USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 606 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 16 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.03) USER MOD Set 1.2: A 37 TYR OH : rot 178:sc= 1.24 USER MOD Set 2.1: A 6 THR OG1 : rot 126:sc= 0.262 USER MOD Set 2.2: A 17 GLN : amide:sc= -0.642 X(o=-0.38,f=-0.085) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0134 (180deg=0) USER MOD Single : A 2 SER OG : rot 159:sc= 1.49 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -173:sc= 0 (180deg=-0.0556) USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.16) USER MOD Single : A 10 LYS NZ :NH3+ 136:sc= 1.25 (180deg=0.974) USER MOD Single : A 11 TYR OH : rot 18:sc= 0.775 USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 0.0289 (180deg=0) USER MOD Single : A 21 SER OG : rot -79:sc= 1.16 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= 1.31 (180deg=1.24) USER MOD Single : A 34 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.514 (180deg=-1.58!) USER MOD Single : A 46 MET CE :methyl -121:sc= 0 (180deg=-0.00684) USER MOD Single : A 48 MET CE :methyl 154:sc= -1.73 (180deg=-3.77!) USER MOD Single : A 50 SER OG : rot 101:sc= 1.3 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.213 F(o=-0.91,f=-0.21) USER MOD Single : A 61 MET CE :methyl 173:sc= -0.187 (180deg=-0.386) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.29) USER MOD Single : A 66 LYS NZ :NH3+ 138:sc= 1.21 (180deg=1.1) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.12) USER MOD Single : B 12 TYR OH : rot 30:sc= -0.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.393 1.973 -6.171 1.00 10.00 N ATOM 2 CA GLY A 1 -19.352 2.949 -6.413 1.00 10.00 C ATOM 3 C GLY A 1 -18.832 3.563 -5.133 1.00 10.00 C ATOM 4 O GLY A 1 -19.597 3.801 -4.193 1.00 10.00 O ATOM 0 H1 GLY A 1 -21.101 2.025 -6.931 1.00 10.00 H new ATOM 0 H2 GLY A 1 -19.977 1.020 -6.150 1.00 10.00 H new ATOM 0 H3 GLY A 1 -20.849 2.171 -5.258 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -18.528 2.474 -6.946 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -19.739 3.736 -7.060 1.00 10.00 H new ATOM 8 N SER A 2 -17.530 3.795 -5.086 1.00 10.00 N ATOM 9 CA SER A 2 -16.901 4.389 -3.922 1.00 10.00 C ATOM 10 C SER A 2 -16.811 5.901 -4.085 1.00 10.00 C ATOM 11 O SER A 2 -16.638 6.410 -5.199 1.00 10.00 O ATOM 12 CB SER A 2 -15.504 3.795 -3.706 1.00 10.00 C ATOM 13 OG SER A 2 -14.819 4.453 -2.652 1.00 10.00 O ATOM 0 H SER A 2 -16.886 3.579 -5.847 1.00 10.00 H new ATOM 0 HA SER A 2 -17.512 4.166 -3.047 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.590 2.732 -3.479 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.925 3.878 -4.626 1.00 10.00 H new ATOM 0 HG SER A 2 -14.105 3.873 -2.314 1.00 10.00 H new ATOM 19 N HIS A 3 -16.945 6.619 -2.980 1.00 10.00 N ATOM 20 CA HIS A 3 -16.859 8.068 -3.002 1.00 10.00 C ATOM 21 C HIS A 3 -15.536 8.510 -2.392 1.00 10.00 C ATOM 22 O HIS A 3 -15.328 9.683 -2.096 1.00 10.00 O ATOM 23 CB HIS A 3 -18.034 8.693 -2.245 1.00 10.00 C ATOM 24 CG HIS A 3 -19.354 8.520 -2.937 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.742 9.353 -3.961 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.326 7.601 -2.721 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.934 8.924 -4.344 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.323 7.865 -3.623 1.00 10.00 N ATOM 0 H HIS A 3 -17.114 6.220 -2.057 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.907 8.408 -4.036 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.093 8.249 -1.251 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.842 9.757 -2.107 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.317 6.814 -1.982 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.517 9.370 -5.136 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -22.198 7.351 -3.726 1.00 10.00 H new ATOM 36 N MET A 4 -14.645 7.547 -2.210 1.00 10.00 N ATOM 37 CA MET A 4 -13.336 7.812 -1.642 1.00 10.00 C ATOM 38 C MET A 4 -12.282 7.867 -2.740 1.00 10.00 C ATOM 39 O MET A 4 -12.614 7.915 -3.926 1.00 10.00 O ATOM 40 CB MET A 4 -12.976 6.737 -0.616 1.00 10.00 C ATOM 41 CG MET A 4 -13.873 6.745 0.612 1.00 10.00 C ATOM 42 SD MET A 4 -13.974 8.371 1.389 1.00 10.00 S ATOM 43 CE MET A 4 -12.318 8.549 2.044 1.00 10.00 C ATOM 0 H MET A 4 -14.808 6.569 -2.450 1.00 10.00 H new ATOM 0 HA MET A 4 -13.365 8.779 -1.140 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.034 5.758 -1.092 1.00 10.00 H new ATOM 0 HB3 MET A 4 -11.942 6.878 -0.302 1.00 10.00 H new ATOM 0 HG2 MET A 4 -14.874 6.420 0.328 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.497 6.023 1.337 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.264 9.448 2.658 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.072 7.679 2.653 1.00 10.00 H new ATOM 0 HE3 MET A 4 -11.608 8.628 1.221 1.00 10.00 H new ATOM 53 N ALA A 5 -11.017 7.868 -2.347 1.00 10.00 N ATOM 54 CA ALA A 5 -9.921 7.925 -3.300 1.00 10.00 C ATOM 55 C ALA A 5 -9.137 6.620 -3.307 1.00 10.00 C ATOM 56 O ALA A 5 -8.809 6.074 -2.251 1.00 10.00 O ATOM 57 CB ALA A 5 -9.003 9.091 -2.970 1.00 10.00 C ATOM 0 H ALA A 5 -10.724 7.830 -1.371 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.339 8.073 -4.296 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.185 9.125 -3.690 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.567 10.023 -3.017 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.598 8.962 -1.966 1.00 10.00 H new ATOM 63 N THR A 6 -8.844 6.122 -4.495 1.00 10.00 N ATOM 64 CA THR A 6 -8.095 4.888 -4.637 1.00 10.00 C ATOM 65 C THR A 6 -6.601 5.179 -4.776 1.00 10.00 C ATOM 66 O THR A 6 -6.202 6.083 -5.510 1.00 10.00 O ATOM 67 CB THR A 6 -8.584 4.085 -5.856 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.030 4.980 -6.887 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.716 3.147 -5.468 1.00 10.00 C ATOM 0 H THR A 6 -9.115 6.556 -5.378 1.00 10.00 H new ATOM 0 HA THR A 6 -8.259 4.293 -3.738 1.00 10.00 H new ATOM 0 HB THR A 6 -7.751 3.489 -6.228 1.00 10.00 H new ATOM 0 HG1 THR A 6 -8.564 4.773 -7.724 1.00 10.00 H new ATOM 0 HG21 THR A 6 -10.045 2.591 -6.346 1.00 10.00 H new ATOM 0 HG22 THR A 6 -9.366 2.450 -4.707 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.550 3.727 -5.073 1.00 10.00 H new ATOM 77 N VAL A 7 -5.783 4.426 -4.061 1.00 10.00 N ATOM 78 CA VAL A 7 -4.341 4.615 -4.108 1.00 10.00 C ATOM 79 C VAL A 7 -3.689 3.511 -4.927 1.00 10.00 C ATOM 80 O VAL A 7 -3.958 2.327 -4.710 1.00 10.00 O ATOM 81 CB VAL A 7 -3.726 4.625 -2.693 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.292 5.132 -2.735 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.564 5.471 -1.742 1.00 10.00 C ATOM 0 H VAL A 7 -6.092 3.678 -3.440 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.154 5.582 -4.576 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.719 3.601 -2.321 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -1.876 5.131 -1.727 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.695 4.482 -3.374 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.276 6.146 -3.133 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.110 5.462 -0.751 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.610 6.496 -2.111 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.572 5.061 -1.683 1.00 10.00 H new ATOM 93 N LYS A 8 -2.858 3.905 -5.882 1.00 10.00 N ATOM 94 CA LYS A 8 -2.157 2.951 -6.730 1.00 10.00 C ATOM 95 C LYS A 8 -0.842 2.538 -6.084 1.00 10.00 C ATOM 96 O LYS A 8 -0.104 3.374 -5.562 1.00 10.00 O ATOM 97 CB LYS A 8 -1.895 3.546 -8.114 1.00 10.00 C ATOM 98 CG LYS A 8 -3.128 3.596 -8.999 1.00 10.00 C ATOM 99 CD LYS A 8 -2.756 3.862 -10.447 1.00 10.00 C ATOM 100 CE LYS A 8 -3.966 3.754 -11.360 1.00 10.00 C ATOM 101 NZ LYS A 8 -3.569 3.423 -12.751 1.00 10.00 N ATOM 0 H LYS A 8 -2.652 4.882 -6.089 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.788 2.070 -6.846 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.501 4.556 -7.997 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.124 2.959 -8.613 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.668 2.652 -8.927 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -3.801 4.377 -8.645 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.320 4.857 -10.535 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -1.994 3.150 -10.765 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.642 2.987 -10.981 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -4.515 4.696 -11.351 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -4.356 3.636 -13.397 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -2.739 3.989 -13.019 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.334 2.412 -12.814 1.00 10.00 H new ATOM 115 N PHE A 9 -0.559 1.250 -6.116 1.00 10.00 N ATOM 116 CA PHE A 9 0.661 0.723 -5.530 1.00 10.00 C ATOM 117 C PHE A 9 1.434 -0.103 -6.547 1.00 10.00 C ATOM 118 O PHE A 9 0.955 -0.356 -7.654 1.00 10.00 O ATOM 119 CB PHE A 9 0.337 -0.132 -4.301 1.00 10.00 C ATOM 120 CG PHE A 9 -0.284 0.639 -3.172 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.661 0.679 -3.017 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.507 1.326 -2.268 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.235 1.389 -1.980 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.060 2.037 -1.230 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.431 2.069 -1.084 1.00 10.00 C ATOM 0 H PHE A 9 -1.160 0.545 -6.544 1.00 10.00 H new ATOM 0 HA PHE A 9 1.281 1.565 -5.222 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.340 -0.934 -4.596 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.254 -0.603 -3.946 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.292 0.149 -3.715 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.581 1.306 -2.376 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.309 1.413 -1.870 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.570 2.568 -0.532 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.876 2.624 -0.271 1.00 10.00 H new ATOM 135 N LYS A 10 2.626 -0.528 -6.163 1.00 10.00 N ATOM 136 CA LYS A 10 3.469 -1.330 -7.032 1.00 10.00 C ATOM 137 C LYS A 10 3.909 -2.589 -6.298 1.00 10.00 C ATOM 138 O LYS A 10 4.901 -2.587 -5.571 1.00 10.00 O ATOM 139 CB LYS A 10 4.681 -0.519 -7.485 1.00 10.00 C ATOM 140 CG LYS A 10 5.092 -0.784 -8.922 1.00 10.00 C ATOM 141 CD LYS A 10 5.971 0.338 -9.449 1.00 10.00 C ATOM 142 CE LYS A 10 6.663 -0.040 -10.746 1.00 10.00 C ATOM 143 NZ LYS A 10 7.701 0.956 -11.119 1.00 10.00 N ATOM 0 H LYS A 10 3.033 -0.329 -5.249 1.00 10.00 H new ATOM 0 HA LYS A 10 2.902 -1.619 -7.917 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.460 0.542 -7.370 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.522 -0.743 -6.829 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.628 -1.731 -8.983 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.204 -0.880 -9.547 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.364 1.229 -9.609 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.720 0.593 -8.700 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.121 -1.023 -10.642 1.00 10.00 H new ATOM 0 HE3 LYS A 10 5.925 -0.115 -11.545 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.560 0.461 -11.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.345 1.556 -11.891 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 7.925 1.549 -10.295 1.00 10.00 H new ATOM 157 N TYR A 11 3.151 -3.654 -6.488 1.00 10.00 N ATOM 158 CA TYR A 11 3.421 -4.927 -5.841 1.00 10.00 C ATOM 159 C TYR A 11 4.356 -5.778 -6.697 1.00 10.00 C ATOM 160 O TYR A 11 3.939 -6.351 -7.704 1.00 10.00 O ATOM 161 CB TYR A 11 2.090 -5.653 -5.586 1.00 10.00 C ATOM 162 CG TYR A 11 2.202 -7.135 -5.302 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.255 -7.651 -4.559 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.238 -8.017 -5.773 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.345 -9.001 -4.296 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.323 -9.370 -5.512 1.00 10.00 C ATOM 167 CZ TYR A 11 2.381 -9.854 -4.774 1.00 10.00 C ATOM 168 OH TYR A 11 2.473 -11.199 -4.504 1.00 10.00 O ATOM 0 H TYR A 11 2.331 -3.662 -7.095 1.00 10.00 H new ATOM 0 HA TYR A 11 3.919 -4.753 -4.887 1.00 10.00 H new ATOM 0 HB2 TYR A 11 1.591 -5.176 -4.743 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.448 -5.515 -6.456 1.00 10.00 H new ATOM 0 HD1 TYR A 11 4.016 -6.984 -4.181 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.409 -7.638 -6.352 1.00 10.00 H new ATOM 0 HE1 TYR A 11 4.171 -9.386 -3.716 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.566 -10.044 -5.884 1.00 10.00 H new ATOM 0 HH TYR A 11 3.080 -11.340 -3.748 1.00 10.00 H new ATOM 178 N LYS A 12 5.627 -5.825 -6.300 1.00 10.00 N ATOM 179 CA LYS A 12 6.650 -6.606 -7.002 1.00 10.00 C ATOM 180 C LYS A 12 6.754 -6.211 -8.477 1.00 10.00 C ATOM 181 O LYS A 12 7.248 -6.980 -9.301 1.00 10.00 O ATOM 182 CB LYS A 12 6.359 -8.104 -6.879 1.00 10.00 C ATOM 183 CG LYS A 12 6.930 -8.730 -5.616 1.00 10.00 C ATOM 184 CD LYS A 12 6.574 -10.202 -5.514 1.00 10.00 C ATOM 185 CE LYS A 12 7.247 -10.852 -4.316 1.00 10.00 C ATOM 186 NZ LYS A 12 6.877 -12.286 -4.183 1.00 10.00 N ATOM 0 H LYS A 12 5.978 -5.324 -5.484 1.00 10.00 H new ATOM 0 HA LYS A 12 7.608 -6.387 -6.530 1.00 10.00 H new ATOM 0 HB2 LYS A 12 5.280 -8.259 -6.897 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.769 -8.619 -7.748 1.00 10.00 H new ATOM 0 HG2 LYS A 12 8.014 -8.616 -5.610 1.00 10.00 H new ATOM 0 HG3 LYS A 12 6.549 -8.201 -4.742 1.00 10.00 H new ATOM 0 HD2 LYS A 12 5.493 -10.312 -5.430 1.00 10.00 H new ATOM 0 HD3 LYS A 12 6.877 -10.715 -6.427 1.00 10.00 H new ATOM 0 HE2 LYS A 12 8.329 -10.764 -4.415 1.00 10.00 H new ATOM 0 HE3 LYS A 12 6.966 -10.319 -3.408 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 7.641 -12.798 -3.697 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 5.999 -12.368 -3.631 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 6.732 -12.696 -5.128 1.00 10.00 H new ATOM 200 N GLY A 13 6.297 -5.005 -8.804 1.00 10.00 N ATOM 201 CA GLY A 13 6.343 -4.541 -10.181 1.00 10.00 C ATOM 202 C GLY A 13 4.968 -4.487 -10.820 1.00 10.00 C ATOM 203 O GLY A 13 4.788 -3.892 -11.884 1.00 10.00 O ATOM 0 H GLY A 13 5.896 -4.341 -8.141 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.794 -3.549 -10.212 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.985 -5.202 -10.763 1.00 10.00 H new ATOM 207 N GLU A 14 3.998 -5.111 -10.168 1.00 10.00 N ATOM 208 CA GLU A 14 2.627 -5.136 -10.658 1.00 10.00 C ATOM 209 C GLU A 14 1.856 -3.943 -10.094 1.00 10.00 C ATOM 210 O GLU A 14 1.904 -3.678 -8.894 1.00 10.00 O ATOM 211 CB GLU A 14 1.955 -6.453 -10.253 1.00 10.00 C ATOM 212 CG GLU A 14 0.929 -6.956 -11.254 1.00 10.00 C ATOM 213 CD GLU A 14 0.589 -8.422 -11.059 1.00 10.00 C ATOM 214 OE1 GLU A 14 1.381 -9.285 -11.501 1.00 10.00 O ATOM 215 OE2 GLU A 14 -0.470 -8.723 -10.470 1.00 10.00 O ATOM 0 H GLU A 14 4.137 -5.611 -9.290 1.00 10.00 H new ATOM 0 HA GLU A 14 2.628 -5.067 -11.746 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.723 -7.215 -10.121 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.469 -6.319 -9.286 1.00 10.00 H new ATOM 0 HG2 GLU A 14 0.020 -6.362 -11.165 1.00 10.00 H new ATOM 0 HG3 GLU A 14 1.310 -6.807 -12.264 1.00 10.00 H new ATOM 222 N GLU A 15 1.156 -3.223 -10.956 1.00 10.00 N ATOM 223 CA GLU A 15 0.399 -2.056 -10.530 1.00 10.00 C ATOM 224 C GLU A 15 -0.933 -2.456 -9.911 1.00 10.00 C ATOM 225 O GLU A 15 -1.823 -2.966 -10.595 1.00 10.00 O ATOM 226 CB GLU A 15 0.158 -1.114 -11.710 1.00 10.00 C ATOM 227 CG GLU A 15 -0.522 0.191 -11.327 1.00 10.00 C ATOM 228 CD GLU A 15 -1.239 0.836 -12.492 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.569 1.220 -13.472 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.480 0.965 -12.432 1.00 10.00 O ATOM 0 H GLU A 15 1.096 -3.426 -11.954 1.00 10.00 H new ATOM 0 HA GLU A 15 0.989 -1.539 -9.773 1.00 10.00 H new ATOM 0 HB2 GLU A 15 1.113 -0.889 -12.184 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.453 -1.627 -12.453 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.236 0.003 -10.525 1.00 10.00 H new ATOM 0 HG3 GLU A 15 0.223 0.883 -10.935 1.00 10.00 H new ATOM 237 N LYS A 16 -1.066 -2.207 -8.624 1.00 10.00 N ATOM 238 CA LYS A 16 -2.288 -2.523 -7.904 1.00 10.00 C ATOM 239 C LYS A 16 -2.989 -1.237 -7.484 1.00 10.00 C ATOM 240 O LYS A 16 -2.409 -0.155 -7.578 1.00 10.00 O ATOM 241 CB LYS A 16 -1.991 -3.375 -6.669 1.00 10.00 C ATOM 242 CG LYS A 16 -2.084 -4.870 -6.914 1.00 10.00 C ATOM 243 CD LYS A 16 -2.629 -5.594 -5.690 1.00 10.00 C ATOM 244 CE LYS A 16 -2.759 -7.086 -5.928 1.00 10.00 C ATOM 245 NZ LYS A 16 -3.445 -7.765 -4.798 1.00 10.00 N ATOM 0 H LYS A 16 -0.338 -1.783 -8.049 1.00 10.00 H new ATOM 0 HA LYS A 16 -2.938 -3.093 -8.568 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -0.990 -3.138 -6.309 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.688 -3.103 -5.876 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.730 -5.062 -7.771 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.098 -5.263 -7.164 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.969 -5.418 -4.840 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.603 -5.182 -5.428 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -3.315 -7.261 -6.849 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.769 -7.520 -6.066 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.697 -8.734 -5.077 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.810 -7.796 -3.975 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -4.308 -7.240 -4.550 1.00 10.00 H new ATOM 259 N GLN A 17 -4.225 -1.354 -7.020 1.00 10.00 N ATOM 260 CA GLN A 17 -4.987 -0.194 -6.585 1.00 10.00 C ATOM 261 C GLN A 17 -5.902 -0.564 -5.427 1.00 10.00 C ATOM 262 O GLN A 17 -6.732 -1.468 -5.542 1.00 10.00 O ATOM 263 CB GLN A 17 -5.805 0.378 -7.745 1.00 10.00 C ATOM 264 CG GLN A 17 -6.403 1.741 -7.446 1.00 10.00 C ATOM 265 CD GLN A 17 -7.107 2.354 -8.645 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.148 3.573 -8.796 1.00 10.00 O ATOM 267 NE2 GLN A 17 -7.665 1.516 -9.505 1.00 10.00 N ATOM 0 H GLN A 17 -4.721 -2.241 -6.935 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.287 0.569 -6.246 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.168 0.454 -8.626 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.608 -0.317 -7.991 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.112 1.649 -6.623 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.613 2.413 -7.112 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.610 0.510 -9.346 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.150 1.876 -10.327 1.00 10.00 H new ATOM 276 N VAL A 18 -5.738 0.125 -4.311 1.00 10.00 N ATOM 277 CA VAL A 18 -6.546 -0.132 -3.128 1.00 10.00 C ATOM 278 C VAL A 18 -7.214 1.152 -2.651 1.00 10.00 C ATOM 279 O VAL A 18 -6.593 2.214 -2.635 1.00 10.00 O ATOM 280 CB VAL A 18 -5.696 -0.722 -1.975 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.572 -1.084 -0.786 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.909 -1.939 -2.445 1.00 10.00 C ATOM 0 H VAL A 18 -5.050 0.870 -4.198 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.306 -0.861 -3.407 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.987 0.043 -1.659 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.952 -1.496 0.010 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.081 -0.191 -0.424 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.311 -1.825 -1.091 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.321 -2.334 -1.617 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.600 -2.705 -2.797 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.243 -1.650 -3.258 1.00 10.00 H new ATOM 292 N ASP A 19 -8.488 1.055 -2.296 1.00 10.00 N ATOM 293 CA ASP A 19 -9.237 2.204 -1.804 1.00 10.00 C ATOM 294 C ASP A 19 -8.727 2.607 -0.421 1.00 10.00 C ATOM 295 O ASP A 19 -8.397 1.748 0.399 1.00 10.00 O ATOM 296 CB ASP A 19 -10.733 1.876 -1.743 1.00 10.00 C ATOM 297 CG ASP A 19 -11.599 3.100 -1.510 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.438 3.758 -0.463 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.461 3.388 -2.361 1.00 10.00 O ATOM 0 H ASP A 19 -9.026 0.190 -2.340 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.092 3.039 -2.490 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.033 1.398 -2.675 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.909 1.156 -0.944 1.00 10.00 H new ATOM 304 N ILE A 20 -8.667 3.908 -0.168 1.00 10.00 N ATOM 305 CA ILE A 20 -8.189 4.429 1.111 1.00 10.00 C ATOM 306 C ILE A 20 -9.052 3.939 2.284 1.00 10.00 C ATOM 307 O ILE A 20 -8.570 3.822 3.411 1.00 10.00 O ATOM 308 CB ILE A 20 -8.138 5.979 1.099 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.504 6.517 2.387 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.531 6.566 0.901 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.263 8.013 2.371 1.00 10.00 C ATOM 0 H ILE A 20 -8.945 4.628 -0.835 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.178 4.046 1.252 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.515 6.287 0.260 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.151 6.272 3.229 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.555 6.007 2.554 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.470 7.654 0.896 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -9.939 6.221 -0.049 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.181 6.243 1.714 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.813 8.319 3.315 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.591 8.265 1.550 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.211 8.533 2.236 1.00 10.00 H new ATOM 323 N SER A 21 -10.315 3.622 2.016 1.00 10.00 N ATOM 324 CA SER A 21 -11.217 3.149 3.063 1.00 10.00 C ATOM 325 C SER A 21 -10.968 1.674 3.384 1.00 10.00 C ATOM 326 O SER A 21 -11.540 1.128 4.330 1.00 10.00 O ATOM 327 CB SER A 21 -12.679 3.364 2.657 1.00 10.00 C ATOM 328 OG SER A 21 -12.949 2.789 1.391 1.00 10.00 O ATOM 0 H SER A 21 -10.736 3.683 1.089 1.00 10.00 H new ATOM 0 HA SER A 21 -11.015 3.731 3.962 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.336 2.923 3.407 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.898 4.431 2.629 1.00 10.00 H new ATOM 0 HG SER A 21 -12.624 3.386 0.685 1.00 10.00 H new ATOM 334 N LYS A 22 -10.118 1.031 2.589 1.00 10.00 N ATOM 335 CA LYS A 22 -9.791 -0.375 2.791 1.00 10.00 C ATOM 336 C LYS A 22 -8.429 -0.516 3.460 1.00 10.00 C ATOM 337 O LYS A 22 -8.066 -1.592 3.936 1.00 10.00 O ATOM 338 CB LYS A 22 -9.801 -1.122 1.456 1.00 10.00 C ATOM 339 CG LYS A 22 -11.179 -1.190 0.821 1.00 10.00 C ATOM 340 CD LYS A 22 -11.109 -1.641 -0.627 1.00 10.00 C ATOM 341 CE LYS A 22 -12.468 -1.540 -1.296 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.377 -1.676 -2.773 1.00 10.00 N ATOM 0 H LYS A 22 -9.642 1.463 1.797 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.547 -0.813 3.443 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.114 -0.631 0.767 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.428 -2.135 1.610 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.807 -1.879 1.387 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.653 -0.210 0.874 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.387 -1.028 -1.168 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.752 -2.670 -0.674 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.124 -2.316 -0.901 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.923 -0.581 -1.048 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.328 -1.601 -3.188 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.772 -0.921 -3.155 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -11.967 -2.602 -3.012 1.00 10.00 H new ATOM 356 N ILE A 23 -7.683 0.580 3.495 1.00 10.00 N ATOM 357 CA ILE A 23 -6.363 0.585 4.107 1.00 10.00 C ATOM 358 C ILE A 23 -6.480 0.571 5.628 1.00 10.00 C ATOM 359 O ILE A 23 -7.076 1.468 6.228 1.00 10.00 O ATOM 360 CB ILE A 23 -5.532 1.811 3.659 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.338 1.795 2.139 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.185 1.834 4.372 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.595 3.003 1.603 1.00 10.00 C ATOM 0 H ILE A 23 -7.971 1.478 3.106 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.847 -0.316 3.776 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.076 2.716 3.929 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.793 0.893 1.861 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.315 1.738 1.658 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.615 2.703 4.044 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.344 1.890 5.449 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.632 0.926 4.133 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.497 2.919 0.521 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.149 3.909 1.848 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.604 3.050 2.054 1.00 10.00 H new ATOM 375 N LEU A 24 -5.915 -0.456 6.243 1.00 10.00 N ATOM 376 CA LEU A 24 -5.958 -0.600 7.689 1.00 10.00 C ATOM 377 C LEU A 24 -4.881 0.249 8.354 1.00 10.00 C ATOM 378 O LEU A 24 -5.180 1.103 9.191 1.00 10.00 O ATOM 379 CB LEU A 24 -5.783 -2.067 8.084 1.00 10.00 C ATOM 380 CG LEU A 24 -6.834 -3.024 7.518 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.418 -4.469 7.748 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.193 -2.758 8.152 1.00 10.00 C ATOM 0 H LEU A 24 -5.419 -1.205 5.760 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.932 -0.253 8.033 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.798 -2.400 7.757 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.798 -2.138 9.172 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.912 -2.852 6.444 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.177 -5.136 7.339 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.465 -4.657 7.253 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.313 -4.652 8.817 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.929 -3.447 7.738 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.126 -2.903 9.230 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.498 -1.733 7.942 1.00 10.00 H new ATOM 394 N SER A 25 -3.633 0.022 7.971 1.00 10.00 N ATOM 395 CA SER A 25 -2.519 0.761 8.539 1.00 10.00 C ATOM 396 C SER A 25 -1.322 0.769 7.590 1.00 10.00 C ATOM 397 O SER A 25 -1.009 -0.242 6.956 1.00 10.00 O ATOM 398 CB SER A 25 -2.122 0.140 9.881 1.00 10.00 C ATOM 399 OG SER A 25 -2.135 -1.278 9.808 1.00 10.00 O ATOM 0 H SER A 25 -3.368 -0.669 7.269 1.00 10.00 H new ATOM 0 HA SER A 25 -2.832 1.794 8.693 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.128 0.484 10.165 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.809 0.474 10.658 1.00 10.00 H new ATOM 0 HG SER A 25 -1.877 -1.653 10.676 1.00 10.00 H new ATOM 405 N VAL A 26 -0.672 1.922 7.485 1.00 10.00 N ATOM 406 CA VAL A 26 0.499 2.074 6.634 1.00 10.00 C ATOM 407 C VAL A 26 1.756 2.199 7.493 1.00 10.00 C ATOM 408 O VAL A 26 1.738 2.862 8.533 1.00 10.00 O ATOM 409 CB VAL A 26 0.378 3.318 5.721 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.619 3.491 4.859 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.863 3.224 4.848 1.00 10.00 C ATOM 0 H VAL A 26 -0.940 2.771 7.983 1.00 10.00 H new ATOM 0 HA VAL A 26 0.567 1.188 6.002 1.00 10.00 H new ATOM 0 HB VAL A 26 0.287 4.194 6.363 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.504 4.373 4.229 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.493 3.614 5.499 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.751 2.610 4.230 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.930 4.108 4.214 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.802 2.333 4.223 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.749 3.163 5.480 1.00 10.00 H new ATOM 421 N GLY A 27 2.833 1.549 7.071 1.00 10.00 N ATOM 422 CA GLY A 27 4.076 1.610 7.815 1.00 10.00 C ATOM 423 C GLY A 27 5.278 1.786 6.913 1.00 10.00 C ATOM 424 O GLY A 27 5.385 1.130 5.874 1.00 10.00 O ATOM 0 H GLY A 27 2.868 0.980 6.225 1.00 10.00 H new ATOM 0 HA2 GLY A 27 4.032 2.437 8.524 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.193 0.697 8.398 1.00 10.00 H new ATOM 428 N ARG A 28 6.184 2.669 7.305 1.00 10.00 N ATOM 429 CA ARG A 28 7.379 2.931 6.517 1.00 10.00 C ATOM 430 C ARG A 28 8.547 2.096 7.025 1.00 10.00 C ATOM 431 O ARG A 28 9.090 2.357 8.096 1.00 10.00 O ATOM 432 CB ARG A 28 7.747 4.417 6.567 1.00 10.00 C ATOM 433 CG ARG A 28 8.839 4.806 5.579 1.00 10.00 C