USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 700 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 76 LYS NZ :NH3+ -153:sc= -0.0124 (180deg=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0054 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 77:sc= 0.147 USER MOD Single : A 13 THR OG1 : rot 65:sc= 0.0807 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 91:sc= -0.571 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 75:sc= -0.305 USER MOD Single : A 38 TYR OH : rot -135:sc= 0.322 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -179:sc= -3.93 (180deg=-3.99) USER MOD Single : A 47 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.095) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 MET CE :methyl -157:sc= 0 (180deg=-0.172) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot -67:sc= 0.0474 USER MOD Single : A 81 GLN : amide:sc= -0.872 K(o=-0.87,f=-1.6) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 53:sc= 1.2 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0583 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.110 10.952 18.214 1.00 0.00 N ATOM 2 CA GLY A 1 -16.013 12.012 17.798 1.00 0.00 C ATOM 3 C GLY A 1 -15.245 13.156 17.132 1.00 0.00 C ATOM 4 O GLY A 1 -14.506 13.881 17.796 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.655 10.188 18.663 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.608 10.578 17.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.420 11.331 18.894 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.753 11.613 17.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.559 12.390 18.663 1.00 0.00 H new ATOM 8 N SER A 2 -15.447 13.281 15.829 1.00 0.00 N ATOM 9 CA SER A 2 -14.783 14.325 15.066 1.00 0.00 C ATOM 10 C SER A 2 -15.163 15.700 15.619 1.00 0.00 C ATOM 11 O SER A 2 -14.296 16.467 16.034 1.00 0.00 O ATOM 12 CB SER A 2 -15.140 14.233 13.581 1.00 0.00 C ATOM 13 OG SER A 2 -16.546 14.125 13.375 1.00 0.00 O ATOM 0 H SER A 2 -16.061 12.677 15.282 1.00 0.00 H new ATOM 0 HA SER A 2 -13.706 14.187 15.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.765 15.115 13.063 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.642 13.369 13.141 1.00 0.00 H new ATOM 0 HG SER A 2 -16.733 14.070 12.414 1.00 0.00 H new ATOM 19 N SER A 3 -16.460 15.969 15.607 1.00 0.00 N ATOM 20 CA SER A 3 -16.965 17.238 16.102 1.00 0.00 C ATOM 21 C SER A 3 -16.158 18.392 15.504 1.00 0.00 C ATOM 22 O SER A 3 -15.145 18.803 16.068 1.00 0.00 O ATOM 23 CB SER A 3 -16.916 17.292 17.630 1.00 0.00 C ATOM 24 OG SER A 3 -18.164 17.689 18.191 1.00 0.00 O ATOM 0 H SER A 3 -17.176 15.330 15.262 1.00 0.00 H new ATOM 0 HA SER A 3 -18.006 17.334 15.795 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.639 16.312 18.019 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.139 17.990 17.943 1.00 0.00 H new ATOM 0 HG SER A 3 -18.092 17.709 19.168 1.00 0.00 H new ATOM 30 N GLY A 4 -16.637 18.882 14.370 1.00 0.00 N ATOM 31 CA GLY A 4 -15.972 19.981 13.690 1.00 0.00 C ATOM 32 C GLY A 4 -14.459 19.758 13.637 1.00 0.00 C ATOM 33 O GLY A 4 -13.993 18.768 13.074 1.00 0.00 O ATOM 0 H GLY A 4 -17.477 18.538 13.905 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.365 20.078 12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.187 20.916 14.206 1.00 0.00 H new ATOM 37 N SER A 5 -13.734 20.694 14.230 1.00 0.00 N ATOM 38 CA SER A 5 -12.283 20.613 14.258 1.00 0.00 C ATOM 39 C SER A 5 -11.727 20.700 12.835 1.00 0.00 C ATOM 40 O SER A 5 -11.393 19.682 12.231 1.00 0.00 O ATOM 41 CB SER A 5 -11.817 19.320 14.931 1.00 0.00 C ATOM 42 OG SER A 5 -10.414 19.324 15.179 1.00 0.00 O ATOM 0 H SER A 5 -14.124 21.513 14.695 1.00 0.00 H new ATOM 0 HA SER A 5 -11.904 21.452 14.842 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.351 19.188 15.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.071 18.470 14.298 1.00 0.00 H new ATOM 0 HG SER A 5 -10.156 18.483 15.611 1.00 0.00 H new ATOM 48 N SER A 6 -11.645 21.927 12.341 1.00 0.00 N ATOM 49 CA SER A 6 -11.135 22.161 11.000 1.00 0.00 C ATOM 50 C SER A 6 -11.684 21.103 10.040 1.00 0.00 C ATOM 51 O SER A 6 -11.021 20.103 9.769 1.00 0.00 O ATOM 52 CB SER A 6 -9.606 22.151 10.983 1.00 0.00 C ATOM 53 OG SER A 6 -9.077 23.044 10.007 1.00 0.00 O ATOM 0 H SER A 6 -11.923 22.769 12.845 1.00 0.00 H new ATOM 0 HA SER A 6 -11.468 23.146 10.674 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.231 22.427 11.968 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.252 21.140 10.779 1.00 0.00 H new ATOM 0 HG SER A 6 -8.098 23.010 10.029 1.00 0.00 H new ATOM 59 N GLY A 7 -12.888 21.361 9.551 1.00 0.00 N ATOM 60 CA GLY A 7 -13.532 20.444 8.627 1.00 0.00 C ATOM 61 C GLY A 7 -13.546 21.015 7.208 1.00 0.00 C ATOM 62 O GLY A 7 -13.039 20.389 6.278 1.00 0.00 O ATOM 0 H GLY A 7 -13.434 22.192 9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.008 19.488 8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.553 20.250 8.955 1.00 0.00 H new ATOM 66 N GLN A 8 -14.130 22.198 7.085 1.00 0.00 N ATOM 67 CA GLN A 8 -14.216 22.861 5.795 1.00 0.00 C ATOM 68 C GLN A 8 -12.920 22.658 5.007 1.00 0.00 C ATOM 69 O GLN A 8 -11.866 23.157 5.400 1.00 0.00 O ATOM 70 CB GLN A 8 -14.529 24.349 5.963 1.00 0.00 C ATOM 71 CG GLN A 8 -13.566 25.003 6.956 1.00 0.00 C ATOM 72 CD GLN A 8 -14.326 25.845 7.982 1.00 0.00 C ATOM 73 OE1 GLN A 8 -14.668 26.993 7.751 1.00 0.00 O ATOM 74 NE2 GLN A 8 -14.570 25.212 9.127 1.00 0.00 N ATOM 0 H GLN A 8 -14.549 22.715 7.858 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.035 22.413 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.458 24.850 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.555 24.472 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.988 24.234 7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.855 25.631 6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.256 24.250 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.071 25.689 9.876 1.00 0.00 H new ATOM 83 N ASP A 9 -13.041 21.925 3.910 1.00 0.00 N ATOM 84 CA ASP A 9 -11.892 21.651 3.063 1.00 0.00 C ATOM 85 C ASP A 9 -12.374 21.097 1.721 1.00 0.00 C ATOM 86 O ASP A 9 -12.023 19.980 1.344 1.00 0.00 O ATOM 87 CB ASP A 9 -10.974 20.607 3.703 1.00 0.00 C ATOM 88 CG ASP A 9 -10.405 20.997 5.069 1.00 0.00 C ATOM 89 OD1 ASP A 9 -9.742 22.054 5.127 1.00 0.00 O ATOM 90 OD2 ASP A 9 -10.647 20.228 6.024 1.00 0.00 O ATOM 0 H ASP A 9 -13.917 21.512 3.588 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.342 22.582 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.528 19.674 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.145 20.409 3.024 1.00 0.00 H new ATOM 95 N SER A 10 -13.171 21.905 1.036 1.00 0.00 N ATOM 96 CA SER A 10 -13.705 21.510 -0.256 1.00 0.00 C ATOM 97 C SER A 10 -12.637 20.760 -1.056 1.00 0.00 C ATOM 98 O SER A 10 -11.443 20.987 -0.870 1.00 0.00 O ATOM 99 CB SER A 10 -14.200 22.725 -1.042 1.00 0.00 C ATOM 100 OG SER A 10 -13.126 23.549 -1.486 1.00 0.00 O ATOM 0 H SER A 10 -13.459 22.831 1.352 1.00 0.00 H new ATOM 0 HA SER A 10 -14.555 20.849 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.778 22.389 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.872 23.312 -0.416 1.00 0.00 H new ATOM 0 HG SER A 10 -13.484 24.313 -1.985 1.00 0.00 H new ATOM 106 N ASP A 11 -13.107 19.881 -1.930 1.00 0.00 N ATOM 107 CA ASP A 11 -12.207 19.096 -2.759 1.00 0.00 C ATOM 108 C ASP A 11 -11.493 18.060 -1.889 1.00 0.00 C ATOM 109 O ASP A 11 -11.727 16.861 -2.027 1.00 0.00 O ATOM 110 CB ASP A 11 -11.143 19.983 -3.409 1.00 0.00 C ATOM 111 CG ASP A 11 -10.970 19.786 -4.916 1.00 0.00 C ATOM 112 OD1 ASP A 11 -12.013 19.704 -5.601 1.00 0.00 O ATOM 113 OD2 ASP A 11 -9.799 19.722 -5.349 1.00 0.00 O ATOM 0 H ASP A 11 -14.098 19.695 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.799 18.614 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.397 21.026 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.187 19.795 -2.921 1.00 0.00 H new ATOM 118 N SER A 12 -10.635 18.561 -1.012 1.00 0.00 N ATOM 119 CA SER A 12 -9.885 17.694 -0.120 1.00 0.00 C ATOM 120 C SER A 12 -10.832 16.714 0.576 1.00 0.00 C ATOM 121 O SER A 12 -10.413 15.641 1.008 1.00 0.00 O ATOM 122 CB SER A 12 -9.108 18.509 0.916 1.00 0.00 C ATOM 123 OG SER A 12 -9.021 19.885 0.557 1.00 0.00 O ATOM 0 H SER A 12 -10.443 19.557 -0.900 1.00 0.00 H new ATOM 0 HA SER A 12 -9.165 17.132 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.594 18.418 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.104 18.098 1.022 1.00 0.00 H new ATOM 0 HG SER A 12 -9.875 20.327 0.746 1.00 0.00 H new ATOM 129 N THR A 13 -12.090 17.118 0.664 1.00 0.00 N ATOM 130 CA THR A 13 -13.100 16.290 1.301 1.00 0.00 C ATOM 131 C THR A 13 -13.092 14.883 0.699 1.00 0.00 C ATOM 132 O THR A 13 -12.934 13.897 1.417 1.00 0.00 O ATOM 133 CB THR A 13 -14.448 17.000 1.167 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.419 17.995 2.187 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.625 16.103 1.556 1.00 0.00 C ATOM 0 H THR A 13 -12.434 18.009 0.305 1.00 0.00 H new ATOM 0 HA THR A 13 -12.891 16.158 2.363 1.00 0.00 H new ATOM 0 HB THR A 13 -14.577 17.342 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.716 18.648 1.987 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.557 16.656 1.443 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.643 15.226 0.910 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.514 15.787 2.593 1.00 0.00 H new ATOM 143 N ALA A 14 -13.265 14.835 -0.614 1.00 0.00 N ATOM 144 CA ALA A 14 -13.280 13.566 -1.321 1.00 0.00 C ATOM 145 C ALA A 14 -12.137 12.688 -0.808 1.00 0.00 C ATOM 146 O ALA A 14 -12.274 11.468 -0.726 1.00 0.00 O ATOM 147 CB ALA A 14 -13.190 13.818 -2.827 1.00 0.00 C ATOM 0 H ALA A 14 -13.396 15.655 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.214 13.035 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.201 12.865 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.040 14.421 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.264 14.348 -3.053 1.00 0.00 H new ATOM 153 N ALA A 15 -11.034 13.342 -0.475 1.00 0.00 N ATOM 154 CA ALA A 15 -9.867 12.637 0.027 1.00 0.00 C ATOM 155 C ALA A 15 -10.165 12.103 1.430 1.00 0.00 C ATOM 156 O ALA A 15 -9.892 10.941 1.726 1.00 0.00 O ATOM 157 CB ALA A 15 -8.656 13.571 0.004 1.00 0.00 C ATOM 0 H ALA A 15 -10.924 14.354 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.631 11.783 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.781 13.041 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.469 13.899 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.854 14.439 0.633 1.00 0.00 H new ATOM 163 N VAL A 16 -10.720 12.978 2.256 1.00 0.00 N