A 9 3.322 -30.407 -5.073 1.00 1.99 H new ATOM 0 HB3 SER A 9 3.452 -28.738 -4.553 1.00 1.99 H new ATOM 0 HG SER A 9 1.335 -28.695 -4.292 1.00 2.08 H new ATOM 125 N PRO A 10 1.350 -27.563 -7.405 1.00 1.49 N ATOM 126 CA PRO A 10 0.653 -26.278 -7.686 1.00 1.43 C ATOM 127 C PRO A 10 0.368 -25.534 -6.374 1.00 1.62 C ATOM 128 O PRO A 10 0.244 -24.323 -6.345 1.00 1.61 O ATOM 129 CB PRO A 10 -0.637 -26.717 -8.381 1.00 1.54 C ATOM 130 CG PRO A 10 -0.864 -28.120 -7.916 1.00 1.69 C ATOM 131 CD PRO A 10 0.497 -28.724 -7.696 1.00 1.61 C ATOM 0 HA PRO A 10 1.235 -25.588 -8.297 1.00 1.43 H new ATOM 0 HB2 PRO A 10 -1.472 -26.071 -8.110 1.00 1.54 H new ATOM 0 HB3 PRO A 10 -0.537 -26.671 -9.465 1.00 1.54 H new ATOM 0 HG2 PRO A 10 -1.448 -28.134 -6.996 1.00 1.69 H new ATOM 0 HG3 PRO A 10 -1.425 -28.688 -8.658 1.00 1.69 H new ATOM 0 HD2 PRO A 10 0.491 -29.434 -6.869 1.00 1.61 H new ATOM 0 HD3 PRO A 10 0.843 -29.264 -8.577 1.00 1.61 H new ATOM 139 N THR A 11 0.290 -26.261 -5.287 1.00 1.84 N ATOM 140 CA THR A 11 0.038 -25.638 -3.952 1.00 2.09 C ATOM 141 C THR A 11 1.170 -24.664 -3.609 1.00 2.02 C ATOM 142 O THR A 11 0.941 -23.505 -3.326 1.00 2.00 O ATOM 143 CB THR A 11 0.022 -26.811 -2.965 1.00 2.39 C ATOM 144 OG1 THR A 11 1.068 -27.726 -3.286 1.00 2.43 O ATOM 145 CG2 THR A 11 -1.323 -27.531 -3.042 1.00 2.57 C ATOM 0 H THR A 11 0.392 -27.276 -5.269 1.00 1.84 H new ATOM 0 HA THR A 11 -0.893 -25.071 -3.925 1.00 2.09 H new ATOM 0 HB THR A 11 0.172 -26.429 -1.955 1.00 2.39 H new ATOM 0 HG1 THR A 11 1.055 -28.473 -2.652 1.00 2.43 H new ATOM 0 HG21 THR A 11 -1.331 -28.364 -2.339 1.00 2.57 H new ATOM 0 HG22 THR A 11 -2.123 -26.835 -2.789 1.00 2.57 H new ATOM 0 HG23 THR A 11 -1.476 -27.908 -4.053 1.00 2.57 H new ATOM 153 N THR A 12 2.394 -25.127 -3.644 1.00 2.02 N ATOM 154 CA THR A 12 3.552 -24.235 -3.335 1.00 2.03 C ATOM 155 C THR A 12 3.588 -23.052 -4.309 1.00 1.78 C ATOM 156 O THR A 12 4.025 -21.968 -3.967 1.00 1.77 O ATOM 157 CB THR A 12 4.794 -25.117 -3.505 1.00 2.14 C ATOM 158 OG1 THR A 12 4.468 -26.469 -3.201 1.00 2.16 O ATOM 159 CG2 THR A 12 5.888 -24.644 -2.557 1.00 2.51 C ATOM 0 H THR A 12 2.642 -26.089 -3.874 1.00 2.02 H new ATOM 0 HA THR A 12 3.490 -23.813 -2.332 1.00 2.03 H new ATOM 0 HB THR A 12 5.143 -25.048 -4.535 1.00 2.14 H new ATOM 0 HG1 THR A 12 4.896 -27.063 -3.853 1.00 2.16 H new ATOM 0 HG21 THR A 12 6.771 -25.272 -2.678 1.00 2.51 H new ATOM 0 HG22 THR A 12 6.144 -23.609 -2.784 1.00 2.51 H new ATOM 0 HG23 THR A 12 5.533 -24.712 -1.529 1.00 2.51 H new ATOM 167 N GLY A 13 3.116 -23.251 -5.512 1.00 1.61 N ATOM 168 CA GLY A 13 3.101 -22.144 -6.518 1.00 1.44 C ATOM 169 C GLY A 13 2.060 -21.099 -6.113 1.00 1.41 C ATOM 170 O GLY A 13 2.379 -19.937 -5.926 1.00 1.37 O ATOM 0 H GLY A 13 2.738 -24.138 -5.844 1.00 1.61 H new ATOM 0 HA2 GLY A 13 4.087 -21.684 -6.583 1.00 1.44 H new ATOM 0 HA3 GLY A 13 2.868 -22.540 -7.507 1.00 1.44 H new ATOM 174 N VAL A 14 0.818 -21.501 -5.963 1.00 1.51 N ATOM 175 CA VAL A 14 -0.239 -20.525 -5.560 1.00 1.60 C ATOM 176 C VAL A 14 0.087 -19.930 -4.179 1.00 1.69 C ATOM 177 O VAL A 14 -0.192 -18.777 -3.917 1.00 1.69 O ATOM 178 CB VAL A 14 -1.562 -21.311 -5.546 1.00 1.82 C ATOM 179 CG1 VAL A 14 -1.851 -21.862 -6.945 1.00 1.81 C ATOM 180 CG2 VAL A 14 -1.497 -22.479 -4.556 1.00 1.98 C ATOM 0 H VAL A 14 0.495 -22.458 -6.102 1.00 1.51 H new ATOM 0 HA VAL A 14 -0.304 -19.683 -6.250 1.00 1.60 H new ATOM 0 HB VAL A 14 -2.356 -20.631 -5.238 1.00 1.82 H new ATOM 0 HG11 VAL A 14 -2.789 -22.418 -6.931 1.00 1.81 H new ATOM 0 HG12 VAL A 14 -1.929 -21.036 -7.652 1.00 1.81 H new ATOM 0 HG13 VAL A 14 -1.041 -22.525 -7.250 1.00 1.81 H new ATOM 0 HG21 VAL A 14 -2.445 -23.018 -4.566 1.00 1.98 H new ATOM 0 HG22 VAL A 14 -0.692 -23.155 -4.844 1.00 1.98 H new ATOM 0 HG23 VAL A 14 -1.308 -22.096 -3.553 1.00 1.98 H new ATOM 190 N VAL A 15 0.709 -20.690 -3.307 1.00 1.80 N ATOM 191 CA VAL A 15 1.075 -20.136 -1.966 1.00 1.96 C ATOM 192 C VAL A 15 2.200 -19.110 -2.133 1.00 1.82 C ATOM 193 O VAL A 15 2.176 -18.042 -1.548 1.00 1.84 O ATOM 194 CB VAL A 15 1.542 -21.344 -1.139 1.00 2.18 C ATOM 195 CG1 VAL A 15 2.331 -20.866 0.084 1.00 2.37 C ATOM 196 CG2 VAL A 15 0.325 -22.144 -0.667 1.00 2.38 C ATOM 0 H VAL A 15 0.976 -21.662 -3.465 1.00 1.80 H new ATOM 0 HA VAL A 15 0.244 -19.627 -1.477 1.00 1.96 H new ATOM 0 HB VAL A 15 2.180 -21.973 -1.760 1.00 2.18 H new ATOM 0 HG11 VAL A 15 2.659 -21.728 0.665 1.00 2.37 H new ATOM 0 HG12 VAL A 15 3.201 -20.297 -0.244 1.00 2.37 H new ATOM 0 HG13 VAL A 15 1.695 -20.232 0.702 1.00 2.37 H new ATOM 0 HG21 VAL A 15 0.658 -23.000 -0.081 1.00 2.38 H new ATOM 0 HG22 VAL A 15 -0.312 -21.508 -0.052 1.00 2.38 H new ATOM 0 HG23 VAL A 15 -0.238 -22.493 -1.532 1.00 2.38 H new ATOM 206 N THR A 16 3.170 -19.428 -2.947 1.00 1.71 N ATOM 207 CA THR A 16 4.302 -18.480 -3.188 1.00 1.65 C ATOM 208 C THR A 16 3.766 -17.161 -3.742 1.00 1.47 C ATOM 209 O THR A 16 4.055 -16.097 -3.227 1.00 1.49 O ATOM 210 CB THR A 16 5.213 -19.170 -4.212 1.00 1.64 C ATOM 211 OG1 THR A 16 5.773 -20.338 -3.631 1.00 1.85 O ATOM 212 CG2 THR A 16 6.344 -18.227 -4.622 1.00 1.69 C ATOM 0 H THR A 16 3.230 -20.308 -3.459 1.00 1.71 H new ATOM 0 HA THR A 16 4.844 -18.248 -2.271 1.00 1.65 H new ATOM 0 HB THR A 16 4.625 -19.435 -5.091 1.00 1.64 H new ATOM 0 HG1 THR A 16 5.268 -21.124 -3.926 1.00 1.85 H new ATOM 0 HG21 THR A 16 6.986 -18.724 -5.349 1.00 1.69 H new ATOM 0 HG22 THR A 16 5.923 -17.325 -5.066 1.00 1.69 H new ATOM 0 HG23 THR A 16 6.930 -17.959 -3.743 1.00 1.69 H new ATOM 220 N VAL A 17 2.973 -17.224 -4.779 1.00 1.35 N ATOM 221 CA VAL A 17 2.406 -15.970 -5.358 1.00 1.27 C ATOM 222 C VAL A 17 1.472 -15.293 -4.341 1.00 1.36 C ATOM 223 O VAL A 17 1.437 -14.084 -4.247 1.00 1.34 O ATOM 224 CB VAL A 17 1.655 -16.385 -6.633 1.00 1.27 C ATOM 225 CG1 VAL A 17 2.616 -17.087 -7.596 1.00 1.28 C ATOM 226 CG2 VAL A 17 0.500 -17.332 -6.296 1.00 1.37 C ATOM 0 H VAL A 17 2.694 -18.085 -5.249 1.00 1.35 H new ATOM 0 HA VAL A 17 3.183 -15.244 -5.596 1.00 1.27 H new ATOM 0 HB VAL A 17 1.252 -15.487 -7.101 1.00 1.27 H new ATOM 0 HG11 VAL A 17 2.078 -17.379 -8.498 1.00 1.28 H new ATOM 0 HG12 VAL A 17 3.427 -16.408 -7.860 1.00 1.28 H new ATOM 0 HG13 VAL A 17 3.028 -17.975 -7.116 1.00 1.28 H new ATOM 0 HG21 VAL A 17 -0.019 -17.614 -7.212 1.00 1.37 H new ATOM 0 HG22 VAL A 17 0.892 -18.226 -5.811 1.00 1.37 H new ATOM 0 HG23 VAL A 17 -0.197 -16.831 -5.624 1.00 1.37 H new ATOM 236 N ILE A 18 0.739 -16.056 -3.557 1.00 1.52 N ATOM 237 CA ILE A 18 -0.158 -15.427 -2.533 1.00 1.69 C ATOM 238 C ILE A 18 0.691 -14.738 -1.473 1.00 1.72 C ATOM 239 O ILE A 18 0.417 -13.623 -1.090 1.00 1.75 O ATOM 240 CB ILE A 18 -0.980 -16.581 -1.937 1.00 1.90 C ATOM 241 CG1 ILE A 18 -2.134 -16.938 -2.885 1.00 1.96 C ATOM 242 CG2 ILE A 18 -1.548 -16.173 -0.573 1.00 2.15 C ATOM 243 CD1 ILE A 18 -3.198 -15.834 -2.867 1.00 2.14 C ATOM 0 H ILE A 18 0.724 -17.076 -3.582 1.00 1.52 H new ATOM 0 HA ILE A 18 -0.815 -14.668 -2.957 1.00 1.69 H new ATOM 0 HB ILE A 18 -0.331 -17.448 -1.810 1.00 1.90 H new ATOM 0 HG12 ILE A 18 -1.754 -17.070 -3.898 1.00 1.96 H new ATOM 0 HG13 ILE A 18 -2.579 -17.887 -2.586 1.00 1.96 H new ATOM 0 HG21 ILE A 18 -2.129 -16.997 -0.159 1.00 2.15 H new ATOM 0 HG22 ILE A 18 -0.729 -15.930 0.104 1.00 2.15 H new ATOM 0 HG23 ILE A 18 -2.191 -15.301 -0.693 1.00 2.15 H new ATOM 0 HD11 ILE A 18 -4.010 -16.100 -3.544 1.00 2.14 H new ATOM 0 HD12 ILE A 18 -3.590 -15.723 -1.856 1.00 2.14 H new ATOM 0 HD13 ILE A 18 -2.752 -14.893 -3.189 1.00 2.14 H new ATOM 255 N VAL A 19 1.730 -15.372 -1.022 1.00 1.75 N ATOM 256 CA VAL A 19 2.612 -14.717 -0.009 1.00 1.84 C ATOM 257 C VAL A 19 3.241 -13.469 -0.638 1.00 1.67 C ATOM 258 O VAL A 19 3.307 -12.419 -0.025 1.00 1.71 O ATOM 259 CB VAL A 19 3.680 -15.761 0.345 1.00 1.97 C ATOM 260 CG1 VAL A 19 4.837 -15.090 1.088 1.00 2.16 C ATOM 261 CG2 VAL A 19 3.064 -16.836 1.244 1.00 2.28 C ATOM 0 H VAL A 19 2.011 -16.311 -1.305 1.00 1.75 H new ATOM 0 HA VAL A 19 2.074 -14.400 0.885 1.00 1.84 H new ATOM 0 HB VAL A 19 4.053 -16.215 -0.573 1.00 1.97 H new ATOM 0 HG11 VAL A 19 5.592 -15.836 1.336 1.00 2.16 H new ATOM 0 HG12 VAL A 19 5.281 -14.323 0.453 1.00 2.16 H new ATOM 0 HG13 VAL A 19 4.464 -14.632 2.004 1.00 2.16 H new ATOM 0 HG21 VAL A 19 3.822 -17.578 1.496 1.00 2.28 H new ATOM 0 HG22 VAL A 19 2.690 -16.375 2.158 1.00 2.28 H new ATOM 0 HG23 VAL A 19 2.241 -17.322 0.719 1.00 2.28 H new ATOM 271 N ILE A 20 3.675 -13.571 -1.871 1.00 1.50 N ATOM 272 CA ILE A 20 4.274 -12.385 -2.557 1.00 1.39 C ATOM 273 C ILE A 20 3.210 -11.302 -2.723 1.00 1.33 C ATOM 274 O ILE A 20 3.423 -10.153 -2.386 1.00 1.33 O ATOM 275 CB ILE A 20 4.756 -12.902 -3.920 1.00 1.34 C ATOM 276 CG1 ILE A 20 5.969 -13.812 -3.717 1.00 1.49 C ATOM 277 CG2 ILE A 20 5.153 -11.725 -4.813 1.00 1.35 C ATOM 278 CD1 ILE A 20 6.288 -14.545 -5.023 1.00 1.54 C ATOM 0 H ILE A 20 3.640 -14.423 -2.431 1.00 1.50 H new ATOM 0 HA ILE A 20 5.096 -11.944 -1.993 1.00 1.39 H new ATOM 0 HB ILE A 20 3.950 -13.460 -4.397 1.00 1.34 H new ATOM 0 HG12 ILE A 20 6.829 -13.222 -3.400 1.00 1.49 H new ATOM 0 HG13 ILE A 20 5.767 -14.532 -2.924 1.00 1.49 H new ATOM 0 HG21 ILE A 20 5.494 -12.099 -5.778 1.00 1.35 H new ATOM 0 HG22 ILE A 20 4.292 -11.073 -4.960 1.00 1.35 H new ATOM 0 HG23 ILE A 20 5.957 -11.163 -4.338 1.00 1.35 H new ATOM 0 HD11 ILE A 20 7.152 -15.192 -4.875 1.00 1.54 H new ATOM 0 HD12 ILE A 20 5.430 -15.148 -5.321 1.00 1.54 H new ATOM 0 HD13 ILE A 20 6.509 -13.817 -5.804 1.00 1.54 H new ATOM 290 N LEU A 21 2.058 -11.669 -3.216 1.00 1.34 N ATOM 291 CA LEU A 21 0.965 -10.662 -3.379 1.00 1.40 C ATOM 292 C LEU A 21 0.585 -10.115 -1.993 1.00 1.52 C ATOM 293 O LEU A 21 0.428 -8.920 -1.815 1.00 1.55 O ATOM 294 CB LEU A 21 -0.189 -11.416 -4.080 1.00 1.51 C ATOM 295 CG LEU A 21 -1.419 -11.552 -3.173 1.00 1.71 C ATOM 296 CD1 LEU A 21 -2.138 -10.207 -3.064 1.00 1.86 C ATOM 297 CD2 LEU A 21 -2.372 -12.578 -3.783 1.00 1.84 C ATOM 0 H LEU A 21 1.825 -12.617 -3.512 1.00 1.34 H new ATOM 0 HA LEU A 21 1.247 -9.796 -3.978 1.00 1.40 H new ATOM 0 HB2 LEU A 21 -0.467 -10.887 -4.992 1.00 1.51 H new ATOM 0 HB3 LEU A 21 0.153 -12.407 -4.378 1.00 1.51 H new ATOM 0 HG LEU A 21 -1.103 -11.872 -2.180 1.00 1.71 H new ATOM 0 HD11 LEU A 21 -3.010 -10.312 -2.419 1.00 1.86 H new ATOM 0 HD12 LEU A 21 -1.460 -9.465 -2.641 1.00 1.86 H new ATOM 0 HD13 LEU A 21 -2.457 -9.884 -4.055 1.00 1.86 H new ATOM 0 HD21 LEU A 21 -3.250 -12.683 -3.146 1.00 1.84 H new ATOM 0 HD22 LEU A 21 -2.680 -12.244 -4.774 1.00 1.84 H new ATOM 0 HD23 LEU A 21 -1.867 -13.540 -3.865 1.00 1.84 H new ATOM 309 N ILE A 22 0.475 -10.976 -1.002 1.00 1.64 N ATOM 310 CA ILE A 22 0.148 -10.487 0.376 1.00 1.82 C ATOM 311 C ILE A 22 1.234 -9.507 0.831 1.00 1.75 C ATOM 312 O ILE A 22 0.948 -8.442 1.351 1.00 1.81 O ATOM 313 CB ILE A 22 0.122 -11.743 1.267 1.00 2.01 C ATOM 314 CG1 ILE A 22 -1.203 -12.484 1.062 1.00 2.16 C ATOM 315 CG2 ILE A 22 0.248 -11.350 2.745 1.00 2.22 C ATOM 316 CD1 ILE A 22 -1.139 -13.848 1.753 1.00 2.34 C ATOM 0 H ILE A 22 0.597 -11.985 -1.089 1.00 1.64 H new ATOM 0 HA ILE A 22 -0.806 -9.961 0.422 1.00 1.82 H new ATOM 0 HB ILE A 22 0.959 -12.385 0.993 1.00 2.01 H new ATOM 0 HG12 ILE A 22 -2.027 -11.897 1.469 1.00 2.16 H new ATOM 0 HG13 ILE A 22 -1.399 -12.613 -0.003 1.00 2.16 H new ATOM 0 HG21 ILE A 22 0.228 -12.248 3.363 1.00 2.22 H new ATOM 0 HG22 ILE A 22 1.188 -10.822 2.902 1.00 2.22 H new ATOM 0 HG23 ILE A 22 -0.583 -10.701 3.021 1.00 2.22 H new ATOM 0 HD11 ILE A 22 -2.082 -14.375 1.607 1.00 2.34 H new ATOM 0 HD12 ILE A 22 -0.326 -14.435 1.326 1.00 2.34 H new ATOM 0 HD13 ILE A 22 -0.963 -13.708 2.820 1.00 2.34 H new ATOM 328 N ALA A 23 2.478 -9.853 0.619 1.00 1.67 N ATOM 329 CA ALA A 23 3.591 -8.938 1.019 1.00 1.66 C ATOM 330 C ALA A 23 3.512 -7.638 0.210 1.00 1.51 C ATOM 331 O ALA A 23 3.598 -6.556 0.758 1.00 1.52 O ATOM 332 CB ALA A 23 4.877 -9.705 0.702 1.00 1.68 C ATOM 0 H ALA A 23 2.772 -10.729 0.187 1.00 1.67 H new ATOM 0 HA ALA A 23 3.544 -8.659 2.072 1.00 1.66 H new ATOM 0 HB1 ALA A 23 5.740 -9.095 0.970 1.00 1.68 H new ATOM 0 HB2 ALA A 23 4.897 -10.633 1.273 1.00 1.68 H new ATOM 0 HB3 ALA A 23 4.911 -9.934 -0.363 1.00 1.68 H new ATOM 338 N ILE A 24 3.326 -7.738 -1.085 1.00 1.40 N ATOM 339 CA ILE A 24 3.214 -6.504 -1.926 1.00 1.32 C ATOM 340 C ILE A 24 2.058 -5.639 -1.404 1.00 1.40 C ATOM 341 O ILE A 24 2.199 -4.444 -1.215 1.00 1.41 O ATOM 342 CB ILE A 24 2.925 -7.006 -3.349 1.00 1.30 C ATOM 343 CG1 ILE A 24 4.202 -7.600 -3.952 1.00 1.29 C ATOM 344 CG2 ILE A 24 2.450 -5.844 -4.228 1.00 1.39 C ATOM 345 CD1 ILE A 24 3.845 -8.415 -5.197 1.00 1.35 C ATOM 0 H ILE A 24 3.247 -8.618 -1.594 1.00 1.40 H new ATOM 0 HA ILE A 24 4.116 -5.892 -1.900 1.00 1.32 H new ATOM 0 HB ILE A 24 2.147 -7.768 -3.304 1.00 1.30 H new ATOM 0 HG12 ILE A 24 4.899 -6.803 -4.213 1.00 1.29 H new ATOM 0 HG13 ILE A 24 4.702 -8.234 -3.220 1.00 1.29 H new ATOM 0 HG21 ILE A 24 2.247 -6.209 -5.235 1.00 1.39 H new ATOM 0 HG22 ILE A 24 1.540 -5.417 -3.807 1.00 1.39 H new ATOM 0 HG23 ILE A 24 3.225 -5.078 -4.268 1.00 1.39 H new ATOM 0 HD11 ILE A 24 4.753 -8.838 -5.627 1.00 1.35 H new ATOM 0 HD12 ILE A 24 3.164 -9.220 -4.922 1.00 1.35 H new ATOM 0 HD13 ILE A 24 3.364 -7.768 -5.930 1.00 1.35 H new ATOM 357 N ALA A 25 0.921 -6.245 -1.151 1.00 1.50 N ATOM 358 CA ALA A 25 -0.243 -5.472 -0.623 1.00 1.65 C ATOM 359 C ALA A 25 0.086 -4.912 0.762 1.00 1.71 C ATOM 360 O ALA A 25 -0.148 -3.749 1.042 1.00 1.74 O ATOM 361 CB ALA A 25 -1.393 -6.478 -0.548 1.00 1.83 C ATOM 0 H ALA A 25 0.752 -7.241 -1.288 1.00 1.50 H new ATOM 0 HA ALA A 25 -0.498 -4.621 -1.255 1.00 1.65 H new ATOM 0 HB1 ALA A 25 -2.286 -5.982 -0.167 1.00 1.83 H new ATOM 0 HB2 ALA A 25 -1.595 -6.875 -1.543 1.00 1.83 H new ATOM 0 HB3 ALA A 25 -1.119 -7.295 0.120 1.00 1.83 H new ATOM 367 N ALA A 26 0.651 -5.720 1.621 1.00 1.76 N ATOM 368 CA ALA A 26 1.020 -5.224 2.981 1.00 1.87 C ATOM 369 C ALA A 26 1.998 -4.055 2.836 1.00 1.74 C ATOM 370 O ALA A 26 1.830 -3.020 3.450 1.00 1.78 O ATOM 371 CB ALA A 26 1.673 -6.414 3.693 1.00 1.98 C ATOM 0 H ALA A 26 0.873 -6.699 1.441 1.00 1.76 H new ATOM 0 HA ALA A 26 0.162 -4.862 3.548 1.00 1.87 H new ATOM 0 HB1 ALA A 26 1.969 -6.118 4.700 1.00 1.98 H new ATOM 0 HB2 ALA A 26 0.962 -7.238 3.751 1.00 1.98 H new ATOM 0 HB3 ALA A 26 2.553 -6.733 3.135 1.00 1.98 H new ATOM 377 N LEU A 27 2.995 -4.199 1.996 1.00 1.61 N ATOM 378 CA LEU A 27 3.958 -3.083 1.776 1.00 1.52 C ATOM 379 C LEU A 27 3.198 -1.878 1.207 1.00 1.46 C ATOM 380 O LEU A 27 3.333 -0.769 1.687 1.00 1.49 O ATOM 381 CB LEU A 27 4.972 -3.624 0.760 1.00 1.44 C ATOM 382 CG LEU A 27 5.866 -2.484 0.268 1.00 1.42 C ATOM 383 CD1 LEU A 27 7.319 -2.954 0.226 1.00 1.58 C ATOM 384 CD2 LEU A 27 5.430 -2.058 -1.135 1.00 1.37 C ATOM 0 H LEU A 27 3.180 -5.043 1.455 1.00 1.61 H new ATOM 0 HA LEU A 27 4.454 -2.757 2.690 1.00 1.52 H new ATOM 0 HB2 LEU A 27 5.580 -4.404 1.218 1.00 1.44 H new ATOM 0 HB3 LEU A 27 4.450 -4.080 -0.082 1.00 1.44 H new ATOM 0 HG LEU A 27 5.777 -1.638 0.949 1.00 1.42 H new ATOM 0 HD11 LEU A 27 7.954 -2.141 -0.125 1.00 1.58 H new ATOM 0 HD12 LEU A 27 7.633 -3.255 1.225 1.00 1.58 H new ATOM 0 HD13 LEU A 27 7.408 -3.802 -0.453 1.00 1.58 H new ATOM 0 HD21 LEU A 27 6.068 -1.246 -1.483 1.00 1.37 H new ATOM 0 HD22 LEU A 27 5.516 -2.905 -1.816 1.00 1.37 H new ATOM 0 HD23 LEU A 27 4.394 -1.719 -1.107 1.00 1.37 H new ATOM 396 N GLY A 28 2.381 -2.101 0.198 1.00 1.44 N ATOM 397 CA GLY A 28 1.584 -0.987 -0.405 1.00 1.47 C ATOM 398 C GLY A 28 0.790 -0.271 0.691 1.00 1.59 C ATOM 399 O GLY A 28 0.680 0.941 0.695 1.00 1.63 O ATOM 0 H GLY A 28 2.234 -3.014 -0.233 1.00 1.44 H new ATOM 0 HA2 GLY A 28 2.247 -0.282 -0.907 1.00 1.47 H new ATOM 0 HA3 GLY A 28 0.905 -1.380 -1.162 1.00 1.47 H new ATOM 403 N ALA A 29 0.253 -1.006 1.636 1.00 1.69 N ATOM 404 CA ALA A 29 -0.507 -0.351 2.743 1.00 1.86 C ATOM 405 C ALA A 29 0.473 0.281 3.731 1.00 1.89 C ATOM 406 O ALA A 29 0.279 1.391 4.194 1.00 1.99 O ATOM 407 CB ALA A 29 -1.312 -1.473 3.403 1.00 2.00 C ATOM 0 H ALA A 29 0.308 -2.023 1.687 1.00 1.69 H new ATOM 0 HA ALA A 29 -1.162 0.445 2.389 1.00 1.86 H new ATOM 0 HB1 ALA A 29 -1.897 -1.065 4.228 1.00 2.00 H new ATOM 0 HB2 ALA A 29 -1.983 -1.920 2.669 1.00 2.00 H new ATOM 0 HB3 ALA A 29 -0.631 -2.234 3.783 1.00 2.00 H new ATOM 413 N LEU A 30 1.532 -0.418 4.032 1.00 1.87 N ATOM 414 CA LEU A 30 2.565 0.117 4.969 1.00 2.00 C ATOM 415 C LEU A 30 3.042 1.494 4.482 1.00 1.75 C ATOM 416 O LEU A 30 3.135 2.439 5.251 1.00 1.76 O ATOM 417 CB LEU A 30 3.708 -0.911 4.922 1.00 2.15 C ATOM 418 CG LEU A 30 3.727 -1.726 6.217 1.00 2.06 C ATOM 419 CD1 LEU A 30 4.553 -3.000 6.010 1.00 2.58 C ATOM 420 CD2 LEU A 30 4.358 -0.896 7.335 1.00 2.41 C ATOM 0 H LEU A 30 1.730 -1.349 3.665 1.00 1.87 H new ATOM 0 HA LEU A 30 2.188 0.253 5.983 1.00 2.00 H new ATOM 0 HB2 LEU A 30 3.578 -1.574 4.066 1.00 2.15 H new ATOM 0 HB3 LEU A 30 4.662 -0.401 4.788 1.00 2.15 H new ATOM 0 HG LEU A 30 2.705 -1.992 6.489 1.00 2.06 H new ATOM 0 HD11 LEU A 30 4.566 -3.579 6.933 1.00 2.58 H new ATOM 0 HD12 LEU A 30 4.108 -3.596 5.213 1.00 2.58 H new ATOM 0 HD13 LEU A 30 5.573 -2.732 5.736 1.00 2.58 H new ATOM 0 HD21 LEU A 30 4.371 -1.477 8.257 1.00 2.41 H new ATOM 0 HD22 LEU A 30 5.378 -0.630 7.059 1.00 2.41 H new ATOM 0 HD23 LEU A 30 3.775 0.012 7.487 1.00 2.41 H new ATOM 432 N ILE A 31 3.325 1.620 3.203 1.00 1.56 N ATOM 433 CA ILE A 31 3.787 2.937 2.664 1.00 1.38 