ATOM 434 CD ARG A 28 9.509 6.117 5.967 1.00 10.00 C ATOM 435 NE ARG A 28 10.450 6.564 4.941 1.00 10.00 N ATOM 436 CZ ARG A 28 11.676 7.026 5.182 1.00 10.00 C ATOM 437 NH1 ARG A 28 12.136 7.102 6.425 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.455 7.378 4.168 1.00 10.00 N ATOM 0 H ARG A 28 6.115 3.216 8.163 1.00 10.00 H new ATOM 0 HA ARG A 28 7.167 2.656 5.484 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.856 5.011 6.364 1.00 10.00 H new ATOM 0 HB3 ARG A 28 8.074 4.668 7.576 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.587 4.015 5.533 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.411 4.898 4.581 1.00 10.00 H new ATOM 0 HD2 ARG A 28 8.749 6.883 6.123 1.00 10.00 H new ATOM 0 HD3 ARG A 28 10.034 5.992 6.914 1.00 10.00 H new ATOM 0 HE ARG A 28 10.145 6.519 3.969 1.00 10.00 H new ATOM 0 HH11 ARG A 28 11.549 6.805 7.205 1.00 10.00 H new ATOM 0 HH12 ARG A 28 13.076 7.457 6.600 1.00 10.00 H new ATOM 0 HH21 ARG A 28 12.114 7.294 3.210 1.00 10.00 H new ATOM 0 HH22 ARG A 28 13.395 7.732 4.346 1.00 10.00 H new ATOM 452 N TYR A 29 8.927 1.088 6.258 1.00 10.00 N ATOM 453 CA TYR A 29 10.040 0.223 6.626 1.00 10.00 C ATOM 454 C TYR A 29 11.301 0.696 5.921 1.00 10.00 C ATOM 455 O TYR A 29 11.968 -0.068 5.224 1.00 10.00 O ATOM 456 CB TYR A 29 9.739 -1.228 6.249 1.00 10.00 C ATOM 457 CG TYR A 29 9.650 -2.163 7.434 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.752 -1.923 8.467 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.457 -3.290 7.513 1.00 10.00 C ATOM 460 CE1 TYR A 29 8.663 -2.779 9.546 1.00 10.00 C ATOM 461 CE2 TYR A 29 10.372 -4.152 8.592 1.00 10.00 C ATOM 462 CZ TYR A 29 9.472 -3.892 9.603 1.00 10.00 C ATOM 463 OH TYR A 29 9.381 -4.749 10.673 1.00 10.00 O ATOM 0 H TYR A 29 8.481 0.846 5.373 1.00 10.00 H new ATOM 0 HA TYR A 29 10.187 0.272 7.705 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.798 -1.263 5.700 1.00 10.00 H new ATOM 0 HB3 TYR A 29 10.516 -1.586 5.573 1.00 10.00 H new ATOM 0 HD1 TYR A 29 8.114 -1.053 8.425 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.161 -3.497 6.721 1.00 10.00 H new ATOM 0 HE1 TYR A 29 7.962 -2.577 10.342 1.00 10.00 H new ATOM 0 HE2 TYR A 29 11.007 -5.024 8.642 1.00 10.00 H new ATOM 0 HH TYR A 29 10.019 -5.484 10.559 1.00 10.00 H new ATOM 473 N GLY A 30 11.614 1.970 6.099 1.00 10.00 N ATOM 474 CA GLY A 30 12.781 2.545 5.465 1.00 10.00 C ATOM 475 C GLY A 30 12.464 3.015 4.064 1.00 10.00 C ATOM 476 O GLY A 30 11.625 3.891 3.877 1.00 10.00 O ATOM 0 H GLY A 30 11.077 2.619 6.674 1.00 10.00 H new ATOM 0 HA2 GLY A 30 13.145 3.383 6.059 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.582 1.806 5.431 1.00 10.00 H new ATOM 480 N LYS A 31 13.112 2.418 3.076 1.00 10.00 N ATOM 481 CA LYS A 31 12.882 2.791 1.685 1.00 10.00 C ATOM 482 C LYS A 31 11.726 1.993 1.087 1.00 10.00 C ATOM 483 O LYS A 31 11.326 2.219 -0.059 1.00 10.00 O ATOM 484 CB LYS A 31 14.152 2.582 0.857 1.00 10.00 C ATOM 485 CG LYS A 31 15.150 3.722 0.984 1.00 10.00 C ATOM 486 CD LYS A 31 14.615 5.000 0.359 1.00 10.00 C ATOM 487 CE LYS A 31 15.002 6.225 1.168 1.00 10.00 C ATOM 488 NZ LYS A 31 14.185 7.410 0.792 1.00 10.00 N ATOM 0 H LYS A 31 13.799 1.676 3.208 1.00 10.00 H new ATOM 0 HA LYS A 31 12.616 3.848 1.661 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.631 1.653 1.168 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.878 2.464 -0.191 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.374 3.896 2.036 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.086 3.443 0.501 1.00 10.00 H new ATOM 0 HD2 LYS A 31 15.000 5.098 -0.656 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.529 4.942 0.284 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.873 6.016 2.230 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.058 6.446 1.012 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.689 8.279 1.061 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.022 7.408 -0.235 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.271 7.373 1.287 1.00 10.00 H new ATOM 502 N LEU A 32 11.193 1.069 1.876 1.00 10.00 N ATOM 503 CA LEU A 32 10.083 0.228 1.451 1.00 10.00 C ATOM 504 C LEU A 32 8.878 0.450 2.361 1.00 10.00 C ATOM 505 O LEU A 32 8.959 0.253 3.571 1.00 10.00 O ATOM 506 CB LEU A 32 10.496 -1.250 1.477 1.00 10.00 C ATOM 507 CG LEU A 32 11.190 -1.769 0.211 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.753 -3.159 0.453 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.225 -1.769 -0.968 1.00 10.00 C ATOM 0 H LEU A 32 11.517 0.882 2.825 1.00 10.00 H new ATOM 0 HA LEU A 32 9.810 0.498 0.431 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.163 -1.407 2.325 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.606 -1.854 1.655 1.00 10.00 H new ATOM 0 HG LEU A 32 12.017 -1.102 -0.033 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.243 -3.516 -0.453 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.477 -3.122 1.267 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.943 -3.838 0.719 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.736 -2.140 -1.856 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.375 -2.413 -0.742 1.00 10.00 H new ATOM 0 HD23 LEU A 32 9.873 -0.754 -1.150 1.00 10.00 H new ATOM 521 N ILE A 33 7.771 0.883 1.778 1.00 10.00 N ATOM 522 CA ILE A 33 6.553 1.133 2.536 1.00 10.00 C ATOM 523 C ILE A 33 5.640 -0.087 2.483 1.00 10.00 C ATOM 524 O ILE A 33 5.207 -0.496 1.408 1.00 10.00 O ATOM 525 CB ILE A 33 5.793 2.365 1.994 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.717 3.584 1.949 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.572 2.657 2.853 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.129 4.765 1.208 1.00 10.00 C ATOM 0 H ILE A 33 7.690 1.069 0.778 1.00 10.00 H new ATOM 0 HA ILE A 33 6.842 1.332 3.568 1.00 10.00 H new ATOM 0 HB ILE A 33 5.458 2.146 0.980 1.00 10.00 H new ATOM 0 HG12 ILE A 33 6.954 3.887 2.969 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.656 3.300 1.475 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.049 3.527 2.457 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.904 1.796 2.841 1.00 10.00 H new ATOM 0 HG23 ILE A 33 4.887 2.858 3.877 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.840 5.591 1.217 1.00 10.00 H new ATOM 0 HD12 ILE A 33 5.918 4.480 0.177 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.205 5.076 1.695 1.00 10.00 H new ATOM 540 N HIS A 34 5.353 -0.658 3.640 1.00 10.00 N ATOM 541 CA HIS A 34 4.507 -1.838 3.725 1.00 10.00 C ATOM 542 C HIS A 34 3.225 -1.515 4.492 1.00 10.00 C ATOM 543 O HIS A 34 3.271 -1.025 5.623 1.00 10.00 O ATOM 544 CB HIS A 34 5.280 -2.974 4.405 1.00 10.00 C ATOM 545 CG HIS A 34 4.498 -4.240 4.585 1.00 10.00 C ATOM 546 ND1 HIS A 34 4.280 -5.170 3.588 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.890 -4.735 5.693 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.570 -6.173 4.110 1.00 10.00 C ATOM 549 NE2 HIS A 34 3.305 -5.958 5.386 1.00 10.00 N ATOM 0 H HIS A 34 5.696 -0.321 4.540 1.00 10.00 H new ATOM 0 HA HIS A 34 4.227 -2.157 2.721 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.171 -3.193 3.816 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.620 -2.631 5.382 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.865 -4.255 6.660 1.00 10.00 H new ATOM 0 HE1 HIS A 34 3.253 -7.047 3.560 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.780 -6.564 6.016 1.00 10.00 H new ATOM 557 N PHE A 35 2.088 -1.792 3.875 1.00 10.00 N ATOM 558 CA PHE A 35 0.796 -1.518 4.489 1.00 10.00 C ATOM 559 C PHE A 35 -0.111 -2.742 4.431 1.00 10.00 C ATOM 560 O PHE A 35 0.116 -3.659 3.642 1.00 10.00 O ATOM 561 CB PHE A 35 0.117 -0.330 3.789 1.00 10.00 C ATOM 562 CG PHE A 35 -0.539 -0.684 2.481 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.920 -0.736 2.376 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.224 -0.969 1.360 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.526 -1.068 1.179 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.378 -1.303 0.161 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.754 -1.352 0.072 1.00 10.00 C ATOM 0 H PHE A 35 2.032 -2.208 2.945 1.00 10.00 H new ATOM 0 HA PHE A 35 0.967 -1.268 5.536 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.633 0.092 4.458 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.860 0.448 3.612 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.530 -0.515 3.240 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.301 -0.930 1.424 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.603 -1.105 1.111 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.228 -1.525 -0.705 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.226 -1.613 -0.864 1.00 10.00 H new ATOM 577 N LEU A 36 -1.132 -2.742 5.275 1.00 10.00 N ATOM 578 CA LEU A 36 -2.099 -3.829 5.326 1.00 10.00 C ATOM 579 C LEU A 36 -3.467 -3.304 4.918 1.00 10.00 C ATOM 580 O LEU A 36 -3.860 -2.209 5.331 1.00 10.00 O ATOM 581 CB LEU A 36 -2.171 -4.420 6.739 1.00 10.00 C ATOM 582 CG LEU A 36 -0.840 -4.895 7.322 1.00 10.00 C ATOM 583 CD1 LEU A 36 -1.004 -5.264 8.787 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.298 -6.078 6.534 1.00 10.00 C ATOM 0 H LEU A 36 -1.313 -1.992 5.942 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.785 -4.615 4.638 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.593 -3.669 7.407 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.864 -5.262 6.727 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.123 -4.077 7.247 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.047 -5.600 9.187 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.345 -4.392 9.346 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.738 -6.065 8.881 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.650 -6.400 6.966 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.013 -6.900 6.574 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.142 -5.783 5.496 1.00 10.00 H new ATOM 596 N TYR A 37 -4.189 -4.062 4.108 1.00 10.00 N ATOM 597 CA TYR A 37 -5.506 -3.633 3.668 1.00 10.00 C ATOM 598 C TYR A 37 -6.520 -4.760 3.789 1.00 10.00 C ATOM 599 O TYR A 37 -6.187 -5.932 3.617 1.00 10.00 O ATOM 600 CB TYR A 37 -5.456 -3.103 2.226 1.00 10.00 C ATOM 601 CG TYR A 37 -5.213 -4.155 1.151 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.279 -4.799 0.526 1.00 10.00 C ATOM 603 CD2 TYR A 37 -3.923 -4.493 0.751 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.067 -5.747 -0.458 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.707 -5.444 -0.234 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.780 -6.065 -0.834 1.00 10.00 C ATOM 607 OH TYR A 37 -4.569 -7.007 -1.815 1.00 10.00 O ATOM 0 H TYR A 37 -3.890 -4.967 3.746 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.826 -2.821 4.321 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.397 -2.598 2.010 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.669 -2.352 2.160 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.290 -4.553 0.816 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.078 -4.007 1.215 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.906 -6.236 -0.930 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.700 -5.697 -0.530 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.608 -7.092 -1.986 1.00 10.00 H new ATOM 617 N ASP A 38 -7.757 -4.393 4.084 1.00 10.00 N ATOM 618 CA ASP A 38 -8.833 -5.362 4.230 1.00 10.00 C ATOM 619 C ASP A 38 -9.453 -5.657 2.870 1.00 10.00 C ATOM 620 O ASP A 38 -9.985 -4.763 2.211 1.00 10.00 O ATOM 621 CB ASP A 38 -9.897 -4.830 5.194 1.00 10.00 C ATOM 622 CG ASP A 38 -11.090 -5.756 5.319 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.964 -6.806 5.984 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.161 -5.433 4.766 1.00 10.00 O ATOM 0 H ASP A 38 -8.043 -3.424 4.228 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.424 -6.286 4.640 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.450 -4.685 6.178 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.236 -3.852 4.851 1.00 10.00 H new ATOM 629 N LEU A 39 -9.361 -6.905 2.441 1.00 10.00 N ATOM 630 CA LEU A 39 -9.911 -7.301 1.152 1.00 10.00 C ATOM 631 C LEU A 39 -11.363 -7.731 1.301 1.00 10.00 C ATOM 632 O LEU A 39 -12.191 -7.499 0.416 1.00 10.00 O ATOM 633 CB LEU A 39 -9.082 -8.436 0.542 1.00 10.00 C ATOM 634 CG LEU A 39 -9.425 -8.791 -0.909 1.00 10.00 C ATOM 635 CD1 LEU A 39 -8.164 -9.138 -1.681 1.00 10.00 C ATOM 636 CD2 LEU A 39 -10.408 -9.949 -0.958 1.00 10.00 C ATOM 0 H LEU A 39 -8.913 -7.659 2.962 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.870 -6.441 0.483 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.028 -8.162 0.592 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.209 -9.327 1.157 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.891 -7.922 -1.374 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -8.424 -9.388 -2.710 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -7.487 -8.284 -1.675 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.674 -9.992 -1.213 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.639 -10.186 -1.996 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.967 -10.821 -0.476 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -11.324 -9.671 -0.437 1.00 10.00 H new ATOM 648 N GLY A 40 -11.661 -8.359 2.424 1.00 10.00 N ATOM 649 CA GLY A 40 -13.004 -8.820 2.679 1.00 10.00 C ATOM 650 C GLY A 40 -13.083 -10.326 2.695 1.00 10.00 C ATOM 651 O GLY A 40 -12.174 -11.004 2.213 1.00 10.00 O ATOM 0 H GLY A 40 -10.992 -8.558 3.167 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.348 -8.427 3.636 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.675 -8.428 1.914 1.00 10.00 H new ATOM 655 N GLY A 41 -14.159 -10.856 3.253 1.00 10.00 N ATOM 656 CA GLY A 41 -14.328 -12.294 3.314 1.00 10.00 C ATOM 657 C GLY A 41 -13.626 -12.907 4.507 1.00 10.00 C ATOM 658 O GLY A 41 -13.521 -14.128 4.615 1.00 10.00 O ATOM 0 H GLY A 41 -14.920 -10.317 3.666 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.391 -12.531 3.360 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.941 -12.742 2.399 1.00 10.00 H new ATOM 662 N GLY A 42 -13.133 -12.060 5.396 1.00 10.00 N ATOM 663 CA GLY A 42 -12.448 -12.540 6.576 1.00 10.00 C ATOM 664 C GLY A 42 -10.940 -12.398 6.484 1.00 10.00 C ATOM 665 O GLY A 42 -10.262 -12.254 7.502 1.00 10.00 O ATOM 0 H GLY A 42 -13.196 -11.045 5.321 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.807 -11.991 7.447 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.700 -13.589 6.735 1.00 10.00 H new ATOM 669 N LYS A 43 -10.412 -12.430 5.266 1.00 10.00 N ATOM 670 CA LYS A 43 -8.972 -12.312 5.066 1.00 10.00 C ATOM 671 C LYS A 43 -8.593 -10.917 4.579 1.00 10.00 C ATOM 672 O LYS A 43 -9.437 -10.153 4.107 1.00 10.00 O ATOM 673 CB LYS A 43 -8.458 -13.379 4.089 1.00 10.00 C ATOM 674 CG LYS A 43 -9.155 -13.386 2.732 1.00 10.00 C ATOM 675 CD LYS A 43 -9.883 -14.700 2.478 1.00 10.00 C ATOM 676 CE LYS A 43 -8.912 -15.827 2.153 1.00 10.00 C ATOM 677 NZ LYS A 43 -8.431 -16.536 3.369 1.00 10.00 N ATOM 0 H LYS A 43 -10.954 -12.536 4.408 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.495 -12.476 6.032 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.390 -13.226 3.933 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.576 -14.360 4.548 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.866 -12.561 2.684 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.420 -13.219 1.945 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -10.470 -14.967 3.357 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.584 -14.574 1.653 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.399 -16.541 1.489 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -8.057 -15.421 1.612 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -8.206 -17.523 3.129 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -7.578 -16.064 3.731 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -9.173 -16.517 4.098 1.00 10.00 H new ATOM 691 N ALA A 44 -7.317 -10.597 4.706 1.00 10.00 N ATOM 692 CA ALA A 44 -6.803 -9.307 4.293 1.00 10.00 C ATOM 693 C ALA A 44 -5.562 -9.482 3.428 1.00 10.00 C ATOM 694 O ALA A 44 -5.066 -10.599 3.257 1.00 10.00 O ATOM 695 CB ALA A 44 -6.489 -8.457 5.515 1.00 10.00 C ATOM 0 H ALA A 44 -6.612 -11.222 5.097 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.563 -8.798 3.700 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.103 -7.489 5.195 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.397 -8.311 6.100 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.741 -8.962 6.127 1.00 10.00 H new ATOM 701 N GLY A 45 -5.066 -8.382 2.892 1.00 10.00 N ATOM 702 CA GLY A 45 -3.891 -8.428 2.055 1.00 10.00 C ATOM 703 C GLY A 45 -2.838 -7.445 2.518 1.00 10.00 C ATOM 704 O GLY A 45 -3.113 -6.590 3.367 1.00 10.00 O ATOM 0 H GLY A 45 -5.460 -7.450 3.023 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.477 -9.436 2.063 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.169 -8.206 1.025 1.00 10.00 H new ATOM 708 N MET A 46 -1.647 -7.544 1.959 1.00 10.00 N ATOM 709 CA MET A 46 -0.554 -6.659 2.331 1.00 10.00 C ATOM 710 C MET A 46 0.184 -6.181 1.089 1.00 10.00 C ATOM 711 O MET A 46 0.256 -6.901 0.093 1.00 10.00 O ATOM 712 CB MET A 46 0.407 -7.371 3.288 1.00 10.00 C ATOM 713 CG MET A 46 1.096 -8.586 2.687 1.00 10.00 C ATOM 714 SD MET A 46 2.112 -9.472 3.890 1.00 10.00 S ATOM 715 CE MET A 46 2.711 -10.828 2.887 1.00 10.00 C ATOM 0 H MET A 46 -1.409 -8.230 1.243 1.00 10.00 H new ATOM 0 HA MET A 46 -0.967 -5.790 2.843 1.00 10.00 H new ATOM 0 HB2 MET A 46 1.167 -6.662 3.617 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.145 -7.682 4.175 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.344 -9.263 2.283 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.721 -8.269 1.852 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.403 -11.774 3.333 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.296 -10.748 1.882 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.799 -10.789 2.834 1.00 10.00 H new ATOM 725 N GLY A 47 0.725 -4.973 1.148 1.00 10.00 N ATOM 726 CA GLY A 47 1.439 -4.428 0.013 1.00 10.00 C ATOM 727 C GLY A 47 2.665 -3.641 0.414 1.00 10.00 C ATOM 728 O GLY A 47 2.633 -2.867 1.375 1.00 10.00 O ATOM 0 H GLY A 47 0.682 -4.360 1.962 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.736 -5.242 -0.648 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.769 -3.783 -0.556 1.00 10.00 H new ATOM 732 N MET A 48 3.747 -3.854 -0.311 1.00 10.00 N ATOM 733 CA MET A 48 4.995 -3.162 -0.057 1.00 10.00 C ATOM 734 C MET A 48 5.463 -2.440 -1.317 1.00 10.00 C ATOM 735 O MET A 48 5.696 -3.059 -2.354 1.00 10.00 O ATOM 736 CB MET A 48 6.049 -4.161 0.418 1.00 10.00 C ATOM 737 CG MET A 48 7.352 -3.532 0.867 1.00 10.00 C ATOM 738 SD MET A 48 8.258 -4.585 2.021 1.00 10.00 S ATOM 739 CE MET A 48 8.270 -6.145 1.133 1.00 10.00 C ATOM 0 H MET A 48 3.785 -4.510 -1.091 1.00 10.00 H new ATOM 0 HA MET A 48 4.842 -2.417 0.724 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.636 -4.741 1.244 