ATOM 164 CA VAL A 16 -11.057 12.609 3.620 1.00 0.00 C ATOM 165 C VAL A 16 -11.954 11.370 3.602 1.00 0.00 C ATOM 166 O VAL A 16 -11.801 10.476 4.433 1.00 0.00 O ATOM 167 CB VAL A 16 -11.695 13.798 4.341 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.931 13.481 5.819 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.843 15.059 4.180 1.00 0.00 C ATOM 0 H VAL A 16 -10.945 13.941 2.007 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.158 12.351 4.179 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.664 13.988 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.385 14.343 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.597 12.622 5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.979 13.252 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.319 15.889 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.853 14.885 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.749 15.302 3.122 1.00 0.00 H new ATOM 179 N ALA A 17 -12.870 11.356 2.645 1.00 0.00 N ATOM 180 CA ALA A 17 -13.792 10.241 2.507 1.00 0.00 C ATOM 181 C ALA A 17 -13.035 9.021 1.978 1.00 0.00 C ATOM 182 O ALA A 17 -12.976 7.987 2.640 1.00 0.00 O ATOM 183 CB ALA A 17 -14.953 10.647 1.597 1.00 0.00 C ATOM 0 H ALA A 17 -12.994 12.099 1.957 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.216 9.972 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.644 9.810 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.476 11.498 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.567 10.922 0.615 1.00 0.00 H new ATOM 189 N VAL A 18 -12.475 9.183 0.788 1.00 0.00 N ATOM 190 CA VAL A 18 -11.724 8.109 0.162 1.00 0.00 C ATOM 191 C VAL A 18 -10.701 7.559 1.158 1.00 0.00 C ATOM 192 O VAL A 18 -10.439 6.358 1.185 1.00 0.00 O ATOM 193 CB VAL A 18 -11.087 8.604 -1.138 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.649 9.069 -0.901 1.00 0.00 C ATOM 195 CG2 VAL A 18 -11.143 7.525 -2.222 1.00 0.00 C ATOM 0 H VAL A 18 -12.527 10.042 0.241 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.387 7.287 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.663 9.461 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.219 9.416 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.645 9.884 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.057 8.239 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.684 7.903 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.603 6.641 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.182 7.262 -2.420 1.00 0.00 H new ATOM 205 N LEU A 19 -10.150 8.466 1.952 1.00 0.00 N ATOM 206 CA LEU A 19 -9.161 8.087 2.947 1.00 0.00 C ATOM 207 C LEU A 19 -9.843 7.286 4.058 1.00 0.00 C ATOM 208 O LEU A 19 -9.290 6.302 4.547 1.00 0.00 O ATOM 209 CB LEU A 19 -8.409 9.320 3.451 1.00 0.00 C ATOM 210 CG LEU A 19 -7.348 9.891 2.508 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.676 11.122 3.118 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.330 8.818 2.115 1.00 0.00 C ATOM 0 H LEU A 19 -10.370 9.462 1.926 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.404 7.439 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.137 10.103 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.928 9.067 4.396 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.844 10.216 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.926 11.507 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.426 11.891 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.196 10.847 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.587 9.250 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.835 8.440 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.842 7.999 1.610 1.00 0.00 H new ATOM 224 N LYS A 20 -11.034 7.737 4.424 1.00 0.00 N ATOM 225 CA LYS A 20 -11.796 7.075 5.468 1.00 0.00 C ATOM 226 C LYS A 20 -12.115 5.644 5.031 1.00 0.00 C ATOM 227 O LYS A 20 -11.866 4.695 5.773 1.00 0.00 O ATOM 228 CB LYS A 20 -13.035 7.897 5.830 1.00 0.00 C ATOM 229 CG LYS A 20 -13.178 8.034 7.347 1.00 0.00 C ATOM 230 CD LYS A 20 -12.800 9.443 7.809 1.00 0.00 C ATOM 231 CE LYS A 20 -12.816 9.542 9.336 1.00 0.00 C ATOM 232 NZ LYS A 20 -14.203 9.680 9.832 1.00 0.00 N ATOM 0 H LYS A 20 -11.490 8.553 4.016 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.208 7.006 6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.965 8.886 5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.925 7.420 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.205 7.815 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.541 7.302 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.809 9.699 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.497 10.167 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.356 8.654 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.222 10.398 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.196 9.746 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.630 10.540 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.760 8.851 9.542 1.00 0.00 H new ATOM 246 N ARG A 21 -12.660 5.533 3.829 1.00 0.00 N ATOM 247 CA ARG A 21 -13.014 4.233 3.285 1.00 0.00 C ATOM 248 C ARG A 21 -11.783 3.327 3.229 1.00 0.00 C ATOM 249 O ARG A 21 -11.831 2.181 3.672 1.00 0.00 O ATOM 250 CB ARG A 21 -13.605 4.367 1.879 1.00 0.00 C ATOM 251 CG ARG A 21 -15.115 4.603 1.939 1.00 0.00 C ATOM 252 CD ARG A 21 -15.851 3.332 2.370 1.00 0.00 C ATOM 253 NE ARG A 21 -17.261 3.648 2.690 1.00 0.00 N ATOM 254 CZ ARG A 21 -18.241 2.736 2.749 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.970 1.446 2.509 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.492 3.114 3.047 1.00 0.00 N ATOM 0 H ARG A 21 -12.865 6.322 3.216 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.764 3.792 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.125 5.194 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.397 3.464 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.333 5.409 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.476 4.923 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.808 2.589 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.361 2.895 3.240 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.502 4.621 2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.018 1.159 2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.716 0.751 2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.698 4.096 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.238 2.419 3.092 1.00 0.00 H new ATOM 270 N ALA A 22 -10.708 3.876 2.681 1.00 0.00 N ATOM 271 CA ALA A 22 -9.466 3.131 2.561 1.00 0.00 C ATOM 272 C ALA A 22 -9.171 2.425 3.886 1.00 0.00 C ATOM 273 O ALA A 22 -9.101 1.198 3.937 1.00 0.00 O ATOM 274 CB ALA A 22 -8.341 4.080 2.143 1.00 0.00 C ATOM 0 H ALA A 22 -10.672 4.828 2.315 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.550 2.365 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.409 3.522 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.586 4.535 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.225 4.861 2.895 1.00 0.00 H new ATOM 280 N VAL A 23 -9.005 3.230 4.925 1.00 0.00 N ATOM 281 CA VAL A 23 -8.719 2.697 6.246 1.00 0.00 C ATOM 282 C VAL A 23 -9.543 1.428 6.469 1.00 0.00 C ATOM 283 O VAL A 23 -8.989 0.361 6.731 1.00 0.00 O ATOM 284 CB VAL A 23 -8.973 3.769 7.309 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.270 3.133 8.668 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.793 4.738 7.403 1.00 0.00 C ATOM 0 H VAL A 23 -9.063 4.247 4.879 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.668 2.420 6.327 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.851 4.339 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.447 3.916 9.405 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.156 2.503 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.420 2.527 8.980 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.999 5.489 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.891 4.188 7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.647 5.228 6.440 1.00 0.00 H new ATOM 296 N GLU A 24 -10.854 1.584 6.357 1.00 0.00 N ATOM 297 CA GLU A 24 -11.760 0.463 6.543 1.00 0.00 C ATOM 298 C GLU A 24 -11.274 -0.750 5.746 1.00 0.00 C ATOM 299 O GLU A 24 -11.005 -1.805 6.318 1.00 0.00 O ATOM 300 CB GLU A 24 -13.189 0.842 6.148 1.00 0.00 C ATOM 301 CG GLU A 24 -13.705 2.000 7.003 1.00 0.00 C ATOM 302 CD GLU A 24 -13.706 1.628 8.487 1.00 0.00 C ATOM 303 OE1 GLU A 24 -13.976 0.442 8.775 1.00 0.00 O ATOM 304 OE2 GLU A 24 -13.437 2.538 9.301 1.00 0.00 O ATOM 0 H GLU A 24 -11.311 2.470 6.140 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.768 0.199 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.217 1.122 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.844 -0.021 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.081 2.879 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.715 2.266 6.690 1.00 0.00 H new ATOM 311 N LEU A 25 -11.177 -0.559 4.439 1.00 0.00 N ATOM 312 CA LEU A 25 -10.729 -1.624 3.558 1.00 0.00 C ATOM 313 C LEU A 25 -9.434 -2.224 4.110 1.00 0.00 C ATOM 314 O LEU A 25 -9.259 -3.442 4.106 1.00 0.00 O ATOM 315 CB LEU A 25 -10.608 -1.115 2.120 1.00 0.00 C ATOM 316 CG LEU A 25 -11.918 -0.727 1.434 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.659 0.187 0.234 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.722 -1.970 1.044 1.00 0.00 C ATOM 0 H LEU A 25 -11.401 0.318 3.968 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.465 -2.427 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.948 -0.247 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.122 -1.886 1.522 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.521 -0.163 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.607 0.448 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.158 1.095 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.027 -0.330 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.649 -1.666 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.136 -2.582 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.954 -2.549 1.938 1.00 0.00 H new ATOM 330 N ASP A 26 -8.559 -1.342 4.571 1.00 0.00 N ATOM 331 CA ASP A 26 -7.286 -1.769 5.124 1.00 0.00 C ATOM 332 C ASP A 26 -7.537 -2.685 6.324 1.00 0.00 C ATOM 333 O ASP A 26 -6.764 -3.607 6.578 1.00 0.00 O ATOM 334 CB ASP A 26 -6.465 -0.571 5.607 1.00 0.00 C ATOM 335 CG ASP A 26 -4.999 -0.574 5.170 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.618 -1.534 4.466 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.292 0.384 5.551 1.00 0.00 O ATOM 0 H ASP A 26 -8.707 -0.333 4.573 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.736 -2.290 