C ATOM 434 C ILE A 31 2.611 3.910 2.499 1.00 1.41 C ATOM 435 O ILE A 31 2.714 5.064 2.871 1.00 1.41 O ATOM 436 CB ILE A 31 4.471 2.650 1.316 1.00 1.25 C ATOM 437 CG1 ILE A 31 3.624 1.723 0.436 1.00 1.28 C ATOM 438 CG2 ILE A 31 5.828 1.991 1.562 1.00 1.32 C ATOM 439 CD1 ILE A 31 3.633 2.231 -1.004 1.00 1.53 C ATOM 0 H ILE A 31 3.255 0.870 2.515 1.00 1.56 H new ATOM 0 HA ILE A 31 4.483 3.415 3.353 1.00 1.38 H new ATOM 0 HB ILE A 31 4.593 3.601 0.797 1.00 1.25 H new ATOM 0 HG12 ILE A 31 4.018 0.707 0.476 1.00 1.28 H new ATOM 0 HG13 ILE A 31 2.601 1.683 0.811 1.00 1.28 H new ATOM 0 HG21 ILE A 31 6.312 1.788 0.607 1.00 1.32 H new ATOM 0 HG22 ILE A 31 6.455 2.659 2.152 1.00 1.32 H new ATOM 0 HG23 ILE A 31 5.685 1.055 2.103 1.00 1.32 H new ATOM 0 HD11 ILE A 31 3.030 1.570 -1.627 1.00 1.53 H new ATOM 0 HD12 ILE A 31 3.218 3.239 -1.037 1.00 1.53 H new ATOM 0 HD13 ILE A 31 4.657 2.248 -1.378 1.00 1.53 H new ATOM 451 N LEU A 32 1.492 3.465 1.971 1.00 1.50 N ATOM 452 CA LEU A 32 0.322 4.388 1.820 1.00 1.63 C ATOM 453 C LEU A 32 -0.042 4.964 3.191 1.00 1.79 C ATOM 454 O LEU A 32 -0.259 6.151 3.340 1.00 1.84 O ATOM 455 CB LEU A 32 -0.823 3.525 1.279 1.00 1.80 C ATOM 456 CG LEU A 32 -2.068 4.397 1.070 1.00 2.02 C ATOM 457 CD1 LEU A 32 -2.589 4.216 -0.355 1.00 2.03 C ATOM 458 CD2 LEU A 32 -3.154 3.983 2.063 1.00 2.58 C ATOM 0 H LEU A 32 1.341 2.512 1.642 1.00 1.50 H new ATOM 0 HA LEU A 32 0.534 5.223 1.152 1.00 1.63 H new ATOM 0 HB2 LEU A 32 -0.529 3.061 0.338 1.00 1.80 H new ATOM 0 HB3 LEU A 32 -1.045 2.718 1.977 1.00 1.80 H new ATOM 0 HG LEU A 32 -1.806 5.443 1.230 1.00 2.02 H new ATOM 0 HD11 LEU A 32 -3.473 4.836 -0.501 1.00 2.03 H new ATOM 0 HD12 LEU A 32 -1.817 4.512 -1.065 1.00 2.03 H new ATOM 0 HD13 LEU A 32 -2.849 3.170 -0.517 1.00 2.03 H new ATOM 0 HD21 LEU A 32 -4.038 4.603 1.914 1.00 2.58 H new ATOM 0 HD22 LEU A 32 -3.413 2.936 1.903 1.00 2.58 H new ATOM 0 HD23 LEU A 32 -2.786 4.114 3.081 1.00 2.58 H new ATOM 470 N GLY A 33 -0.093 4.124 4.197 1.00 1.90 N ATOM 471 CA GLY A 33 -0.424 4.607 5.570 1.00 2.10 C ATOM 472 C GLY A 33 0.677 5.549 6.060 1.00 2.03 C ATOM 473 O GLY A 33 0.411 6.678 6.423 1.00 2.10 O ATOM 0 H GLY A 33 0.081 3.122 4.123 1.00 1.90 H new ATOM 0 HA2 GLY A 33 -1.383 5.124 5.563 1.00 2.10 H new ATOM 0 HA3 GLY A 33 -0.523 3.761 6.250 1.00 2.10 H new ATOM 477 N CYS A 34 1.913 5.103 6.069 1.00 1.92 N ATOM 478 CA CYS A 34 3.024 5.997 6.542 1.00 1.90 C ATOM 479 C CYS A 34 3.061 7.308 5.732 1.00 1.77 C ATOM 480 O CYS A 34 3.348 8.364 6.267 1.00 1.88 O ATOM 481 CB CYS A 34 4.316 5.198 6.334 1.00 1.84 C ATOM 482 SG CYS A 34 5.038 4.791 7.943 1.00 2.19 S ATOM 0 H CYS A 34 2.200 4.170 5.773 1.00 1.92 H new ATOM 0 HA CYS A 34 2.888 6.281 7.586 1.00 1.90 H new ATOM 0 HB2 CYS A 34 4.106 4.285 5.776 1.00 1.84 H new ATOM 0 HB3 CYS A 34 5.024 5.778 5.742 1.00 1.84 H new ATOM 0 HG CYS A 34 6.132 4.112 7.768 1.00 2.19 H new ATOM 488 N TRP A 35 2.780 7.246 4.453 1.00 1.59 N ATOM 489 CA TRP A 35 2.805 8.485 3.607 1.00 1.53 C ATOM 490 C TRP A 35 1.544 9.340 3.827 1.00 1.68 C ATOM 491 O TRP A 35 1.628 10.531 4.056 1.00 1.69 O ATOM 492 CB TRP A 35 2.853 7.969 2.164 1.00 1.46 C ATOM 493 CG TRP A 35 3.416 9.019 1.254 1.00 1.41 C ATOM 494 CD1 TRP A 35 2.963 10.291 1.146 1.00 1.51 C ATOM 495 CD2 TRP A 35 4.522 8.901 0.315 1.00 1.35 C ATOM 496 NE1 TRP A 35 3.724 10.959 0.201 1.00 1.52 N ATOM 497 CE2 TRP A 35 4.695 10.144 -0.339 1.00 1.42 C ATOM 498 CE3 TRP A 35 5.384 7.847 -0.029 1.00 1.32 C ATOM 499 CZ2 TRP A 35 5.686 10.331 -1.301 1.00 1.46 C ATOM 500 CZ3 TRP A 35 6.384 8.032 -0.997 1.00 1.36 C ATOM 501 CH2 TRP A 35 6.534 9.273 -1.631 1.00 1.43 C ATOM 0 H TRP A 35 2.534 6.390 3.956 1.00 1.59 H new ATOM 0 HA TRP A 35 3.653 9.124 3.854 1.00 1.53 H new ATOM 0 HB2 TRP A 35 3.464 7.068 2.113 1.00 1.46 H new ATOM 0 HB3 TRP A 35 1.851 7.693 1.836 1.00 1.46 H new ATOM 0 HD1 TRP A 35 2.142 10.715 1.705 1.00 1.51 H new ATOM 0 HE1 TRP A 35 3.583 11.934 -0.063 1.00 1.52 H new ATOM 0 HE3 TRP A 35 5.277 6.887 0.455 1.00 1.32 H new ATOM 0 HZ2 TRP A 35 5.797 11.289 -1.788 1.00 1.46 H new ATOM 0 HZ3 TRP A 35 7.041 7.214 -1.254 1.00 1.36 H new ATOM 0 HH2 TRP A 35 7.305 9.410 -2.374 1.00 1.43 H new ATOM 512 N CYS A 36 0.383 8.742 3.733 1.00 1.82 N ATOM 513 CA CYS A 36 -0.894 9.513 3.905 1.00 2.00 C ATOM 514 C CYS A 36 -1.162 9.867 5.379 1.00 2.10 C ATOM 515 O CYS A 36 -1.838 10.836 5.666 1.00 2.26 O ATOM 516 CB CYS A 36 -1.985 8.582 3.367 1.00 2.10 C ATOM 517 SG CYS A 36 -3.530 9.506 3.178 1.00 2.43 S ATOM 0 H CYS A 36 0.261 7.747 3.544 1.00 1.82 H new ATOM 0 HA CYS A 36 -0.856 10.467 3.379 1.00 2.00 H new ATOM 0 HB2 CYS A 36 -1.680 8.163 2.408 1.00 2.10 H new ATOM 0 HB3 CYS A 36 -2.131 7.744 4.049 1.00 2.10 H new ATOM 0 HG CYS A 36 -4.455 8.716 2.719 1.00 2.43 H new ATOM 523 N TYR A 37 -0.648 9.103 6.314 1.00 2.06 N ATOM 524 CA TYR A 37 -0.892 9.422 7.760 1.00 2.19 C ATOM 525 C TYR A 37 0.232 10.313 8.301 1.00 2.11 C ATOM 526 O TYR A 37 -0.017 11.344 8.894 1.00 2.21 O ATOM 527 CB TYR A 37 -0.908 8.067 8.474 1.00 2.25 C ATOM 528 CG TYR A 37 -1.566 8.209 9.827 1.00 2.46 C ATOM 529 CD1 TYR A 37 -2.961 8.217 9.929 1.00 2.74 C ATOM 530 CD2 TYR A 37 -0.782 8.330 10.978 1.00 2.57 C ATOM 531 CE1 TYR A 37 -3.572 8.345 11.183 1.00 3.00 C ATOM 532 CE2 TYR A 37 -1.394 8.458 12.232 1.00 2.83 C ATOM 533 CZ TYR A 37 -2.788 8.464 12.333 1.00 2.99 C ATOM 534 OH TYR A 37 -3.389 8.589 13.568 1.00 3.30 O ATOM 0 H TYR A 37 -0.074 8.278 6.142 1.00 2.06 H new ATOM 0 HA TYR A 37 -1.825 9.965 7.912 1.00 2.19 H new ATOM 0 HB2 TYR A 37 -1.447 7.335 7.872 1.00 2.25 H new ATOM 0 HB3 TYR A 37 0.110 7.696 8.592 1.00 2.25 H new ATOM 0 HD1 TYR A 37 -3.568 8.124 9.040 1.00 2.74 H new ATOM 0 HD2 TYR A 37 0.295 8.325 10.901 1.00 2.57 H new ATOM 0 HE1 TYR A 37 -4.649 8.352 11.261 1.00 3.00 H new ATOM 0 HE2 TYR A 37 -0.788 8.552 13.121 1.00 2.83 H new ATOM 0 HH TYR A 37 -2.700 8.660 14.261 1.00 3.30 H new ATOM 544 N LEU A 38 1.466 9.930 8.091 1.00 1.97 N ATOM 545 CA LEU A 38 2.602 10.763 8.584 1.00 1.91 C ATOM 546 C LEU A 38 3.144 11.632 7.447 1.00 1.77 C ATOM 547 O LEU A 38 2.976 12.836 7.449 1.00 1.84 O ATOM 548 CB LEU A 38 3.661 9.763 9.072 1.00 1.87 C ATOM 549 CG LEU A 38 4.922 10.514 9.516 1.00 1.86 C ATOM 550 CD1 LEU A 38 4.787 10.914 10.985 1.00 2.15 C ATOM 551 CD2 LEU A 38 6.140 9.606 9.348 1.00 1.89 C ATOM 0 H LEU A 38 1.735 9.077 7.600 1.00 1.97 H new ATOM 0 HA LEU A 38 2.303 11.441 9.383 1.00 1.91 H new ATOM 0 HB2 LEU A 38 3.265 9.177 9.901 1.00 1.87 H new ATOM 0 HB3 LEU A 38 3.907 9.062 8.274 1.00 1.87 H new ATOM 0 HG LEU A 38 5.046 11.408 8.905 1.00 1.86 H new ATOM 0 HD11 LEU A 38 5.683 11.448 11.301 1.00 2.15 H new ATOM 0 HD12 LEU A 38 3.918 11.560 11.108 1.00 2.15 H new ATOM 0 HD13 LEU A 38 4.663 10.020 11.596 1.00 2.15 H new ATOM 0 HD21 LEU A 38 7.037 10.139 9.663 1.00 1.89 H new ATOM 0 HD22 LEU A 38 6.015 8.712 9.960 1.00 1.89 H new ATOM 0 HD23 LEU A 38 6.238 9.318 8.301 1.00 1.89 H new ATOM 563 N ARG A 39 3.789 11.019 6.487 1.00 1.61 N ATOM 564 CA ARG A 39 4.367 11.768 5.327 1.00 1.53 C ATOM 565 C ARG A 39 5.312 10.844 4.537 1.00 1.40 C ATOM 566 O ARG A 39 5.136 10.633 3.353 1.00 1.41 O ATOM 567 CB ARG A 39 5.135 12.949 5.949 1.00 1.54 C ATOM 568 CG ARG A 39 6.289 13.377 5.041 1.00 1.44 C ATOM 569 CD ARG A 39 5.922 14.680 4.327 1.00 1.56 C ATOM 570 NE ARG A 39 6.525 14.551 2.968 1.00 1.61 N ATOM 571 CZ ARG A 39 5.910 13.876 2.042 1.00 1.65 C ATOM 572 NH1 ARG A 39 4.979 14.444 1.344 1.00 1.82 N ATOM 573 NH2 ARG A 39 6.226 12.639 1.823 1.00 1.59 N ATOM 0 H ARG A 39 3.943 10.011 6.457 1.00 1.61 H new ATOM 0 HA ARG A 39 3.606 12.118 4.629 1.00 1.53 H new ATOM 0 HB2 ARG A 39 4.458 13.788 6.106 1.00 1.54 H new ATOM 0 HB3 ARG A 39 5.521 12.664 6.928 1.00 1.54 H new ATOM 0 HG2 ARG A 39 7.196 13.515 5.629 1.00 1.44 H new ATOM 0 HG3 ARG A 39 6.499 12.596 4.310 1.00 1.44 H new ATOM 0 HD2 ARG A 39 4.841 14.809 4.270 1.00 1.56 H new ATOM 0 HD3 ARG A 39 6.319 15.547 4.856 1.00 1.56 H new ATOM 0 HE ARG A 39 7.421 14.993 2.765 1.00 1.61 H new ATOM 0 HH11 ARG A 39 4.730 15.417 1.521 1.00 1.82 H new ATOM 0 HH12 ARG A 39 4.494 13.918 0.617 1.00 1.82 H new ATOM 0 HH21 ARG A 39 6.958 12.194 2.377 1.00 1.59 H new ATOM 0 HH22 ARG A 39 5.743 12.110 1.097 1.00 1.59 H new ATOM 587 N LEU A 40 6.318 10.304 5.194 1.00 1.37 N ATOM 588 CA LEU A 40 7.305 9.397 4.510 1.00 1.34 C ATOM 589 C LEU A 40 8.114 10.162 3.444 1.00 1.34 C ATOM 590 O LEU A 40 7.823 11.300 3.119 1.00 1.39 O ATOM 591 CB LEU A 40 6.464 8.277 3.876 1.00 1.37 C ATOM 592 CG LEU A 40 7.237 6.954 3.921 1.00 1.58 C ATOM 593 CD1 LEU A 40 7.423 6.508 5.373 1.00 1.92 C ATOM 594 CD2 LEU A 40 6.450 5.884 3.164 1.00 1.62 C ATOM 0 H LEU A 40 6.499 10.455 