USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 593 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 MET CE :methyl -153:sc= 0 (180deg=-0.0545) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0.121 USER MOD Set 2.2: A 5 SER OG : rot 74:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00773 USER MOD Single : A 8 SER OG : rot 163:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.534 USER MOD Single : A 58 THR OG1 : rot -120:sc= -0.0438 USER MOD Single : A 60 MET CE :methyl -178:sc= 0 (180deg=-0.012) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 67 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.17) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0134) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 11:sc= 1.17 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0639 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.782 -2.416 0.916 1.00 0.00 N ATOM 2 CA GLY A 1 -25.362 -2.776 0.962 1.00 0.00 C ATOM 3 C GLY A 1 -25.192 -4.197 0.466 1.00 0.00 C ATOM 4 O GLY A 1 -25.833 -5.118 0.979 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.904 -1.441 1.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.127 -2.487 -0.063 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.324 -3.064 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.781 -2.091 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.985 -2.686 1.981 1.00 0.00 H new ATOM 8 N SER A 2 -24.347 -4.391 -0.546 1.00 0.00 N ATOM 9 CA SER A 2 -24.097 -5.689 -1.163 1.00 0.00 C ATOM 10 C SER A 2 -23.328 -6.608 -0.216 1.00 0.00 C ATOM 11 O SER A 2 -22.320 -6.184 0.360 1.00 0.00 O ATOM 12 CB SER A 2 -23.336 -5.488 -2.488 1.00 0.00 C ATOM 13 OG SER A 2 -23.034 -4.124 -2.747 1.00 0.00 O ATOM 0 H SER A 2 -23.808 -3.634 -0.967 1.00 0.00 H new ATOM 0 HA SER A 2 -25.051 -6.172 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.410 -6.062 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.933 -5.886 -3.309 1.00 0.00 H new ATOM 0 HG SER A 2 -22.551 -4.052 -3.596 1.00 0.00 H new ATOM 19 N SER A 3 -23.800 -7.841 -0.020 1.00 0.00 N ATOM 20 CA SER A 3 -23.118 -8.787 0.851 1.00 0.00 C ATOM 21 C SER A 3 -21.809 -9.177 0.160 1.00 0.00 C ATOM 22 O SER A 3 -21.786 -9.339 -1.066 1.00 0.00 O ATOM 23 CB SER A 3 -24.037 -9.989 1.120 1.00 0.00 C ATOM 24 OG SER A 3 -23.471 -10.927 2.022 1.00 0.00 O ATOM 0 H SER A 3 -24.650 -8.202 -0.453 1.00 0.00 H new ATOM 0 HA SER A 3 -22.883 -8.356 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.985 -9.632 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.259 -10.488 0.177 1.00 0.00 H new ATOM 0 HG SER A 3 -24.097 -11.669 2.158 1.00 0.00 H new ATOM 30 N GLY A 4 -20.742 -9.375 0.938 1.00 0.00 N ATOM 31 CA GLY A 4 -19.431 -9.748 0.420 1.00 0.00 C ATOM 32 C GLY A 4 -18.781 -8.614 -0.371 1.00 0.00 C ATOM 33 O GLY A 4 -18.231 -8.860 -1.445 1.00 0.00 O ATOM 0 H GLY A 4 -20.768 -9.279 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.781 -10.030 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.531 -10.625 -0.220 1.00 0.00 H new ATOM 37 N SER A 5 -18.912 -7.370 0.103 1.00 0.00 N ATOM 38 CA SER A 5 -18.330 -6.203 -0.546 1.00 0.00 C ATOM 39 C SER A 5 -16.863 -6.062 -0.137 1.00 0.00 C ATOM 40 O SER A 5 -16.558 -5.367 0.835 1.00 0.00 O ATOM 41 CB SER A 5 -19.137 -4.951 -0.195 1.00 0.00 C ATOM 42 OG SER A 5 -20.351 -4.959 -0.923 1.00 0.00 O ATOM 0 H SER A 5 -19.429 -7.149 0.954 1.00 0.00 H new ATOM 0 HA SER A 5 -18.367 -6.328 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.341 -4.924 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.563 -4.055 -0.433 1.00 0.00 H new ATOM 0 HG SER A 5 -20.958 -5.626 -0.540 1.00 0.00 H new ATOM 48 N SER A 6 -15.970 -6.680 -0.909 1.00 0.00 N ATOM 49 CA SER A 6 -14.529 -6.685 -0.703 1.00 0.00 C ATOM 50 C SER A 6 -13.931 -5.281 -0.566 1.00 0.00 C ATOM 51 O SER A 6 -13.547 -4.878 0.535 1.00 0.00 O ATOM 52 CB SER A 6 -13.871 -7.443 -1.861 1.00 0.00 C ATOM 53 OG SER A 6 -14.499 -8.692 -2.051 1.00 0.00 O ATOM 0 H SER A 6 -16.248 -7.214 -1.732 1.00 0.00 H new ATOM 0 HA SER A 6 -14.329 -7.184 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.937 -6.853 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.811 -7.590 -1.653 1.00 0.00 H new ATOM 0 HG SER A 6 -14.070 -9.164 -2.795 1.00 0.00 H new ATOM 59 N GLY A 7 -13.951 -4.488 -1.643 1.00 0.00 N ATOM 60 CA GLY A 7 -13.373 -3.150 -1.655 1.00 0.00 C ATOM 61 C GLY A 7 -11.848 -3.264 -1.784 1.00 0.00 C ATOM 62 O GLY A 7 -11.311 -4.372 -1.839 1.00 0.00 O ATOM 0 H GLY A 7 -14.371 -4.762 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.779 -2.572 -2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.634 -2.619 -0.740 1.00 0.00 H new ATOM 66 N SER A 8 -11.141 -2.134 -1.840 1.00 0.00 N ATOM 67 CA SER A 8 -9.689 -2.142 -1.973 1.00 0.00 C ATOM 68 C SER A 8 -9.054 -0.999 -1.191 1.00 0.00 C ATOM 69 O SER A 8 -9.737 -0.026 -0.839 1.00 0.00 O ATOM 70 CB SER A 8 -9.330 -2.097 -3.459 1.00 0.00 C ATOM 71 OG SER A 8 -9.831 -0.943 -4.112 1.00 0.00 O ATOM 0 H SER A 8 -11.554 -1.202 -1.795 1.00 0.00 H new ATOM 0 HA SER A 8 -9.287 -3.060 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.246 -2.128 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.724 -2.987 -3.950 1.00 0.00 H new ATOM 0 HG SER A 8 -9.366 -0.823 -4.967 1.00 0.00 H new ATOM 77 N VAL A 9 -7.763 -1.136 -0.873 1.00 0.00 N ATOM 78 CA VAL A 9 -7.029 -0.115 -0.140 1.00 0.00 C ATOM 79 C VAL A 9 -6.802 1.080 -1.066 1.00 0.00 C ATOM 80 O VAL A 9 -6.363 0.915 -2.210 1.00 0.00 O ATOM 81 CB VAL A 9 -5.675 -0.660 0.360 1.00 0.00 C ATOM 82 CG1 VAL A 9 -4.876 0.420 1.105 1.00 0.00 C ATOM 83 CG2 VAL A 9 -5.845 -1.850 1.317 1.00 0.00 C ATOM 0 H VAL A 9 -7.206 -1.955 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.608 0.188 0.732 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.141 -0.982 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.928 0.002 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.685 1.258 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.448 0.767 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.865 -2.199 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.425 -1.538 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.366 -2.658 0.804 1.00 0.00 H new ATOM 93 N VAL A 10 -7.069 2.280 -0.558 1.00 0.00 N ATOM 94 CA VAL A 10 -6.876 3.521 -1.284 1.00 0.00 C ATOM 95 C VAL A 10 -6.214 4.538 -0.353 1.00 0.00 C ATOM 96 O VAL A 10 -6.261 4.421 0.881 1.00 0.00 O ATOM 97 CB VAL A 10 -8.188 4.043 -1.906 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.879 2.988 -2.783 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.199 4.540 -0.865 1.00 0.00 C ATOM 0 H VAL A 10 -7.431 2.414 0.386 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.215 3.343 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.877 4.887 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.797 3.404 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.213 2.698 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.118 2.113 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.098 4.893 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.458 3.724 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.760 5.357 -0.293 1.00 0.00 H new ATOM 109 N ALA A 11 -5.568 5.527 -0.959 1.00 0.00 N ATOM 110 CA ALA A 11 -4.894 6.609 -0.276 1.00 0.00 C ATOM 111 C ALA A 11 -5.976 7.499 0.328 1.00 0.00 C ATOM 112 O ALA A 11 -6.897 7.937 -0.368 1.00 0.00 O ATOM 113 CB ALA A 11 -4.037 7.375 -1.279 1.00 0.00 C ATOM 0 H ALA A 11 -5.501 5.594 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.235 6.246 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.526 8.193 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.300 6.702 -1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.673 7.779 -2.067 1.00 0.00 H new ATOM 119 N LYS A 12 -5.914 7.727 1.634 1.00 0.00 N ATOM 120 CA LYS A 12 -6.897 8.567 2.312 1.00 0.00 C ATOM 121 C LYS A 12 -6.634 10.053 2.067 1.00 0.00 C ATOM 122 O LYS A 12 -7.557 10.859 2.157 1.00 0.00 O ATOM 123 CB LYS A 12 -6.862 8.235 3.803 1.00 0.00 C ATOM 124 CG LYS A 12 -8.120 8.734 4.508 1.00 0.00 C ATOM 125 CD LYS A 12 -8.104 8.262 5.959 1.00 0.00 C ATOM 126 CE LYS A 12 -9.508 8.389 6.545 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.444 8.498 8.010 1.00 0.00 N ATOM 0 H LYS A 12 -5.194 7.343 2.246 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.889 8.362 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.770 7.157 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.982 8.689 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.166 9.822 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.009 8.358 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.767 7.227 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.400 8.858 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.004 