4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.935 0.343 5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.504 -0.538 6.696 1.00 0.00 H new ATOM 342 N ALA A 27 -8.621 -2.398 7.029 1.00 0.00 N ATOM 343 CA ALA A 27 -8.985 -3.184 8.196 1.00 0.00 C ATOM 344 C ALA A 27 -9.787 -4.409 7.751 1.00 0.00 C ATOM 345 O ALA A 27 -9.853 -5.406 8.469 1.00 0.00 O ATOM 346 CB ALA A 27 -9.759 -2.307 9.182 1.00 0.00 C ATOM 0 H ALA A 27 -9.259 -1.632 6.815 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.093 -3.543 8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.032 -2.897 10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.135 -1.468 9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.662 -1.930 8.702 1.00 0.00 H new ATOM 352 N GLU A 28 -10.376 -4.293 6.571 1.00 0.00 N ATOM 353 CA GLU A 28 -11.171 -5.378 6.022 1.00 0.00 C ATOM 354 C GLU A 28 -10.274 -6.371 5.280 1.00 0.00 C ATOM 355 O GLU A 28 -10.756 -7.365 4.739 1.00 0.00 O ATOM 356 CB GLU A 28 -12.272 -4.842 5.104 1.00 0.00 C ATOM 357 CG GLU A 28 -13.294 -4.023 5.894 1.00 0.00 C ATOM 358 CD GLU A 28 -14.601 -4.798 6.068 1.00 0.00 C ATOM 359 OE1 GLU A 28 -15.065 -5.363 5.055 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.107 -4.808 7.211 1.00 0.00 O ATOM 0 H GLU A 28 -10.319 -3.464 5.979 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.654 -5.901 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.830 -4.223 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.773 -5.673 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.884 -3.769 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.490 -3.084 5.377 1.00 0.00 H new ATOM 367 N SER A 29 -8.984 -6.068 5.279 1.00 0.00 N ATOM 368 CA SER A 29 -8.015 -6.921 4.613 1.00 0.00 C ATOM 369 C SER A 29 -8.079 -6.703 3.100 1.00 0.00 C ATOM 370 O SER A 29 -7.382 -7.377 2.342 1.00 0.00 O ATOM 371 CB SER A 29 -8.256 -8.394 4.948 1.00 0.00 C ATOM 372 OG SER A 29 -8.918 -8.556 6.199 1.00 0.00 O ATOM 0 H SER A 29 -8.587 -5.243 5.729 1.00 0.00 H new ATOM 0 HA SER A 29 -7.021 -6.653 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.854 -8.852 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.302 -8.921 4.972 1.00 0.00 H new ATOM 0 HG SER A 29 -9.887 -8.573 6.056 1.00 0.00 H new ATOM 378 N ARG A 30 -8.922 -5.760 2.705 1.00 0.00 N ATOM 379 CA ARG A 30 -9.086 -5.446 1.296 1.00 0.00 C ATOM 380 C ARG A 30 -8.042 -4.417 0.856 1.00 0.00 C ATOM 381 O ARG A 30 -8.391 -3.341 0.372 1.00 0.00 O ATOM 382 CB ARG A 30 -10.485 -4.895 1.014 1.00 0.00 C ATOM 383 CG ARG A 30 -11.562 -5.796 1.621 1.00 0.00 C ATOM 384 CD ARG A 30 -12.962 -5.255 1.323 1.00 0.00 C ATOM 385 NE ARG A 30 -13.747 -6.266 0.580 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.985 -6.059 0.111 1.00 0.00 C ATOM 387 NH1 ARG A 30 -15.586 -4.877 0.304 1.00 0.00 N ATOM 388 NH2 ARG A 30 -15.622 -7.034 -0.552 1.00 0.00 N ATOM 0 H ARG A 30 -9.498 -5.203 3.336 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.951 -6.369 0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.573 -3.889 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.638 -4.814 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.465 -6.805 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.417 -5.866 2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.469 -5.001 2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.890 -4.337 0.739 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.319 -7.177 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.101 -4.135 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.528 -4.720 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.164 -7.934 -0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.564 -6.877 -0.909 1.00 0.00 H new ATOM 402 N TYR A 31 -6.783 -4.783 1.041 1.00 0.00 N ATOM 403 CA TYR A 31 -5.686 -3.905 0.670 1.00 0.00 C ATOM 404 C TYR A 31 -5.815 -3.452 -0.785 1.00 0.00 C ATOM 405 O TYR A 31 -5.640 -2.273 -1.090 1.00 0.00 O ATOM 406 CB TYR A 31 -4.410 -4.737 0.822 1.00 0.00 C ATOM 407 CG TYR A 31 -4.137 -5.202 2.253 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.214 -4.302 3.297 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.814 -6.520 2.501 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.956 -4.740 4.645 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.556 -6.958 3.849 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.640 -6.046 4.854 1.00 0.00 C ATOM 413 OH TYR A 31 -3.397 -6.459 6.127 1.00 0.00 O ATOM 0 H TYR A 31 -6.497 -5.676 1.443 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.680 -3.012 1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.479 -5.611 0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.561 -4.148 0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.467 -3.270 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.754 -7.224 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.012 -4.047 5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.302 -7.987 4.056 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.185 -7.416 6.126 1.00 0.00 H new ATOM 423 N GLN A 32 -6.120 -4.412 -1.646 1.00 0.00 N ATOM 424 CA GLN A 32 -6.274 -4.127 -3.062 1.00 0.00 C ATOM 425 C GLN A 32 -7.266 -2.980 -3.267 1.00 0.00 C ATOM 426 O GLN A 32 -7.270 -2.338 -4.317 1.00 0.00 O ATOM 427 CB GLN A 32 -6.714 -5.375 -3.829 1.00 0.00 C ATOM 428 CG GLN A 32 -5.731 -5.703 -4.954 1.00 0.00 C ATOM 429 CD GLN A 32 -6.293 -5.282 -6.313 1.00 0.00 C ATOM 430 OE1 GLN A 32 -7.077 -5.981 -6.934 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.850 -4.103 -6.740 1.00 0.00 N ATOM 0 H GLN A 32 -6.265 -5.389 -1.390 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.306 -3.821 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.784 -6.221 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.709 -5.218 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.784 -5.194 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.522 -6.773 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.194 -3.568 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.166 -3.734 -7.637 1.00 0.00 H new ATOM 440 N GLN A 33 -8.083 -2.757 -2.248 1.00 0.00 N ATOM 441 CA GLN A 33 -9.077 -1.699 -2.303 1.00 0.00 C ATOM 442 C GLN A 33 -8.607 -0.486 -1.498 1.00 0.00 C ATOM 443 O GLN A 33 -8.658 0.644 -1.983 1.00 0.00 O ATOM 444 CB GLN A 33 -10.435 -2.195 -1.803 1.00 0.00 C ATOM 445 CG GLN A 33 -11.169 -2.977 -2.895 1.00 0.00 C ATOM 446 CD GLN A 33 -12.583 -2.433 -3.103 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.562 -2.972 -2.614 1.00 0.00 O ATOM 448 NE2 GLN A 33 -12.636 -1.337 -3.855 1.00 0.00 N ATOM 0 H GLN A 33 -8.077 -3.291 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.198 -1.396 -3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.295 -2.830 -0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.042 -1.347 -1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.611 -2.915 -3.829 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.218 -4.031 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.778 -0.936 -4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.535 -0.897 -4.053 1.00 0.00 H new ATOM 457 N ALA A 34 -8.158 -0.761 -0.282 1.00 0.00 N ATOM 458 CA ALA A 34 -7.679 0.294 0.595 1.00 0.00 C ATOM 459 C ALA A 34 -6.577 1.082 -0.117 1.00 0.00 C ATOM 460 O ALA A 34 -6.452 2.291 0.073 1.00 0.00 O ATOM 461 CB ALA A 34 -7.200 -0.317 1.914 1.00 0.00 C ATOM 0 H ALA A 34 -8.116 -1.699 0.116 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.483 0.991 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.841 0.474 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.027 -0.841 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.391 -1.020 1.717 1.00 0.00 H new ATOM 467 N LEU A 35 -5.806 0.365 -0.921 1.00 0.00 N ATOM 468 CA LEU A 35 -4.719 0.982 -1.662 1.00 0.00 C ATOM 469 C LEU A 35 -5.293 2.006 -2.643 1.00 0.00 C ATOM 470 O LEU A 35 -4.944 3.184 -2.591 1.00 0.00 O ATOM 471 CB LEU A 35 -3.850 -0.087 -2.328 1.00 0.00 C ATOM 472 CG LEU A 35 -2.524 0.397 -2.915 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.753 1.212 -4.190 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.715 1.176 -1.876 1.00 0.00 C ATOM 0 H LEU A 35 -5.912 -0.638 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.057 1.523 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.637 -0.864 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.429 -0.553 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.935 -0.477 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.794 1.544 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.258 0.593 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.371 2.080 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.777 1.508 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.287 2.043 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.504 0.532 -1.022 1.00 0.00 H new ATOM 486 N VAL A 36 -6.165 1.520 -3.514 1.00 0.00 N ATOM 487 CA VAL A 36 -6.791 2.378 -4.505 1.00 0.00 C ATOM 488 C VAL A 36 -7.337 3.631 -3.817 1.00 0.00 C ATOM 489 O VAL A 36 -7.000 4.750 -4.198 1.00 0.00 O ATOM 490 CB VAL A 36 -7.864 1.600 -5.269 1.00 0.00 C ATOM 491 CG1 VAL A 36 -8.428 2.432 -6.423 1.00 0.00 C ATOM 492 CG2 VAL A 36 -7.317 0.263 -5.774 1.00 0.00 C ATOM 0 H VAL A 36 -6.453 0.542 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.059 2.705 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.680 1.389 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.189 1.855 -6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.873 3.346 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.624 2.688 -7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.100 -0.270 -6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.475 0.443 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.986 -0.338 -4.927 1.00 0.00 H new ATOM 502 N CYS A 37 -8.172 3.399 -2.814 1.00 0.00 N ATOM 503 CA CYS A 37 -8.768 4.495 -2.069 1.00 0.00 C ATOM 504 C CYS A 37 -7.644 5.409 -1.577 1.00 0.00 C ATOM 505 O CYS A 37 -7.617 6.595 -1.902 1.00 0.00 O ATOM 506 CB CYS A 37 -9.637 3.988 -0.916 1.00 0.00 C ATOM 507 SG CYS A 37 -10.971 2.915 -1.562 1.00 0.00 S ATOM 0 H CYS A 37 -8.449 2.469 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.436 5.060 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -9.025 3.433 -0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.067 4.831 -0.376 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.474 1.763 -1.903 1.00 0.00 H new ATOM 513 N TYR A 38 -6.744 4.823 -0.801 1.00 0.00 N ATOM 514 CA TYR A 38 -5.621 5.570 -0.262 1.00 0.00 C ATOM 515 C TYR A 38 -4.971 6.439 -1.340 1.00 0.00 C ATOM 516 O TYR A 38 -4.643 7.599 -1.094 