6.186 1.00 1.37 H new ATOM 0 HA LEU A 40 8.037 8.997 5.211 1.00 1.34 H new ATOM 0 HB2 LEU A 40 5.519 8.174 4.409 1.00 1.37 H new ATOM 0 HB3 LEU A 40 6.222 8.532 2.844 1.00 1.37 H new ATOM 0 HG LEU A 40 8.214 7.094 3.459 1.00 1.58 H new ATOM 0 HD11 LEU A 40 7.973 5.567 5.397 1.00 1.92 H new ATOM 0 HD12 LEU A 40 7.981 7.269 5.919 1.00 1.92 H new ATOM 0 HD13 LEU A 40 6.447 6.370 5.839 1.00 1.92 H new ATOM 0 HD21 LEU A 40 6.996 4.941 3.194 1.00 1.62 H new ATOM 0 HD22 LEU A 40 5.474 5.752 3.630 1.00 1.62 H new ATOM 0 HD23 LEU A 40 6.318 6.194 2.128 1.00 1.62 H new ATOM 606 N GLN A 41 9.146 9.544 2.912 1.00 1.39 N ATOM 607 CA GLN A 41 10.005 10.216 1.879 1.00 1.48 C ATOM 608 C GLN A 41 10.507 11.580 2.390 1.00 1.50 C ATOM 609 O GLN A 41 10.655 12.520 1.635 1.00 1.66 O ATOM 610 CB GLN A 41 9.108 10.380 0.647 1.00 1.59 C ATOM 611 CG GLN A 41 9.579 9.429 -0.463 1.00 1.75 C ATOM 612 CD GLN A 41 10.632 10.118 -1.335 1.00 1.99 C ATOM 613 OE1 GLN A 41 11.748 9.655 -1.437 1.00 2.22 O ATOM 614 NE2 GLN A 41 10.324 11.205 -1.975 1.00 2.14 N ATOM 0 H GLN A 41 9.432 8.595 3.151 1.00 1.39 H new ATOM 0 HA GLN A 41 10.896 9.632 1.648 1.00 1.48 H new ATOM 0 HB2 GLN A 41 8.072 10.166 0.908 1.00 1.59 H new ATOM 0 HB3 GLN A 41 9.141 11.411 0.295 1.00 1.59 H new ATOM 0 HG2 GLN A 41 9.996 8.523 -0.023 1.00 1.75 H new ATOM 0 HG3 GLN A 41 8.731 9.125 -1.076 1.00 1.75 H new ATOM 0 HE21 GLN A 41 9.386 11.598 -1.892 1.00 2.14 H new ATOM 0 HE22 GLN A 41 11.020 11.666 -2.561 1.00 2.14 H new ATOM 623 N ARG A 42 10.784 11.681 3.667 1.00 1.42 N ATOM 624 CA ARG A 42 11.289 12.970 4.240 1.00 1.49 C ATOM 625 C ARG A 42 12.816 13.015 4.141 1.00 1.68 C ATOM 626 O ARG A 42 13.398 13.984 3.686 1.00 1.85 O ATOM 627 CB ARG A 42 10.822 12.958 5.701 1.00 1.45 C ATOM 628 CG ARG A 42 11.751 13.820 6.569 1.00 1.55 C ATOM 629 CD ARG A 42 11.122 15.198 6.782 1.00 1.64 C ATOM 630 NE ARG A 42 11.887 16.109 5.880 1.00 1.85 N ATOM 631 CZ ARG A 42 11.399 16.449 4.728 1.00 1.89 C ATOM 632 NH1 ARG A 42 10.340 17.188 4.667 1.00 1.98 N ATOM 633 NH2 ARG A 42 11.964 16.043 3.639 1.00 1.95 N ATOM 0 H ARG A 42 10.682 10.923 4.341 1.00 1.42 H new ATOM 0 HA ARG A 42 10.917 13.847 3.711 1.00 1.49 H new ATOM 0 HB2 ARG A 42 9.801 13.334 5.766 1.00 1.45 H new ATOM 0 HB3 ARG A 42 10.809 11.935 6.077 1.00 1.45 H new ATOM 0 HG2 ARG A 42 11.922 13.335 7.530 1.00 1.55 H new ATOM 0 HG3 ARG A 42 12.723 13.923 6.087 1.00 1.55 H new ATOM 0 HD2 ARG A 42 10.061 15.192 6.531 1.00 1.64 H new ATOM 0 HD3 ARG A 42 11.202 15.513 7.823 1.00 1.64 H new ATOM 0 HE ARG A 42 12.797 16.465 6.171 1.00 1.85 H new ATOM 0 HH11 ARG A 42 9.888 17.504 5.525 1.00 1.98 H new ATOM 0 HH12 ARG A 42 9.956 17.455 3.761 1.00 1.98 H new ATOM 0 HH21 ARG A 42 12.795 15.454 3.685 1.00 1.95 H new ATOM 0 HH22 ARG A 42 11.578 16.312 2.734 1.00 1.95 H new ATOM 647 N ILE A 43 13.458 11.964 4.563 1.00 1.73 N ATOM 648 CA ILE A 43 14.936 11.882 4.507 1.00 1.98 C ATOM 649 C ILE A 43 15.410 11.832 3.045 1.00 2.05 C ATOM 650 O ILE A 43 16.567 12.050 2.745 1.00 2.29 O ATOM 651 CB ILE A 43 15.200 10.574 5.263 1.00 2.08 C ATOM 652 CG1 ILE A 43 16.147 10.852 6.421 1.00 2.32 C ATOM 653 CG2 ILE A 43 15.767 9.481 4.354 1.00 2.20 C ATOM 654 CD1 ILE A 43 17.560 11.122 5.897 1.00 2.76 C ATOM 0 H ILE A 43 13.004 11.138 4.954 1.00 1.73 H new ATOM 0 HA ILE A 43 15.466 12.732 4.937 1.00 1.98 H new ATOM 0 HB ILE A 43 14.248 10.201 5.641 1.00 2.08 H new ATOM 0 HG12 ILE A 43 15.793 11.711 6.992 1.00 2.32 H new ATOM 0 HG13 ILE A 43 16.160 10.001 7.102 1.00 2.32 H new ATOM 0 HG21 ILE A 43 15.937 8.575 4.936 1.00 2.20 H new ATOM 0 HG22 ILE A 43 15.058 9.270 3.553 1.00 2.20 H new ATOM 0 HG23 ILE A 43 16.710 9.818 3.924 1.00 2.20 H new ATOM 0 HD11 ILE A 43 18.228 11.319 6.736 1.00 2.76 H new ATOM 0 HD12 ILE A 43 17.917 10.251 5.347 1.00 2.76 H new ATOM 0 HD13 ILE A 43 17.543 11.988 5.235 1.00 2.76 H new ATOM 666 N SER A 44 14.507 11.541 2.140 1.00 1.92 N ATOM 667 CA SER A 44 14.869 11.467 0.690 1.00 2.05 C ATOM 668 C SER A 44 14.467 12.767 -0.036 1.00 2.10 C ATOM 669 O SER A 44 14.221 13.786 0.582 1.00 2.11 O ATOM 670 CB SER A 44 14.082 10.266 0.159 1.00 2.00 C ATOM 671 OG SER A 44 14.144 10.234 -1.263 1.00 2.11 O ATOM 0 H SER A 44 13.526 11.350 2.346 1.00 1.92 H new ATOM 0 HA SER A 44 15.941 11.353 0.530 1.00 2.05 H new ATOM 0 HB2 SER A 44 14.490 9.343 0.570 1.00 2.00 H new ATOM 0 HB3 SER A 44 13.044 10.328 0.485 1.00 2.00 H new ATOM 0 HG SER A 44 13.340 9.799 -1.616 1.00 2.11 H new ATOM 677 N GLN A 45 14.409 12.736 -1.344 1.00 2.25 N ATOM 678 CA GLN A 45 14.036 13.961 -2.120 1.00 2.39 C ATOM 679 C GLN A 45 12.752 13.726 -2.931 1.00 2.38 C ATOM 680 O GLN A 45 12.196 12.646 -2.934 1.00 2.27 O ATOM 681 CB GLN A 45 15.224 14.202 -3.059 1.00 2.68 C ATOM 682 CG GLN A 45 16.425 14.719 -2.258 1.00 2.79 C ATOM 683 CD GLN A 45 16.298 16.230 -2.054 1.00 2.81 C ATOM 684 OE1 GLN A 45 15.966 16.956 -2.969 1.00 2.94 O ATOM 685 NE2 GLN A 45 16.559 16.734 -0.884 1.00 3.18 N ATOM 0 H GLN A 45 14.605 11.911 -1.911 1.00 2.25 H new ATOM 0 HA GLN A 45 13.839 14.813 -1.469 1.00 2.39 H new ATOM 0 HB2 GLN A 45 15.488 13.276 -3.571 1.00 2.68 H new ATOM 0 HB3 GLN A 45 14.950 14.924 -3.828 1.00 2.68 H new ATOM 0 HG2 GLN A 45 16.475 14.215 -1.293 1.00 2.79 H new ATOM 0 HG3 GLN A 45 17.351 14.490 -2.785 1.00 2.79 H new ATOM 0 HE21 GLN A 45 16.838 16.123 -0.116 1.00 3.18 H new ATOM 0 HE22 GLN A 45 16.485 17.740 -0.734 1.00 3.18 H new ATOM 694 N SER A 46 12.289 14.738 -3.630 1.00 2.57 N ATOM 695 CA SER A 46 11.043 14.598 -4.458 1.00 2.63 C ATOM 696 C SER A 46 9.847 14.199 -3.584 1.00 2.36 C ATOM 697 O SER A 46 9.227 13.174 -3.787 1.00 2.25 O ATOM 698 CB SER A 46 11.358 13.501 -5.470 1.00 2.73 C ATOM 699 OG SER A 46 10.573 13.699 -6.635 1.00 2.97 O ATOM 0 H SER A 46 12.723 15.661 -3.663 1.00 2.57 H new ATOM 0 HA SER A 46 10.772 15.536 -4.942 1.00 2.63 H new ATOM 0 HB2 SER A 46 12.418 13.518 -5.724 1.00 2.73 H new ATOM 0 HB3 SER A 46 11.149 12.522 -5.039 1.00 2.73 H new ATOM 0 HG SER A 46 10.774 12.997 -7.288 1.00 2.97 H new ATOM 705 N GLU A 47 9.525 15.008 -2.611 1.00 2.32 N ATOM 706 CA GLU A 47 8.374 14.687 -1.716 1.00 2.12 C ATOM 707 C GLU A 47 7.040 14.927 -2.431 1.00 2.23 C ATOM 708 O GLU A 47 6.942 15.735 -3.333 1.00 2.49 O ATOM 709 CB GLU A 47 8.508 15.633 -0.524 1.00 2.13 C ATOM 710 CG GLU A 47 9.338 14.962 0.572 1.00 2.06 C ATOM 711 CD GLU A 47 9.503 15.917 1.751 1.00 1.99 C ATOM 712 OE1 GLU A 47 10.418 16.725 1.715 1.00 2.21 O ATOM 713 OE2 GLU A 47 8.724 15.822 2.685 1.00 1.90 O ATOM 0 H GLU A 47 10.010 15.879 -2.396 1.00 2.32 H new ATOM 0 HA GLU A 47 8.386 13.640 -1.414 1.00 2.12 H new ATOM 0 HB2 GLU A 47 8.983 16.563 -0.836 1.00 2.13 H new ATOM 0 HB3 GLU A 47 7.521 15.892 -0.140 1.00 2.13 H new ATOM 0 HG2 GLU A 47 8.850 14.044 0.901 1.00 2.06 H new ATOM 0 HG3 GLU A 47 10.315 14.680 0.180 1.00 2.06 H new ATOM 720 N ASP A 48 6.015 14.233 -2.016 1.00 2.08 N ATOM 721 CA ASP A 48 4.671 14.408 -2.646 1.00 2.24 C ATOM 722 C ASP A 48 3.562 13.954 -1.680 1.00 2.07 C ATOM 723 O ASP A 48 3.829 13.397 -0.616 1.00 1.94 O ATOM 724 CB ASP A 48 4.699 13.517 -3.896 1.00 2.40 C ATOM 725 CG ASP A 48 3.673 14.016 -4.919 1.00 2.77 C ATOM 726 OD1 ASP A 48 2.493 13.789 -4.704 1.00 2.88 O ATOM 727 OD2 ASP A 48 4.084 14.613 -5.902 1.00 3.05 O ATOM 0 H ASP A 48 6.050 13.547 -1.262 1.00 2.08 H new ATOM 0 HA ASP A 48 4.464 15.449 -2.893 1.00 2.24 H new ATOM 0 HB2 ASP A 48 5.696 13.525 -4.336 1.00 2.40 H new ATOM 0 HB3 ASP A 48 4.479 12.485 -3.622 1.00 2.40 H new ATOM 732 N GLU A 49 2.329 14.180 -2.052 1.00 2.14 N ATOM 733 CA GLU A 49 1.174 13.772 -1.198 1.00 2.07 C ATOM 734 C GLU A 49 1.106 12.240 -1.081 1.00 1.98 C ATOM 735 O GLU A 49 0.690 11.704 -0.071 1.00 1.89 O ATOM 736 CB GLU A 49 -0.061 14.311 -1.930 1.00 2.27 C ATOM 737 CG GLU A 49 -0.562 15.578 -1.228 1.00 1.96 C ATOM 738 CD GLU A 49 -1.409 16.430 -2.180 1.00 2.28 C ATOM 739 OE1 GLU A 49 -1.198 16.361 -3.385 1.00 2.09 O ATOM 740 OE2 GLU A 49 -2.261 17.141 -1.684 1.00 3.02 O ATOM 0 H GLU A 49 2.070 14.638 -2.926 1.00 2.14 H new ATOM 0 HA GLU A 49 1.253 14.160 -0.182 1.00 2.07 H new ATOM 0 HB2 GLU A 49 0.187 14.532 -2.968 1.00 2.27 H new ATOM 0 HB3 GLU A 49 -0.847 13.556 -1.944 1.00 2.27 H new ATOM 0 HG2 GLU A 49 -1.153 15.305 -0.354 1.00 1.96 H new ATOM 0 HG3 GLU A 49 0.287 16.160 -0.870 1.00 1.96 H new ATOM 747 N GLU A 50 1.518 11.540 -2.109 1.00 2.06 N ATOM 748 CA GLU A 50 1.490 10.044 -2.080 1.00 2.00 C ATOM 749 C GLU A 50 2.550 9.481 -3.044 1.00 2.04 C ATOM 750 O GLU A 50 3.432 10.188 -3.497 1.00 2.10 O ATOM 751 CB GLU A 50 0.075 9.674 -2.549 1.00 2.10 C ATOM 752 CG GLU A 50 -0.613 8.786 -1.500 1.00 2.06 C ATOM 753 CD GLU A 50 0.021 7.390 -1.480 1.00 