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.258 -4.862 -0.390 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.975 -3.331 -0.004 1.00 10.00 H new ATOM 0 HG3 MET A 48 7.146 -2.572 1.340 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.131 -6.736 1.447 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.354 -6.695 1.351 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.332 -5.953 0.062 1.00 10.00 H new ATOM 749 N VAL A 49 5.589 -1.128 -1.223 1.00 10.00 N ATOM 750 CA VAL A 49 6.016 -0.312 -2.350 1.00 10.00 C ATOM 751 C VAL A 49 7.143 0.628 -1.932 1.00 10.00 C ATOM 752 O VAL A 49 7.133 1.171 -0.827 1.00 10.00 O ATOM 753 CB VAL A 49 4.834 0.503 -2.933 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.278 1.476 -1.905 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.249 1.247 -4.195 1.00 10.00 C ATOM 0 H VAL A 49 5.400 -0.600 -0.371 1.00 10.00 H new ATOM 0 HA VAL A 49 6.383 -0.983 -3.126 1.00 10.00 H new ATOM 0 HB VAL A 49 4.047 -0.205 -3.195 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.450 2.034 -2.343 1.00 10.00 H new ATOM 0 HG12 VAL A 49 3.924 0.923 -1.035 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.061 2.170 -1.600 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.399 1.810 -4.582 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.063 1.933 -3.962 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.582 0.531 -4.946 1.00 10.00 H new ATOM 765 N SER A 50 8.123 0.798 -2.804 1.00 10.00 N ATOM 766 CA SER A 50 9.249 1.673 -2.528 1.00 10.00 C ATOM 767 C SER A 50 8.830 3.141 -2.630 1.00 10.00 C ATOM 768 O SER A 50 7.902 3.483 -3.369 1.00 10.00 O ATOM 769 CB SER A 50 10.382 1.361 -3.507 1.00 10.00 C ATOM 770 OG SER A 50 9.984 0.363 -4.439 1.00 10.00 O ATOM 0 H SER A 50 8.161 0.338 -3.714 1.00 10.00 H new ATOM 0 HA SER A 50 9.599 1.499 -1.510 1.00 10.00 H new ATOM 0 HB2 SER A 50 10.669 2.268 -4.039 1.00 10.00 H new ATOM 0 HB3 SER A 50 11.260 1.022 -2.958 1.00 10.00 H new ATOM 0 HG SER A 50 9.738 0.787 -5.287 1.00 10.00 H new ATOM 776 N GLU A 51 9.509 4.004 -1.880 1.00 10.00 N ATOM 777 CA GLU A 51 9.204 5.430 -1.881 1.00 10.00 C ATOM 778 C GLU A 51 9.433 6.047 -3.257 1.00 10.00 C ATOM 779 O GLU A 51 8.753 7.001 -3.638 1.00 10.00 O ATOM 780 CB GLU A 51 10.055 6.167 -0.850 1.00 10.00 C ATOM 781 CG GLU A 51 9.928 5.618 0.558 1.00 10.00 C ATOM 782 CD GLU A 51 10.509 6.558 1.590 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.744 6.738 1.610 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.735 7.129 2.386 1.00 10.00 O ATOM 0 H GLU A 51 10.276 3.739 -1.262 1.00 10.00 H new ATOM 0 HA GLU A 51 8.151 5.534 -1.621 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.100 6.119 -1.155 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.772 7.220 -0.846 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.877 5.438 0.783 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.436 4.655 0.618 1.00 10.00 H new ATOM 791 N LYS A 52 10.398 5.500 -3.992 1.00 10.00 N ATOM 792 CA LYS A 52 10.722 5.990 -5.328 1.00 10.00 C ATOM 793 C LYS A 52 9.536 5.825 -6.270 1.00 10.00 C ATOM 794 O LYS A 52 9.206 6.730 -7.041 1.00 10.00 O ATOM 795 CB LYS A 52 11.926 5.234 -5.895 1.00 10.00 C ATOM 796 CG LYS A 52 13.253 5.592 -5.242 1.00 10.00 C ATOM 797 CD LYS A 52 14.397 4.797 -5.852 1.00 10.00 C ATOM 798 CE LYS A 52 15.734 5.171 -5.238 1.00 10.00 C ATOM 799 NZ LYS A 52 16.860 4.458 -5.896 1.00 10.00 N ATOM 0 H LYS A 52 10.971 4.715 -3.683 1.00 10.00 H new ATOM 0 HA LYS A 52 10.964 7.050 -5.245 1.00 10.00 H new ATOM 0 HB2 LYS A 52 11.755 4.164 -5.781 1.00 10.00 H new ATOM 0 HB3 LYS A 52 11.995 5.433 -6.964 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.444 6.659 -5.361 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.200 5.395 -4.171 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.216 3.732 -5.708 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.429 4.973 -6.927 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.885 6.247 -5.323 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.725 4.934 -4.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.757 4.739 -5.450 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 16.729 3.432 -5.793 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 16.884 4.704 -6.906 1.00 10.00 H new ATOM 813 N ASP A 53 8.898 4.665 -6.194 1.00 10.00 N ATOM 814 CA ASP A 53 7.753 4.356 -7.037 1.00 10.00 C ATOM 815 C ASP A 53 6.529 5.147 -6.612 1.00 10.00 C ATOM 816 O ASP A 53 5.859 5.759 -7.441 1.00 10.00 O ATOM 817 CB ASP A 53 7.430 2.859 -6.982 1.00 10.00 C ATOM 818 CG ASP A 53 8.572 1.989 -7.460 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.635 1.688 -8.672 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.413 1.597 -6.625 1.00 10.00 O ATOM 0 H ASP A 53 9.158 3.917 -5.551 1.00 10.00 H new ATOM 0 HA ASP A 53 8.015 4.634 -8.058 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.176 2.585 -5.958 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.549 2.660 -7.593 1.00 10.00 H new ATOM 825 N ALA A 54 6.257 5.135 -5.312 1.00 10.00 N ATOM 826 CA ALA A 54 5.105 5.830 -4.752 1.00 10.00 C ATOM 827 C ALA A 54 5.184 7.343 -4.969 1.00 10.00 C ATOM 828 O ALA A 54 6.123 7.998 -4.514 1.00 10.00 O ATOM 829 CB ALA A 54 4.976 5.512 -3.267 1.00 10.00 C ATOM 0 H ALA A 54 6.825 4.646 -4.620 1.00 10.00 H new ATOM 0 HA ALA A 54 4.218 5.475 -5.277 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.113 6.035 -2.856 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.846 4.438 -3.135 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.877 5.835 -2.746 1.00 10.00 H new ATOM 835 N PRO A 55 4.205 7.909 -5.689 1.00 10.00 N ATOM 836 CA PRO A 55 4.144 9.352 -5.952 1.00 10.00 C ATOM 837 C PRO A 55 4.017 10.154 -4.662 1.00 10.00 C ATOM 838 O PRO A 55 3.455 9.670 -3.679 1.00 10.00 O ATOM 839 CB PRO A 55 2.881 9.515 -6.803 1.00 10.00 C ATOM 840 CG PRO A 55 2.598 8.163 -7.355 1.00 10.00 C ATOM 841 CD PRO A 55 3.095 7.185 -6.330 1.00 10.00 C ATOM 0 HA PRO A 55 5.047 9.717 -6.442 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.047 9.876 -6.202 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.036 10.241 -7.601 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.531 8.031 -7.535 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.103 8.018 -8.310 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.317 6.923 -5.613 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.432 6.256 -6.789 1.00 10.00 H new ATOM 849 N LYS A 56 4.528 11.376 -4.669 1.00 10.00 N ATOM 850 CA LYS A 56 4.487 12.239 -3.490 1.00 10.00 C ATOM 851 C LYS A 56 3.056 12.530 -3.058 1.00 10.00 C ATOM 852 O LYS A 56 2.753 12.570 -1.864 1.00 10.00 O ATOM 853 CB LYS A 56 5.227 13.545 -3.766 1.00 10.00 C ATOM 854 CG LYS A 56 6.689 13.334 -4.103 1.00 10.00 C ATOM 855 CD LYS A 56 7.423 14.650 -4.261 1.00 10.00 C ATOM 856 CE LYS A 56 8.891 14.414 -4.560 1.00 10.00 C ATOM 857 NZ LYS A 56 9.675 15.672 -4.521 1.00 10.00 N ATOM 0 H LYS A 56 4.979 11.797 -5.481 1.00 10.00 H new ATOM 0 HA LYS A 56 4.981 11.710 -2.675 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.740 14.065 -4.591 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.150 14.192 -2.892 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.162 12.745 -3.317 1.00 10.00 H new ATOM 0 HG3 LYS A 56 6.771 12.759 -5.025 1.00 10.00 H new ATOM 0 HD2 LYS A 56 6.972 15.229 -5.066 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.323 15.239 -3.350 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.300 13.709 -3.836 1.00 10.00 H new ATOM 0 HE3 LYS A 56 8.991 13.955 -5.543 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.673 15.466 -4.731 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.302 16.336 -5.230 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.601 16.098 -3.575 1.00 10.00 H new ATOM 871 N GLU A 57 2.175 12.721 -4.032 1.00 10.00 N ATOM 872 CA GLU A 57 0.777 12.997 -3.737 1.00 10.00 C ATOM 873 C GLU A 57 0.144 11.801 -3.029 1.00 10.00 C ATOM 874 O GLU A 57 -0.553 11.957 -2.026 1.00 10.00 O ATOM 875 CB GLU A 57 0.004 13.334 -5.011 1.00 10.00 C ATOM 876 CG GLU A 57 -1.475 13.591 -4.769 1.00 10.00 C ATOM 877 CD GLU A 57 -2.170 14.177 -5.972 1.00 10.00 C ATOM 878 OE1 GLU A 57 -2.370 13.442 -6.960 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.525 15.371 -5.932 1.00 10.00 O ATOM 0 H GLU A 57 2.402 12.690 -5.026 1.00 10.00 H new ATOM 0 HA GLU A 57 0.731 13.863 -3.077 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.448 14.216 -5.474 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.111 12.513 -5.720 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.962 12.655 -4.494 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.588 14.270 -3.923 1.00 10.00 H new ATOM 886 N LEU A 58 0.411 10.605 -3.547 1.00 10.00 N ATOM 887 CA LEU A 58 -0.119 9.387 -2.947 1.00 10.00 C ATOM 888 C LEU A 58 0.533 9.158 -1.590 1.00 10.00 C ATOM 889 O LEU A 58 -0.100 8.666 -0.659 1.00 10.00 O ATOM 890 CB LEU A 58 0.107 8.180 -3.862 1.00 10.00 C ATOM 891 CG LEU A 58 -0.673 8.201 -5.183 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.617 6.837 -5.854 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.120 8.617 -4.950 1.00 10.00 C ATOM 0 H LEU A 58 0.987 10.455 -4.375 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.194 9.505 -2.812 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.171 8.112 -4.089 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.161 7.276 -3.316 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.208 8.934 -5.842 