USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 687 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 Single : A 3 SER OG : rot -28:sc= 0.364 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0392 (180deg=-0.289) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.582 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.81! X(o=-2.8!,f=-2.4) USER MOD Single : A 64 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-4.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 67:sc= 0.666 USER MOD Single : A 77 SER OG : rot 159:sc= -0.16 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 2.779 -4.973 -2.922 1.00 3.20 N ATOM 36 CA SER A 3 1.856 -5.991 -3.409 1.00 14.32 C ATOM 37 C SER A 3 2.387 -7.391 -3.116 1.00 54.32 C ATOM 38 O SER A 3 3.587 -7.583 -2.918 1.00 60.42 O ATOM 39 CB SER A 3 1.626 -5.824 -4.912 1.00 52.11 C ATOM 40 OG SER A 3 2.841 -5.548 -5.586 1.00 43.03 O ATOM 0 HA SER A 3 0.907 -5.865 -2.888 1.00 14.32 H new ATOM 0 HB2 SER A 3 1.179 -6.732 -5.318 1.00 52.11 H new ATOM 0 HB3 SER A 3 0.917 -5.014 -5.087 1.00 52.11 H new ATOM 0 HG SER A 3 3.456 -5.089 -4.977 1.00 43.03 H new ATOM 46 N LEU A 4 1.484 -8.365 -3.090 1.00 62.25 N ATOM 47 CA LEU A 4 1.860 -9.749 -2.822 1.00 60.12 C ATOM 48 C LEU A 4 1.181 -10.698 -3.805 1.00 3.12 C ATOM 49 O LEU A 4 -0.030 -10.627 -4.018 1.00 24.51 O ATOM 50 CB LEU A 4 1.488 -10.130 -1.388 1.00 64.31 C ATOM 51 CG LEU A 4 1.907 -9.140 -0.301 1.00 30.34 C ATOM 52 CD1 LEU A 4 1.371 -9.577 1.054 1.00 72.01 C ATOM 53 CD2 LEU A 4 3.422 -9.004 -0.258 1.00 20.13 C ATOM 0 H LEU A 4 0.487 -8.222 -3.251 1.00 62.25 H new ATOM 0 HA LEU A 4 2.939 -9.837 -2.947 1.00 60.12 H new ATOM 0 HB2 LEU A 4 0.407 -10.259 -1.336 1.00 64.31 H new ATOM 0 HB3 LEU A 4 1.936 -11.098 -1.162 1.00 64.31 H new ATOM 0 HG LEU A 4 1.481 -8.166 -0.541 1.00 30.34 H new ATOM 0 HD11 LEU A 4 1.679 -8.861 1.815 1.00 72.01 H new ATOM 0 HD12 LEU A 4 0.283 -9.622 1.017 1.00 72.01 H new ATOM 0 HD13 LEU A 4 1.767 -10.562 1.301 1.00 72.01 H new ATOM 0 HD21 LEU A 4 3.702 -8.295 0.522 1.00 20.13 H new ATOM 0 HD22 LEU A 4 3.869 -9.975 -0.043 1.00 20.13 H new ATOM 0 HD23 LEU A 4 3.783 -8.644 -1.222 1.00 20.13 H new ATOM 65 N THR A 5 1.969 -11.588 -4.401 1.00 2.24 N ATOM 66 CA THR A 5 1.445 -12.552 -5.360 1.00 11.14 C ATOM 67 C THR A 5 0.558 -13.584 -4.673 1.00 24.33 C ATOM 68 O THR A 5 0.878 -14.068 -3.587 1.00 2.34 O ATOM 69 CB THR A 5 2.581 -13.280 -6.102 1.00 60.23 C ATOM 70 OG1 THR A 5 3.798 -13.181 -5.354 1.00 31.20 O ATOM 71 CG2 THR A 5 2.784 -12.692 -7.490 1.00 62.25 C ATOM 0 H THR A 5 2.973 -11.661 -4.236 1.00 2.24 H new ATOM 0 HA THR A 5 0.852 -11.990 -6.081 1.00 11.14 H new ATOM 0 HB THR A 5 2.304 -14.329 -6.206 1.00 60.23 H new ATOM 0 HG1 THR A 5 4.515 -13.648 -5.832 1.00 31.20 H new ATOM 0 HG21 THR A 5 3.591 -13.222 -7.995 1.00 62.25 H new ATOM 0 HG22 THR A 5 1.865 -12.796 -8.067 1.00 62.25 H new ATOM 0 HG23 THR A 5 3.041 -11.636 -7.404 1.00 62.25 H new ATOM 79 N VAL A 6 -0.557 -13.919 -5.313 1.00 34.20 N ATOM 80 CA VAL A 6 -1.490 -14.896 -4.764 1.00 62.51 C ATOM 81 C VAL A 6 -1.596 -16.121 -5.666 1.00 35.12 C ATOM 82 O VAL A 6 -2.190 -16.063 -6.743 1.00 31.31 O ATOM 83 CB VAL A 6 -2.892 -14.289 -4.574 1.00 13.11 C ATOM 84 CG1 VAL A 6 -3.857 -15.332 -4.032 1.00 34.12 C ATOM 85 CG2 VAL A 6 -2.828 -13.080 -3.653 1.00 33.04 C ATOM 0 H VAL A 6 -0.837 -13.528 -6.213 1.00 34.20 H new ATOM 0 HA VAL A 6 -1.098 -15.196 -3.792 1.00 62.51 H new ATOM 0 HB VAL A 6 -3.261 -13.959 -5.545 1.00 13.11 H new ATOM 0 HG11 VAL A 6 -4.843 -14.884 -3.904 1.00 34.12 H new ATOM 0 HG12 VAL A 6 -3.924 -16.164 -4.733 1.00 34.12 H new ATOM 0 HG13 VAL A 6 -3.497 -15.696 -3.070 1.00 34.12 H new ATOM 0 HG21 VAL A 6 -3.828 -12.663 -3.530 1.00 33.04 H new ATOM 0 HG22 VAL A 6 -2.439 -13.383 -2.681 1.00 33.04 H new ATOM 0 HG23 VAL A 6 -2.172 -12.326 -4.087 1.00 33.04 H new ATOM 95 N LYS A 7 -1.018 -17.230 -5.219 1.00 21.44 N ATOM 96 CA LYS A 7 -1.048 -18.472 -5.983 1.00 54.42 C ATOM 97 C LYS A 7 -2.263 -19.314 -5.605 1.00 5.11 C ATOM 98 O LYS A 7 -2.545 -19.517 -4.425 1.00 13.04 O ATOM 99 CB LYS A 7 0.234 -19.272 -5.747 1.00 45.10 C ATOM 100 CG LYS A 7 1.452 -18.688 -6.442 1.00 3.22 C ATOM 101 CD LYS A 7 2.742 -19.280 -5.899 1.00 32.33 C ATOM 102 CE LYS A 7 3.094 -20.585 -6.598 1.00 12.54 C ATOM 103 NZ LYS A 7 4.545 -20.901 -6.484 1.00 55.31 N ATOM 0 H LYS A 7 -0.522 -17.295 -4.330 1.00 21.44 H new ATOM 0 HA LYS A 7 -1.119 -18.217 -7.040 1.00 54.42 H new ATOM 0 HB2 LYS A 7 0.428 -19.324 -4.676 1.00 45.10 H new ATOM 0 HB3 LYS A 7 0.083 -20.294 -6.094 1.00 45.10 H new ATOM 0 HG2 LYS A 7 1.386 -18.878 -7.513 1.00 3.22 H new ATOM 0 HG3 LYS A 7 1.463 -17.606 -6.310 1.00 3.22 H new ATOM 0 HD2 LYS A 7 3.555 -18.565 -6.029 1.00 32.33 H new ATOM 0 HD3 LYS A 7 2.641 -19.455 -4.828 1.00 32.33 H new ATOM 0 HE2 LYS A 7 2.510 -21.398 -6.166 1.00 12.54 H new ATOM 0 HE3 LYS A 7 2.818 -20.519 -7.650 1.00 12.54 H new ATOM 0 HZ1 LYS A 7 4.745 -21.797 -6.973 1.00 55.31 H new ATOM 0 HZ2 LYS A 7 5.102 -20.138 -6.919 1.00 55.31 H new ATOM 0 HZ3 LYS A 7 4.803 -20.989 -5.480 1.00 55.31 H new ATOM 117 N ALA A 8 -2.976 -19.803 -6.614 1.00 44.22 N ATOM 118 CA ALA A 8 -4.157 -20.626 -6.387 1.00 2.01 C ATOM 119 C ALA A 8 -4.009 -21.992 -7.048 1.00 75.13 C ATOM 120 O ALA A 8 -3.633 -22.090 -8.216 1.00 44.33 O ATOM 121 CB ALA A 8 -5.401 -19.919 -6.904 1.00 3.51 C ATOM 0 H ALA A 8 -2.756 -19.643 -7.597 1.00 44.22 H new ATOM 0 HA ALA A 8 -4.261 -20.780 -5.313 1.00 2.01 H new ATOM 0 HB1 ALA A 8 -6.275 -20.546 -6.728 1.00 3.51 H new ATOM 0 HB2 ALA A 8 -5.523 -18.970 -6.382 1.00 3.51 H new ATOM 0 HB3 ALA A 8 -5.297 -19.734 -7.973 1.00 3.51 H new ATOM 127 N TYR A 9 -4.308 -23.044 -6.294 1.00 70.35 N ATOM 128 CA TYR A 9 -4.206 -24.405 -6.807 1.00 64.40 C ATOM 129 C TYR A 9 -5.583 -24.960 -7.159 1.00 24.23 C ATOM 130 O TYR A 9 -6.451 -25.092 -6.295 1.00 52.14 O ATOM 131 CB TYR A 9 -3.526 -25.311 -5.778 1.00 14.52 C ATOM 132 CG TYR A 9 -2.080 -24.954 -5.519 1.00 12.25 C ATOM 133 CD1 TYR A 9 -1.087 -25.293 -6.429 1.00 23.42 C ATOM 134 CD2 TYR A 9 -1.707 -24.278 -4.363 1.00 61.33 C ATOM 135 CE1 TYR A 9 0.236 -24.970 -6.196 1.00 22.21 C ATOM 136 CE2 TYR A 9 -0.387 -23.950 -4.123 1.00 1.21 C ATOM 137 CZ TYR A 9 0.581 -24.298 -5.042 1.00 31.01 C ATOM 138 OH TYR A 9 1.897 -23.974 -4.805 1.00 42.24 O ATOM 0 H TYR A 9 -4.623 -22.980 -5.326 1.00 70.35 H new ATOM 0 HA TYR A 9 -3.602 -24.379 -7.714 1.00 64.40 H new ATOM 0 HB2 TYR A 9 -4.078 -25.259 -4.840 1.00 14.52 H new ATOM 0 HB3 TYR A 9 -3.580 -26.343 -6.123 1.00 14.52 H new ATOM 0 HD1 TYR A 9 -1.354 -25.818 -7.334 1.00 23.42 H new ATOM 0 HD2 TYR A 9 -2.462 -24.005 -3.641 1.00 61.33 H new ATOM 0 HE1 TYR A 9 0.996 -25.242 -6.914 1.00 22.21 H new ATOM 0 HE2 TYR A 9 -0.114 -23.424 -3.220 1.00 1.21 H new ATOM 0 HH TYR A 9 1.969 -23.502 -3.949 1.00 42.24 H new ATOM 148 N LEU A 10 -5.775 -25.285 -8.433 1.00 5.45 N ATOM 149 CA LEU A 10 -7.045 -25.826 -8.901 1.00 34.51 C ATOM 150 C LEU A 10 -7.130 -27.326 -8.633 1.00 43.25 C ATOM 151 O LEU A 10 -6.159 -28.058 -8.830 1.00 41.00 O ATOM 152 CB LEU A 10 -7.219 -25.553 -10.396 1.00 10.11 C ATOM 153 CG LEU A 10 -8.642 -25.242 -10.861 1.00 12.25 C ATOM 154 CD1 LEU A 10 -9.555 -26.434 -10.619 1.00 12.21 C ATOM 155 