2.01 C ATOM 754 OE1 GLU A 50 0.303 6.866 -2.550 1.00 2.61 O ATOM 755 OE2 GLU A 50 0.222 6.870 -0.396 1.00 1.81 O ATOM 0 H GLU A 50 1.876 11.944 -2.975 1.00 2.06 H new ATOM 0 HA GLU A 50 1.712 9.636 -1.094 1.00 2.00 H new ATOM 0 HB2 GLU A 50 -0.511 10.579 -2.712 1.00 2.10 H new ATOM 0 HB3 GLU A 50 0.125 9.150 -3.504 1.00 2.10 H new ATOM 0 HG2 GLU A 50 -0.528 9.245 -0.515 1.00 2.06 H new ATOM 0 HG3 GLU A 50 -1.677 8.706 -1.724 1.00 2.06 H new ATOM 762 N SER A 51 2.466 8.215 -3.361 1.00 2.06 N ATOM 763 CA SER A 51 3.452 7.591 -4.294 1.00 2.13 C ATOM 764 C SER A 51 2.767 6.527 -5.148 1.00 2.07 C ATOM 765 O SER A 51 2.831 6.563 -6.359 1.00 2.13 O ATOM 766 CB SER A 51 4.522 6.966 -3.396 1.00 2.26 C ATOM 767 OG SER A 51 3.898 6.160 -2.396 1.00 3.38 O ATOM 0 H SER A 51 1.749 7.580 -3.010 1.00 2.06 H new ATOM 0 HA SER A 51 3.884 8.317 -4.982 1.00 2.13 H new ATOM 0 HB2 SER A 51 5.203 6.360 -3.993 1.00 2.26 H new ATOM 0 HB3 SER A 51 5.119 7.748 -2.927 1.00 2.26 H new ATOM 0 HG SER A 51 4.171 6.471 -1.508 1.00 3.38 H new ATOM 773 N ILE A 52 2.109 5.593 -4.527 1.00 2.01 N ATOM 774 CA ILE A 52 1.401 4.521 -5.292 1.00 2.01 C ATOM 775 C ILE A 52 0.067 5.057 -5.832 1.00 2.06 C ATOM 776 O ILE A 52 -0.351 4.721 -6.923 1.00 2.12 O ATOM 777 CB ILE A 52 1.186 3.378 -4.288 1.00 2.00 C ATOM 778 CG1 ILE A 52 0.089 3.742 -3.280 1.00 2.04 C ATOM 779 CG2 ILE A 52 2.483 3.108 -3.531 1.00 2.05 C ATOM 780 CD1 ILE A 52 -0.181 2.549 -2.359 1.00 2.12 C ATOM 0 H ILE A 52 2.028 5.521 -3.513 1.00 2.01 H new ATOM 0 HA ILE A 52 1.970 4.179 -6.157 1.00 2.01 H new ATOM 0 HB ILE A 52 0.882 2.489 -4.841 1.00 2.00 H new ATOM 0 HG12 ILE A 52 0.395 4.607 -2.691 1.00 2.04 H new ATOM 0 HG13 ILE A 52 -0.824 4.022 -3.806 1.00 2.04 H new ATOM 0 HG21 ILE A 52 2.327 2.297 -2.820 1.00 2.05 H new ATOM 0 HG22 ILE A 52 3.264 2.826 -4.237 1.00 2.05 H new ATOM 0 HG23 ILE A 52 2.785 4.008 -2.995 1.00 2.05 H new ATOM 0 HD11 ILE A 52 -0.961 2.811 -1.644 1.00 2.12 H new ATOM 0 HD12 ILE A 52 -0.506 1.696 -2.954 1.00 2.12 H new ATOM 0 HD13 ILE A 52 0.732 2.290 -1.822 1.00 2.12 H new ATOM 792 N VAL A 53 -0.593 5.896 -5.075 1.00 2.13 N ATOM 793 CA VAL A 53 -1.890 6.474 -5.539 1.00 2.26 C ATOM 794 C VAL A 53 -1.635 7.418 -6.719 1.00 2.29 C ATOM 795 O VAL A 53 -2.216 7.282 -7.779 1.00 2.36 O ATOM 796 CB VAL A 53 -2.421 7.234 -4.315 1.00 2.39 C ATOM 797 CG1 VAL A 53 -3.050 8.567 -4.734 1.00 2.71 C ATOM 798 CG2 VAL A 53 -3.465 6.372 -3.615 1.00 3.09 C ATOM 0 H VAL A 53 -0.288 6.206 -4.152 1.00 2.13 H new ATOM 0 HA VAL A 53 -2.602 5.726 -5.888 1.00 2.26 H new ATOM 0 HB VAL A 53 -1.592 7.445 -3.639 1.00 2.39 H new ATOM 0 HG11 VAL A 53 -3.419 9.088 -3.851 1.00 2.71 H new ATOM 0 HG12 VAL A 53 -2.301 9.182 -5.232 1.00 2.71 H new ATOM 0 HG13 VAL A 53 -3.878 8.380 -5.418 1.00 2.71 H new ATOM 0 HG21 VAL A 53 -3.849 6.902 -2.744 1.00 3.09 H new ATOM 0 HG22 VAL A 53 -4.284 6.162 -4.303 1.00 3.09 H new ATOM 0 HG23 VAL A 53 -3.009 5.434 -3.297 1.00 3.09 H new ATOM 808 N GLY A 54 -0.776 8.381 -6.526 1.00 2.30 N ATOM 809 CA GLY A 54 -0.467 9.358 -7.616 1.00 2.40 C ATOM 810 C GLY A 54 -1.494 10.487 -7.589 1.00 2.57 C ATOM 811 O GLY A 54 -1.145 11.642 -7.450 1.00 2.61 O ATOM 0 H GLY A 54 -0.270 8.536 -5.654 1.00 2.30 H new ATOM 0 HA2 GLY A 54 0.537 9.761 -7.484 1.00 2.40 H new ATOM 0 HA3 GLY A 54 -0.485 8.858 -8.584 1.00 2.40 H new ATOM 815 N ASP A 55 -2.758 10.143 -7.712 1.00 2.69 N ATOM 816 CA ASP A 55 -3.859 11.161 -7.688 1.00 2.88 C ATOM 817 C ASP A 55 -3.777 12.112 -8.897 1.00 3.01 C ATOM 818 O ASP A 55 -2.761 12.239 -9.554 1.00 2.97 O ATOM 819 CB ASP A 55 -3.684 11.923 -6.358 1.00 2.81 C ATOM 820 CG ASP A 55 -4.678 13.087 -6.273 1.00 3.03 C ATOM 821 OD1 ASP A 55 -5.862 12.851 -6.464 1.00 3.15 O ATOM 822 OD2 ASP A 55 -4.236 14.200 -6.025 1.00 3.11 O ATOM 0 H ASP A 55 -3.077 9.181 -7.830 1.00 2.69 H new ATOM 0 HA ASP A 55 -4.840 10.690 -7.755 1.00 2.88 H new ATOM 0 HB2 ASP A 55 -3.838 11.244 -5.520 1.00 2.81 H new ATOM 0 HB3 ASP A 55 -2.665 12.301 -6.280 1.00 2.81 H new ATOM 827 N GLY A 56 -4.854 12.795 -9.168 1.00 3.21 N ATOM 828 CA GLY A 56 -4.896 13.772 -10.294 1.00 3.37 C ATOM 829 C GLY A 56 -5.544 15.035 -9.748 1.00 3.45 C ATOM 830 O GLY A 56 -6.444 15.597 -10.340 1.00 3.63 O ATOM 0 H GLY A 56 -5.726 12.716 -8.645 1.00 3.21 H new ATOM 0 HA2 GLY A 56 -3.892 13.980 -10.664 1.00 3.37 H new ATOM 0 HA3 GLY A 56 -5.468 13.374 -11.132 1.00 3.37 H new ATOM 834 N GLU A 57 -5.106 15.440 -8.580 1.00 3.34 N ATOM 835 CA GLU A 57 -5.680 16.630 -7.894 1.00 3.43 C ATOM 836 C GLU A 57 -7.155 16.374 -7.551 1.00 3.56 C ATOM 837 O GLU A 57 -7.988 17.264 -7.592 1.00 3.69 O ATOM 838 CB GLU A 57 -5.507 17.812 -8.860 1.00 3.55 C ATOM 839 CG GLU A 57 -4.180 18.524 -8.562 1.00 3.59 C ATOM 840 CD GLU A 57 -4.170 19.017 -7.113 1.00 3.68 C ATOM 841 OE1 GLU A 57 -4.720 20.077 -6.863 1.00 3.87 O ATOM 842 OE2 GLU A 57 -3.616 18.318 -6.276 1.00 3.62 O ATOM 0 H GLU A 57 -4.355 14.980 -8.065 1.00 3.34 H new ATOM 0 HA GLU A 57 -5.177 16.844 -6.951 1.00 3.43 H new ATOM 0 HB2 GLU A 57 -5.519 17.458 -9.891 1.00 3.55 H new ATOM 0 HB3 GLU A 57 -6.338 18.509 -8.752 1.00 3.55 H new ATOM 0 HG2 GLU A 57 -3.346 17.843 -8.730 1.00 3.59 H new ATOM 0 HG3 GLU A 57 -4.047 19.365 -9.243 1.00 3.59 H new ATOM 849 N THR A 58 -7.474 15.154 -7.187 1.00 3.54 N ATOM 850 CA THR A 58 -8.879 14.802 -6.818 1.00 3.69 C ATOM 851 C THR A 58 -9.147 15.189 -5.356 1.00 3.53 C ATOM 852 O THR A 58 -9.675 14.412 -4.586 1.00 3.70 O ATOM 853 CB THR A 58 -9.000 13.270 -6.991 1.00 3.94 C ATOM 854 OG1 THR A 58 -7.962 12.774 -7.828 1.00 3.57 O ATOM 855 CG2 THR A 58 -10.348 12.932 -7.619 1.00 4.68 C ATOM 0 H THR A 58 -6.812 14.380 -7.130 1.00 3.54 H new ATOM 0 HA THR A 58 -9.601 15.330 -7.441 1.00 3.69 H new ATOM 0 HB THR A 58 -8.916 12.805 -6.009 1.00 3.94 H new ATOM 0 HG1 THR A 58 -7.233 12.426 -7.273 1.00 3.57 H new ATOM 0 HG21 THR A 58 -10.432 11.852 -7.741 1.00 4.68 H new ATOM 0 HG22 THR A 58 -11.150 13.288 -6.973 1.00 4.68 H new ATOM 0 HG23 THR A 58 -10.426 13.414 -8.594 1.00 4.68 H new ATOM 863 N LYS A 59 -8.779 16.382 -4.964 1.00 3.31 N ATOM 864 CA LYS A 59 -9.003 16.809 -3.549 1.00 3.20 C ATOM 865 C LYS A 59 -9.218 18.329 -3.463 1.00 2.94 C ATOM 866 O LYS A 59 -9.296 19.015 -4.466 1.00 2.86 O ATOM 867 CB LYS A 59 -7.724 16.390 -2.812 1.00 3.23 C ATOM 868 CG LYS A 59 -6.522 17.172 -3.355 1.00 2.95 C ATOM 869 CD LYS A 59 -5.569 16.216 -4.077 1.00 3.10 C ATOM 870 CE LYS A 59 -4.131 16.534 -3.670 1.00 3.39 C ATOM 871 NZ LYS A 59 -3.302 16.261 -4.876 1.00 3.21 N ATOM 0 H LYS A 59 -8.334 17.078 -5.561 1.00 3.31 H new ATOM 0 HA LYS A 59 -9.894 16.355 -3.116 1.00 3.20 H new ATOM 0 HB2 LYS A 59 -7.834 16.574 -1.743 1.00 3.23 H new ATOM 0 HB3 LYS A 59 -7.558 15.320 -2.936 1.00 3.23 H new ATOM 0 HG2 LYS A 59 -6.861 17.949 -4.040 1.00 2.95 H new ATOM 0 HG3 LYS A 59 -6.002 17.672 -2.538 1.00 2.95 H new ATOM 0 HD2 LYS A 59 -5.811 15.184 -3.825 1.00 3.10 H new ATOM 0 HD3 LYS A 59 -5.684 16.316 -5.156 1.00 3.10 H new ATOM 0 HE2 LYS A 59 -4.034 17.573 -3.355 1.00 3.39 H new ATOM 0 HE3 LYS A 59 -3.816 15.915 -2.830 1.00 3.39 H new ATOM 0 HZ1 LYS A 59 -2.297 16.244 -4.610 1.00 3.21 H new ATOM 0 HZ2 LYS A 59 -3.569 15.340 -5.279 1.00 3.21 H new ATOM 0 HZ3 LYS A 59 -3.461 17.008 -5.583 1.00 3.21 H new ATOM 885 N GLU A 60 -9.318 18.854 -2.272 1.00 2.86 N ATOM 886 CA GLU A 60 -9.536 20.322 -2.113 1.00 2.63 C ATOM 887 C GLU A 60 -8.435 20.940 -1.231 1.00 2.61 C ATOM 888 O GLU A 60 -8.667 21.264 -0.080 1.00 2.67 O ATOM 889 CB GLU A 60 -10.909 20.421 -1.448 1.00 2.65 C ATOM 890 CG GLU A 60 -11.993 20.470 -2.533 1.00 2.62 C ATOM 891 CD GLU A 60 -13.170 21.310 -2.050 1.00 2.82 C ATOM 892 OE1 GLU A 60 -13.862 20.863 -1.154 1.00 3.39 O ATOM 893 OE2 GLU A 60 -13.363 22.383 -2.590 1.00 2.83 O ATOM 0 H GLU A 60 -9.258 18.329 -1.400 1.00 2.86 H new ATOM 0 HA GLU A 60 -9.497 20.864 -3.058 1.00 2.63 H new ATOM 0 HB2 GLU A 60 -11.072 19.565 -0.793 1.00 2.65 H new ATOM 0 HB3 GLU A 60 -10.961 21.314 -0.825 1.00 2.65 H new ATOM 0 HG2 GLU A 60 -11.584 20.894 -3.450 1.00 2.62 H new ATOM 0 HG3 GLU A 60 -12.328 19.460 -2.771 1.00 2.62 H new ATOM 900 N PRO A 61 -7.258 21.078 -1.808 1.00 2.56 N ATOM 901 CA PRO A 61 -6.108 21.655 -1.064 1.00 2.54 C ATOM 902 C PRO A 61 -6.232 23.181 -0.907 1.00 2.32 C ATOM 903 O PRO A 61 -6.021 23.713 0.165 1.00 2.31 O ATOM 904 CB PRO A 61 -4.902 21.285 -1.926 1.00 2.61 C ATOM 905 CG PRO A 61 -5.440 21.093 -3.311 1.00 2.58 C ATOM 906 CD PRO A 61 -6.895 20.710 -3.187 1.00 2.57 C ATOM 0 HA PRO A 61 -6.039 21.273 -0.045 1.00 2.54 H new ATOM 0 HB2 PRO A 61 -4.148 22.072 -1.904 1.00 2.61 H new ATOM 0 HB3 PRO A 61 -4.424 20.376 -1.562 1.00 2.61 H new ATOM 0 HG2 PRO A 61 -5.333 22.008 -3.893 