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.175 6.869 -6.790 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.421 6.575 -6.059 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.057 6.089 -5.195 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.654 8.625 -5.900 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.597 7.910 -4.272 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.146 9.614 -4.511 1.00 10.00 H new ATOM 905 N LEU A 59 1.804 9.537 -1.485 1.00 10.00 N ATOM 906 CA LEU A 59 2.542 9.408 -0.235 1.00 10.00 C ATOM 907 C LEU A 59 1.880 10.260 0.838 1.00 10.00 C ATOM 908 O LEU A 59 1.737 9.830 1.976 1.00 10.00 O ATOM 909 CB LEU A 59 4.002 9.834 -0.418 1.00 10.00 C ATOM 910 CG LEU A 59 4.831 9.867 0.868 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.012 8.464 1.431 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.181 10.521 0.617 1.00 10.00 C ATOM 0 H LEU A 59 2.344 9.936 -2.253 1.00 10.00 H new ATOM 0 HA LEU A 59 2.529 8.362 0.072 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.478 9.152 -1.122 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.022 10.825 -0.871 1.00 10.00 H new ATOM 0 HG LEU A 59 4.292 10.462 1.605 1.00 10.00 H new ATOM 0 HD11 LEU A 59 5.604 8.512 2.345 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.036 8.033 1.653 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.525 7.841 0.698 1.00 10.00 H new ATOM 0 HD21 LEU A 59 6.756 10.535 1.543 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.725 9.955 -0.139 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.031 11.542 0.267 1.00 10.00 H new ATOM 924 N GLN A 60 1.458 11.459 0.455 1.00 10.00 N ATOM 925 CA GLN A 60 0.788 12.369 1.375 1.00 10.00 C ATOM 926 C GLN A 60 -0.479 11.715 1.927 1.00 10.00 C ATOM 927 O GLN A 60 -0.858 11.930 3.080 1.00 10.00 O ATOM 928 CB GLN A 60 0.446 13.682 0.666 1.00 10.00 C ATOM 929 CG GLN A 60 -0.170 14.730 1.580 1.00 10.00 C ATOM 930 CD GLN A 60 0.761 15.168 2.693 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.051 15.222 2.404 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 0.320 15.467 3.804 1.00 10.00 N flip ATOM 0 H GLN A 60 1.569 11.825 -0.491 1.00 10.00 H new ATOM 0 HA GLN A 60 1.459 12.589 2.206 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.353 14.090 0.220 1.00 10.00 H new ATOM 0 HB3 GLN A 60 -0.245 13.474 -0.151 1.00 10.00 H new ATOM 0 HG2 GLN A 60 -0.453 15.600 0.987 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -1.086 14.330 2.016 1.00 10.00 H new ATOM 0 HE21 GLN A 60 -0.682 15.412 3.987 1.00 10.00 H new ATOM 0 HE22 GLN A 60 0.957 15.770 4.541 1.00 10.00 H new ATOM 941 N MET A 61 -1.116 10.902 1.097 1.00 10.00 N ATOM 942 CA MET A 61 -2.324 10.194 1.490 1.00 10.00 C ATOM 943 C MET A 61 -1.962 9.020 2.396 1.00 10.00 C ATOM 944 O MET A 61 -2.713 8.661 3.304 1.00 10.00 O ATOM 945 CB MET A 61 -3.078 9.693 0.256 1.00 10.00 C ATOM 946 CG MET A 61 -3.480 10.803 -0.706 1.00 10.00 C ATOM 947 SD MET A 61 -4.170 10.184 -2.255 1.00 10.00 S ATOM 948 CE MET A 61 -5.582 9.259 -1.653 1.00 10.00 C ATOM 0 H MET A 61 -0.813 10.716 0.141 1.00 10.00 H new ATOM 0 HA MET A 61 -2.972 10.881 2.034 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.454 8.973 -0.273 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.973 9.162 0.579 1.00 10.00 H new ATOM 0 HG2 MET A 61 -4.213 11.448 -0.221 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.608 11.419 -0.925 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.181 8.919 -2.498 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.236 8.396 -1.084 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.189 9.898 -1.011 1.00 10.00 H new ATOM 958 N LEU A 62 -0.798 8.429 2.145 1.00 10.00 N ATOM 959 CA LEU A 62 -0.319 7.301 2.934 1.00 10.00 C ATOM 960 C LEU A 62 0.136 7.769 4.308 1.00 10.00 C ATOM 961 O LEU A 62 -0.055 7.075 5.303 1.00 10.00 O ATOM 962 CB LEU A 62 0.835 6.594 2.216 1.00 10.00 C ATOM 963 CG LEU A 62 0.471 5.940 0.883 1.00 10.00 C ATOM 964 CD1 LEU A 62 1.688 5.263 0.277 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.658 4.940 1.072 1.00 10.00 C ATOM 0 H LEU A 62 -0.166 8.715 1.397 1.00 10.00 H new ATOM 0 HA LEU A 62 -1.142 6.596 3.055 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.631 7.318 2.041 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.240 5.829 2.879 1.00 10.00 H new ATOM 0 HG LEU A 62 0.130 6.716 0.197 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.413 4.802 -0.672 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.470 6.004 0.108 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.056 4.497 0.960 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.904 4.484 0.113 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -0.345 4.166 1.772 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.536 5.452 1.466 1.00 10.00 H new ATOM 977 N GLU A 63 0.728 8.957 4.352 1.00 10.00 N ATOM 978 CA GLU A 63 1.208 9.537 5.602 1.00 10.00 C ATOM 979 C GLU A 63 0.053 9.748 6.577 1.00 10.00 C ATOM 980 O GLU A 63 0.235 9.679 7.792 1.00 10.00 O ATOM 981 CB GLU A 63 1.911 10.869 5.337 1.00 10.00 C ATOM 982 CG GLU A 63 3.200 10.738 4.539 1.00 10.00 C ATOM 983 CD GLU A 63 4.373 10.295 5.386 1.00 10.00 C ATOM 984 OE1 GLU A 63 5.450 10.921 5.291 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.232 9.324 6.157 1.00 10.00 O ATOM 0 H GLU A 63 0.888 9.541 3.531 1.00 10.00 H new ATOM 0 HA GLU A 63 1.920 8.841 6.047 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.229 11.528 4.801 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.133 11.348 6.291 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.050 10.022 3.731 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.434 11.697 4.076 1.00 10.00 H new ATOM 992 N LYS A 64 -1.133 9.999 6.035 1.00 10.00 N ATOM 993 CA LYS A 64 -2.319 10.211 6.850 1.00 10.00 C ATOM 994 C LYS A 64 -2.859 8.880 7.364 1.00 10.00 C ATOM 995 O LYS A 64 -3.449 8.811 8.441 1.00 10.00 O ATOM 996 CB LYS A 64 -3.393 10.946 6.042 1.00 10.00 C ATOM 997 CG LYS A 64 -2.990 12.359 5.655 1.00 10.00 C ATOM 998 CD LYS A 64 -3.885 12.921 4.562 1.00 10.00 C ATOM 999 CE LYS A 64 -3.422 14.305 4.134 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.215 14.844 3.000 1.00 10.00 N ATOM 0 H LYS A 64 -1.297 10.060 5.030 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.045 10.826 7.707 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.611 10.377 5.138 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.314 10.984 6.624 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -3.038 13.004 6.532 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.955 12.361 5.314 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -3.880 12.250 3.703 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.913 12.973 4.920 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.495 14.987 4.981 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.371 14.261 3.850 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -3.861 15.788 2.746 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.126 14.209 2.181 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.215 14.913 3.277 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.628 7.821 6.600 1.00 10.00 N ATOM 1015 CA GLN A 65 -3.092 6.492 6.975 1.00 10.00 C ATOM 1016 C GLN A 65 -2.000 5.727 7.717 1.00 10.00 C ATOM 1017 O GLN A 65 -2.172 4.558 8.073 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.528 5.714 5.734 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.729 6.317 5.024 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.979 6.315 5.883 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.215 7.239 6.660 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.796 5.284 5.739 1.00 10.00 N ATOM 0 H GLN A 65 -2.121 7.856 5.715 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.947 6.604 7.641 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.692 5.663 5.036 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.765 4.690 6.023 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.496 7.341 4.731 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.922 5.759 4.108 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.564 4.537 5.084 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.657 5.236 6.283 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.875 6.392 7.938 1.00 10.00 N ATOM 1032 CA LYS A 66 0.245 5.796 8.646 1.00 10.00 C ATOM 1033 C LYS A 66 -0.090 5.697 10.129 1.00 10.00 C ATOM 1034 O LYS A 66 -0.403 6.704 10.768 1.00 10.00 O ATOM 1035 CB LYS A 66 1.513 6.629 8.439 1.00 10.00 C ATOM 1036 CG LYS A 66 2.781 5.944 8.918 1.00 10.00 C ATOM 1037 CD LYS A 66 4.012 6.770 8.578 1.00 10.00 C ATOM 1038 CE LYS A 66 4.094 8.031 9.424 1.00 10.00 C ATOM 1039 NZ LYS A 66 4.835 9.122 8.736 1.00 10.00 N ATOM 0 H LYS A 66 -0.715 7.352 7.634 1.00 10.00 H new ATOM 0 HA LYS A 66 0.428 4.796 8.252 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.615 6.861 7.379 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.403 7.578 8.964 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.729 5.789 9.996 1.00 10.00 H new ATOM 0 HG3 LYS A 66 2.862 4.959 8.458 1.00 10.00 H new ATOM 0 HD2 LYS A 66 4.908 6.169 8.733 1.00 10.00 H new ATOM 0 HD3 LYS A 66 3.989 7.041 7.522 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.087 8.373 9.663 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.585 7.801 10.370 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 4.342 10.025 8.886 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.798 9.185 9.123 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.884 8.919 7.717 1.00 10.00 H new ATOM 1053 N LYS A 67 -0.041 4.488 10.662 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.364 4.254 12.063 1.00 10.00 C ATOM 1055 C LYS A 67 0.792 3.564 12.763 1.00 10.00 C ATOM 1056 O LYS A 67 1.579 2.868 12.122 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.627 3.396 12.177 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.873 4.066 11.618 1.00 10.00 C ATOM 1059 CD LYS A 67 -4.052 3.109 11.586 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.320 3.788 11.101 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.453 2.831 10.993 1.00 10.00 N ATOM 0 H LYS A 67 0.220 3.649 10.145 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.543 5.216 12.543 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.465 2.455 11.652 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.796 3.151 13.226 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -3.124 4.935 12.226 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.671 4.430 10.611 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.819 2.267 10.934 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.217 2.703 12.584 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.587 4.591 11.787 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -5.138 4.246 10.129 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.291 3.325 10.