CD2 LEU A 10 -9.177 -24.006 -10.151 1.00 65.04 C ATOM 0 H LEU A 10 -5.067 -25.183 -9.160 1.00 5.45 H new ATOM 0 HA LEU A 10 -7.846 -25.331 -8.352 1.00 34.51 H new ATOM 0 HB2 LEU A 10 -6.578 -24.715 -10.669 1.00 10.11 H new ATOM 0 HB3 LEU A 10 -6.860 -26.422 -10.948 1.00 10.11 H new ATOM 0 HG LEU A 10 -8.618 -25.040 -11.932 1.00 12.25 H new ATOM 0 HD11 LEU A 10 -10.563 -26.194 -10.956 1.00 12.21 H new ATOM 0 HD12 LEU A 10 -9.183 -27.296 -11.173 1.00 12.21 H new ATOM 0 HD13 LEU A 10 -9.574 -26.667 -9.554 1.00 12.21 H new ATOM 0 HD21 LEU A 10 -10.191 -23.799 -10.494 1.00 65.04 H new ATOM 0 HD22 LEU A 10 -9.187 -24.180 -9.075 1.00 65.04 H new ATOM 0 HD23 LEU A 10 -8.537 -23.152 -10.375 1.00 65.04 H new ATOM 167 N LEU A 11 -8.296 -27.777 -8.186 1.00 54.13 N ATOM 168 CA LEU A 11 -8.509 -29.190 -7.894 1.00 31.20 C ATOM 169 C LEU A 11 -9.772 -29.704 -8.578 1.00 13.45 C ATOM 170 O LEU A 11 -10.866 -29.188 -8.351 1.00 32.41 O ATOM 171 CB LEU A 11 -8.608 -29.410 -6.383 1.00 42.43 C ATOM 172 CG LEU A 11 -7.619 -28.621 -5.524 1.00 43.25 C ATOM 173 CD1 LEU A 11 -8.021 -28.677 -4.059 1.00 30.20 C ATOM 174 CD2 LEU A 11 -6.206 -29.154 -5.713 1.00 1.15 C ATOM 0 H LEU A 11 -9.109 -27.185 -8.018 1.00 54.13 H new ATOM 0 HA LEU A 11 -7.656 -29.748 -8.281 1.00 31.20 H new ATOM 0 HB2 LEU A 11 -9.619 -29.155 -6.064 1.00 42.43 H new ATOM 0 HB3 LEU A 11 -8.468 -30.472 -6.181 1.00 42.43 H new ATOM 0 HG LEU A 11 -7.639 -27.579 -5.844 1.00 43.25 H new ATOM 0 HD11 LEU A 11 -7.306 -28.110 -3.463 1.00 30.20 H new ATOM 0 HD12 LEU A 11 -9.015 -28.247 -3.938 1.00 30.20 H new ATOM 0 HD13 LEU A 11 -8.031 -29.714 -3.724 1.00 30.20 H new ATOM 0 HD21 LEU A 11 -5.515 -28.581 -5.094 1.00 1.15 H new ATOM 0 HD22 LEU A 11 -6.171 -30.203 -5.420 1.00 1.15 H new ATOM 0 HD23 LEU A 11 -5.919 -29.060 -6.760 1.00 1.15 H new ATOM 186 N GLY A 12 -9.613 -30.725 -9.414 1.00 52.55 N ATOM 187 CA GLY A 12 -10.749 -31.292 -10.117 1.00 33.25 C ATOM 188 C GLY A 12 -11.534 -32.265 -9.259 1.00 1.13 C ATOM 189 O GLY A 12 -12.033 -31.902 -8.193 1.00 23.50 O ATOM 0 H GLY A 12 -8.718 -31.170 -9.617 1.00 52.55 H new ATOM 0 HA2 GLY A 12 -11.408 -30.488 -10.445 1.00 33.25 H new ATOM 0 HA3 GLY A 12 -10.399 -31.803 -11.014 1.00 33.25 H new ATOM 193 N LYS A 13 -11.646 -33.504 -9.724 1.00 22.51 N ATOM 194 CA LYS A 13 -12.376 -34.534 -8.993 1.00 42.40 C ATOM 195 C LYS A 13 -11.420 -35.423 -8.205 1.00 5.35 C ATOM 196 O LYS A 