9.266 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.106 7.522 6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.407 8.584 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.989 7.649 8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.891 9.339 8.272 1.00 0.00 H new ATOM 141 N VAL A 13 -5.379 10.410 1.814 1.00 0.00 N ATOM 142 CA VAL A 13 -4.873 11.747 1.552 1.00 0.00 C ATOM 143 C VAL A 13 -3.758 11.603 0.516 1.00 0.00 C ATOM 144 O VAL A 13 -3.324 10.483 0.241 1.00 0.00 O ATOM 145 CB VAL A 13 -4.327 12.375 2.851 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.423 12.532 3.919 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.169 11.580 3.481 1.00 0.00 C ATOM 0 H VAL A 13 -4.633 9.715 1.785 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.663 12.400 1.181 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.954 13.351 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.995 12.978 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.215 13.176 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.837 11.553 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.836 12.081 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.509 10.573 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.341 11.522 2.775 1.00 0.00 H new ATOM 157 N LYS A 14 -3.294 12.704 -0.070 1.00 0.00 N ATOM 158 CA LYS A 14 -2.208 12.682 -1.038 1.00 0.00 C ATOM 159 C LYS A 14 -0.938 12.312 -0.265 1.00 0.00 C ATOM 160 O LYS A 14 -0.563 13.060 0.641 1.00 0.00 O ATOM 161 CB LYS A 14 -2.116 14.073 -1.679 1.00 0.00 C ATOM 162 CG LYS A 14 -0.912 14.238 -2.618 1.00 0.00 C ATOM 163 CD LYS A 14 -0.771 15.713 -2.997 1.00 0.00 C ATOM 164 CE LYS A 14 0.482 15.899 -3.846 1.00 0.00 C ATOM 165 NZ LYS A 14 0.777 17.321 -4.078 1.00 0.00 N ATOM 0 H LYS A 14 -3.663 13.637 0.115 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.360 11.958 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.031 14.268 -2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.057 14.824 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.003 13.887 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.047 13.631 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.651 16.044 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.709 16.327 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.331 15.428 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.351 15.394 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.635 17.407 -4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.022 17.765 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.927 17.798 -3.166 1.00 0.00 H new ATOM 179 N ILE A 15 -0.294 11.186 -0.580 1.00 0.00 N ATOM 180 CA ILE A 15 0.921 10.723 0.093 1.00 0.00 C ATOM 181 C ILE A 15 2.104 11.037 -0.830 1.00 0.00 C ATOM 182 O ILE A 15 2.177 10.443 -1.909 1.00 0.00 O ATOM 183 CB ILE A 15 0.845 9.214 0.442 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.489 8.841 1.125 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.048 8.835 1.329 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.601 7.362 1.507 1.00 0.00 C ATOM 0 H ILE A 15 -0.607 10.560 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 15 1.043 11.238 1.046 1.00 0.00 H new ATOM 0 HB ILE A 15 0.886 8.645 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.608 9.448 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.311 9.096 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.998 7.775 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.974 9.039 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.023 9.423 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.566 7.181 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.516 6.747 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.199 7.104 2.201 1.00 0.00 H new ATOM 198 N PRO A 16 3.015 11.962 -0.484 1.00 0.00 N ATOM 199 CA PRO A 16 4.145 12.269 -1.331 1.00 0.00 C ATOM 200 C PRO A 16 5.185 11.156 -1.214 1.00 0.00 C ATOM 201 O PRO A 16 5.341 10.523 -0.164 1.00 0.00 O ATOM 202 CB PRO A 16 4.664 13.625 -0.852 1.00 0.00 C ATOM 203 CG PRO A 16 4.298 13.655 0.631 1.00 0.00 C ATOM 204 CD PRO A 16 3.077 12.736 0.738 1.00 0.00 C ATOM 0 HA PRO A 16 3.887 12.328 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.740 13.716 -1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.197 14.446 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.120 13.298 1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.065 14.667 0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.164 12.080 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.166 13.320 0.870 1.00 0.00 H new ATOM 212 N GLU A 17 5.911 10.932 -2.303 1.00 0.00 N ATOM 213 CA GLU A 17 6.964 9.931 -2.391 1.00 0.00 C ATOM 214 C GLU A 17 7.953 10.093 -1.231 1.00 0.00 C ATOM 215 O GLU A 17 8.248 11.211 -0.804 1.00 0.00 O ATOM 216 CB GLU A 17 7.658 10.080 -3.756 1.00 0.00 C ATOM 217 CG GLU A 17 8.891 9.177 -3.932 1.00 0.00 C ATOM 218 CD GLU A 17 10.192 9.740 -3.353 1.00 0.00 C ATOM 219 OE1 GLU A 17 10.436 10.960 -3.490 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.008 8.968 -2.792 1.00 0.00 O ATOM 0 H GLU A 17 5.780 11.455 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 17 6.544 8.928 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.940 9.854 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.960 11.119 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.688 8.215 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.036 8.988 -4.996 1.00 0.00 H new ATOM 227 N GLY A 18 8.496 8.979 -0.741 1.00 0.00 N ATOM 228 CA GLY A 18 9.471 8.956 0.340 1.00 0.00 C ATOM 229 C GLY A 18 8.872 8.915 1.746 1.00 0.00 C ATOM 230 O GLY A 18 9.624 8.811 2.714 1.00 0.00 O ATOM 0 H GLY A 18 8.263 8.051 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.116 8.087 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.105 9.839 0.257 1.00 0.00 H new ATOM 234 N THR A 19 7.549 8.977 1.872 1.00 0.00 N ATOM 235 CA THR A 19 6.856 8.962 3.165 1.00 0.00 C ATOM 236 C THR A 19 6.540 7.520 3.575 1.00 0.00 C ATOM 237 O THR A 19 6.385 6.657 2.704 1.00 0.00 O ATOM 238 CB THR A 19 5.566 9.804 3.048 1.00 0.00 C ATOM 239 OG1 THR A 19 5.837 11.042 2.426 1.00 0.00 O ATOM 240 CG2 THR A 19 4.914 10.135 4.393 1.00 0.00 C ATOM 0 H THR A 19 6.918 9.040 1.073 1.00 0.00 H new ATOM 0 HA THR A 19 7.493 9.394 3.937 1.00 0.00 H new ATOM 0 HB THR A 19 4.885 9.183 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.494 11.029 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.015 10.728 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.649 9.211 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.614 10.703 5.007 1.00 0.00 H new ATOM 248 N ILE A 20 6.444 7.242 4.879 1.00 0.00 N ATOM 249 CA ILE A 20 6.118 5.923 5.394 1.00 0.00 C ATOM 250 C ILE A 20 4.598 5.835 5.528 1.00 0.00 C ATOM 251 O ILE A 20 3.938 6.795 5.933 1.00 0.00 O ATOM 252 CB ILE A 20 6.831 5.694 6.739 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.358 5.873 6.592 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.509 4.330 7.376 1.00 0.00 C ATOM 255 CD1 ILE A 20 9.032 4.891 5.630 1.00 0.00 C ATOM 0 H ILE A 20 6.593 7.939 5.609 1.00 0.00 H new ATOM 0 HA ILE A 20 6.460 5.140 4.717 1.00 0.00 H new ATOM 0 HB ILE A 20 6.444 6.454 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.559 6.889 6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.818 5.770 7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.044 4.234 8.321 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.437 4.257 7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.818 3.531 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.102 5.095 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.868 3.871 5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.606 5.007 4.634 1.00 0.00 H new ATOM 267 N LEU A 21 4.030 4.674 5.211 1.00 0.00 N ATOM 268 CA LEU A 21 2.590 4.469 5.293 1.00 0.00 C ATOM 269 C LEU A 21 2.131 4.294 6.740 1.00 0.00 C ATOM 270 O LEU A 21 2.760 3.586 7.533 1.00 0.00 O ATOM 271 CB LEU A 21 2.176 3.252 4.459 1.00 0.00 C ATOM 272 CG LEU A 21 2.209 3.507 2.941 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.932 2.203 2.198 1.00 0.00 C ATOM 274 CD2 LEU A 21 1.176 4.533 2.461 1.00 0.00 C ATOM 0 H LEU A 21 4.551 3.857 4.893 1.00 0.00 H new ATOM 0 HA LEU A 21 2.106 5.359 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.838 2.419 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.169 2.950 4.747 1.00 0.00 H new ATOM 0 HG LEU A 21 3.202 3.904 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.956 2.384 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.693 1.467 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.950 1.825 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.262 4.658 