1.00 2.58 H new ATOM 0 HG3 PRO A 61 -4.883 20.316 -3.834 1.00 2.58 H new ATOM 0 HD2 PRO A 61 -7.509 21.242 -3.914 1.00 2.57 H new ATOM 0 HD3 PRO A 61 -7.041 19.645 -3.365 1.00 2.57 H new ATOM 914 N PHE A 62 -6.560 23.894 -1.960 1.00 2.21 N ATOM 915 CA PHE A 62 -6.678 25.382 -1.844 1.00 2.06 C ATOM 916 C PHE A 62 -7.404 25.985 -3.056 1.00 1.96 C ATOM 917 O PHE A 62 -8.502 26.497 -2.941 1.00 1.87 O ATOM 918 CB PHE A 62 -5.228 25.880 -1.757 1.00 2.08 C ATOM 919 CG PHE A 62 -5.203 27.335 -1.354 1.00 2.17 C ATOM 920 CD1 PHE A 62 -5.454 27.698 -0.028 1.00 2.76 C ATOM 921 CD2 PHE A 62 -4.919 28.316 -2.304 1.00 2.16 C ATOM 922 CE1 PHE A 62 -5.423 29.045 0.345 1.00 3.17 C ATOM 923 CE2 PHE A 62 -4.886 29.662 -1.932 1.00 2.65 C ATOM 924 CZ PHE A 62 -5.138 30.027 -0.607 1.00 3.08 C ATOM 0 H PHE A 62 -6.749 23.513 -2.887 1.00 2.21 H new ATOM 0 HA PHE A 62 -7.268 25.679 -0.977 1.00 2.06 H new ATOM 0 HB2 PHE A 62 -4.673 25.284 -1.032 1.00 2.08 H new ATOM 0 HB3 PHE A 62 -4.733 25.753 -2.720 1.00 2.08 H new ATOM 0 HD1 PHE A 62 -5.672 26.938 0.708 1.00 2.76 H new ATOM 0 HD2 PHE A 62 -4.724 28.035 -3.328 1.00 2.16 H new ATOM 0 HE1 PHE A 62 -5.619 29.326 1.369 1.00 3.17 H new ATOM 0 HE2 PHE A 62 -4.666 30.421 -2.669 1.00 2.65 H new ATOM 0 HZ PHE A 62 -5.112 31.068 -0.319 1.00 3.08 H new ATOM 934 N LEU A 63 -6.797 25.927 -4.211 1.00 2.05 N ATOM 935 CA LEU A 63 -7.441 26.497 -5.440 1.00 2.05 C ATOM 936 C LEU A 63 -8.793 25.828 -5.689 1.00 2.06 C ATOM 937 O LEU A 63 -9.795 26.485 -5.920 1.00 1.95 O ATOM 938 CB LEU A 63 -6.462 26.195 -6.577 1.00 2.31 C ATOM 939 CG LEU A 63 -5.353 27.249 -6.585 1.00 2.39 C ATOM 940 CD1 LEU A 63 -4.061 26.628 -7.114 1.00 2.71 C ATOM 941 CD2 LEU A 63 -5.769 28.408 -7.493 1.00 2.59 C ATOM 0 H LEU A 63 -5.879 25.509 -4.361 1.00 2.05 H new ATOM 0 HA LEU A 63 -7.635 27.566 -5.349 1.00 2.05 H new ATOM 0 HB2 LEU A 63 -6.033 25.201 -6.448 1.00 2.31 H new ATOM 0 HB3 LEU A 63 -6.986 26.195 -7.533 1.00 2.31 H new ATOM 0 HG LEU A 63 -5.189 27.615 -5.572 1.00 2.39 H new ATOM 0 HD11 LEU A 63 -3.272 27.380 -7.119 1.00 2.71 H new ATOM 0 HD12 LEU A 63 -3.767 25.798 -6.472 1.00 2.71 H new ATOM 0 HD13 LEU A 63 -4.221 26.263 -8.129 1.00 2.71 H new ATOM 0 HD21 LEU A 63 -4.983 29.163 -7.503 1.00 2.59 H new ATOM 0 HD22 LEU A 63 -5.929 28.038 -8.506 1.00 2.59 H new ATOM 0 HD23 LEU A 63 -6.692 28.851 -7.118 1.00 2.59 H new ATOM 953 N LEU A 64 -8.822 24.525 -5.617 1.00 2.23 N ATOM 954 CA LEU A 64 -10.101 23.778 -5.819 1.00 2.31 C ATOM 955 C LEU A 64 -11.129 24.236 -4.776 1.00 2.15 C ATOM 956 O LEU A 64 -12.289 24.418 -5.086 1.00 2.10 O ATOM 957 CB LEU A 64 -9.743 22.301 -5.633 1.00 2.58 C ATOM 958 CG LEU A 64 -9.585 21.643 -7.005 1.00 2.91 C ATOM 959 CD1 LEU A 64 -8.284 20.841 -7.046 1.00 3.23 C ATOM 960 CD2 LEU A 64 -10.765 20.705 -7.256 1.00 3.30 C ATOM 0 H LEU A 64 -8.009 23.940 -5.425 1.00 2.23 H new ATOM 0 HA LEU A 64 -10.541 23.953 -6.801 1.00 2.31 H new ATOM 0 HB2 LEU A 64 -8.818 22.208 -5.064 1.00 2.58 H new ATOM 0 HB3 LEU A 64 -10.521 21.795 -5.062 1.00 2.58 H new ATOM 0 HG LEU A 64 -9.558 22.415 -7.774 1.00 2.91 H new ATOM 0 HD11 LEU A 64 -8.175 20.374 -8.025 1.00 3.23 H new ATOM 0 HD12 LEU A 64 -7.440 21.507 -6.866 1.00 3.23 H new ATOM 0 HD13 LEU A 64 -8.308 20.069 -6.276 1.00 3.23 H new ATOM 0 HD21 LEU A 64 -10.655 20.235 -8.233 1.00 3.30 H new ATOM 0 HD22 LEU A 64 -10.789 19.936 -6.484 1.00 3.30 H new ATOM 0 HD23 LEU A 64 -11.694 21.274 -7.230 1.00 3.30 H new ATOM 972 N VAL A 65 -10.699 24.466 -3.555 1.00 2.11 N ATOM 973 CA VAL A 65 -11.650 24.959 -2.505 1.00 2.04 C ATOM 974 C VAL A 65 -12.082 26.370 -2.865 1.00 1.82 C ATOM 975 O VAL A 65 -13.238 26.719 -2.789 1.00 1.79 O ATOM 976 CB VAL A 65 -10.891 25.000 -1.177 1.00 2.11 C ATOM 977 CG1 VAL A 65 -11.896 25.146 -0.033 1.00 2.25 C ATOM 978 CG2 VAL A 65 -10.084 23.719 -0.964 1.00 2.35 C ATOM 0 H VAL A 65 -9.737 24.335 -3.242 1.00 2.11 H new ATOM 0 HA VAL A 65 -12.524 24.311 -2.434 1.00 2.04 H new ATOM 0 HB VAL A 65 -10.204 25.846 -1.198 1.00 2.11 H new ATOM 0 HG11 VAL A 65 -11.363 25.176 0.918 1.00 2.25 H new ATOM 0 HG12 VAL A 65 -12.462 26.069 -0.161 1.00 2.25 H new ATOM 0 HG13 VAL A 65 -12.580 24.297 -0.039 1.00 2.25 H new ATOM 0 HG21 VAL A 65 -9.555 23.776 -0.013 1.00 2.35 H new ATOM 0 HG22 VAL A 65 -10.758 22.862 -0.954 1.00 2.35 H new ATOM 0 HG23 VAL A 65 -9.363 23.604 -1.774 1.00 2.35 H new ATOM 988 N GLN A 66 -11.146 27.182 -3.268 1.00 1.73 N ATOM 989 CA GLN A 66 -11.479 28.579 -3.656 1.00 1.61 C ATOM 990 C GLN A 66 -12.549 28.565 -4.749 1.00 1.57 C ATOM 991 O GLN A 66 -13.511 29.303 -4.697 1.00 1.52 O ATOM 992 CB GLN A 66 -10.165 29.169 -4.176 1.00 1.65 C ATOM 993 CG GLN A 66 -10.182 30.690 -4.002 1.00 1.80 C ATOM 994 CD GLN A 66 -9.461 31.350 -5.174 1.00 2.04 C ATOM 995 OE1 GLN A 66 -10.078 31.729 -6.151 1.00 2.12 O ATOM 996 NE2 GLN A 66 -8.172 31.506 -5.124 1.00 2.43 N ATOM 0 H GLN A 66 -10.159 26.936 -3.346 1.00 1.73 H new ATOM 0 HA GLN A 66 -11.878 29.166 -2.829 1.00 1.61 H new ATOM 0 HB2 GLN A 66 -9.322 28.740 -3.634 1.00 1.65 H new ATOM 0 HB3 GLN A 66 -10.031 28.914 -5.227 1.00 1.65 H new ATOM 0 HG2 GLN A 66 -11.210 31.048 -3.947 1.00 1.80 H new ATOM 0 HG3 GLN A 66 -9.698 30.964 -3.064 1.00 1.80 H new ATOM 0 HE21 GLN A 66 -7.651 31.189 -4.306 1.00 2.43 H new ATOM 0 HE22 GLN A 66 -7.681 31.945 -5.903 1.00 2.43 H new ATOM 1005 N TYR A 67 -12.391 27.718 -5.727 1.00 1.67 N ATOM 1006 CA TYR A 67 -13.398 27.633 -6.832 1.00 1.68 C ATOM 1007 C TYR A 67 -14.672 26.930 -6.360 1.00 1.69 C ATOM 1008 O TYR A 67 -15.770 27.418 -6.558 1.00 1.62 O ATOM 1009 CB TYR A 67 -12.713 26.830 -7.941 1.00 1.88 C ATOM 1010 CG TYR A 67 -11.992 27.779 -8.867 1.00 1.95 C ATOM 1011 CD1 TYR A 67 -12.664 28.334 -9.962 1.00 2.09 C ATOM 1012 CD2 TYR A 67 -10.654 28.108 -8.627 1.00 2.01 C ATOM 1013 CE1 TYR A 67 -11.997 29.220 -10.815 1.00 2.27 C ATOM 1014 CE2 TYR A 67 -9.987 28.993 -9.483 1.00 2.18 C ATOM 1015 CZ TYR A 67 -10.660 29.547 -10.576 1.00 2.30 C ATOM 1016 OH TYR A 67 -10.004 30.421 -11.415 1.00 2.56 O ATOM 0 H TYR A 67 -11.604 27.075 -5.813 1.00 1.67 H new ATOM 0 HA TYR A 67 -13.704 28.621 -7.175 1.00 1.68 H new ATOM 0 HB2 TYR A 67 -12.009 26.119 -7.510 1.00 1.88 H new ATOM 0 HB3 TYR A 67 -13.451 26.251 -8.496 1.00 1.88 H new ATOM 0 HD1 TYR A 67 -13.697 28.079 -10.148 1.00 2.09 H new ATOM 0 HD2 TYR A 67 -10.136 27.680 -7.782 1.00 2.01 H new ATOM 0 HE1 TYR A 67 -12.516 29.651 -11.658 1.00 2.27 H new ATOM 0 HE2 TYR A 67 -8.954 29.247 -9.299 1.00 2.18 H new ATOM 0 HH TYR A 67 -9.082 30.541 -11.106 1.00 2.56 H new ATOM 1026 N SER A 68 -14.537 25.794 -5.737 1.00 1.86 N ATOM 1027 CA SER A 68 -15.746 25.053 -5.250 1.00 1.98 C ATOM 1028 C SER A 68 -16.496 25.877 -4.193 1.00 1.88 C ATOM 1029 O SER A 68 -17.703 25.832 -4.123 1.00 1.93 O ATOM 1030 CB SER A 68 -15.224 23.738 -4.664 1.00 2.22 C ATOM 1031 OG SER A 68 -15.227 23.810 -3.245 1.00 2.41 O ATOM 0 H SER A 68 -13.644 25.342 -5.541 1.00 1.86 H new ATOM 0 HA SER A 68 -16.457 24.867 -6.055 1.00 1.98 H new ATOM 0 HB2 SER A 68 -15.847 22.908 -4.997 1.00 2.22 H new ATOM 0 HB3 SER A 68 -14.214 23.543 -5.025 1.00 2.22 H new ATOM 0 HG SER A 68 -14.739 23.044 -2.878 1.00 2.41 H new ATOM 1037 N ALA A 69 -15.798 26.636 -3.378 1.00 1.79 N ATOM 1038 CA ALA A 69 -16.498 27.465 -2.347 1.00 1.79 C ATOM 1039 C ALA A 69 -17.062 28.737 -2.989 1.00 1.64 C ATOM 1040 O ALA A 69 -18.186 29.129 -2.732 1.00 1.69 O ATOM 1041 CB ALA A 69 -15.432 27.809 -1.302 1.00 1.83 C ATOM 0 H ALA A 69 -14.781 26.716 -3.383 1.00 1.79 H new ATOM 0 HA ALA A 69 -17.338 26.936 -1.897 1.00 1.79 H new ATOM 0 HB1 ALA A 69 -15.877 28.417 -0.515 1.00 1.83 H new ATOM 0 HB2 ALA A 69 -15.036 26.890 -0.870 1.00 1.83 H new ATOM 0 HB3 ALA A 69 -14.623 28.365 -1.776 1.00 1.83 H new ATOM 1047 N LYS A 70 -16.291 29.378 -3.833 1.00 1.52 N ATOM 1048 CA LYS A 70 -16.783 30.626 -4.500 1.00 1.45 C ATOM 1049 C LYS A 70 -17.903 30.306 -5.494 1.00 1.42 C ATOM 1050 O LYS A 70 -18.793 31.105 -5.694 1.00 1.42 O ATOM 1051 CB LYS A 70 -15.566 31.247 -5.209 1.00 1.46 C ATOM 1052 CG LYS A 70 -15.453 30.724 -6.651 1.00 1.49 C ATOM 1053 CD LYS A 70 -14.349 31.486 -7.392 1.00 1.64 C ATOM 1054 CE LYS A 70 -13.005 31.221 -6.716 1.00 1.69 C ATOM 1055 NZ LYS A 70 -12.004 31.958 -7.535 1.00 2.06 N ATOM 0 H LYS A 70 -15.346 29.093 -4.089 1.00 1.52 H new ATOM 0 HA LYS A 70 -17.206 31.322 -3.776 1.00 1.45 H new ATOM 0 HB2 LYS A 70 -15.658 32.333 -5.217 1.00 1.46 H new ATOM 0 HB3 LYS A 70 -14.656 31.008 -4.658 1.00 1.46 H new ATOM 0 HG2 LYS A 70 -15.230 29.657 -6.645 1.00 1.49 H new ATOM 0 HG3 LYS A 70 -16.404 30.848 -7.169 1.00 1.49 H new ATOM 0 HD2 LYS A 70 -14.312 31.171 -8.435 1.00 1.64 H new ATOM 0 HD3 LYS A 70 -14.565 