1.00 0.00 O ATOM 517 CB TYR A 38 -4.609 4.525 0.213 1.00 0.00 C ATOM 518 CG TYR A 38 -4.873 3.999 1.625 1.00 0.00 C ATOM 519 CD1 TYR A 38 -5.266 4.867 2.623 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.719 2.655 1.900 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.516 4.372 3.952 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.968 2.160 3.229 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.354 3.042 4.189 1.00 0.00 C ATOM 524 OH TYR A 38 -5.589 2.574 5.444 1.00 0.00 O ATOM 0 H TYR A 38 -6.770 3.839 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.949 6.230 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.615 3.686 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.610 4.960 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.386 5.918 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.412 1.975 1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.825 5.041 4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.851 1.111 3.458 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.872 1.959 5.703 1.00 0.00 H new ATOM 534 N GLN A 39 -4.805 5.845 -2.513 1.00 0.00 N ATOM 535 CA GLN A 39 -4.200 6.550 -3.630 1.00 0.00 C ATOM 536 C GLN A 39 -5.038 7.776 -4.000 1.00 0.00 C ATOM 537 O GLN A 39 -4.508 8.879 -4.128 1.00 0.00 O ATOM 538 CB GLN A 39 -4.025 5.623 -4.834 1.00 0.00 C ATOM 539 CG GLN A 39 -2.903 4.612 -4.588 1.00 0.00 C ATOM 540 CD GLN A 39 -1.543 5.197 -4.976 1.00 0.00 C ATOM 541 OE1 GLN A 39 -1.233 5.397 -6.139 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.751 5.459 -3.940 1.00 0.00 N ATOM 0 H GLN A 39 -5.079 4.883 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.209 6.888 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.958 5.095 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.800 6.213 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.892 4.324 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.091 3.707 -5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.072 5.268 -2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.178 5.851 -4.094 1.00 0.00 H new ATOM 551 N GLU A 40 -6.332 7.542 -4.161 1.00 0.00 N ATOM 552 CA GLU A 40 -7.248 8.613 -4.513 1.00 0.00 C ATOM 553 C GLU A 40 -7.098 9.782 -3.537 1.00 0.00 C ATOM 554 O GLU A 40 -6.990 10.934 -3.955 1.00 0.00 O ATOM 555 CB GLU A 40 -8.692 8.110 -4.548 1.00 0.00 C ATOM 556 CG GLU A 40 -8.781 6.747 -5.237 1.00 0.00 C ATOM 557 CD GLU A 40 -9.867 6.746 -6.315 1.00 0.00 C ATOM 558 OE1 GLU A 40 -11.025 6.446 -5.954 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.514 7.047 -7.476 1.00 0.00 O ATOM 0 H GLU A 40 -6.768 6.626 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.997 8.966 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.079 8.034 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.319 8.829 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.819 6.499 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.997 5.976 -4.498 1.00 0.00 H new ATOM 566 N GLY A 41 -7.098 9.445 -2.256 1.00 0.00 N ATOM 567 CA GLY A 41 -6.963 10.453 -1.217 1.00 0.00 C ATOM 568 C GLY A 41 -5.627 11.189 -1.337 1.00 0.00 C ATOM 569 O GLY A 41 -5.587 12.418 -1.311 1.00 0.00 O ATOM 0 H GLY A 41 -7.189 8.489 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.783 11.167 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.036 9.982 -0.237 1.00 0.00 H new ATOM 573 N ILE A 42 -4.566 10.405 -1.465 1.00 0.00 N ATOM 574 CA ILE A 42 -3.232 10.967 -1.589 1.00 0.00 C ATOM 575 C ILE A 42 -3.201 11.942 -2.768 1.00 0.00 C ATOM 576 O ILE A 42 -2.834 13.105 -2.608 1.00 0.00 O ATOM 577 CB ILE A 42 -2.188 9.853 -1.685 1.00 0.00 C ATOM 578 CG1 ILE A 42 -2.036 9.128 -0.346 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.853 10.395 -2.198 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.983 7.612 -0.546 1.00 0.00 C ATOM 0 H ILE A 42 -4.603 9.386 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.975 11.537 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.537 9.119 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.127 9.465 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.871 9.383 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.129 9.582 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.993 10.829 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.485 11.161 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.875 7.121 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.904 7.275 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.133 7.358 -1.179 1.00 0.00 H new ATOM 592 N ASP A 43 -3.591 11.431 -3.927 1.00 0.00 N ATOM 593 CA ASP A 43 -3.613 12.242 -5.133 1.00 0.00 C ATOM 594 C ASP A 43 -4.366 13.544 -4.853 1.00 0.00 C ATOM 595 O ASP A 43 -3.904 14.623 -5.220 1.00 0.00 O ATOM 596 CB ASP A 43 -4.331 11.515 -6.272 1.00 0.00 C ATOM 597 CG ASP A 43 -3.416 10.975 -7.373 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.254 10.657 -7.039 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.899 10.892 -8.522 1.00 0.00 O ATOM 0 H ASP A 43 -3.894 10.466 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.582 12.440 -5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.898 10.684 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.052 12.198 -6.722 1.00 0.00 H new ATOM 604 N MET A 44 -5.513 13.400 -4.206 1.00 0.00 N ATOM 605 CA MET A 44 -6.334 14.551 -3.874 1.00 0.00 C ATOM 606 C MET A 44 -5.596 15.495 -2.923 1.00 0.00 C ATOM 607 O MET A 44 -5.530 16.699 -3.165 1.00 0.00 O ATOM 608 CB MET A 44 -7.633 14.079 -3.217 1.00 0.00 C ATOM 609 CG MET A 44 -8.610 13.535 -4.262 1.00 0.00 C ATOM 610 SD MET A 44 -10.207 13.252 -3.517 1.00 0.00 S ATOM 611 CE MET A 44 -10.098 11.498 -3.208 1.00 0.00 C ATOM 0 H MET A 44 -5.893 12.503 -3.903 1.00 0.00 H new ATOM 0 HA MET A 44 -6.556 15.092 -4.794 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.413 13.305 -2.482 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.094 14.907 -2.679 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.704 14.242 -5.086 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.226 12.605 -4.682 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.027 11.150 -2.757 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.931 10.973 -4.148 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.269 11.299 -2.529 1.00 0.00 H new ATOM 621 N LEU A 45 -5.058 14.913 -1.861 1.00 0.00 N ATOM 622 CA LEU A 45 -4.327 15.687 -0.873 1.00 0.00 C ATOM 623 C LEU A 45 -3.170 16.418 -1.558 1.00 0.00 C ATOM 624 O LEU A 45 -3.036 17.634 -1.430 1.00 0.00 O ATOM 625 CB LEU A 45 -3.888 14.795 0.290 1.00 0.00 C ATOM 626 CG LEU A 45 -5.011 14.224 1.158 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.653 12.828 1.670 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.361 15.181 2.300 1.00 0.00 C ATOM 0 H LEU A 45 -5.114 13.914 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.971 16.449 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.309 13.964 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.218 15.369 0.929 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.902 14.121 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.468 12.446 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.492 12.160 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.743 12.882 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.162 14.752 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.482 15.339 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.689 16.135 1.888 1.00 0.00 H new ATOM 640 N LEU A 46 -2.364 15.645 -2.271 1.00 0.00 N ATOM 641 CA LEU A 46 -1.223 16.203 -2.976 1.00 0.00 C ATOM 642 C LEU A 46 -1.612 17.554 -3.579 1.00 0.00 C ATOM 643 O LEU A 46 -0.962 18.565 -3.318 1.00 0.00 O ATOM 644 CB LEU A 46 -0.686 15.204 -4.003 1.00 0.00 C ATOM 645 CG LEU A 46 0.529 14.383 -3.569 1.00 0.00 C ATOM 646 CD1 LEU A 46 1.097 13.581 -4.742 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.589 15.274 -2.918 1.00 0.00 C ATOM 0 H LEU A 46 -2.479 14.637 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.401 16.387 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.490 14.516 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.425 15.750 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 46 0.204 13.665 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.960 13.006 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.334 12.901 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.402 14.263 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.442 14.665 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.916 16.031 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.165 15.761 -2.040 1.00 0.00 H new ATOM 659 N GLN A 47 -2.672 17.529 -4.373 1.00 0.00 N ATOM 660 CA GLN A 47 -3.156 18.739 -5.015 1.00 0.00 C ATOM 661 C GLN A 47 -3.559 19.773 -3.962 1.00 0.00 C ATOM 662 O GLN A 47 -3.294 20.964 -4.121 1.00 0.00 O ATOM 663 CB GLN A 47 -4.322 18.432 -5.956 1.00 0.00 C ATOM 664 CG GLN A 47 -3.920 17.395 -7.007 1.00 0.00 C ATOM 665 CD GLN A 47 -4.236 17.894 -8.419 1.00 0.00 C ATOM 666 OE1 GLN A 47 -3.856 18.981 -8.820 1.00 0.00 O ATOM 667 NE2 GLN A 47 -4.951 17.041 -9.147 1.00 0.00 N ATOM 0 H GLN A 47 -3.210 16.689 -4.587 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.348 19.156 -5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.171 18.062 -5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.647 19.348 -6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.854 17.181 -6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.448 16.460 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.237 16.146 -8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.213 17.282 -10.103 1.00 0.00 H new ATOM 676 N VAL A 48 -4.195 19.281 -2.908 1.00 0.00 N ATOM 677 CA VAL A 48 -4.637 20.148 -1.829 1.00 0.00 C ATOM 678 C VAL A 48 -3.429 20.878 -1.239 1.00 0.00 C ATOM 679 O VAL A 48 -3.425 22.105 -1.148 1.00 0.00 O ATOM 680 CB VAL A 48 -5.410 19.335 -0.789 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.817 20.209 0.399 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.632 18.660 -1.417 1.00 0.00 C ATOM 0 H VAL A 48 -4.414 18.293 -2.779 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.323 20.907 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.749 18.552 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.365 19.606 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.925 20.621 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.452 21.024 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.163 18.089 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.296 19.420 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.308 17.990 -2.214 1.00 0.00 H new ATOM 692 N LEU A 49 -2.433 20.094 -0.855 1.00 0.00 N ATOM 693 CA LEU A 49 -1.222 20.651 -0.277 1.00 0.00 C ATOM 694 C LEU A 49 -0.655 21.715 -1.219 1.00 0.00 C ATOM 695 O LEU A 49 -0.352 22.828 -0.793 1.00 0.00 O ATOM 696 CB LEU A 49 -0.229 19.538 0.062 1.00 0.00 C ATOM 697 CG LEU A 49 1.105 19.988 0.662 1.00 0.00 C ATOM 698 CD1 LEU A 49 0.886 21.003 1.785 1.00 0.00 C ATOM 699 CD2 LEU A 49 1.931 18.787 1.127 1.00 0.00 C ATOM 0 H LEU A 49 -2.440 19.077 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.444 21.147 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.707 18.853 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.023 18.973 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 49 1.678 20.489 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.850 21.306 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.368 21.877 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.284 20.550 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.874 19.135 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.376 18.235 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.133 18.134 0.278 1.00 0.00 H new ATOM 711 N LYS A 50 -0.528 21.334 -2.482 1.00 0.00 N ATOM 712 CA LYS A 50 -0.003 22.242 -3.488 1.00 0.00 C ATOM 713 C LYS A 50 -0.634 23.623 -3.302 1.00 0.00 C ATOM 714 O LYS A 50 0.025 24.642 -3.502 1.00 0.00 O ATOM 715 CB LYS A 50 -0.199 21.660 -4.889 1.00 0.00 C ATOM 716 CG LYS A 50 0.764 20.498 -5.141 1.00 0.00 C ATOM 717 CD LYS A 50 2.002 20.968 -5.907 1.00 0.00 C ATOM 718 CE LYS A 50 2.317 20.026 -7.071 1.00 0.00 C ATOM 719 NZ LYS A 50 3.669 19.445 -6.917 1.00 0.00 N ATOM 0 H LYS A 50 -0.779 20.409 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 50 1.073 22.364 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.227 21.316 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.039 22.438 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.065 20.058 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.257 19.717 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.839 21.977 -6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.856 21.015 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.575 19.229 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.254 20.570 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.866 18.808 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.375 20.208 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.717 18.909 -6.027 1.00 0.00 H new ATOM 733 N GLY A 51 -1.903 23.612 -2.921 1.00 0.00 N ATOM 734 CA GLY A 51 -2.630 24.852 -2.706 1.00 0.00 C ATOM 735 C GLY A 51 -2.856 25.103 -1.213 1.00 0.00 C ATOM 736 O GLY A 51 -3.935 25.534 -0.809 1.00 0.00 O ATOM 0 H GLY A 51 -2.446 22.765 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.074 25.684 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.590 24.809 -3.221 1.00 0.00 H new ATOM 740 N THR A 52 -1.821 24.822 -0.435 1.00 0.00 N ATOM 741 CA THR A 52 -1.893 25.012 1.003 1.00 0.00 C ATOM 742 C THR A 52 -0.690 25.819 1.496 1.00 0.00 C ATOM 743 O THR A 52 0.377 25.260 1.744 1.00 0.00 O ATOM 744 CB THR A 52 -2.009 23.633 1.657 1.00 0.00 C ATOM 745 OG1 THR A 52 -3.266 23.139 1.204 1.00 0.00 O ATOM 746 CG2 THR A 52 -2.167 23.717 3.177 1.00 0.00 C ATOM 0 H THR A 52 -0.928 24.464 -0.774 1.00 0.00 H new ATOM 0 HA THR A 52 -2.771 25.595 1.281 1.00 0.00 H new ATOM 0 HB THR A 52 -1.126 23.042 1.416 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.159 22.737 0.317 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.245 22.712 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.300 24.220 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.069 24.280 3.419 1.00 0.00 H new ATOM 754 N LYS A 53 -0.903 27.120 1.622 1.00 0.00 N ATOM 755 CA LYS A 53 0.150 28.010 2.080 1.00 0.00 C ATOM 756 C LYS A 53 0.362 27.812 3.583 1.00 0.00 C ATOM 757 O LYS A 53 1.488 27.896 4.071 1.00 0.00 O ATOM 758 CB LYS A 53 -0.161 29.456 1.689 1.00 0.00 C ATOM 759 CG LYS A 53 0.916 30.016 0.758 1.00 0.00 C ATOM 760 CD LYS A 53 0.945 31.545 0.810 1.00 0.00 C ATOM 761 CE LYS A 53 1.606 32.124 -0.442 1.00 0.00 C ATOM 762 NZ LYS A 53 1.337 33.576 -0.546 1.00 0.00 N ATOM 0 H LYS A 53 -1.790 27.580 1.415 1.00 0.00 H new ATOM 0 HA LYS A 53 1.093 27.767 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.132 29.502 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.228 30.072 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.891 29.620 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.726 29.687 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.071 31.929 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.488 31.872 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.681 31.949 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.229 31.614 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.793 33.953 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.311 33.736 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.718 34.061 0.292 1.00 0.00 H new ATOM 776 N GLU A 54 -0.738 27.551 4.273 1.00 0.00 N ATOM 777 CA GLU A 54 -0.688 27.340 5.710 1.00 0.00 C ATOM 778 C GLU A 54 0.538 26.503 6.080 1.00 0.00 C ATOM 779 O GLU A 54 0.590 25.309 5.786 1.00 0.00 O ATOM 780 CB GLU A 54 -1.974 26.683 6.213 1.00 0.00 C ATOM 781 CG GLU A 54 -2.870 27.701 6.920 1.00 0.00 C ATOM 782 CD GLU A 54 -3.165 27.268 8.358 1.00 0.00 C ATOM 783 OE1 GLU A 54 -2.281 27.495 9.212 1.00 0.00 O ATOM 784 OE2 GLU A 54 -4.268 26.719 8.570 1.00 0.00 O ATOM 0 H GLU A 54 -1.670 27.481 3.864 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.602 28.311 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.512 26.240 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.728 25.872 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.385 28.677 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.805 27.811 6.371 1.00 0.00 H new ATOM 791 N SER A 55 1.494 27.161 6.720 1.00 0.00 N ATOM 792 CA SER A 55 2.715 26.491 7.134 1.00 0.00 C ATOM 793 C SER A 55 2.378 25.273 7.996 1.00 0.00 C ATOM 794 O SER A 55 3.061 24.252 7.928 1.00 0.00 O ATOM 795 CB SER A 55 3.634 27.445 7.900 1.00 0.00 C ATOM 796 OG SER A 55 3.029 27.921 9.099 1.00 0.00 O ATOM 0 H SER A 55 1.447 28.151 6.962 1.00 0.00 H new ATOM 0 HA SER A 55 3.243 26.160 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.566 26.934 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.891 28.291 7.263 1.00 0.00 H new ATOM 0 HG SER A 55 3.648 28.525 9.560 1.00 0.00 H new ATOM 802 N SER A 56 1.326 25.420 8.787 1.00 0.00 N ATOM 803 CA SER A 56 0.890 24.345 9.661 1.00 0.00 C ATOM 804 C SER A 56 0.255 23.224 8.836 1.00 0.00 C ATOM 805 O SER A 56 0.750 22.098 8.825 1.00 0.00 O ATOM 806 CB SER A 56 -0.098 24.855 10.712 1.00 0.00 C ATOM 807 OG SER A 56 0.404 25.993 11.408 1.00 0.00 O ATOM 0 H SER A 56 0.762 26.268 8.841 1.00 0.00 H new ATOM 0 HA SER A 56 1.764 23.954 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.041 25.112 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.312 24.059 11.425 1.00 0.00 H new ATOM 0 HG SER A 56 -0.256 26.290 12.069 1.00 0.00 H new ATOM 813 N LYS A 57 -0.833 23.572 8.163 1.00 0.00 N ATOM 814 CA LYS A 57 -1.541 22.609 7.336 1.00 0.00 C ATOM 815 C LYS A 57 -0.527 21.739 6.592 1.00 0.00 C ATOM 816 O LYS A 57 -0.509 20.520 6.757 1.00 0.00 O ATOM 817 CB LYS A 57 -2.533 23.322 6.415 1.00 0.00 C ATOM 818 CG LYS A 57 -3.745 23.828 7.201 1.00 0.00 C ATOM 819 CD LYS A 57 -4.895 24.193 6.260 1.00 0.00 C ATOM 820 CE LYS A 57 -6.238 23.743 6.836 1.00 0.00 C ATOM 821 NZ LYS A 57 -7.303 24.711 6.487 1.00 0.00 N ATOM 0 H LYS A 57 -1.241 24.507 8.174 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.140 21.941 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.040 24.159 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.862 22.640 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.074 23.061 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.462 24.700 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.908 25.271 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.737 23.725 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.494 22.757 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.163 23.651 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.208 24.390 6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.065 25.645 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.385 24.779 5.452 1.00 0.00 H new ATOM 835 N ARG A 58 0.294 22.399 5.788 1.00 0.00 N ATOM 836 CA ARG A 58 1.309 21.700 5.018 1.00 0.00 C ATOM 837 C ARG A 58 1.971 20.616 5.871 1.00 0.00 C ATOM 838 O ARG A 58 2.218 19.510 5.393 1.00 0.00 O ATOM 839 CB ARG A 58 2.381 22.669 4.514 1.00 0.00 C ATOM 840 CG ARG A 58 1.838 23.551 3.389 1.00 0.00 C ATOM 841 CD ARG A 58 2.379 24.978 3.501 1.00 0.00 C ATOM 842 NE ARG A 58 2.905 25.425 2.192 1.00 0.00 N ATOM 843 CZ ARG A 58 3.978 24.891 1.592 1.00 0.00 C ATOM 844 NH1 ARG A 58 4.645 23.889 2.180 1.00 0.00 N ATOM 845 NH2 ARG A 58 4.383 25.360 0.404 1.00 0.00 N ATOM 0 H ARG A 58 0.277 23.410 5.653 1.00 0.00 H new ATOM 0 HA ARG A 58 0.817 21.241 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.726 23.295 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.244 22.108 4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.116 23.128 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.749 23.567 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.588 25.650 3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.168 25.019 4.252 1.00 0.00 H new ATOM 0 HE ARG A 58 2.421 26.187 1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.336 23.532 3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.462 23.483 1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.875 26.123 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.199 24.954 -0.053 1.00 0.00 H new ATOM 859 N CYS A 59 2.239 20.972 7.119 1.00 0.00 N ATOM 860 CA CYS A 59 2.867 20.044 8.043 1.00 0.00 C ATOM 861 C CYS A 59 1.948 18.832 8.206 1.00 0.00 C ATOM 862 O CYS A 59 2.375 17.694 8.015 1.00 0.00 O ATOM 863 CB CYS A 59 3.180 20.707 9.386 1.00 0.00 C ATOM 864 SG CYS A 59 4.803 20.131 10.005 1.00 0.00 S ATOM 0 H CYS A 59 2.032 21.891 7.511 1.00 0.00 H new ATOM 0 HA CYS A 59 3.826 19.720 7.640 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.189 21.791 9.272 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.400 20.468 10.109 1.00 0.00 H new ATOM 0 HG CYS A 59 5.060 20.702 11.144 1.00 0.00 H new ATOM 870 N VAL A 60 0.702 19.117 8.557 1.00 0.00 N ATOM 871 CA VAL A 60 -0.281 18.064 8.747 1.00 0.00 C ATOM 872 C VAL A 60 -0.457 17.294 7.437 1.00 0.00 C ATOM 873 O VAL A 60 -0.368 16.067 7.418 1.00 0.00 O ATOM 