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.174 4.183 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.357 5.489 2.952 1.00 0.00 H new ATOM 286 N THR A 22 0.995 4.896 7.083 1.00 0.00 N ATOM 287 CA THR A 22 0.359 4.849 8.395 1.00 0.00 C ATOM 288 C THR A 22 -1.129 4.580 8.145 1.00 0.00 C ATOM 289 O THR A 22 -1.630 4.913 7.062 1.00 0.00 O ATOM 290 CB THR A 22 0.575 6.176 9.152 1.00 0.00 C ATOM 291 OG1 THR A 22 0.029 7.259 8.425 1.00 0.00 O ATOM 292 CG2 THR A 22 2.052 6.482 9.417 1.00 0.00 C ATOM 0 H THR A 22 0.466 5.459 6.417 1.00 0.00 H new ATOM 0 HA THR A 22 0.790 4.066 9.019 1.00 0.00 H new ATOM 0 HB THR A 22 0.070 6.054 10.110 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.174 8.092 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.137 7.428 9.952 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.487 5.684 10.019 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.585 6.552 8.469 1.00 0.00 H new ATOM 300 N MET A 23 -1.870 4.008 9.107 1.00 0.00 N ATOM 301 CA MET A 23 -3.299 3.771 8.864 1.00 0.00 C ATOM 302 C MET A 23 -4.053 5.116 8.768 1.00 0.00 C ATOM 303 O MET A 23 -5.213 5.159 8.362 1.00 0.00 O ATOM 304 CB MET A 23 -3.980 2.899 9.929 1.00 0.00 C ATOM 305 CG MET A 23 -3.288 1.565 10.226 1.00 0.00 C ATOM 306 SD MET A 23 -4.372 0.312 10.979 1.00 0.00 S ATOM 307 CE MET A 23 -5.018 -0.496 9.488 1.00 0.00 C ATOM 0 H MET A 23 -1.523 3.713 10.020 1.00 0.00 H new ATOM 0 HA MET A 23 -3.348 3.223 7.923 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.044 3.470 10.855 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.002 2.696 9.609 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.881 1.166 9.297 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.445 1.747 10.892 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.703 -1.294 9.774 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.548 0.236 8.878 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.192 -0.916 8.915 1.00 0.00 H new ATOM 317 N ASP A 24 -3.420 6.230 9.155 1.00 0.00 N ATOM 318 CA ASP A 24 -4.008 7.565 9.110 1.00 0.00 C ATOM 319 C ASP A 24 -4.119 8.099 7.679 1.00 0.00 C ATOM 320 O ASP A 24 -4.903 9.017 7.421 1.00 0.00 O ATOM 321 CB ASP A 24 -3.155 8.570 9.887 1.00 0.00 C ATOM 322 CG ASP A 24 -2.973 8.232 11.360 1.00 0.00 C ATOM 323 OD1 ASP A 24 -3.898 8.474 12.170 1.00 0.00 O ATOM 324 OD2 ASP A 24 -1.869 7.760 11.713 1.00 0.00 O ATOM 0 H ASP A 24 -2.466 6.223 9.515 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.999 7.464 9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.173 8.635 9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.613 9.556 9.807 1.00 0.00 H new ATOM 329 N MET A 25 -3.344 7.534 6.750 1.00 0.00 N ATOM 330 CA MET A 25 -3.302 7.935 5.347 1.00 0.00 C ATOM 331 C MET A 25 -3.809 6.822 4.428 1.00 0.00 C ATOM 332 O MET A 25 -3.646 6.909 3.213 1.00 0.00 O ATOM 333 CB MET A 25 -1.862 8.339 4.983 1.00 0.00 C ATOM 334 CG MET A 25 -1.318 9.444 5.897 1.00 0.00 C ATOM 335 SD MET A 25 0.272 10.165 5.402 1.00 0.00 S ATOM 336 CE MET A 25 1.344 8.701 5.398 1.00 0.00 C ATOM 0 H MET A 25 -2.711 6.763 6.962 1.00 0.00 H new ATOM 0 HA MET A 25 -3.965 8.788 5.204 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.214 7.465 5.049 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.833 8.680 3.948 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.057 10.243 5.950 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.214 9.039 6.904 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.373 9.003 5.591 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.017 8.009 6.174 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.286 8.210 4.426 1.00 0.00 H new ATOM 346 N LEU A 26 -4.403 5.762 4.977 1.00 0.00 N ATOM 347 CA LEU A 26 -4.909 4.626 4.217 1.00 0.00 C ATOM 348 C LEU A 26 -6.325 4.347 4.679 1.00 0.00 C ATOM 349 O LEU A 26 -6.667 4.574 5.841 1.00 0.00 O ATOM 350 CB LEU A 26 -4.006 3.405 4.462 1.00 0.00 C ATOM 351 CG LEU A 26 -2.633 3.505 3.770 1.00 0.00 C ATOM 352 CD1 LEU A 26 -1.654 2.540 4.443 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.736 3.190 2.275 1.00 0.00 C ATOM 0 H LEU A 26 -4.547 5.670 5.983 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.909 4.841 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.855 3.285 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.517 2.509 4.109 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.271 4.528 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.682 2.609 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.551 2.802 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.031 1.521 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.750 3.270 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.117 2.177 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.415 3.898 1.800 1.00 0.00 H new ATOM 365 N THR A 27 -7.155 3.852 3.773 1.00 0.00 N ATOM 366 CA THR A 27 -8.543 3.532 4.046 1.00 0.00 C ATOM 367 C THR A 27 -8.987 2.494 3.003 1.00 0.00 C ATOM 368 O THR A 27 -8.184 2.111 2.144 1.00 0.00 O ATOM 369 CB THR A 27 -9.308 4.870 4.071 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.541 4.779 4.740 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.518 5.482 2.685 1.00 0.00 C ATOM 0 H THR A 27 -6.875 3.659 2.811 1.00 0.00 H new ATOM 0 HA THR A 27 -8.738 3.063 5.011 1.00 0.00 H new ATOM 0 HB THR A 27 -8.657 5.540 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.984 5.653 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.063 6.421 2.781 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.550 5.670 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.091 4.792 2.065 1.00 0.00 H new ATOM 379 N VAL A 28 -10.236 2.022 3.055 1.00 0.00 N ATOM 380 CA VAL A 28 -10.737 1.014 2.122 1.00 0.00 C ATOM 381 C VAL A 28 -11.990 1.531 1.430 1.00 0.00 C ATOM 382 O VAL A 28 -13.005 1.794 2.079 1.00 0.00 O ATOM 383 CB VAL A 28 -10.966 -0.323 2.855 1.00 0.00 C ATOM 384 CG1 VAL A 28 -11.484 -1.404 1.895 1.00 0.00 C ATOM 385 CG2 VAL A 28 -9.667 -0.825 3.514 1.00 0.00 C ATOM 0 H VAL A 28 -10.924 2.328 3.743 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.996 0.823 1.346 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.715 -0.137 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.635 -2.334 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.430 -1.081 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.755 -1.565 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.859 -1.769 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.905 -0.974 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.317 -0.088 4.236 1.00 0.00 H new ATOM 395 N LYS A 29 -11.909 1.760 0.118 1.00 0.00 N ATOM 396 CA LYS A 29 -13.044 2.237 -0.658 1.00 0.00 C ATOM 397 C LYS A 29 -13.914 1.012 -0.918 1.00 0.00 C ATOM 398 O LYS A 29 -13.660 0.249 -1.857 1.00 0.00 O ATOM 399 CB LYS A 29 -12.543 2.958 -1.920 1.00 0.00 C ATOM 400 CG LYS A 29 -13.664 3.641 -2.728 1.00 0.00 C ATOM 401 CD LYS A 29 -13.183 4.878 -3.508 1.00 0.00 C ATOM 402 CE LYS A 29 -11.885 4.683 -4.315 1.00 0.00 C ATOM 403 NZ LYS A 29 -12.088 4.656 -5.776 1.00 0.00 N ATOM 0 H LYS A 29 -11.059 1.620 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.647 2.983 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.806 3.708 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.032 2.239 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.089 2.921 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.464 3.936 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.974 5.186 -4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.034 5.696 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.192 5.487 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.413 3.750 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.173 4.522 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.725 3.872 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.510 5.555 -6.085 1.00 0.00 H new ATOM 417 N VAL A 30 -14.902 0.776 -0.055 1.00 0.00 N ATOM 418 CA VAL A 30 -15.828 -0.350 -0.139 1.00 0.00 C ATOM 419 C VAL A 30 -16.558 -0.242 -1.483 1.00 0.00 C ATOM 420 O VAL A 30 -17.501 0.545 -1.610 1.00 0.00 O ATOM 421 CB VAL A 30 -16.787 -0.357 1.076 1.00 0.00 C ATOM 422 CG1 VAL A 30 -17.584 -1.671 1.118 1.00 0.00 C ATOM 423 CG2 VAL A 30 -16.049 -0.182 2.416 1.00 0.00 C ATOM 0 H VAL A 30 -15.084 1.382 0.745 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.302 -1.304 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 30 -17.457 0.493 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.254 -1.663 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -18.168 -1.772 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -16.895 -2.512 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -16.770 -0.194 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -15.337 -0.997 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.517 0.769 2.417 1.00 0.00 H new ATOM 433 N GLY A 31 -16.112 -0.994 -2.497 1.00 0.00 N ATOM 434 CA GLY A 31 -16.721 -0.947 -3.815 1.00 0.00 C ATOM 435 C GLY A 31 -16.224 -1.991 -4.806 1.00 0.00 C ATOM 436 O GLY A 31 -17.071 -2.595 -5.470 1.00 0.00 O ATOM 0 H GLY A 31 -15.328 -1.642 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.799 -1.063 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.550 0.042 -4.240 1.00 0.00 H new ATOM 440 N GLU A 32 -14.913 -2.219 -4.944 1.00 0.00 N ATOM 441 CA GLU A 32 -14.374 -3.207 -5.880 1.00 0.00 C ATOM 442 C GLU A 32 -13.042 -3.757 -5.373 1.00 0.00 C ATOM 443 O GLU A 32 -12.356 -3.039 -4.654 1.00 0.00 O ATOM 444 CB GLU A 32 -14.218 -2.579 -7.282 1.00 0.00 C ATOM 445 CG GLU A 32 -13.132 -1.493 -7.406 1.00 0.00 C ATOM 446 CD GLU A 32 -13.237 -0.768 -8.747 1.00 0.00 C ATOM 447 OE1 GLU A 32 -12.839 -1.387 -9.756 1.00 0.00 O ATOM 448 OE2 GLU A 32 -13.687 0.409 -8.782 1.00 0.00 O ATOM 0 H GLU A 32 -14.199 -1.724 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.073 -4.041 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.995 -3.374 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.175 -2.147 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.234 -0.776 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.146 -1.947 -7.309 1.00 0.00 H new ATOM 455 N PRO A 33 -12.635 -4.982 -5.755 1.00 0.00 N ATOM 456 CA PRO A 33 -11.371 -5.579 -5.319 1.00 0.00 C ATOM 457 C PRO A 33 -10.151 -5.004 -6.050 1.00 0.00 C ATOM 458 O PRO A 33 -9.026 -5.407 -5.770 1.00 0.00 O ATOM 459 CB PRO A 33 -11.512 -7.071 -5.639 1.00 0.00 C ATOM 460 CG PRO A 33 -12.361 -7.047 -6.908 1.00 0.00 C ATOM 461 CD PRO A 33 -13.357 -5.930 -6.599 1.00 0.00 C ATOM 0 HA PRO A 33 -11.199 -5.374 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.545 -7.546 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.001 -7.617 -4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.765 -6.829 -7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.858 -8.001 -7.085 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.707 -5.452 -7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.237 -6.320 -6.087 1.00 0.00 H new ATOM 469 N LYS A 34 -10.343 -4.112 -7.031 1.00 0.00 N ATOM 470 CA LYS A 34 -9.246 -3.519 -7.781 1.00 0.00 C ATOM 471 C LYS A 34 -8.398 -2.700 -6.824 1.00 0.00 C ATOM 472 O LYS A 34 -8.814 -1.604 -6.448 1.00 0.00 O ATOM 473 CB LYS A 34 -9.784 -2.684 -8.956 1.00 0.00 C ATOM 474 CG LYS A 34 -8.685 -2.289 -9.959 1.00 0.00 C ATOM 475 CD LYS A 34 -7.827 -1.080 -9.585 1.00 0.00 C ATOM 476 CE LYS A 34 -8.611 0.225 -9.398 1.00 0.00 C ATOM 477 NZ LYS A 34 -9.172 0.730 -10.667 1.00 0.00 N ATOM 0 H LYS A 34 -11.265 -3.786 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.619 -4.295 -8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.557 -3.251 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.257 -1.782 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.026 -3.146 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.156 -2.089 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.292 -1.302 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.076 -0.930 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.420 0.061 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.955 0.981 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.693 1.613 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.400 0.912 -11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.819 0.021 -11.067 1.00 0.00 H new ATOM 491 N GLY A 35 -7.212 -3.195 -6.490 1.00 0.00 N ATOM 492 CA GLY A 35 -6.246 -2.581 -5.598 1.00 0.00 C ATOM 493 C GLY A 35 -5.765 -3.596 -4.582 1.00 0.00 C ATOM 494 O GLY A 35 -6.222 -4.744 -4.583 1.00 0.00 O ATOM 0 H GLY A 35 -6.883 -4.088 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.401 -2.198 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.698 -1.730 -5.089 1.00 0.00 H new ATOM 498 N TYR A 36 -4.847 -3.177 -3.714 1.00 0.00 N ATOM 499 CA TYR A 36 -4.307 -4.057 -2.690 1.00 0.00 C ATOM 500 C TYR A 36 -5.475 -4.587 -1.846 1.00 0.00 C ATOM 501 O TYR A 36 -6.344 -3.788 -1.465 1.00 0.00 O ATOM 502 CB TYR A 36 -3.261 -3.319 -1.846 1.00 0.00 C ATOM 503 CG TYR A 36 -2.232 -4.243 -1.232 1.00 0.00 C ATOM 504 CD1 TYR A 36 -2.462 -4.849 0.019 1.00 0.00 C ATOM 505 CD2 TYR A 36 -1.022 -4.478 -1.910 1.00 0.00 C ATOM 506 CE1 TYR A 36 -1.496 -5.706 0.574 1.00 0.00 C ATOM 507 CE2 TYR A 36 -0.055 -5.332 -1.357 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.301 -5.979 -0.128 1.00 0.00 C ATOM 509 OH TYR A 36 0.602 -6.876 0.357 1.00 0.00 O ATOM 0 H TYR A 36 -4.464 -2.232 -3.702 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.793 -4.905 -3.143 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.753 -2.583 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.766 -2.769 -1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.381 -4.655 0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.836 -3.999 -2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.668 -6.157 1.540 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.879 -5.494 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 36 1.363 -6.938 -0.257 1.00 0.00 H new ATOM 519 N PRO A 37 -5.529 -5.899 -1.552 1.00 0.00 N ATOM 520 CA PRO A 37 -6.609 -6.472 -0.767 1.00 0.00 C ATOM 521 C PRO A 37 -6.600 -5.841 0.629 1.00 0.00 C ATOM 522 O PRO A 37 -5.547 -5.784 1.276 1.00 0.00 O ATOM 523 CB PRO A 37 -6.379 -7.984 -0.749 1.00 0.00 C ATOM 524 CG PRO A 37 -4.889 -8.123 -1.037 1.00 0.00 C ATOM 525 CD PRO A 37 -4.582 -6.931 -1.939 1.00 0.00 C ATOM 0 HA PRO A 37 -7.595 -6.272 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.643 -8.418 0.215 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.982 -8.490 -1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.300 -8.094 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.663 -9.068 -1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.555 -6.592 -1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.696 -7.194 -2.990 1.00 0.00 H new ATOM 533 N PRO A 38 -7.752 -5.370 1.127 1.00 0.00 N ATOM 534 CA PRO A 38 -7.832 -4.741 2.433 1.00 0.00 C ATOM 535 C PRO A 38 -7.577 -5.725 3.566 1.00 0.00 C ATOM 536 O PRO A 38 -7.211 -5.299 4.657 1.00 0.00 O ATOM 537 CB PRO A 38 -9.226 -4.129 2.485 1.00 0.00 C ATOM 538 CG PRO A 38 -10.057 -5.031 1.579 1.00 0.00 C ATOM 539 CD PRO A 38 -9.056 -5.389 0.486 1.00 0.00 C ATOM 0 HA PRO A 38 -7.059 -3.984 2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.618 -4.114 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.223 -3.099 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.421 -5.914 2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.930 -4.515 1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.271 -6.371 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.100 -4.673 -0.335 1.00 0.00 H new ATOM 547 N GLU A 39 -7.701 -7.029 3.321 1.00 0.00 N ATOM 548 CA GLU A 39 -7.467 -8.015 4.355 1.00 0.00 C ATOM 549 C GLU A 39 -5.985 -8.145 4.748 1.00 0.00 C ATOM 550 O GLU A 39 -5.702 -8.763 5.772 1.00 0.00 O ATOM 551 CB GLU A 39 -8.087 -9.354 3.959 1.00 0.00 C ATOM 552 CG GLU A 39 -7.465 -10.038 2.738 1.00 0.00 C ATOM 553 CD GLU A 39 -7.782 -11.528 2.806 1.00 0.00 C ATOM 554 OE1 GLU A 39 -7.136 -12.228 3.627 1.00 0.00 O ATOM 555 OE2 GLU A 39 -8.696 -11.999 2.106 1.00 0.00 O ATOM 0 H GLU A 39 -7.962 -7.418 2.415 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.965 -7.663 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.015 -10.033 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.148 -9.199 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.863 -9.607 1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.387 -9.880 2.724 1.00 0.00 H new ATOM 562 N ASP A 40 -5.057 -7.544 3.992 1.00 0.00 N ATOM 563 CA ASP A 40 -3.603 -7.572 4.220 1.00 0.00 C ATOM 564 C ASP A 40 -3.031 -6.157 4.394 1.00 0.00 C ATOM 565 O ASP A 40 -1.809 -5.981 4.406 1.00 0.00 O ATOM 566 CB ASP A 40 -2.900 -8.301 3.057 1.00 0.00 C ATOM 567 CG ASP A 40 -2.693 -9.789 3.298 1.00 0.00 C ATOM 568 OD1 ASP A 40 -2.040 -10.173 4.298 1.00 0.00 O ATOM 569 OD2 ASP A 40 -3.091 -10.573 2.411 1.00 0.00 O ATOM 0 H ASP A 40 -5.309 -7.000 3.167 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.417 -8.116 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.488 -8.168 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.931 -7.833 2.880 1.00 0.00 H new ATOM 574 N ILE A 41 -3.901 -5.150 4.544 1.00 0.00 N ATOM 575 CA ILE A 41 -3.614 -3.720 4.716 1.00 0.00 C ATOM 576 C ILE A 41 -2.431 -3.433 5.658 1.00 0.00 C ATOM 577 O ILE A 41 -1.642 -2.527 5.377 1.00 0.00 O ATOM 578 CB ILE A 41 -4.936 -3.031 5.160 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.866 -1.491 5.110 