32.554 -7.389 1.00 1.64 H new ATOM 0 HE2 LYS A 70 -13.007 31.574 -5.685 1.00 1.69 H new ATOM 0 HE3 LYS A 70 -12.782 30.154 -6.688 1.00 1.69 H new ATOM 0 HZ1 LYS A 70 -11.077 31.921 -7.066 1.00 2.06 H new ATOM 0 HZ2 LYS A 70 -11.934 31.519 -8.475 1.00 2.06 H new ATOM 0 HZ3 LYS A 70 -12.301 32.950 -7.637 1.00 2.06 H new ATOM 1069 N GLY A 71 -17.870 29.149 -6.110 1.00 1.48 N ATOM 1070 CA GLY A 71 -18.946 28.777 -7.087 1.00 1.52 C ATOM 1071 C GLY A 71 -20.314 29.070 -6.466 1.00 1.53 C ATOM 1072 O GLY A 71 -21.031 29.931 -6.935 1.00 1.46 O ATOM 0 H GLY A 71 -17.144 28.444 -5.979 1.00 1.48 H new ATOM 0 HA2 GLY A 71 -18.825 29.341 -8.012 1.00 1.52 H new ATOM 0 HA3 GLY A 71 -18.870 27.721 -7.346 1.00 1.52 H new ATOM 1076 N PRO A 72 -20.616 28.367 -5.399 1.00 1.68 N ATOM 1077 CA PRO A 72 -21.895 28.585 -4.683 1.00 1.82 C ATOM 1078 C PRO A 72 -21.880 29.964 -4.006 1.00 1.77 C ATOM 1079 O PRO A 72 -22.861 30.678 -4.043 1.00 1.84 O ATOM 1080 CB PRO A 72 -21.939 27.449 -3.661 1.00 2.08 C ATOM 1081 CG PRO A 72 -20.510 27.068 -3.457 1.00 2.03 C ATOM 1082 CD PRO A 72 -19.810 27.318 -4.765 1.00 1.83 C ATOM 0 HA PRO A 72 -22.770 28.577 -5.332 1.00 1.82 H new ATOM 0 HB2 PRO A 72 -22.400 27.773 -2.728 1.00 2.08 H new ATOM 0 HB3 PRO A 72 -22.525 26.607 -4.030 1.00 2.08 H new ATOM 0 HG2 PRO A 72 -20.061 27.658 -2.658 1.00 2.03 H new ATOM 0 HG3 PRO A 72 -20.425 26.021 -3.166 1.00 2.03 H new ATOM 0 HD2 PRO A 72 -18.781 27.642 -4.612 1.00 1.83 H new ATOM 0 HD3 PRO A 72 -19.773 26.417 -5.377 1.00 1.83 H new ATOM 1090 N CYS A 73 -20.774 30.361 -3.412 1.00 1.72 N ATOM 1091 CA CYS A 73 -20.728 31.716 -2.771 1.00 1.77 C ATOM 1092 C CYS A 73 -21.101 32.779 -3.810 1.00 1.68 C ATOM 1093 O CYS A 73 -21.882 33.674 -3.549 1.00 1.83 O ATOM 1094 CB CYS A 73 -19.289 31.904 -2.284 1.00 1.72 C ATOM 1095 SG CYS A 73 -19.269 33.094 -0.920 1.00 2.20 S ATOM 0 H CYS A 73 -19.916 29.814 -3.345 1.00 1.72 H new ATOM 0 HA CYS A 73 -21.429 31.808 -1.942 1.00 1.77 H new ATOM 0 HB2 CYS A 73 -18.877 30.950 -1.955 1.00 1.72 H new ATOM 0 HB3 CYS A 73 -18.660 32.259 -3.100 1.00 1.72 H new ATOM 0 HG CYS A 73 -18.049 33.255 -0.502 1.00 2.20 H new ATOM 1101 N VAL A 74 -20.569 32.662 -4.997 1.00 1.50 N ATOM 1102 CA VAL A 74 -20.903 33.636 -6.080 1.00 1.47 C ATOM 1103 C VAL A 74 -22.312 33.350 -6.602 1.00 1.47 C ATOM 1104 O VAL A 74 -23.112 34.252 -6.769 1.00 1.55 O ATOM 1105 CB VAL A 74 -19.849 33.415 -7.173 1.00 1.39 C ATOM 1106 CG1 VAL A 74 -20.290 34.098 -8.470 1.00 1.44 C ATOM 1107 CG2 VAL A 74 -18.515 34.015 -6.718 1.00 1.52 C ATOM 0 H VAL A 74 -19.913 31.929 -5.266 1.00 1.50 H new ATOM 0 HA VAL A 74 -20.892 34.670 -5.734 1.00 1.47 H new ATOM 0 HB VAL A 74 -19.736 32.345 -7.350 1.00 1.39 H new ATOM 0 HG11 VAL A 74 -19.536 33.936 -9.241 1.00 1.44 H new ATOM 0 HG12 VAL A 74 -21.240 33.677 -8.798 1.00 1.44 H new ATOM 0 HG13 VAL A 74 -20.408 35.168 -8.296 1.00 1.44 H new ATOM 0 HG21 VAL A 74 -17.763 33.860 -7.492 1.00 1.52 H new ATOM 0 HG22 VAL A 74 -18.638 35.083 -6.541 1.00 1.52 H new ATOM 0 HG23 VAL A 74 -18.193 33.529 -5.797 1.00 1.52 H new ATOM 1117 N GLU A 75 -22.626 32.101 -6.836 1.00 1.45 N ATOM 1118 CA GLU A 75 -23.999 31.744 -7.320 1.00 1.50 C ATOM 1119 C GLU A 75 -25.040 32.338 -6.365 1.00 1.69 C ATOM 1120 O GLU A 75 -26.032 32.910 -6.776 1.00 1.76 O ATOM 1121 CB GLU A 75 -24.049 30.211 -7.298 1.00 1.60 C ATOM 1122 CG GLU A 75 -25.163 29.713 -8.226 1.00 1.69 C ATOM 1123 CD GLU A 75 -26.295 29.104 -7.402 1.00 2.03 C ATOM 1124 OE1 GLU A 75 -26.063 28.099 -6.746 1.00 2.38 O ATOM 1125 OE2 GLU A 75 -27.385 29.653 -7.435 1.00 2.10 O ATOM 0 H GLU A 75 -21.992 31.311 -6.713 1.00 1.45 H new ATOM 0 HA GLU A 75 -24.211 32.132 -8.316 1.00 1.50 H new ATOM 0 HB2 GLU A 75 -23.090 29.802 -7.615 1.00 1.60 H new ATOM 0 HB3 GLU A 75 -24.225 29.859 -6.282 1.00 1.60 H new ATOM 0 HG2 GLU A 75 -25.543 30.539 -8.827 1.00 1.69 H new ATOM 0 HG3 GLU A 75 -24.766 28.971 -8.919 1.00 1.69 H new ATOM 1132 N ARG A 76 -24.791 32.224 -5.089 1.00 1.84 N ATOM 1133 CA ARG A 76 -25.723 32.793 -4.071 1.00 2.12 C ATOM 1134 C ARG A 76 -25.632 34.316 -4.096 1.00 2.17 C ATOM 1135 O ARG A 76 -26.630 35.008 -4.080 1.00 2.34 O ATOM 1136 CB ARG A 76 -25.231 32.250 -2.725 1.00 2.31 C ATOM 1137 CG ARG A 76 -26.045 31.013 -2.344 1.00 2.56 C ATOM 1138 CD ARG A 76 -25.737 29.876 -3.320 1.00 2.39 C ATOM 1139 NE ARG A 76 -26.755 29.997 -4.405 1.00 2.40 N ATOM 1140 CZ ARG A 76 -27.870 29.353 -4.334 1.00 2.93 C ATOM 1141 NH1 ARG A 76 -28.842 29.818 -3.626 1.00 3.37 N ATOM 1142 NH2 ARG A 76 -28.012 28.254 -4.991 1.00 3.24 N ATOM 0 H ARG A 76 -23.972 31.755 -4.703 1.00 1.84 H new ATOM 0 HA ARG A 76 -26.762 32.521 -4.257 1.00 2.12 H new ATOM 0 HB2 ARG A 76 -24.173 31.996 -2.788 1.00 2.31 H new ATOM 0 HB3 ARG A 76 -25.330 33.015 -1.955 1.00 2.31 H new ATOM 0 HG2 ARG A 76 -25.805 30.707 -1.326 1.00 2.56 H new ATOM 0 HG3 ARG A 76 -27.110 31.245 -2.365 1.00 2.56 H new ATOM 0 HD2 ARG A 76 -24.726 29.963 -3.718 1.00 2.39 H new ATOM 0 HD3 ARG A 76 -25.802 28.906 -2.827 1.00 2.39 H new ATOM 0 HE ARG A 76 -26.567 30.595 -5.210 1.00 2.40 H new ATOM 0 HH11 ARG A 76 -28.730 30.697 -3.121 1.00 3.37 H new ATOM 0 HH12 ARG A 76 -29.723 29.307 -3.571 1.00 3.37 H new ATOM 0 HH21 ARG A 76 -27.245 27.899 -5.562 1.00 3.24 H new ATOM 0 HH22 ARG A 76 -28.891 27.739 -4.940 1.00 3.24 H new ATOM 1156 N LYS A 77 -24.434 34.837 -4.147 1.00 2.07 N ATOM 1157 CA LYS A 77 -24.260 36.322 -4.191 1.00 2.20 C ATOM 1158 C LYS A 77 -24.996 36.906 -5.401 1.00 2.17 C ATOM 1159 O LYS A 77 -25.623 37.950 -5.310 1.00 2.41 O ATOM 1160 CB LYS A 77 -22.751 36.553 -4.310 1.00 2.10 C ATOM 1161 CG LYS A 77 -22.203 37.058 -2.973 1.00 2.39 C ATOM 1162 CD LYS A 77 -22.212 38.591 -2.964 1.00 2.65 C ATOM 1163 CE LYS A 77 -23.543 39.100 -2.395 1.00 2.92 C ATOM 1164 NZ LYS A 77 -24.261 39.714 -3.557 1.00 2.98 N ATOM 0 H LYS A 77 -23.567 34.299 -4.160 1.00 2.07 H new ATOM 0 HA LYS A 77 -24.670 36.808 -3.306 1.00 2.20 H new ATOM 0 HB2 LYS A 77 -22.252 35.626 -4.592 1.00 2.10 H new ATOM 0 HB3 LYS A 77 -22.545 37.279 -5.097 1.00 2.10 H new ATOM 0 HG2 LYS A 77 -22.809 36.675 -2.152 1.00 2.39 H new ATOM 0 HG3 LYS A 77 -21.189 36.689 -2.820 1.00 2.39 H new ATOM 0 HD2 LYS A 77 -21.383 38.965 -2.364 1.00 2.65 H new ATOM 0 HD3 LYS A 77 -22.070 38.971 -3.976 1.00 2.65 H new ATOM 0 HE2 LYS A 77 -24.122 38.285 -1.961 1.00 2.92 H new ATOM 0 HE3 LYS A 77 -23.378 39.831 -1.604 1.00 2.92 H new ATOM 0 HZ1 LYS A 77 -24.884 40.474 -3.218 1.00 2.98 H new ATOM 0 HZ2 LYS A 77 -23.568 40.107 -4.225 1.00 2.98 H new ATOM 0 HZ3 LYS A 77 -24.830 38.988 -4.036 1.00 2.98 H new ATOM 1178 N ALA A 78 -24.927 36.229 -6.520 1.00 1.93 N ATOM 1179 CA ALA A 78 -25.622 36.706 -7.758 1.00 1.92 C ATOM 1180 C ALA A 78 -27.131 36.466 -7.647 1.00 2.04 C ATOM 1181 O ALA A 78 -27.929 37.306 -8.019 1.00 2.21 O ATOM 1182 CB ALA A 78 -25.026 35.876 -8.900 1.00 1.69 C ATOM 0 H ALA A 78 -24.413 35.355 -6.631 1.00 1.93 H new ATOM 0 HA ALA A 78 -25.483 37.775 -7.920 1.00 1.92 H new ATOM 0 HB1 ALA A 78 -25.488 36.170 -9.843 1.00 1.69 H new ATOM 0 HB2 ALA A 78 -23.951 36.049 -8.953 1.00 1.69 H new ATOM 0 HB3 ALA A 78 -25.215 34.818 -8.718 1.00 1.69 H new ATOM 1188 N LYS A 79 -27.521 35.331 -7.125 1.00 2.02 N ATOM 1189 CA LYS A 79 -28.981 35.027 -6.961 1.00 2.22 C ATOM 1190 C LYS A 79 -29.592 36.002 -5.944 1.00 2.52 C ATOM 1191 O LYS A 79 -30.662 36.541 -6.145 1.00 2.68 O ATOM 1192 CB LYS A 79 -29.042 33.592 -6.420 1.00 2.25 C ATOM 1193 CG LYS A 79 -29.321 32.604 -7.557 1.00 2.12 C ATOM 1194 CD LYS A 79 -30.149 31.432 -7.013 1.00 2.39 C ATOM 1195 CE LYS A 79 -30.507 30.473 -8.153 1.00 2.32 C ATOM 1196 NZ LYS A 79 -29.774 29.207 -7.847 1.00 2.42 N ATOM 0 H LYS A 79 -26.891 34.597 -6.803 1.00 2.02 H new ATOM 0 HA LYS A 79 -29.534 35.128 -7.895 1.00 2.22 H new ATOM 0 HB2 LYS A 79 -28.100 33.340 -5.933 1.00 2.25 H new ATOM 0 HB3 LYS A 79 -29.822 33.515 -5.663 1.00 2.25 H new ATOM 0 HG2 LYS A 79 -29.859 33.102 -8.364 1.00 2.12 H new ATOM 0 HG3 LYS A 79 -28.383 32.239 -7.976 1.00 2.12 H new ATOM 0 HD2 LYS A 79 -29.585 30.903 -6.245 1.00 2.39 H new ATOM 0 HD3 LYS A 79 -31.058 31.806 -6.541 1.00 2.39 H new ATOM 0 HE2 LYS A 79 -31.583 30.303 -8.201 1.00 2.32 H new ATOM 0 HE3 LYS A 79 -30.205 30.879 -9.118 1.00 2.32 H new ATOM 0 HZ1 LYS A 79 -30.038 28.477 -8.539 1.00 2.42 H new ATOM 0 HZ2 LYS A 79 -28.749 29.378 -7.898 1.00 2.42 H new ATOM 0 HZ3 LYS A 79 -30.024 28.884 -6.891 1.00 2.42 H new ATOM 1210 N LEU A 80 -28.900 36.230 -4.854 1.00 2.62 N ATOM 1211 CA LEU A 80 -29.401 37.171 -3.810 1.00 2.95 C ATOM 1212 C LEU A 80 -29.417 38.599 -4.358 1.00 3.02 C ATOM 1213 O LEU A 80 -30.351 39.345 -4.149 1.00 3.27 O ATOM 1214 CB LEU A 80 -28.400 37.041 -2.657 