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.195 2.060 10.345 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.666 2.438 11.932 1.00 10.00 H new TER 1075 LYS A 67 ATOM 1076 N GLY B 3 -9.281 -17.446 -0.714 1.00 10.00 N ATOM 1077 CA GLY B 3 -7.903 -17.749 -1.058 1.00 10.00 C ATOM 1078 C GLY B 3 -7.085 -16.497 -1.297 1.00 10.00 C ATOM 1079 O GLY B 3 -5.926 -16.564 -1.715 1.00 10.00 O ATOM 0 HA2 GLY B 3 -7.449 -18.330 -0.255 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -7.882 -18.371 -1.953 1.00 10.00 H new ATOM 1083 N GLU B 4 -7.696 -15.352 -1.032 1.00 10.00 N ATOM 1084 CA GLU B 4 -7.041 -14.065 -1.222 1.00 10.00 C ATOM 1085 C GLU B 4 -5.939 -13.832 -0.195 1.00 10.00 C ATOM 1086 O GLU B 4 -6.118 -14.077 1.001 1.00 10.00 O ATOM 1087 CB GLU B 4 -8.067 -12.934 -1.181 1.00 10.00 C ATOM 1088 CG GLU B 4 -9.111 -13.037 -2.282 1.00 10.00 C ATOM 1089 CD GLU B 4 -8.518 -12.861 -3.666 1.00 10.00 C ATOM 1090 OE1 GLU B 4 -7.891 -13.814 -4.184 1.00 10.00 O ATOM 1091 OE2 GLU B 4 -8.681 -11.775 -4.250 1.00 10.00 O ATOM 0 H GLU B 4 -8.652 -15.288 -0.682 1.00 10.00 H new ATOM 0 HA GLU B 4 -6.570 -14.076 -2.205 1.00 10.00 H new ATOM 0 HB2 GLU B 4 -8.567 -12.940 -0.212 1.00 10.00 H new ATOM 0 HB3 GLU B 4 -7.550 -11.978 -1.267 1.00 10.00 H new ATOM 0 HG2 GLU B 4 -9.602 -14.008 -2.222 1.00 10.00 H new ATOM 0 HG3 GLU B 4 -9.879 -12.281 -2.121 1.00 10.00 H new ATOM 1098 N GLY B 5 -4.803 -13.353 -0.680 1.00 10.00 N ATOM 1099 CA GLY B 5 -3.664 -13.091 0.174 1.00 10.00 C ATOM 1100 C GLY B 5 -2.363 -13.227 -0.587 1.00 10.00 C ATOM 1101 O GLY B 5 -1.890 -14.340 -0.832 1.00 10.00 O ATOM 0 H GLY B 5 -4.650 -13.139 -1.665 1.00 10.00 H new ATOM 0 HA2 GLY B 5 -3.742 -12.086 0.589 1.00 10.00 H new ATOM 0 HA3 GLY B 5 -3.670 -13.785 1.015 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.790 -12.100 -0.981 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.544 -12.103 -1.734 1.00 10.00 C ATOM 1107 C GLU B 6 0.664 -12.249 -0.811 1.00 10.00 C ATOM 1108 O GLU B 6 0.593 -11.949 0.382 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.419 -10.826 -2.572 1.00 10.00 C ATOM 1110 CG GLU B 6 -0.472 -9.545 -1.761 1.00 10.00 C ATOM 1111 CD GLU B 6 -1.870 -8.980 -1.649 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.235 -8.118 -2.478 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -2.614 -9.396 -0.741 1.00 10.00 O ATOM 0 H GLU B 6 -2.167 -11.171 -0.792 1.00 10.00 H new ATOM 0 HA GLU B 6 -0.563 -12.964 -2.403 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.521 -10.856 -3.122 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.220 -10.809 -3.311 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -0.081 -9.737 -0.762 1.00 10.00 H new ATOM 0 HG3 GLU B 6 0.180 -8.802 -2.221 1.00 10.00 H new ATOM 1120 N GLU B 7 1.767 -12.727 -1.372 1.00 10.00 N ATOM 1121 CA GLU B 7 2.997 -12.919 -0.615 1.00 10.00 C ATOM 1122 C GLU B 7 4.092 -11.979 -1.115 1.00 10.00 C ATOM 1123 O GLU B 7 4.211 -11.730 -2.320 1.00 10.00 O ATOM 1124 CB GLU B 7 3.463 -14.368 -0.734 1.00 10.00 C ATOM 1125 CG GLU B 7 2.585 -15.365 0.007 1.00 10.00 C ATOM 1126 CD GLU B 7 2.794 -15.320 1.504 1.00 10.00 C ATOM 1127 OE1 GLU B 7 1.815 -15.078 2.238 1.00 10.00 O ATOM 1128 OE2 GLU B 7 3.943 -15.527 1.955 1.00 10.00 O ATOM 0 H GLU B 7 1.835 -12.990 -2.355 1.00 10.00 H new ATOM 0 HA GLU B 7 2.796 -12.691 0.432 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.496 -14.642 -1.788 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.481 -14.443 -0.353 1.00 10.00 H new ATOM 0 HG2 GLU B 7 1.538 -15.159 -0.217 1.00 10.00 H new ATOM 0 HG3 GLU B 7 2.797 -16.371 -0.356 1.00 10.00 H new ATOM 1135 N GLU B 8 4.888 -11.462 -0.187 1.00 10.00 N ATOM 1136 CA GLU B 8 5.974 -10.543 -0.514 1.00 10.00 C ATOM 1137 C GLU B 8 7.284 -11.027 0.088 1.00 10.00 C ATOM 1138 O GLU B 8 7.312 -12.032 0.803 1.00 10.00 O ATOM 1139 CB GLU B 8 5.657 -9.139 0.000 1.00 10.00 C ATOM 1140 CG GLU B 8 4.294 -8.629 -0.430 1.00 10.00 C ATOM 1141 CD GLU B 8 4.141 -7.143 -0.206 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.049 -6.405 -1.209 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.118 -6.714 0.966 1.00 10.00 O ATOM 0 H GLU B 8 4.801 -11.666 0.809 1.00 10.00 H new ATOM 0 HA GLU B 8 6.076 -10.510 -1.599 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.709 -9.139 1.089 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.423 -8.449 -0.355 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.141 -8.853 -1.486 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.519 -9.159 0.123 1.00 10.00 H new ATOM 1150 N GLY B 9 8.358 -10.315 -0.213 1.00 10.00 N ATOM 1151 CA GLY B 9 9.661 -10.681 0.301 1.00 10.00 C ATOM 1152 C GLY B 9 10.758 -9.879 -0.354 1.00 10.00 C ATOM 1153 O GLY B 9 11.698 -10.440 -0.916 1.00 10.00 O ATOM 0 H GLY B 9 8.351 -9.486 -0.807 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.686 -10.522 1.379 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.835 -11.744 0.132 1.00 10.00 H new ATOM 1157 N GLU B 10 10.628 -8.564 -0.292 1.00 10.00 N ATOM 1158 CA GLU B 10 11.599 -7.663 -0.888 1.00 10.00 C ATOM 1159 C GLU B 10 12.920 -7.707 -0.133 1.00 10.00 C ATOM 1160 O GLU B 10 12.949 -7.571 1.091 1.00 10.00 O ATOM 1161 CB GLU B 10 11.060 -6.231 -0.890 1.00 10.00 C ATOM 1162 CG GLU B 10 10.149 -5.902 -2.066 1.00 10.00 C ATOM 1163 CD GLU B 10 9.391 -7.111 -2.592 1.00 10.00 C ATOM 1164 OE1 GLU B 10 9.740 -7.599 -3.691 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.459 -7.587 -1.903 1.00 10.00 O ATOM 0 H GLU B 10 9.850 -8.093 0.171 1.00 10.00 H new ATOM 0 HA GLU B 10 11.772 -7.988 -1.914 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.512 -6.061 0.037 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.902 -5.539 -0.894 1.00 10.00 H new ATOM 0 HG2 GLU B 10 9.434 -5.137 -1.761 1.00 10.00 H new ATOM 0 HG3 GLU B 10 10.746 -5.477 -2.872 1.00 10.00 H new ATOM 1172 N GLU B 11 14.006 -7.906 -0.861 1.00 10.00 N ATOM 1173 CA GLU B 11 15.324 -7.943 -0.253 1.00 10.00 C ATOM 1174 C GLU B 11 15.791 -6.520 0.026 1.00 10.00 C ATOM 1175 O GLU B 11 16.067 -5.757 -0.902 1.00 10.00 O ATOM 1176 CB GLU B 11 16.318 -8.664 -1.169 1.00 10.00 C ATOM 1177 CG GLU B 11 17.613 -9.053 -0.474 1.00 10.00 C ATOM 1178 CD GLU B 11 17.370 -9.936 0.728 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.286 -9.410 1.854 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.249 -11.164 0.552 1.00 10.00 O ATOM 0 H GLU B 11 14.001 -8.044 -1.872 1.00 10.00 H new ATOM 0 HA GLU B 11 15.270 -8.494 0.686 1.00 10.00 H new ATOM 0 HB2 GLU B 11 15.846 -9.561 -1.569 1.00 10.00 H new ATOM 0 HB3 GLU B 11 16.550 -8.021 -2.018 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.261 -9.573 -1.180 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.141 -8.152 -0.161 1.00 10.00 H new ATOM 1187 N TYR B 12 15.847 -6.153 1.298 1.00 10.00 N ATOM 1188 CA TYR B 12 16.272 -4.813 1.680 1.00 10.00 C ATOM 1189 C TYR B 12 17.769 -4.627 1.443 1.00 10.00 C ATOM 1190 O TYR B 12 18.560 -5.562 1.614 1.00 10.00 O ATOM 1191 CB TYR B 12 15.933 -4.544 3.143 1.00 10.00 C ATOM 1192 CG TYR B 12 15.754 -3.077 3.440 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.847 -2.268 3.719 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.493 -2.498 3.429 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.687 -0.921 3.975 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.325 -1.154 3.687 1.00 10.00 C ATOM 1197 CZ TYR B 12 15.424 -0.371 3.960 1.00 10.00 C ATOM 1198 OH TYR B 12 15.263 0.970 4.211 1.00 10.00 O ATOM 0 H TYR B 12 15.605 -6.761 2.081 1.00 10.00 H new ATOM 0 HA TYR B 12 15.735 -4.098 1.057 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.019 -5.077 3.403 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.726 -4.944 3.775 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.837 -2.699 3.736 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.629 -3.110 3.215 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.547 -0.302 4.186 1.00 10.00 H new ATOM 0 HE2 TYR B 12 13.337 -0.718 3.675 1.00 10.00 H new ATOM 0 HH TYR B 12 16.060 1.456 3.914 1.00 10.00 H new TER 1208 TYR B 12