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.423 -3.521 6.540 1.00 0.00 C ATOM 581 CD1 ILE A 41 -6.151 -0.768 5.536 1.00 0.00 C ATOM 0 H ILE A 41 -4.905 -5.329 4.549 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.278 -3.301 3.767 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.678 -3.336 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.050 -1.159 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.616 -1.187 4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.349 -3.009 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.601 -4.596 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.664 -3.305 7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.002 0.310 5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.970 -1.064 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.395 -1.035 6.564 1.00 0.00 H new ATOM 593 N PHE A 42 -2.284 -4.215 6.732 1.00 0.00 N ATOM 594 CA PHE A 42 -1.239 -4.084 7.740 1.00 0.00 C ATOM 595 C PHE A 42 0.178 -4.234 7.187 1.00 0.00 C ATOM 596 O PHE A 42 1.080 -3.551 7.663 1.00 0.00 O ATOM 597 CB PHE A 42 -1.457 -5.122 8.856 1.00 0.00 C ATOM 598 CG PHE A 42 -2.607 -4.838 9.810 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.944 -4.980 9.393 1.00 0.00 C ATOM 600 CD2 PHE A 42 -2.342 -4.463 11.140 1.00 0.00 C ATOM 601 CE1 PHE A 42 -5.003 -4.714 10.280 1.00 0.00 C ATOM 602 CE2 PHE A 42 -3.399 -4.225 12.035 1.00 0.00 C ATOM 603 CZ PHE A 42 -4.731 -4.338 11.605 1.00 0.00 C ATOM 0 H PHE A 42 -2.920 -4.988 6.927 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.320 -3.068 8.127 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.625 -6.095 8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.538 -5.200 9.438 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.159 -5.296 8.383 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.321 -4.357 11.475 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.025 -4.799 9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.186 -3.954 13.058 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.542 -4.137 12.290 1.00 0.00 H new ATOM 613 N ASN A 43 0.411 -5.090 6.187 1.00 0.00 N ATOM 614 CA ASN A 43 1.755 -5.302 5.620 1.00 0.00 C ATOM 615 C ASN A 43 2.346 -4.017 5.054 1.00 0.00 C ATOM 616 O ASN A 43 3.548 -3.758 5.139 1.00 0.00 O ATOM 617 CB ASN A 43 1.713 -6.320 4.471 1.00 0.00 C ATOM 618 CG ASN A 43 1.433 -7.726 4.964 1.00 0.00 C ATOM 619 OD1 ASN A 43 2.332 -8.428 5.422 1.00 0.00 O ATOM 620 ND2 ASN A 43 0.190 -8.147 4.889 1.00 0.00 N ATOM 0 H ASN A 43 -0.317 -5.653 5.748 1.00 0.00 H new ATOM 0 HA ASN A 43 2.372 -5.665 6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.944 -6.027 3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.665 -6.306 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.052 -9.082 5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.532 -7.539 4.503 1.00 0.00 H new ATOM 627 N LEU A 44 1.478 -3.234 4.419 1.00 0.00 N ATOM 628 CA LEU A 44 1.814 -1.976 3.784 1.00 0.00 C ATOM 629 C LEU A 44 2.094 -0.879 4.807 1.00 0.00 C ATOM 630 O LEU A 44 2.925 -0.014 4.545 1.00 0.00 O ATOM 631 CB LEU A 44 0.630 -1.582 2.897 1.00 0.00 C ATOM 632 CG LEU A 44 0.319 -2.522 1.717 1.00 0.00 C ATOM 633 CD1 LEU A 44 -0.884 -1.957 0.948 1.00 0.00 C ATOM 634 CD2 LEU A 44 1.540 -2.716 0.810 1.00 0.00 C ATOM 0 H LEU A 44 0.490 -3.471 4.333 1.00 0.00 H new ATOM 0 HA LEU A 44 2.725 -2.096 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.259 -1.514 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.817 -0.584 2.500 1.00 0.00 H new ATOM 0 HG LEU A 44 0.069 -3.513 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.118 -2.611 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.746 -1.898 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.643 -0.961 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.281 -3.385 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.851 -1.752 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.357 -3.149 1.387 1.00 0.00 H new ATOM 646 N VAL A 45 1.409 -0.880 5.952 1.00 0.00 N ATOM 647 CA VAL A 45 1.568 0.111 7.012 1.00 0.00 C ATOM 648 C VAL A 45 2.963 -0.066 7.633 1.00 0.00 C ATOM 649 O VAL A 45 3.162 -0.826 8.585 1.00 0.00 O ATOM 650 CB VAL A 45 0.366 0.020 7.981 1.00 0.00 C ATOM 651 CG1 VAL A 45 0.521 0.917 9.218 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.928 0.426 7.254 1.00 0.00 C ATOM 0 H VAL A 45 0.710 -1.590 6.171 1.00 0.00 H new ATOM 0 HA VAL A 45 1.542 1.137 6.646 1.00 0.00 H new ATOM 0 HB VAL A 45 0.324 -1.016 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.354 0.808 9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.414 0.624 9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.614 1.957 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.769 0.359 7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.836 1.450 6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.097 -0.243 6.410 1.00 0.00 H new ATOM 662 N GLY A 46 3.932 0.667 7.086 1.00 0.00 N ATOM 663 CA GLY A 46 5.337 0.675 7.476 1.00 0.00 C ATOM 664 C GLY A 46 6.281 0.726 6.274 1.00 0.00 C ATOM 665 O GLY A 46 7.487 0.875 6.468 1.00 0.00 O ATOM 0 H GLY A 46 3.744 1.307 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.527 1.534 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.552 -0.217 8.064 1.00 0.00 H new ATOM 669 N LYS A 47 5.776 0.566 5.043 1.00 0.00 N ATOM 670 CA LYS A 47 6.608 0.629 3.841 1.00 0.00 C ATOM 671 C LYS A 47 6.803 2.096 3.465 1.00 0.00 C ATOM 672 O LYS A 47 6.168 2.972 4.065 1.00 0.00 O ATOM 673 CB LYS A 47 5.942 -0.120 2.671 1.00 0.00 C ATOM 674 CG LYS A 47 5.788 -1.621 2.921 1.00 0.00 C ATOM 675 CD LYS A 47 5.402 -2.351 1.631 1.00 0.00 C ATOM 676 CE LYS A 47 5.381 -3.855 1.902 1.00 0.00 C ATOM 677 NZ LYS A 47 5.151 -4.667 0.687 1.00 0.00 N ATOM 0 H LYS A 47 4.789 0.391 4.857 1.00 0.00 H new ATOM 0 HA LYS A 47 7.568 0.154 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.959 0.313 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.534 0.032 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.722 -2.027 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.027 -1.791 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.424 -2.016 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.115 -2.120 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.329 -4.149 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.600 -4.075 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.148 -5.676 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.234 -4.412 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.909 -4.484 -0.001 1.00 0.00 H new ATOM 691 N LYS A 48 7.684 2.373 2.499 1.00 0.00 N ATOM 692 CA LYS A 48 7.960 3.713 1.994 1.00 0.00 C ATOM 693 C LYS A 48 7.396 3.777 0.578 1.00 0.00 C ATOM 694 O LYS A 48 7.523 2.808 -0.181 1.00 0.00 O ATOM 695 CB LYS A 48 9.468 4.014 2.039 1.00 0.00 C ATOM 696 CG LYS A 48 9.711 5.486 1.669 1.00 0.00 C ATOM 697 CD LYS A 48 11.132 5.989 1.948 1.00 0.00 C ATOM 698 CE LYS A 48 11.344 6.252 3.441 1.00 0.00 C ATOM 699 NZ LYS A 48 12.588 6.998 3.719 1.00 0.00 N ATOM 0 H LYS A 48 8.237 1.650 2.038 1.00 0.00 H new ATOM 0 HA LYS A 48 7.488 4.476 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.860 3.809 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.000 3.362 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.494 5.621 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.005 6.107 2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.856 5.252 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.313 6.905 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.494 6.813 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.369 5.301 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.681 7.148 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.404 6.454 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.556 7.918 3.236 1.00 0.00 H new ATOM 713 N VAL A 49 6.727 4.869 0.215 1.00 0.00 N ATOM 714 CA VAL A 49 6.160 5.012 -1.125 1.00 0.00 C ATOM 715 C VAL A 49 7.246 5.445 -2.107 1.00 0.00 C ATOM 716 O VAL A 49 8.138 6.227 -1.761 1.00 0.00 O ATOM 717 CB VAL A 49 4.978 5.989 -1.133 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.746 5.289 -0.565 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.239 7.270 -0.340 1.00 0.00 C ATOM 0 H VAL A 49 6.564 5.667 0.829 1.00 0.00 H new ATOM 0 HA VAL A 49 5.773 4.043 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 49 4.822 6.287 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.902 5.979 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.507 4.420 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.949 4.968 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.361 7.914 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.446 7.018 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.096 