1.00 3.00 C ATOM 1215 CG LEU A 80 -28.839 37.912 -1.477 1.00 3.38 C ATOM 1216 CD1 LEU A 80 -29.359 37.015 -0.355 1.00 3.65 C ATOM 1217 CD2 LEU A 80 -27.643 38.721 -0.965 1.00 3.48 C ATOM 0 H LEU A 80 -28.000 35.798 -4.643 1.00 2.62 H new ATOM 0 HA LEU A 80 -30.419 36.944 -3.492 1.00 2.95 H new ATOM 0 HB2 LEU A 80 -28.328 36.000 -2.343 1.00 3.00 H new ATOM 0 HB3 LEU A 80 -27.407 37.342 -2.992 1.00 3.00 H new ATOM 0 HG LEU A 80 -29.627 38.593 -1.800 1.00 3.38 H new ATOM 0 HD11 LEU A 80 -29.673 37.631 0.488 1.00 3.65 H new ATOM 0 HD12 LEU A 80 -30.208 36.435 -0.717 1.00 3.65 H new ATOM 0 HD13 LEU A 80 -28.568 36.338 -0.034 1.00 3.65 H new ATOM 0 HD21 LEU A 80 -27.956 39.341 -0.125 1.00 3.48 H new ATOM 0 HD22 LEU A 80 -26.856 38.041 -0.640 1.00 3.48 H new ATOM 0 HD23 LEU A 80 -27.265 39.358 -1.765 1.00 3.48 H new ATOM 1229 N MET A 81 -28.387 38.971 -5.066 1.00 2.86 N ATOM 1230 CA MET A 81 -28.324 40.345 -5.653 1.00 3.00 C ATOM 1231 C MET A 81 -29.360 40.486 -6.779 1.00 2.97 C ATOM 1232 O MET A 81 -30.075 41.466 -6.864 1.00 3.21 O ATOM 1233 CB MET A 81 -26.908 40.463 -6.219 1.00 2.87 C ATOM 1234 CG MET A 81 -26.606 41.924 -6.536 1.00 3.23 C ATOM 1235 SD MET A 81 -24.858 42.264 -6.227 1.00 3.73 S ATOM 1236 CE MET A 81 -24.904 44.001 -6.719 1.00 4.34 C ATOM 0 H MET A 81 -27.580 38.381 -5.266 1.00 2.86 H new ATOM 0 HA MET A 81 -28.541 41.121 -4.918 1.00 3.00 H new ATOM 0 HB2 MET A 81 -26.184 40.079 -5.500 1.00 2.87 H new ATOM 0 HB3 MET A 81 -26.814 39.857 -7.120 1.00 2.87 H new ATOM 0 HG2 MET A 81 -26.850 42.139 -7.576 1.00 3.23 H new ATOM 0 HG3 MET A 81 -27.228 42.576 -5.922 1.00 3.23 H new ATOM 0 HE1 MET A 81 -23.911 44.436 -6.610 1.00 4.34 H new ATOM 0 HE2 MET A 81 -25.222 44.076 -7.759 1.00 4.34 H new ATOM 0 HE3 MET A 81 -25.608 44.540 -6.085 1.00 4.34 H new ATOM 1246 N THR A 82 -29.440 39.502 -7.636 1.00 2.71 N ATOM 1247 CA THR A 82 -30.422 39.538 -8.766 1.00 2.70 C ATOM 1248 C THR A 82 -31.349 38.321 -8.673 1.00 2.63 C ATOM 1249 O THR A 82 -30.951 37.222 -9.014 1.00 2.46 O ATOM 1250 CB THR A 82 -29.595 39.468 -10.068 1.00 2.55 C ATOM 1251 OG1 THR A 82 -28.237 39.148 -9.785 1.00 2.26 O ATOM 1252 CG2 THR A 82 -29.657 40.813 -10.792 1.00 2.98 C ATOM 0 H THR A 82 -28.860 38.663 -7.602 1.00 2.71 H new ATOM 0 HA THR A 82 -31.034 40.439 -8.737 1.00 2.70 H new ATOM 0 HB THR A 82 -30.016 38.687 -10.702 1.00 2.55 H new ATOM 0 HG1 THR A 82 -28.192 38.276 -9.341 1.00 2.26 H new ATOM 0 HG21 THR A 82 -29.072 40.759 -11.710 1.00 2.98 H new ATOM 0 HG22 THR A 82 -30.693 41.048 -11.035 1.00 2.98 H new ATOM 0 HG23 THR A 82 -29.250 41.592 -10.148 1.00 2.98 H new ATOM 1260 N PRO A 83 -32.560 38.548 -8.210 1.00 2.85 N ATOM 1261 CA PRO A 83 -33.545 37.436 -8.070 1.00 2.91 C ATOM 1262 C PRO A 83 -34.098 36.960 -9.423 1.00 2.80 C ATOM 1263 O PRO A 83 -35.095 36.264 -9.470 1.00 2.93 O ATOM 1264 CB PRO A 83 -34.664 38.050 -7.246 1.00 3.25 C ATOM 1265 CG PRO A 83 -34.573 39.520 -7.502 1.00 3.34 C ATOM 1266 CD PRO A 83 -33.124 39.835 -7.777 1.00 3.13 C ATOM 0 HA PRO A 83 -33.088 36.556 -7.618 1.00 2.91 H new ATOM 0 HB2 PRO A 83 -35.636 37.657 -7.545 1.00 3.25 H new ATOM 0 HB3 PRO A 83 -34.542 37.826 -6.186 1.00 3.25 H new ATOM 0 HG2 PRO A 83 -35.196 39.802 -8.351 1.00 3.34 H new ATOM 0 HG3 PRO A 83 -34.933 40.084 -6.641 1.00 3.34 H new ATOM 0 HD2 PRO A 83 -33.020 40.597 -8.549 1.00 3.13 H new ATOM 0 HD3 PRO A 83 -32.621 40.213 -6.887 1.00 3.13 H new ATOM 1274 N ASN A 84 -33.473 37.301 -10.520 1.00 2.62 N ATOM 1275 CA ASN A 84 -33.983 36.834 -11.847 1.00 2.59 C ATOM 1276 C ASN A 84 -33.677 35.338 -12.032 1.00 2.47 C ATOM 1277 O ASN A 84 -33.140 34.923 -13.042 1.00 2.39 O ATOM 1278 CB ASN A 84 -33.232 37.677 -12.882 1.00 2.53 C ATOM 1279 CG ASN A 84 -33.714 39.123 -12.811 1.00 2.77 C ATOM 1280 OD1 ASN A 84 -33.153 39.927 -12.099 1.00 3.00 O ATOM 1281 ND2 ASN A 84 -34.742 39.487 -13.518 1.00 3.01 N ATOM 0 H ASN A 84 -32.634 37.880 -10.556 1.00 2.62 H new ATOM 0 HA ASN A 84 -35.063 36.949 -11.942 1.00 2.59 H new ATOM 0 HB2 ASN A 84 -32.159 37.631 -12.694 1.00 2.53 H new ATOM 0 HB3 ASN A 84 -33.398 37.276 -13.882 1.00 2.53 H new ATOM 0 HD21 ASN A 84 -35.077 40.450 -13.474 1.00 3.01 H new ATOM 0 HD22 ASN A 84 -35.214 38.810 -14.117 1.00 3.01 H new ATOM 1288 N GLY A 85 -34.017 34.530 -11.060 1.00 2.55 N ATOM 1289 CA GLY A 85 -33.749 33.063 -11.168 1.00 2.53 C ATOM 1290 C GLY A 85 -34.605 32.304 -10.150 1.00 2.79 C ATOM 1291 O GLY A 85 -35.087 32.879 -9.191 1.00 2.96 O ATOM 0 H GLY A 85 -34.470 34.823 -10.194 1.00 2.55 H new ATOM 0 HA2 GLY A 85 -33.974 32.716 -12.177 1.00 2.53 H new ATOM 0 HA3 GLY A 85 -32.692 32.863 -10.990 1.00 2.53 H new ATOM 1295 N PRO A 86 -34.775 31.028 -10.393 1.00 2.88 N ATOM 1296 CA PRO A 86 -35.593 30.184 -9.481 1.00 3.20 C ATOM 1297 C PRO A 86 -34.863 29.934 -8.153 1.00 3.20 C ATOM 1298 O PRO A 86 -33.841 30.539 -7.871 1.00 2.98 O ATOM 1299 CB PRO A 86 -35.777 28.887 -10.267 1.00 3.35 C ATOM 1300 CG PRO A 86 -34.610 28.834 -11.203 1.00 3.09 C ATOM 1301 CD PRO A 86 -34.232 30.257 -11.520 1.00 2.80 C ATOM 0 HA PRO A 86 -36.540 30.649 -9.206 1.00 3.20 H new ATOM 0 HB2 PRO A 86 -35.791 28.022 -9.604 1.00 3.35 H new ATOM 0 HB3 PRO A 86 -36.721 28.886 -10.812 1.00 3.35 H new ATOM 0 HG2 PRO A 86 -33.773 28.306 -10.746 1.00 3.09 H new ATOM 0 HG3 PRO A 86 -34.870 28.293 -12.113 1.00 3.09 H new ATOM 0 HD2 PRO A 86 -33.151 30.375 -11.600 1.00 2.80 H new ATOM 0 HD3 PRO A 86 -34.659 30.582 -12.469 1.00 2.80 H new ATOM 1309 N GLU A 87 -35.412 29.073 -7.321 1.00 3.50 N ATOM 1310 CA GLU A 87 -34.809 28.780 -5.978 1.00 3.60 C ATOM 1311 C GLU A 87 -35.047 29.980 -5.065 1.00 3.68 C ATOM 1312 O GLU A 87 -35.697 29.886 -4.041 1.00 4.00 O ATOM 1313 CB GLU A 87 -33.316 28.548 -6.225 1.00 3.30 C ATOM 1314 CG GLU A 87 -32.738 27.684 -5.105 1.00 3.52 C ATOM 1315 CD GLU A 87 -31.277 28.049 -4.896 1.00 3.38 C ATOM 1316 OE1 GLU A 87 -30.511 27.908 -5.835 1.00 3.22 O ATOM 1317 OE2 GLU A 87 -30.940 28.477 -3.806 1.00 3.53 O ATOM 0 H GLU A 87 -36.267 28.554 -7.521 1.00 3.50 H new ATOM 0 HA GLU A 87 -35.248 27.907 -5.496 1.00 3.60 H new ATOM 0 HB2 GLU A 87 -33.168 28.059 -7.188 1.00 3.30 H new ATOM 0 HB3 GLU A 87 -32.792 29.503 -6.269 1.00 3.30 H new ATOM 0 HG2 GLU A 87 -33.299 27.839 -4.184 1.00 3.52 H new ATOM 0 HG3 GLU A 87 -32.829 26.628 -5.360 1.00 3.52 H new ATOM 1324 N VAL A 88 -34.563 31.114 -5.471 1.00 3.44 N ATOM 1325 CA VAL A 88 -34.778 32.364 -4.690 1.00 3.59 C ATOM 1326 C VAL A 88 -36.126 32.973 -5.096 1.00 3.81 C ATOM 1327 O VAL A 88 -36.835 33.512 -4.270 1.00 4.11 O ATOM 1328 CB VAL A 88 -33.612 33.284 -5.077 1.00 3.29 C ATOM 1329 CG1 VAL A 88 -33.785 34.652 -4.417 1.00 3.53 C ATOM 1330 CG2 VAL A 88 -32.297 32.662 -4.602 1.00 3.13 C ATOM 0 H VAL A 88 -34.018 31.233 -6.325 1.00 3.44 H new ATOM 0 HA VAL A 88 -34.804 32.201 -3.613 1.00 3.59 H new ATOM 0 HB VAL A 88 -33.597 33.405 -6.160 1.00 3.29 H new ATOM 0 HG11 VAL A 88 -32.953 35.299 -4.697 1.00 3.53 H new ATOM 0 HG12 VAL A 88 -34.721 35.101 -4.749 1.00 3.53 H new ATOM 0 HG13 VAL A 88 -33.804 34.534 -3.334 1.00 3.53 H new ATOM 0 HG21 VAL A 88 -31.467 33.313 -4.875 1.00 3.13 H new ATOM 0 HG22 VAL A 88 -32.322 32.541 -3.519 1.00 3.13 H new ATOM 0 HG23 VAL A 88 -32.164 31.688 -5.073 1.00 3.13 H new ATOM 1340 N HIS A 89 -36.489 32.864 -6.367 1.00 3.72 N ATOM 1341 CA HIS A 89 -37.801 33.406 -6.864 1.00 3.97 C ATOM 1342 C HIS A 89 -37.872 34.937 -6.736 1.00 4.04 C ATOM 1343 O HIS A 89 -38.040 35.633 -7.718 1.00 4.02 O ATOM 1344 CB HIS A 89 -38.878 32.725 -6.006 1.00 4.34 C ATOM 1345 CG HIS A 89 -38.890 31.251 -6.303 1.00 4.33 C ATOM 1346 ND1 HIS A 89 -38.281 30.324 -5.473 1.00 4.36 N ATOM 1347 CD2 HIS A 89 -39.425 30.531 -7.339 1.00 4.42 C ATOM 1348 CE1 HIS A 89 -38.462 29.110 -6.022 1.00 4.42 C ATOM 1349 NE2 HIS A 89 -39.153 29.179 -7.161 1.00 4.46 N ATOM 0 H HIS A 89 -35.920 32.416 -7.085 1.00 3.72 H new ATOM 0 HA HIS A 89 -37.937 33.197 -7.925 1.00 3.97 H new ATOM 0 HB2 HIS A 89 -38.677 32.893 -4.948 1.00 4.34 H new ATOM 0 HB3 HIS A 89 -39.856 33.158 -6.217 1.00 4.34 H new ATOM 0 HD1 HIS A 89 -37.786 30.526 -4.604 1.00 4.36 H new ATOM 0 HD2 HIS A 89 -39.975 30.950 -8.169 1.00 4.42 H new ATOM 0 HE1 HIS A 89 -38.093 28.190 -5.593 1.00 4.42 H new ATOM 1357 N GLY A 90 -37.751 35.465 -5.547 1.00 4.21 N ATOM 1358 CA GLY A 90 -37.817 36.946 -5.371 1.00 4.36 C ATOM 1359 C GLY A 90 -38.003 37.283 -3.894 1.00 4.56 C ATOM 1360 O GLY A 90 -39.140 37.417 -3.479 1.00 4.94 O ATOM 1361 OXT GLY A 90 -37.005 37.403 -3.205 1.00 4.62 O ATOM 0 H GLY A 90 -37.609 34.934 -4.688 1.00 4.21 H new ATOM 0 HA2 GLY A 90 -36.904 37.407 -5.746 1.00 4.36 H new ATOM 0 HA3 GLY A 90 -38.643 37.354 -5.953 1.00 4.36 H new TER 1365 GLY A 90