874 CB VAL A 60 -1.590 18.659 9.271 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.657 17.576 9.437 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.363 19.411 10.584 1.00 0.00 C ATOM 0 H VAL A 60 0.351 20.062 8.715 1.00 0.00 H new ATOM 0 HA VAL A 60 0.062 17.353 9.499 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.952 19.375 8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.577 18.026 9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.849 17.104 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.306 16.825 10.145 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.309 19.824 10.935 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.967 18.725 11.332 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.652 20.221 10.421 1.00 0.00 H new ATOM 886 N LEU A 61 -0.704 18.045 6.374 1.00 0.00 N ATOM 887 CA LEU A 61 -0.893 17.448 5.063 1.00 0.00 C ATOM 888 C LEU A 61 0.285 16.523 4.754 1.00 0.00 C ATOM 889 O LEU A 61 0.112 15.311 4.628 1.00 0.00 O ATOM 890 CB LEU A 61 -1.117 18.533 4.008 1.00 0.00 C ATOM 891 CG LEU A 61 -2.561 19.003 3.825 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.616 20.309 3.029 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.419 17.908 3.189 1.00 0.00 C ATOM 0 H LEU A 61 -0.778 19.062 6.394 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.793 16.833 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.505 19.397 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.753 18.161 3.050 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.980 19.208 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.654 20.621 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.062 21.083 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.172 20.155 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.441 18.269 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.011 17.647 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.418 17.026 3.830 1.00 0.00 H new ATOM 905 N ARG A 62 1.458 17.128 4.640 1.00 0.00 N ATOM 906 CA ARG A 62 2.665 16.374 4.348 1.00 0.00 C ATOM 907 C ARG A 62 2.742 15.130 5.236 1.00 0.00 C ATOM 908 O ARG A 62 3.248 14.092 4.814 1.00 0.00 O ATOM 909 CB ARG A 62 3.915 17.228 4.569 1.00 0.00 C ATOM 910 CG ARG A 62 4.237 18.060 3.326 1.00 0.00 C ATOM 911 CD ARG A 62 5.575 18.786 3.484 1.00 0.00 C ATOM 912 NE ARG A 62 6.499 18.386 2.398 1.00 0.00 N ATOM 913 CZ ARG A 62 7.747 18.855 2.264 1.00 0.00 C ATOM 914 NH1 ARG A 62 8.228 19.743 3.144 1.00 0.00 N ATOM 915 NH2 ARG A 62 8.514 18.436 1.248 1.00 0.00 N ATOM 0 H ARG A 62 1.598 18.133 4.745 1.00 0.00 H new ATOM 0 HA ARG A 62 2.624 16.075 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.763 17.888 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.761 16.585 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.272 17.413 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.443 18.787 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.418 19.864 3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.015 18.549 4.453 1.00 0.00 H new ATOM 0 HE ARG A 62 6.165 17.712 1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.644 20.063 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.178 20.099 3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.148 17.760 0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.464 18.793 1.145 1.00 0.00 H new ATOM 929 N THR A 63 2.231 15.277 6.450 1.00 0.00 N ATOM 930 CA THR A 63 2.235 14.178 7.401 1.00 0.00 C ATOM 931 C THR A 63 1.130 13.176 7.063 1.00 0.00 C ATOM 932 O THR A 63 1.288 11.976 7.281 1.00 0.00 O ATOM 933 CB THR A 63 2.110 14.770 8.807 1.00 0.00 C ATOM 934 OG1 THR A 63 3.458 14.918 9.242 1.00 0.00 O ATOM 935 CG2 THR A 63 1.502 13.783 9.805 1.00 0.00 C ATOM 0 H THR A 63 1.812 16.140 6.797 1.00 0.00 H new ATOM 0 HA THR A 63 3.167 13.615 7.351 1.00 0.00 H new ATOM 0 HB THR A 63 1.498 15.671 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.470 15.298 10.145 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.436 14.252 10.786 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.505 13.496 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.132 12.896 9.869 1.00 0.00 H new ATOM 943 N LYS A 64 0.035 13.705 6.537 1.00 0.00 N ATOM 944 CA LYS A 64 -1.096 12.872 6.166 1.00 0.00 C ATOM 945 C LYS A 64 -0.780 12.143 4.858 1.00 0.00 C ATOM 946 O LYS A 64 -0.786 10.914 4.811 1.00 0.00 O ATOM 947 CB LYS A 64 -2.379 13.703 6.113 1.00 0.00 C ATOM 948 CG LYS A 64 -3.295 13.375 7.294 1.00 0.00 C ATOM 949 CD LYS A 64 -4.694 13.955 7.081 1.00 0.00 C ATOM 950 CE LYS A 64 -4.707 15.464 7.334 1.00 0.00 C ATOM 951 NZ LYS A 64 -5.440 16.164 6.255 1.00 0.00 N ATOM 0 H LYS A 64 -0.093 14.701 6.359 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.271 12.107 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.130 14.764 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.903 13.510 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.361 12.294 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.867 13.776 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.025 13.751 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.401 13.464 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.176 15.674 8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.685 15.838 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.439 17.187 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.976 15.978 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.420 15.819 6.221 1.00 0.00 H new ATOM 965 N ILE A 65 -0.512 12.932 3.828 1.00 0.00 N ATOM 966 CA ILE A 65 -0.195 12.378 2.523 1.00 0.00 C ATOM 967 C ILE A 65 0.790 11.219 2.692 1.00 0.00 C ATOM 968 O ILE A 65 0.454 10.069 2.416 1.00 0.00 O ATOM 969 CB ILE A 65 0.303 13.476 1.581 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.868 14.264 0.991 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.209 12.896 0.494 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.516 15.747 0.852 1.00 0.00 C ATOM 0 H ILE A 65 -0.508 13.951 3.871 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.091 11.970 2.054 1.00 0.00 H new ATOM 0 HB ILE A 65 0.904 14.177 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.131 13.856 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.744 14.153 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.549 13.697 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.071 12.415 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.654 12.161 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.365 16.285 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.277 16.158 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.346 15.856 0.194 1.00 0.00 H new ATOM 984 N SER A 66 1.987 11.563 3.144 1.00 0.00 N ATOM 985 CA SER A 66 3.023 10.566 3.353 1.00 0.00 C ATOM 986 C SER A 66 2.469 9.400 4.174 1.00 0.00 C ATOM 987 O SER A 66 2.662 8.239 3.817 1.00 0.00 O ATOM 988 CB SER A 66 4.241 11.175 4.051 1.00 0.00 C ATOM 989 OG SER A 66 5.066 10.180 4.650 1.00 0.00 O ATOM 0 H SER A 66 2.262 12.518 3.371 1.00 0.00 H new ATOM 0 HA SER A 66 3.343 10.196 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.826 11.744 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.907 11.877 4.815 1.00 0.00 H new ATOM 0 HG SER A 66 5.833 10.609 5.084 1.00 0.00 H new ATOM 995 N GLY A 67 1.793 9.750 5.258 1.00 0.00 N ATOM 996 CA GLY A 67 1.210 8.747 6.133 1.00 0.00 C ATOM 997 C GLY A 67 0.335 7.772 5.342 1.00 0.00 C ATOM 998 O GLY A 67 0.267 6.588 5.669 1.00 0.00 O ATOM 0 H GLY A 67 1.636 10.714 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.002 8.199 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.613 9.234 6.904 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.312 8.306 4.317 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.180 7.498 3.477 1.00 0.00 C ATOM 1004 C TYR A 68 -0.397 6.873 2.320 1.00 0.00 C ATOM 1005 O TYR A 68 -0.886 5.962 1.655 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.228 8.456 2.909 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.191 9.018 3.957 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.984 8.162 4.694 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.266 10.380 4.165 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.890 8.691 5.681 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.172 10.909 5.152 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.939 10.038 5.861 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.795 10.537 6.793 1.00 0.00 O ATOM 0 H TYR A 68 -0.253 9.288 4.049 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.624 6.686 4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.719 9.285 2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.804 7.936 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.925 7.096 4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.645 11.049 3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.516 8.033 6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.241 11.973 5.325 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.911 9.883 7.514 1.00 0.00 H new ATOM 1023 N MET A 69 0.806 7.389 2.115 1.00 0.00 N ATOM 1024 CA MET A 69 1.662 6.894 1.050 1.00 0.00 C ATOM 1025 C MET A 69 2.435 5.653 1.501 1.00 0.00 C ATOM 1026 O MET A 69 2.475 4.650 0.789 1.00 0.00 O ATOM 1027 CB MET A 69 2.648 7.988 0.637 1.00 0.00 C ATOM 1028 CG MET A 69 1.940 9.102 -0.135 1.00 0.00 C ATOM 1029 SD MET A 69 3.045 9.801 -1.351 1.00 0.00 S ATOM 1030 CE MET A 69 2.783 8.661 -2.699 1.00 0.00 C ATOM 0 H MET A 69 1.208 8.145 2.669 1.00 0.00 H new ATOM 0 HA MET A 69 1.034 6.620 0.202 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.128 8.403 1.523 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.437 7.558 0.020 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.050 8.707 -0.625 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.607 9.878 0.554 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.646 8.680 -3.364 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.651 7.654 -2.303 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.891 8.952 -3.254 1.00 0.00 H new ATOM 1040 N ASP A 70 3.029 5.760 2.680 1.00 0.00 N ATOM 1041 CA ASP A 70 3.798 4.659 3.234 1.00 0.00 C ATOM 1042 C ASP A 70 2.905 3.421 3.341 1.00 0.00 C ATOM 1043 O ASP A 70 3.301 2.329 2.938 1.00 0.00 O ATOM 1044 CB ASP A 70 4.310 4.995 4.636 1.00 0.00 C ATOM 1045 CG ASP A 70 5.286 3.977 5.229 1.00 0.00 C ATOM 1046 OD1 ASP A 70 4.791 2.998 5.828 1.00 0.00 O ATOM 1047 OD2 ASP A 70 6.506 4.201 5.070 1.00 0.00 O ATOM 0 H ASP A 70 2.993 6.593 3.268 1.00 0.00 H new ATOM 0 HA ASP A 70 4.646 4.475 2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.799 5.969 