7.792 -0.765 1.00 0.00 H new ATOM 729 N LEU A 50 7.132 4.974 -3.347 1.00 0.00 N ATOM 730 CA LEU A 50 8.054 5.230 -4.447 1.00 0.00 C ATOM 731 C LEU A 50 7.601 6.358 -5.369 1.00 0.00 C ATOM 732 O LEU A 50 8.412 6.830 -6.166 1.00 0.00 O ATOM 733 CB LEU A 50 8.190 3.947 -5.280 1.00 0.00 C ATOM 734 CG LEU A 50 8.748 2.743 -4.501 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.791 1.533 -5.429 1.00 0.00 C ATOM 736 CD2 LEU A 50 10.148 2.999 -3.931 1.00 0.00 C ATOM 0 H LEU A 50 6.355 4.374 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 50 9.002 5.536 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.212 3.683 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.841 4.148 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 50 8.087 2.565 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.185 0.673 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.784 1.309 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.434 1.751 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.489 2.115 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.839 3.216 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.113 3.848 -3.249 1.00 0.00 H new ATOM 748 N VAL A 51 6.341 6.791 -5.285 1.00 0.00 N ATOM 749 CA VAL A 51 5.794 7.865 -6.115 1.00 0.00 C ATOM 750 C VAL A 51 4.765 8.645 -5.293 1.00 0.00 C ATOM 751 O VAL A 51 4.251 8.125 -4.297 1.00 0.00 O ATOM 752 CB VAL A 51 5.153 7.302 -7.409 1.00 0.00 C ATOM 753 CG1 VAL A 51 6.196 6.729 -8.380 1.00 0.00 C ATOM 754 CG2 VAL A 51 4.097 6.219 -7.135 1.00 0.00 C ATOM 0 H VAL A 51 5.664 6.400 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 51 6.601 8.531 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 51 4.665 8.162 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.694 6.348 -9.270 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.896 7.514 -8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.739 5.918 -7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.685 5.865 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.559 5.386 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.297 6.637 -6.525 1.00 0.00 H new ATOM 764 N THR A 52 4.488 9.891 -5.677 1.00 0.00 N ATOM 765 CA THR A 52 3.508 10.733 -5.003 1.00 0.00 C ATOM 766 C THR A 52 2.109 10.278 -5.438 1.00 0.00 C ATOM 767 O THR A 52 1.699 10.520 -6.575 1.00 0.00 O ATOM 768 CB THR A 52 3.816 12.209 -5.308 1.00 0.00 C ATOM 769 OG1 THR A 52 5.014 12.534 -4.620 1.00 0.00 O ATOM 770 CG2 THR A 52 2.720 13.190 -4.865 1.00 0.00 C ATOM 0 H THR A 52 4.942 10.345 -6.470 1.00 0.00 H new ATOM 0 HA THR A 52 3.553 10.635 -3.918 1.00 0.00 H new ATOM 0 HB THR A 52 3.893 12.311 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.246 13.471 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.018 14.207 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.787 12.948 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.575 13.112 -3.787 1.00 0.00 H new ATOM 778 N VAL A 53 1.437 9.519 -4.576 1.00 0.00 N ATOM 779 CA VAL A 53 0.089 9.007 -4.792 1.00 0.00 C ATOM 780 C VAL A 53 -0.873 10.160 -4.460 1.00 0.00 C ATOM 781 O VAL A 53 -0.627 10.934 -3.527 1.00 0.00 O ATOM 782 CB VAL A 53 -0.156 7.769 -3.897 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.613 7.319 -3.938 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.656 6.534 -4.324 1.00 0.00 C ATOM 0 H VAL A 53 1.830 9.235 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.064 8.679 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 53 0.146 8.103 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.743 6.447 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.254 8.127 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.885 7.060 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.435 5.704 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.389 6.258 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.720 6.765 -4.278 1.00 0.00 H new ATOM 794 N GLU A 54 -1.923 10.332 -5.264 1.00 0.00 N ATOM 795 CA GLU A 54 -2.920 11.366 -5.043 1.00 0.00 C ATOM 796 C GLU A 54 -3.986 10.874 -4.061 1.00 0.00 C ATOM 797 O GLU A 54 -4.030 9.706 -3.676 1.00 0.00 O ATOM 798 CB GLU A 54 -3.547 11.794 -6.375 1.00 0.00 C ATOM 799 CG GLU A 54 -2.960 13.129 -6.829 1.00 0.00 C ATOM 800 CD GLU A 54 -3.776 13.724 -7.971 1.00 0.00 C ATOM 801 OE1 GLU A 54 -5.019 13.818 -7.837 1.00 0.00 O ATOM 802 OE2 GLU A 54 -3.148 14.170 -8.965 1.00 0.00 O ATOM 0 H GLU A 54 -2.101 9.755 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.435 12.238 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.365 11.032 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.628 11.882 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.939 13.825 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.928 12.986 -7.150 1.00 0.00 H new ATOM 809 N GLU A 55 -4.846 11.781 -3.608 1.00 0.00 N ATOM 810 CA GLU A 55 -5.883 11.406 -2.671 1.00 0.00 C ATOM 811 C GLU A 55 -6.940 10.557 -3.384 1.00 0.00 C ATOM 812 O GLU A 55 -7.374 10.873 -4.499 1.00 0.00 O ATOM 813 CB GLU A 55 -6.462 12.676 -2.058 1.00 0.00 C ATOM 814 CG GLU A 55 -7.547 12.363 -1.034 1.00 0.00 C ATOM 815 CD GLU A 55 -8.135 13.654 -0.496 1.00 0.00 C ATOM 816 OE1 GLU A 55 -7.421 14.444 0.169 1.00 0.00 O ATOM 817 OE2 GLU A 55 -9.323 13.906 -0.791 1.00 0.00 O ATOM 0 H GLU A 55 -4.841 12.766 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.481 10.794 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.665 13.246 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.876 13.305 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.330 11.760 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.130 11.775 -0.217 1.00 0.00 H new ATOM 824 N ASP A 56 -7.401 9.513 -2.690 1.00 0.00 N ATOM 825 CA ASP A 56 -8.408 8.536 -3.107 1.00 0.00 C ATOM 826 C ASP A 56 -7.903 7.563 -4.173 1.00 0.00 C ATOM 827 O ASP A 56 -8.662 6.728 -4.663 1.00 0.00 O ATOM 828 CB ASP A 56 -9.730 9.226 -3.475 1.00 0.00 C ATOM 829 CG ASP A 56 -10.917 8.279 -3.335 1.00 0.00 C ATOM 830 OD1 ASP A 56 -11.203 7.882 -2.174 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.595 8.023 -4.353 1.00 0.00 O ATOM 0 H ASP A 56 -7.053 9.315 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.616 7.901 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.879 10.094 -2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.676 9.593 -4.500 1.00 0.00 H new ATOM 836 N ASP A 57 -6.619 7.652 -4.529 1.00 0.00 N ATOM 837 CA ASP A 57 -5.974 6.800 -5.521 1.00 0.00 C ATOM 838 C ASP A 57 -5.902 5.376 -4.993 1.00 0.00 C ATOM 839 O ASP A 57 -5.707 5.155 -3.792 1.00 0.00 O ATOM 840 CB ASP A 57 -4.535 7.249 -5.787 1.00 0.00 C ATOM 841 CG ASP A 57 -4.330 8.385 -6.783 1.00 0.00 C ATOM 842 OD1 ASP A 57 -5.298 9.077 -7.173 1.00 0.00 O ATOM 843 OD2 ASP A 57 -3.158 8.541 -7.210 1.00 0.00 O ATOM 0 H ASP A 57 -5.985 8.339 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.560 6.863 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.094 7.550 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.972 6.385 -6.140 1.00 0.00 H new ATOM 848 N THR A 58 -6.032 4.411 -5.894 1.00 0.00 N ATOM 849 CA THR A 58 -5.974 3.004 -5.561 1.00 0.00 C ATOM 850 C THR A 58 -4.519 2.667 -5.260 1.00 0.00 C ATOM 851 O THR A 58 -3.616 3.029 -6.027 1.00 0.00 O ATOM 852 CB THR A 58 -6.540 2.160 -6.704 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.821 2.630 -7.096 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.661 0.702 -6.271 1.00 0.00 C ATOM 0 H THR A 58 -6.182 4.591 -6.887 1.00 0.00 H new ATOM 0 HA THR A 58 -6.585 2.781 -4.686 1.00 0.00 H new ATOM 0 HB THR A 58 -5.856 2.241 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.482 1.916 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.065 0.111 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.677 0.320 -5.999 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.328 0.632 -5.412 1.00 0.00 H new ATOM 862 N ILE A 59 -4.293 2.029 -4.113 1.00 0.00 N ATOM 863 CA ILE A 59 -2.966 1.637 -3.693 1.00 0.00 C ATOM 864 C ILE A 59 -2.660 0.271 -4.287 1.00 0.00 C ATOM 865 O ILE A 59 -3.457 -0.663 -4.173 1.00 0.00 O ATOM 866 CB ILE A 59 -2.871 1.680 -2.154 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.937 3.134 -1.638 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.593 1.014 -1.621 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.859 4.061 -2.195 1.00 0.00 C ATOM 0 H ILE A 59 -5.030 1.773 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.209 2.330 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.726 1.116 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.915 3.548 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.860 3.123 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.579 1.073 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.573 -0.032 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.720 1.527 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.986 5.059 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.875 3.677 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.946 4.109 -3.280 1.00 0.00 H new ATOM 881 N MET A 60 -1.480 0.183 -4.898 1.00 0.00 N ATOM 882 CA MET A 60 -0.931 -0.997 -5.534 1.00 0.00 C ATOM 883 C MET A 60 0.438 -1.255 -4.892 1.00 0.00 C ATOM 884 O MET A 60 1.042 -0.366 -4.280 1.00 0.00 O ATOM 885 CB MET A 60 -0.774 -0.768 -7.050 1.00 0.00 C ATOM 886 CG MET A 60 -2.021 -0.269 -7.787 1.00 0.00 C ATOM 887 SD MET A 60 -3.523 -1.249 -7.585 1.00 0.00 S ATOM 888 CE MET A 60 -3.020 -2.831 -8.297 1.00 0.00 C ATOM 0 H MET A 60 -0.851 0.983 -4.962 1.00 0.00 H new ATOM 0 HA MET A 60 -1.593 -1.852 -5.398 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.029 -0.048 -7.207 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.456 -1.705 -7.508 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.230 0.748 -7.454 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.790 -0.215 -8.851 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.861 -3.525 -8.273 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.703 -2.681 -9.329 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.193 -3.243 -7.719 1.00 0.00 H new ATOM 898 N GLU A 61 0.945 -2.474 -5.031 1.00 0.00 N ATOM 899 CA GLU A 61 2.232 -2.930 -4.509 1.00 0.00 C ATOM 900 C GLU A 61 3.397 -2.328 -5.297 1.00 0.00 C ATOM 901 O GLU A 61 4.475 -2.100 -4.753 1.00 0.00 O ATOM 902 CB GLU A 61 2.314 -4.469 -4.521 1.00 0.00 C ATOM 903 CG GLU A 61 2.028 -5.172 -5.861 1.00 0.00 C ATOM 904 CD GLU A 61 0.528 -5.300 -6.142 1.00 0.00 C ATOM 905 OE1 GLU A 61 -0.115 -6.261 -5.660 1.00 0.00 O ATOM 906 OE2 GLU A 61 -0.079 -4.369 -6.720 1.00 0.00 O ATOM 0 H GLU A 61 0.448 -3.208 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 61 2.309 -2.586 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.312 -4.758 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.612 -4.852 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.500 -4.614 -6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.480 -6.164 -5.852 1.00 0.00 H new ATOM 913 N GLU A 62 3.170 -1.996 -6.564 1.00 0.00 N ATOM 914 CA GLU A 62 4.167 -1.416 -7.455 1.00 0.00 C ATOM 915 C GLU A 62 4.584 0.007 -7.039 1.00 0.00 C ATOM 916 O GLU A 62 5.599 0.517 -7.522 1.00 0.00 O ATOM 917 CB GLU A 62 3.599 -1.486 -8.881 1.00 0.00 C ATOM 918 CG GLU A 62 2.469 -0.470 -9.132 1.00 0.00 C ATOM 919 CD GLU A 62 1.542 -0.849 -10.290 1.00 0.00 C ATOM 920 OE1 GLU A 62 1.906 -1.733 -11.101 1.00 0.00 O ATOM 921 OE2 GLU A 62 0.447 -0.249 -10.402 1.00 0.00 O ATOM 0 H GLU A 62 2.262 -2.127 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 62 5.095 -1.985 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.403 -1.309 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.223 -2.492 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.876 -0.368 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.909 0.506 -9.336 1.00 0.00 H new ATOM 928 N LEU A 63 3.814 0.642 -6.147 1.00 0.00 N ATOM 929 CA LEU A 63 4.025 1.995 -5.631 1.00 0.00 C ATOM 930 C LEU A 63 4.828 1.997 -4.330 1.00 0.00 C ATOM 931 O LEU A 63 5.076 3.078 -3.788 1.00 0.00 O ATOM 932 CB LEU A 63 2.671 2.675 -5.323 1.00 0.00 C ATOM 933 CG LEU A 63 1.600 2.569 -6.430 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.245 3.056 -5.911 1.00 0.00 C ATOM 935 CD2 LEU A 63 1.968 3.331 -7.703 1.00 0.00 C ATOM 0 H LEU A 63 2.986 0.201 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 63 4.574 2.531 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.267 2.240 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.853 3.730 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 63 1.541 1.514 -6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.499 2.975 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.061 2.444 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.328 4.096 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.173 3.215 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.095 4.388 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.899 2.934 -8.108 1.00 0.00 H new ATOM 947 N VAL A 64 5.225 0.837 -3.794 1.00 0.00 N ATOM 948 CA VAL A 64 5.966 0.765 -2.538 1.00 0.00 C ATOM 949 C VAL A 64 7.256 -0.026 -2.649 1.00 0.00 C ATOM 950 O VAL A 64 7.456 -0.804 -3.581 1.00 0.00 O ATOM 951 CB VAL A 64 5.064 0.188 -1.429 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.876 1.107 -1.163 1.00 0.00 C ATOM 953 CG2 VAL A 64 4.497 -1.209 -1.715 1.00 0.00 C ATOM 0 H VAL A 64 5.041 -0.072 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 64 6.258 1.783 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 64 5.727 0.110 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.254 0.679 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.237 2.086 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.287 1.213 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.876 -1.528 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.894 -1.178 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.317 -1.914 -1.848 1.00 0.00 H new ATOM 963 N ASP A 65 8.146 0.211 -1.688 1.00 0.00 N ATOM 964 CA ASP A 65 9.437 -0.440 -1.560 1.00 0.00 C ATOM 965 C ASP A 65 9.240 -1.829 -0.923 1.00 0.00 C ATOM 966 O ASP A 65 8.115 -2.332 -0.808 1.00 0.00 O ATOM 967 CB ASP A 65 10.387 0.471 -0.758 1.00 0.00 C ATOM 968 CG ASP A 65 10.390 0.219 0.752 1.00 0.00 C ATOM 969 OD1 ASP A 65 9.332 0.360 1.409 1.00 0.00 O ATOM 970 OD2 ASP A 65 11.480 -0.088 1.283 1.00 0.00 O ATOM 0 H ASP A 65 7.975 0.892 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 65 9.899 -0.599 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.401 0.340 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.111 1.510 -0.939 1.00 0.00 H new ATOM 975 N ASN A 66 10.333 -2.503 -0.580 1.00 0.00 N ATOM 976 CA ASN A 66 10.352 -3.815 0.057 1.00 0.00 C ATOM 977 C ASN A 66 11.252 -3.676 1.281 1.00 0.00 C ATOM 978 O ASN A 66 12.366 -3.161 1.140 1.00 0.00 O ATOM 979 CB ASN A 66 10.884 -4.876 -0.913 1.00 0.00 C ATOM 980 CG ASN A 66 11.157 -6.183 -0.183 1.00 0.00 C ATOM 981 OD1 ASN A 66 12.270 -6.425 0.266 1.00 0.00 O ATOM 982 ND2 ASN A 66 10.171 -7.059 -0.050 1.00 0.00 N ATOM 0 H ASN A 66 11.269 -2.134 -0.745 1.00 0.00 H new ATOM 0 HA ASN A 66 9.352 -4.138 0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.160 -5.043 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.800 -4.519 -1.384 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.336 -7.944 0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.247 -6.848 -0.427 1.00 0.00 H new ATOM 989 N HIS A 67 10.773 -4.112 2.453 1.00 0.00 N ATOM 990 CA HIS A 67 11.499 -4.035 3.722 1.00 0.00 C ATOM 991 C HIS A 67 12.965 -4.449 3.555 1.00 0.00 C ATOM 992 O HIS A 67 13.281 -5.618 3.319 1.00 0.00 O ATOM 993 CB HIS A 67 10.782 -4.798 4.848 1.00 0.00 C ATOM 994 CG HIS A 67 10.830 -6.308 4.772 1.00 0.00 C ATOM 995 ND1 HIS A 67 11.062 -7.157 5.829 1.00 0.00 N ATOM 996 CD2 HIS A 67 10.612 -7.084 3.667 1.00 0.00 C ATOM 997 CE1 HIS A 67 10.942 -8.419 5.383 1.00 0.00 C ATOM 998 NE2 HIS A 67 10.634 -8.421 4.076 1.00 0.00 N ATOM 0 H HIS A 67 9.850 -4.537 2.545 1.00 0.00 H new ATOM 0 HA HIS A 67 11.506 -2.990 4.033 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.215 -4.490 5.800 1.00 0.00 H new ATOM 0 HB3 HIS A 67 9.737 -4.489 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.452 -6.728 2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.074 -9.304 5.988 1.00 0.00 H new ATOM 0 HE2 HIS A 67 10.452 -9.239 3.494 1.00 0.00 H new ATOM 1006 N GLY A 68 13.888 -3.497 3.680 1.00 0.00 N ATOM 1007 CA GLY A 68 15.283 -3.824 3.510 1.00 0.00 C ATOM 1008 C GLY A 68 16.170 -2.611 3.362 1.00 0.00 C ATOM 1009 O GLY A 68 15.920 -1.555 3.944 1.00 0.00 O ATOM 0 H GLY A 68 13.693 -2.519 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.619 -4.408 4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.395 -4.457 2.630 1.00 0.00 H new ATOM 1013 N LYS A 69 17.256 -2.808 2.621 1.00 0.00 N ATOM 1014 CA LYS A 69 18.260 -1.794 2.349 1.00 0.00 C ATOM 1015 C LYS A 69 18.173 -1.310 0.915 1.00 0.00 C ATOM 1016 O LYS A 69 17.535 -1.948 0.075 1.00 0.00 O ATOM 1017 CB LYS A 69 19.649 -2.394 2.641 1.00 0.00 C ATOM 1018 CG LYS A 69 20.115 -3.491 1.660 1.00 0.00 C ATOM 1019 CD LYS A 69 21.117 -2.994 0.606 1.00 0.00 C ATOM 1020 CE LYS A 69 21.578 -4.128 -0.322 1.00 0.00 C ATOM 1021 NZ LYS A 69 22.445 -5.111 0.361 1.00 0.00 N ATOM 0 H LYS A 69 17.465 -3.705 2.182 1.00 0.00 H new ATOM 0 HA LYS A 69 18.088 -0.929 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 69 20.383 -1.588 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 69 19.642 -2.810 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 