4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.455 5.089 5.306 1.00 0.00 H new ATOM 1052 N ARG A 71 1.716 3.634 3.885 1.00 0.00 N ATOM 1053 CA ARG A 71 0.763 2.550 4.050 1.00 0.00 C ATOM 1054 C ARG A 71 0.373 1.975 2.687 1.00 0.00 C ATOM 1055 O ARG A 71 0.373 0.759 2.498 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.497 3.028 4.774 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.446 1.861 5.052 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.679 0.642 5.568 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.598 -0.263 6.294 1.00 0.00 N ATOM 1060 CZ ARG A 71 -2.012 -0.062 7.552 1.00 0.00 C ATOM 1061 NH1 ARG A 71 -1.592 1.014 8.232 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.846 -0.937 8.131 1.00 0.00 N ATOM 0 H ARG A 71 1.391 4.542 4.217 1.00 0.00 H new ATOM 0 HA ARG A 71 1.241 1.777 4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.221 3.508 5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.006 3.779 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.193 2.162 5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.982 1.598 4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.217 0.113 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.127 0.962 6.228 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.937 -1.092 5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.957 1.680 7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.907 1.167 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.165 -1.756 7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.161 -0.784 9.089 1.00 0.00 H new ATOM 1076 N ALA A 72 0.048 2.876 1.771 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.344 2.473 0.431 1.00 0.00 C ATOM 1078 C ALA A 72 0.808 1.708 -0.224 1.00 0.00 C ATOM 1079 O ALA A 72 0.616 0.603 -0.729 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.756 3.708 -0.373 1.00 0.00 C ATOM 0 H ALA A 72 0.048 3.883 1.931 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.205 1.805 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.050 3.406 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.596 4.199 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.084 4.400 -0.433 1.00 0.00 H new ATOM 1086 N GLU A 73 1.979 2.327 -0.196 1.00 0.00 N ATOM 1087 CA GLU A 73 3.162 1.718 -0.781 1.00 0.00 C ATOM 1088 C GLU A 73 3.314 0.276 -0.292 1.00 0.00 C ATOM 1089 O GLU A 73 3.192 -0.664 -1.075 1.00 0.00 O ATOM 1090 CB GLU A 73 4.414 2.539 -0.466 1.00 0.00 C ATOM 1091 CG GLU A 73 4.665 3.594 -1.545 1.00 0.00 C ATOM 1092 CD GLU A 73 6.157 3.912 -1.664 1.00 0.00 C ATOM 1093 OE1 GLU A 73 6.859 3.105 -2.310 1.00 0.00 O ATOM 1094 OE2 GLU A 73 6.560 4.956 -1.107 1.00 0.00 O ATOM 0 H GLU A 73 2.134 3.244 0.223 1.00 0.00 H new ATOM 0 HA GLU A 73 3.041 1.703 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.300 3.025 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.277 1.878 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.288 3.236 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.114 4.503 -1.305 1.00 0.00 H new ATOM 1101 N ASN A 74 3.577 0.148 1.000 1.00 0.00 N ATOM 1102 CA ASN A 74 3.746 -1.163 1.602 1.00 0.00 C ATOM 1103 C ASN A 74 2.711 -2.126 1.018 1.00 0.00 C ATOM 1104 O ASN A 74 3.024 -3.280 0.730 1.00 0.00 O ATOM 1105 CB ASN A 74 3.536 -1.105 3.117 1.00 0.00 C ATOM 1106 CG ASN A 74 4.808 -1.513 3.863 1.00 0.00 C ATOM 1107 OD1 ASN A 74 5.008 -2.663 4.218 1.00 0.00 O ATOM 1108 ND2 ASN A 74 5.653 -0.510 4.081 1.00 0.00 N ATOM 0 H ASN A 74 3.677 0.931 1.646 1.00 0.00 H new ATOM 0 HA ASN A 74 4.760 -1.502 1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.247 -0.096 3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.717 -1.766 3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.531 -0.680 4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.424 0.430 3.757 1.00 0.00 H new ATOM 1115 N ILE A 75 1.498 -1.616 0.859 1.00 0.00 N ATOM 1116 CA ILE A 75 0.415 -2.416 0.314 1.00 0.00 C ATOM 1117 C ILE A 75 0.702 -2.721 -1.157 1.00 0.00 C ATOM 1118 O ILE A 75 0.782 -3.883 -1.550 1.00 0.00 O ATOM 1119 CB ILE A 75 -0.931 -1.727 0.549 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.401 -1.918 1.992 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -1.975 -2.204 -0.463 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.656 -1.090 2.274 1.00 0.00 C ATOM 0 H ILE A 75 1.242 -0.658 1.098 1.00 0.00 H new ATOM 0 HA ILE A 75 0.351 -3.373 0.831 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.798 -0.656 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.608 -2.973 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.606 -1.626 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.922 -1.699 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.636 -1.972 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.112 -3.281 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.969 -1.244 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.439 -0.034 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.456 -1.401 1.602 1.00 0.00 H new ATOM 1134 N LYS A 76 0.849 -1.655 -1.931 1.00 0.00 N ATOM 1135 CA LYS A 76 1.125 -1.794 -3.351 1.00 0.00 C ATOM 1136 C LYS A 76 2.269 -2.791 -3.549 1.00 0.00 C ATOM 1137 O LYS A 76 2.142 -3.741 -4.320 1.00 0.00 O ATOM 1138 CB LYS A 76 1.387 -0.425 -3.982 1.00 0.00 C ATOM 1139 CG LYS A 76 0.145 0.089 -4.712 1.00 0.00 C ATOM 1140 CD LYS A 76 0.473 0.457 -6.161 1.00 0.00 C ATOM 1141 CE LYS A 76 1.297 1.744 -6.226 1.00 0.00 C ATOM 1142 NZ LYS A 76 2.600 1.493 -6.883 1.00 0.00 N ATOM 0 H LYS A 76 0.782 -0.692 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 76 0.256 -2.198 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.679 0.286 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.220 -0.496 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.633 -0.674 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.252 0.961 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.025 -0.357 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.451 0.583 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.747 2.508 -6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.459 2.130 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.301 2.178 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.920 0.528 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.495 1.596 -7.913 1.00 0.00 H new ATOM 1156 N LYS A 77 3.359 -2.541 -2.838 1.00 0.00 N ATOM 1157 CA LYS A 77 4.524 -3.405 -2.926 1.00 0.00 C ATOM 1158 C LYS A 77 4.103 -4.850 -2.652 1.00 0.00 C ATOM 1159 O LYS A 77 4.708 -5.786 -3.172 1.00 0.00 O ATOM 1160 CB LYS A 77 5.635 -2.902 -2.002 1.00 0.00 C ATOM 1161 CG LYS A 77 6.486 -1.837 -2.697 1.00 0.00 C ATOM 1162 CD LYS A 77 5.777 -0.481 -2.696 1.00 0.00 C ATOM 1163 CE LYS A 77 4.774 -0.387 -3.847 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.150 0.704 -4.774 1.00 0.00 N ATOM 0 H LYS A 77 3.460 -1.753 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 77 4.942 -3.380 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.198 -2.487 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.267 -3.737 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.448 -1.749 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.691 -2.143 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.261 -0.337 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.513 0.318 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.740 -1.334 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.774 -0.208 -3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.664 0.570 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.872 1.619 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.179 0.691 -4.926 1.00 0.00 H new ATOM 1178 N TYR A 78 3.069 -4.987 -1.834 1.00 0.00 N ATOM 1179 CA TYR A 78 2.561 -6.302 -1.485 1.00 0.00 C ATOM 1180 C TYR A 78 1.501 -6.765 -2.487 1.00 0.00 C ATOM 1181 O TYR A 78 1.269 -7.963 -2.642 1.00 0.00 O ATOM 1182 CB TYR A 78 1.911 -6.151 -0.108 1.00 0.00 C ATOM 1183 CG TYR A 78 0.660 -7.009 0.088 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.782 -8.338 0.440 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.592 -6.455 -0.089 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.396 -9.146 0.624 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -1.770 -7.262 0.095 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.613 -8.568 0.442 1.00 0.00 C ATOM 1189 OH TYR A 78 -2.726 -9.331 0.616 1.00 0.00 O ATOM 0 H TYR A 78 2.570 -4.209 -1.403 1.00 0.00 H new ATOM 0 HA TYR A 78 3.366 -7.037 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.642 -6.412 0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.649 -5.104 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.761 -8.772 0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.688 -5.415 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.314 -10.187 0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.755 -6.840 -0.039 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.767 -10.014 -0.086 1.00 0.00 H new ATOM 1199 N LEU A 79 0.887 -5.791 -3.142 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.142 -6.083 -4.126 1.00 0.00 C ATOM 1201 C LEU A 79 0.519 -6.502 -5.440 1.00 0.00 C ATOM 1202 O LEU A 79 0.034 -7.402 -6.124 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.098 -4.897 -4.269 1.00 0.00 C ATOM 1204 CG LEU A 79 -1.938 -4.560 -3.035 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.819 -3.336 -3.290 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.756 -5.771 -2.582 1.00 0.00 C ATOM 0 H LEU A 79 1.082 -4.798 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.757 -6.921 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.515 -4.016 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.774 -5.099 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.261 -4.305 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.406 -3.118 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.190 -2.479 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.490 -3.538 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.344 -5.505 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.424 -6.080 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.083 -6.592 -2.333 1.00 0.00 H new ATOM 1218 N ASP A 80 1.617 -5.830 -5.754 1.00 0.00 N ATOM 1219 CA ASP A 80 2.350 -6.122 -6.975 1.00 0.00 C ATOM 1220 C ASP A 80 2.856 -7.565 -6.928 1.00 0.00 C ATOM 1221 O ASP A 80 2.807 -8.276 -7.930 1.00 0.00 O ATOM 1222 CB ASP A 80 3.562 -5.200 -7.123 1.00 0.00 C ATOM 1223 CG ASP A 80 3.236 -3.768 -7.555 1.00 0.00 C ATOM 1224 OD1 ASP A 80 2.241 -3.611 -8.295 1.00 0.00 O ATOM 1225 OD2 ASP A 80 3.990 -2.864 -7.136 1.00 0.00 O ATOM 0 H ASP A 80 2.017 -5.084 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 80 1.676 -5.970 -7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.091 -5.165 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.245 -5.637 -7.851 1.00 0.00 H new ATOM 1230 N GLN A 81 3.332 -7.953 -5.754 1.00 0.00 N ATOM 1231 CA GLN A 81 3.847 -9.298 -5.564 1.00 0.00 C ATOM 1232 C GLN A 81 2.695 -10.302 -5.484 1.00 0.00 C ATOM 1233 O GLN A 81 2.755 -11.371 -6.088 1.00 0.00 O ATOM 1234 CB GLN A 81 4.729 -9.376 -4.316 1.00 0.00 C ATOM 1235 CG GLN A 81 3.911 -9.121 -3.049 1.00 0.00 C ATOM 1236 CD GLN A 81 4.805 -9.129 -1.808 1.00 0.00 C ATOM 1237 OE1 GLN A 81 5.977 -8.792 -1.853 1.00 0.00 O ATOM 1238 NE2 GLN A 81 4.189 -9.532 -0.700 1.00 0.00 N ATOM 0 H GLN A 81 3.372 -7.360 -4.925 1.00 0.00 H new ATOM 0 HA GLN A 81 4.466 -9.553 -6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.198 -10.358 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.532 -8.643 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.401 -8.161 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.139 -9.884 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.205 -9.800 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.700 -9.573 0.182 1.00 0.00 H new ATOM 1247 N GLU A 82 1.672 -9.921 -4.733 1.00 0.00 N ATOM 1248 CA GLU A 82 0.508 -10.774 -4.566 1.00 0.00 C ATOM 1249 C GLU A 82 -0.093 -11.125 -5.929 1.00 0.00 C ATOM 1250 O GLU A 82 -0.725 -12.169 -6.083 1.00 0.00 O ATOM 1251 CB GLU A 82 -0.533 -10.111 -3.662 1.00 0.00 C ATOM 1252 CG GLU A 82 -0.096 -10.156 -2.196 1.00 0.00 C ATOM 1253 CD GLU A 82 -0.823 -11.271 -1.442 1.00 0.00 C ATOM 1254 OE1 GLU A 82 -2.034 -11.438 -1.704 1.00 0.00 O ATOM 1255 OE2 GLU A 82 -0.152 -11.931 -0.619 1.00 0.00 O ATOM 0 H GLU A 82 1.625 -9.033 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 82 0.825 -11.698 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.680 -9.076 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.492 -10.616 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.981 -10.315 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.302 -9.197 -1.722 1.00 0.00 H new ATOM 1262 N LYS A 83 0.124 -10.232 -6.883 1.00 0.00 N ATOM 1263 CA LYS A 83 -0.388 -10.433 -8.227 1.00 0.00 C ATOM 1264 C LYS A 83 0.413 -11.542 -8.913 1.00 0.00 C ATOM 1265 O LYS A 83 -0.154 -12.386 -9.604 1.00 0.00 O ATOM 1266 CB LYS A 83 -0.397 -9.113 -9.001 1.00 0.00 C ATOM 1267 CG LYS A 83 -1.828 -8.677 -9.324 1.00 0.00 C ATOM 1268 CD LYS A 83 -1.903 -8.025 -10.706 1.00 0.00 C ATOM 1269 CE LYS A 83 -2.659 -8.918 -11.692 1.00 0.00 C ATOM 1270 NZ LYS A 83 -2.677 -8.302 -13.038 1.00 0.00 N ATOM 0 H LYS A 83 0.648 -9.367 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.426 -10.763 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.099 -8.340 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.170 -9.225 -9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.492 -9.541 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.178 -7.975 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.401 -7.058 -10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.896 -7.837 -11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.186 -9.899 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.680 -9.073 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.194 -8.920 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.149 -7.376 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.701 -8.176 -13.375 1.00 0.00 H new ATOM 1284 N GLU A 84 1.720 -11.504 -8.697 1.00 0.00 N ATOM 1285 CA GLU A 84 2.605 -12.495 -9.285 1.00 0.00 C ATOM 1286 C GLU A 84 2.277 -13.888 -8.743 1.00 0.00 C ATOM 1287 O GLU A 84 2.674 -14.895 -9.327 1.00 0.00 O ATOM 1288 CB GLU A 84 4.071 -12.140 -9.032 1.00 0.00 C ATOM 1289 CG GLU A 84 4.630 -11.278 -10.166 1.00 0.00 C ATOM 1290 CD GLU A 84 5.960 -11.836 -10.675 1.00 0.00 C ATOM 1291 OE1 GLU A 84 5.907 -12.834 -11.426 1.00 0.00 O ATOM 1292 OE2 GLU A 84 7.001 -11.252 -10.302 1.00 0.00 O ATOM 0 H GLU A 84 2.187 -10.802 -8.123 1.00 0.00 H new ATOM 0 HA GLU A 84 2.447 -12.500 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.162 -11.606 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.659 -13.053 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.912 -11.237 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.771 -10.256 -9.815 1.00 0.00 H new ATOM 1299 N ASP A 85 1.555 -13.901 -7.632 1.00 0.00 N ATOM 1300 CA ASP A 85 1.170 -15.153 -7.004 1.00 0.00 C ATOM 1301 C ASP A 85 -0.117 -15.668 -7.653 1.00 0.00 C ATOM 1302 O ASP A 85 -0.726 -16.618 -7.163 1.00 0.00 O ATOM 1303 CB ASP A 85 0.902 -14.961 -5.510 1.00 0.00 C ATOM 1304 CG ASP A 85 1.882 -14.032 -4.792 1.00 0.00 C ATOM 1305 OD1 ASP A 85 2.896 -13.674 -5.430 1.00 0.00 O ATOM 1306 OD2 ASP A 85 1.596 -13.701 -3.621 1.00 0.00 O ATOM 0 H ASP A 85 1.227 -13.064 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 85 1.988 -15.862 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.107 -14.567 -5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.926 -15.936 -5.024 1.00 0.00 H new ATOM 1311 N GLY A 86 -0.492 -15.019 -8.745 1.00 0.00 N ATOM 1312 CA GLY A 86 -1.695 -15.400 -9.466 1.00 0.00 C ATOM 1313 C GLY A 86 -1.493 -16.721 -10.210 1.00 0.00 C ATOM 1314 O GLY A 86 -2.397 -17.196 -10.896 1.00 0.00 O ATOM 0 H GLY A 86 0.016 -14.232 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.527 -15.495 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.962 -14.616 -10.175 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.301 -17.278 -10.050 1.00 0.00 N ATOM 1319 CA LYS A 87 0.031 -18.535 -10.699 1.00 0.00 C ATOM 1320 C LYS A 87 -1.248 -19.345 -10.916 1.00 0.00 C ATOM 1321 O LYS A 87 -1.675 -19.547 -12.052 1.00 0.00 O ATOM 1322 CB LYS A 87 1.104 -19.280 -9.904 1.00 0.00 C ATOM 1323 CG LYS A 87 2.346 -18.409 -9.708 1.00 0.00 C ATOM 1324 CD LYS A 87 3.460 -19.190 -9.008 1.00 0.00 C ATOM 1325 CE LYS A 87 4.744 -19.178 -9.840 1.00 0.00 C ATOM 1326 NZ LYS A 87 5.720 -18.221 -9.272 1.00 0.00 N ATOM 0 H LYS A 87 0.447 -16.882 -9.480 1.00 0.00 H new ATOM 0 HA LYS A 87 0.464 -18.354 -11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.704 -19.573 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.377 -20.197 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.700 -18.052 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.088 -17.529 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.654 -18.755 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.139 -20.219 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.178 -20.178 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.515 -18.905 -10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.586 -18.225 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.309 -17.266 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.952 -18.499 -8.297 1.00 0.00 H new ATOM 1340 N SER A 88 -1.825 -19.789 -9.808 1.00 0.00 N ATOM 1341 CA SER A 88 -3.047 -20.573 -9.863 1.00 0.00 C ATOM 1342 C SER A 88 -4.218 -19.687 -10.291 1.00 0.00 C ATOM 1343 O SER A 88 -4.925 -19.136 -9.449 1.00 0.00 O ATOM 1344 CB SER A 88 -3.342 -21.227 -8.511 1.00 0.00 C ATOM 1345 OG SER A 88 -3.678 -20.265 -7.515 1.00 0.00 O ATOM 0 H SER A 88 -1.468 -19.620 -8.867 1.00 0.00 H new ATOM 0 HA SER A 88 -2.913 -21.366 -10.599 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.163 -21.935 -8.622 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.471 -21.796 -8.186 1.00 0.00 H new ATOM 0 HG SER A 88 -4.401 -19.692 -7.845 1.00 0.00 H new ATOM 1351 N GLY A 89 -4.388 -19.578 -11.601 1.00 0.00 N ATOM 1352 CA GLY A 89 -5.462 -18.768 -12.151 1.00 0.00 C ATOM 1353 C GLY A 89 -4.905 -17.605 -12.974 1.00 0.00 C ATOM 1354 O GLY A 89 -4.172 -16.766 -12.452 1.00 0.00 O ATOM 0 H GLY A 89 -3.800 -20.037 -12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.105 -19.387 -12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.082 -18.382 -11.342 1.00 0.00 H new ATOM 1358 N PRO A 90 -5.283 -17.592 -14.280 1.00 0.00 N ATOM 1359 CA PRO A 90 -4.830 -16.545 -15.180 1.00 0.00 C ATOM 1360 C PRO A 90 -5.573 -15.234 -14.915 1.00 0.00 C ATOM 1361 O PRO A 90 -6.791 -15.231 -14.743 1.00 0.00 O ATOM 1362 CB PRO A 90 -5.073 -17.094 -16.576 1.00 0.00 C ATOM 1363 CG PRO A 90 -6.076 -18.224 -16.411 1.00 0.00 C ATOM 1364 CD PRO A 90 -6.150 -18.569 -14.932 1.00 0.00 C ATOM 0 HA PRO A 90 -3.778 -16.298 -15.041 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.462 -16.320 -17.238 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.146 -17.457 -17.020 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.055 -17.922 -16.782 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.769 -19.094 -16.991 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.172 -18.502 -14.560 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.810 -19.588 -14.745 1.00 0.00 H new ATOM 1372 N SER A 91 -4.809 -14.152 -14.891 1.00 0.00 N ATOM 1373 CA SER A 91 -5.380 -12.838 -14.650 1.00 0.00 C ATOM 1374 C SER A 91 -5.399 -12.029 -15.948 1.00 0.00 C ATOM 1375 O SER A 91 -6.456 -11.583 -16.391 1.00 0.00 O ATOM 1376 CB SER A 91 -4.599 -12.088 -13.569 1.00 0.00 C ATOM 1377 OG SER A 91 -5.265 -12.121 -12.309 1.00 0.00 O ATOM 0 H SER A 91 -3.799 -14.158 -15.035 1.00 0.00 H new ATOM 0 HA SER A 91 -6.403 -12.970 -14.297 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.607 -12.529 -13.467 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.457 -11.052 -13.877 1.00 0.00 H new ATOM 0 HG SER A 91 -4.734 -11.633 -11.645 1.00 0.00 H new ATOM 1383 N SER A 92 -4.216 -11.865 -16.523 1.00 0.00 N ATOM 1384 CA SER A 92 -4.083 -11.118 -17.762 1.00 0.00 C ATOM 1385 C SER A 92 -2.761 -11.470 -18.446 1.00 0.00 C ATOM 1386 O SER A 92 -2.752 -11.952 -19.577 1.00 0.00 O ATOM 1387 CB SER A 92 -4.166 -9.612 -17.509 1.00 0.00 C ATOM 1388 OG SER A 92 -4.275 -9.309 -16.120 1.00 0.00 O ATOM 0 H SER A 92 -3.341 -12.237 -16.153 1.00 0.00 H new ATOM 0 HA SER A 92 -4.908 -11.394 -18.418 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.280 -9.126 -17.918 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.026 -9.202 -18.038 1.00 0.00 H new ATOM 0 HG SER A 92 -4.324 -8.338 -16.000 1.00 0.00 H new ATOM 1394 N GLY A 93 -1.675 -11.215 -17.730 1.00 0.00 N ATOM 1395 CA GLY A 93 -0.350 -11.499 -18.254 1.00 0.00 C ATOM 1396 C GLY A 93 0.397 -12.484 -17.352 1.00 0.00 C ATOM 1397 O GLY A 93 1.624 -12.558 -17.390 1.00 0.00 O ATOM 0 H GLY A 93 -1.686 -10.815 -16.792 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.433 -11.912 -19.259 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.219 -10.573 -18.336 1.00 0.00 H new TER 1401 GLY A 93