69 20.571 -4.303 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.244 -3.906 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 69 20.658 -2.203 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 69 21.983 -2.558 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 69 20.704 -4.640 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 69 22.116 -3.702 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 22.795 -5.805 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 23.252 -4.619 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 21.900 -5.601 1.098 1.00 0.00 H new ATOM 1035 N LYS A 70 18.844 -0.195 0.636 1.00 0.00 N ATOM 1036 CA LYS A 70 18.921 0.396 -0.690 1.00 0.00 C ATOM 1037 C LYS A 70 20.219 1.180 -0.806 1.00 0.00 C ATOM 1038 O LYS A 70 20.836 1.488 0.219 1.00 0.00 O ATOM 1039 CB LYS A 70 17.715 1.285 -1.021 1.00 0.00 C ATOM 1040 CG LYS A 70 17.519 2.497 -0.101 1.00 0.00 C ATOM 1041 CD LYS A 70 16.670 3.566 -0.803 1.00 0.00 C ATOM 1042 CE LYS A 70 16.075 4.518 0.234 1.00 0.00 C ATOM 1043 NZ LYS A 70 14.795 4.014 0.776 1.00 0.00 N ATOM 0 H LYS A 70 19.359 0.331 1.343 1.00 0.00 H new ATOM 0 HA LYS A 70 18.904 -0.414 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.818 1.641 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.813 0.673 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.033 2.186 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.488 2.914 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.283 4.123 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.872 3.092 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.785 4.656 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.917 5.496 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.425 4.688 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.109 3.906 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.950 3.092 1.232 1.00 0.00 H new ATOM 1057 N ILE A 71 20.644 1.484 -2.027 1.00 0.00 N ATOM 1058 CA ILE A 71 21.864 2.249 -2.243 1.00 0.00 C ATOM 1059 C ILE A 71 21.551 3.746 -2.250 1.00 0.00 C ATOM 1060 O ILE A 71 20.395 4.174 -2.235 1.00 0.00 O ATOM 1061 CB ILE A 71 22.558 1.823 -3.554 1.00 0.00 C ATOM 1062 CG1 ILE A 71 21.693 2.070 -4.811 1.00 0.00 C ATOM 1063 CG2 ILE A 71 23.000 0.355 -3.458 1.00 0.00 C ATOM 1064 CD1 ILE A 71 22.545 2.309 -6.058 1.00 0.00 C ATOM 0 H ILE A 71 20.160 1.212 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 71 22.552 2.043 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 71 23.437 2.456 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 71 21.042 1.212 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 71 21.048 2.932 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 71 23.489 0.061 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 71 23.697 0.238 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 71 22.128 -0.277 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 71 21.895 2.478 -6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 71 23.177 3.183 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 71 23.171 1.436 -6.244 1.00 0.00 H new ATOM 1076 N LYS A 72 22.612 4.551 -2.236 1.00 0.00 N ATOM 1077 CA LYS A 72 22.532 5.998 -2.288 1.00 0.00 C ATOM 1078 C LYS A 72 22.344 6.327 -3.767 1.00 0.00 C ATOM 1079 O LYS A 72 23.059 5.796 -4.624 1.00 0.00 O ATOM 1080 CB LYS A 72 23.778 6.680 -1.686 1.00 0.00 C ATOM 1081 CG LYS A 72 25.145 6.077 -2.066 1.00 0.00 C ATOM 1082 CD LYS A 72 25.630 4.928 -1.167 1.00 0.00 C ATOM 1083 CE LYS A 72 25.937 5.355 0.271 1.00 0.00 C ATOM 1084 NZ LYS A 72 27.150 6.190 0.369 1.00 0.00 N ATOM 0 H LYS A 72 23.569 4.201 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 72 21.708 6.377 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 72 23.772 7.728 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.686 6.660 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 72 25.091 5.715 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 72 25.892 6.871 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 72 24.870 4.147 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 72 26.527 4.490 -1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 72 25.087 5.907 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 72 26.061 4.467 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 27.312 6.451 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 27.969 5.656 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 27.025 7.052 -0.200 1.00 0.00 H new ATOM 1098 N SER A 73 21.322 7.110 -4.081 1.00 0.00 N ATOM 1099 CA SER A 73 20.928 7.576 -5.406 1.00 0.00 C ATOM 1100 C SER A 73 19.804 8.592 -5.212 1.00 0.00 C ATOM 1101 O SER A 73 19.082 8.522 -4.210 1.00 0.00 O ATOM 1102 CB SER A 73 20.396 6.413 -6.254 1.00 0.00 C ATOM 1103 OG SER A 73 21.460 5.582 -6.682 1.00 0.00 O ATOM 0 H SER A 73 20.696 7.465 -3.359 1.00 0.00 H new ATOM 0 HA SER A 73 21.787 8.012 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 73 19.682 5.829 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 73 19.860 6.802 -7.120 1.00 0.00 H new ATOM 0 HG SER A 73 22.278 5.824 -6.200 1.00 0.00 H new ATOM 1109 N SER A 74 19.639 9.512 -6.157 1.00 0.00 N ATOM 1110 CA SER A 74 18.612 10.545 -6.134 1.00 0.00 C ATOM 1111 C SER A 74 17.637 10.291 -7.293 1.00 0.00 C ATOM 1112 O SER A 74 17.651 9.212 -7.905 1.00 0.00 O ATOM 1113 CB SER A 74 19.299 11.918 -6.193 1.00 0.00 C ATOM 1114 OG SER A 74 18.402 12.936 -5.790 1.00 0.00 O ATOM 0 H SER A 74 20.234 9.560 -6.984 1.00 0.00 H new ATOM 0 HA SER A 74 18.025 10.523 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.177 11.921 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.649 12.113 -7.207 1.00 0.00 H new ATOM 0 HG SER A 74 18.854 13.805 -5.831 1.00 0.00 H new ATOM 1120 N GLY A 75 16.745 11.246 -7.550 1.00 0.00 N ATOM 1121 CA GLY A 75 15.760 11.187 -8.619 1.00 0.00 C ATOM 1122 C GLY A 75 16.410 11.416 -9.988 1.00 0.00 C ATOM 1123 O GLY A 75 17.637 11.558 -10.084 1.00 0.00 O ATOM 0 H GLY A 75 16.689 12.105 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.265 10.216 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.990 11.940 -8.449 1.00 0.00 H new ATOM 1127 N PRO A 76 15.610 11.407 -11.064 1.00 0.00 N ATOM 1128 CA PRO A 76 16.121 11.633 -12.402 1.00 0.00 C ATOM 1129 C PRO A 76 16.605 13.082 -12.528 1.00 0.00 C ATOM 1130 O PRO A 76 16.293 13.934 -11.691 1.00 0.00 O ATOM 1131 CB PRO A 76 14.955 11.301 -13.336 1.00 0.00 C ATOM 1132 CG PRO A 76 13.699 11.522 -12.494 1.00 0.00 C ATOM 1133 CD PRO A 76 14.164 11.238 -11.066 1.00 0.00 C ATOM 0 HA PRO A 76 16.984 11.015 -12.651 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.959 11.944 -14.216 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.015 10.273 -13.693 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.322 12.539 -12.597 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.893 10.852 -12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.692 11.922 -10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.891 10.228 -10.762 1.00 0.00 H new ATOM 1141 N SER A 77 17.366 13.358 -13.584 1.00 0.00 N ATOM 1142 CA SER A 77 17.906 14.686 -13.868 1.00 0.00 C ATOM 1143 C SER A 77 17.642 15.073 -15.328 1.00 0.00 C ATOM 1144 O SER A 77 18.300 15.982 -15.840 1.00 0.00 O ATOM 1145 CB SER A 77 19.417 14.715 -13.573 1.00 0.00 C ATOM 1146 OG SER A 77 19.790 13.943 -12.442 1.00 0.00 O ATOM 0 H SER A 77 17.629 12.656 -14.276 1.00 0.00 H new ATOM 0 HA SER A 77 17.406 15.410 -13.225 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.956 14.349 -14.446 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.728 15.748 -13.416 1.00 0.00 H new ATOM 0 HG SER A 77 20.759 14.002 -12.311 1.00 0.00 H new ATOM 1152 N SER A 78 16.754 14.357 -16.023 1.00 0.00 N ATOM 1153 CA SER A 78 16.427 14.579 -17.419 1.00 0.00 C ATOM 1154 C SER A 78 14.945 14.298 -17.658 1.00 0.00 C ATOM 1155 O SER A 78 14.328 13.478 -16.969 1.00 0.00 O ATOM 1156 CB SER A 78 17.324 13.633 -18.230 1.00 0.00 C ATOM 1157 OG SER A 78 17.339 13.926 -19.609 1.00 0.00 O ATOM 0 H SER A 78 16.231 13.585 -15.610 1.00 0.00 H new ATOM 0 HA SER A 78 16.601 15.612 -17.720 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.341 13.687 -17.843 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.983 12.608 -18.087 1.00 0.00 H new ATOM 0 HG SER A 78 17.927 13.293 -20.072 1.00 0.00 H new ATOM 1163 N GLY A 79 14.391 14.955 -18.670 1.00 0.00 N ATOM 1164 CA GLY A 79 13.013 14.870 -19.096 1.00 0.00 C ATOM 1165 C GLY A 79 12.749 16.109 -19.917 1.00 0.00 C ATOM 1166 O GLY A 79 13.658 16.569 -20.644 1.00 0.00 O ATOM 0 H GLY A 79 14.932 15.600 -19.246 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.843 13.969 -19.685 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.343 14.821 -18.238 1.00 0.00 H new TER 1170 GLY A 79