13 -11.784 -35.973 -7.166 1.00 71.33 O ATOM 197 CB LYS A 13 -13.202 -35.386 -9.959 1.00 43.34 C ATOM 198 CG LYS A 13 -13.958 -36.514 -9.281 1.00 31.53 C ATOM 199 CD LYS A 13 -13.138 -37.793 -9.244 1.00 45.21 C ATOM 200 CE LYS A 13 -14.027 -39.027 -9.267 1.00 45.34 C ATOM 201 NZ LYS A 13 -14.703 -39.198 -10.583 1.00 15.13 N ATOM 0 H LYS A 13 -11.240 -33.820 -10.605 1.00 22.51 H new ATOM 0 HA LYS A 13 -13.046 -34.039 -8.290 1.00 42.40 H new ATOM 0 HB2 LYS A 13 -13.913 -34.744 -10.479 1.00 43.34 H new ATOM 0 HB3 LYS A 13 -12.540 -35.807 -10.716 1.00 43.34 H new ATOM 0 HG2 LYS A 13 -14.219 -36.219 -8.265 1.00 31.53 H new ATOM 0 HG3 LYS A 13 -14.893 -36.696 -9.810 1.00 31.53 H new ATOM 0 HD2 LYS A 13 -12.460 -37.816 -10.097 1.00 45.21 H new ATOM 0 HD3 LYS A 13 -12.521 -37.805 -8.346 1.00 45.21 H new ATOM 0 HE2 LYS A 13 -13.427 -39.911 -9.049 1.00 45.34 H new ATOM 0 HE3 LYS A 13 -14.778 -38.949 -8.480 1.00 45.34 H new ATOM 0 HZ1 LYS A 13 -14.985 -40.192 -10.702 1.00 15.13 H new ATOM 0 HZ2 LYS A 13 -15.547 -38.592 -10.621 1.00 15.13 H new ATOM 0 HZ3 LYS A 13 -14.050 -38.930 -11.346 1.00 15.13 H new ATOM 215 N GLU A 14 -10.195 -35.557 -8.704 1.00 41.43 N ATOM 216 CA GLU A 14 -9.187 -36.379 -8.045 1.00 12.42 C ATOM 217 C GLU A 14 -8.273 -35.523 -7.172 1.00 61.15 C ATOM 218 O GLU A 14 -7.170 -35.938 -6.819 1.00 42.01 O ATOM 219 CB GLU A 14 -8.357 -37.137 -9.082 1.00 61.14 C ATOM 220 CG GLU A 14 -9.158 -38.153 -9.879 1.00 34.14 C ATOM 221 CD GLU A 14 -8.277 -39.131 -10.631 1.00 51.13 C ATOM 222 OE1 GLU A 14 -7.319 -38.678 -11.293 1.00 14.34 O ATOM 223 OE2 GLU A 14 -8.545 -40.348 -10.560 1.00 22.45 O ATOM 0 H GLU A 14 -9.877 -35.107 -9.562 1.00 41.43 H new ATOM 0 HA GLU A 14 -9.701 -37.098 -7.407 1.00 12.42 H new ATOM 0 HB2 GLU A 14 -7.908 -36.420 -9.770 1.00 61.14 H new ATOM 0 HB3 GLU A 14 -7.538 -37.649 -8.576 1.00 61.14 H new ATOM 0 HG2 GLU A 14 -9.812 -38.704 -9.204 1.00 34.14 H new ATOM 0 HG3 GLU A 14 -9.800 -37.629 -10.587 1.00 34.14 H new ATOM 230 N GLU A 15 -8.741 -34.327 -6.830 1.00 41.22 N ATOM 231 CA GLU A 15 -7.965 -33.412 -6.001 1.00 21.42 C ATOM 232 C GLU A 15 -6.561 -33.221 -6.568 1.00 54.15 C ATOM 233 O GLU A 15 -5.606 -32.993 -5.827 1.00 32.32 O ATOM 234 CB GLU A 15 -7.879 -33.938 -4.566 1.00 53.22 C ATOM 235 CG GLU A 15 -9.235 -34.132 -3.907 1.00 64.55 C ATOM 236 CD GLU A 15 -9.150 -34.937 -2.625 1.00 3.11 C ATOM 237 OE1 GLU A 15 -8.029 -35.348 -2.257 1.00 35.45 O ATOM 238 OE2 GLU A 15 -10.202 -35.155 -1.990 1.00 34.21 O ATOM 0 H GLU A 15 -9.653 -33.969 -7.114 1.00 41.22 H new ATOM 0 HA GLU A 15 -8.472 -32.447 -5.998 1.00 21.42 H new ATOM 0 HB2 GLU A 15 -7.346 -34.889 -4.568 1.00 53.22 H new ATOM 0 HB3 GLU A 15 -7.290 -33.243 -3.968 1.00 53.22 H new ATOM 0 HG2 GLU A 15 -9.673 -33.157 -3.691 1.00 64.55 H new ATOM 0 HG3 GLU A 15 -9.905 -34.635 -4.604 1.00 64.55 H new ATOM 245 N ALA A 16 -6.446 -33.316 -7.889 1.00 43.40 N ATOM 246 CA ALA A 16 -5.161 -33.152 -8.557 1.00 4.40 C ATOM 247 C ALA A 16 -5.043 -31.769 -9.189 1.00 3.34 C ATOM 248 O ALA A 16 -6.021 -31.223 -9.698 1.00 71.20 O ATOM 249 CB ALA A 16 -4.972 -34.233 -9.610 1.00 65.05 C ATOM 0 H ALA A 16 -7.227 -33.506 -8.517 1.00 43.40 H new ATOM 0 HA ALA A 16 -4.375 -33.249 -7.808 1.00 4.40 H new ATOM 0 HB1 ALA A 16 -4.008 -34.098 -10.101 1.00 65.05 H new ATOM 0 HB2 ALA A 16 -5.003 -35.213 -9.135 1.00 65.05 H new ATOM 0 HB3 ALA A 16 -5.769 -34.163 -10.350 1.00 65.05 H new ATOM 255 N ALA A 17 -3.839 -31.207 -9.151 1.00 41.30 N ATOM 256 CA ALA A 17 -3.593 -29.888 -9.721 1.00 54.20 C ATOM 257 C ALA A 17 -4.024 -29.833 -11.183 1.00 3.10 C ATOM 258 O ALA A 17 -3.403 -30.453 -12.046 1.00 63.23 O ATOM 259 CB ALA A 17 -2.123 -29.521 -9.587 1.00 40.54 C ATOM 0 H ALA A 17 -3.019 -31.645 -8.731 1.00 41.30 H new ATOM 0 HA ALA A 17 -4.189 -29.163 -9.167 1.00 54.20 H new ATOM 0 HB1 ALA A 17 -1.954 -28.534 -10.017 1.00 40.54 H new ATOM 0 HB2 ALA A 17 -1.845 -29.510 -8.533 1.00 40.54 H new ATOM 0 HB3 ALA A 17 -1.515 -30.256 -10.115 1.00 40.54 H new ATOM 265 N ARG A 18 -5.090 -29.088 -11.454 1.00 12.55 N ATOM 266 CA ARG A 18 -5.604 -28.954 -12.811 1.00 53.32 C ATOM 267 C ARG A 18 -4.884 -27.835 -13.557 1.00 41.45 C ATOM 268 O ARG A 18 -4.466 -28.008 -14.702 1.00 12.02 O ATOM 269 CB ARG A 18 -7.109 -28.677 -12.785 1.00 23.53 C ATOM 270 CG ARG A 18 -7.960 -29.936 -12.822 1.00 22.21 C ATOM 271 CD ARG A 18 -9.422 -29.613 -13.088 1.00 45.34 C ATOM 272 NE ARG A 18 -9.723 -29.581 -14.517 1.00 14.41 N ATOM 273 CZ ARG A 18 -10.905 -29.227 -15.011 1.00 21.24 C ATOM 274 NH1 ARG A 18 -11.890 -28.877 -14.195 1.00 70.31 N ATOM 275 NH2 ARG A 18 -11.103 -29.223 -16.323 1.00 3.13 N ATOM 0 H ARG A 18 -5.615 -28.568 -10.751 1.00 12.55 H new ATOM 0 HA ARG A 18 -5.423 -29.893 -13.335 1.00 53.32 H new ATOM 0 HB2 ARG A 18 -7.350 -28.112 -11.885 1.00 23.53 H new ATOM 0 HB3 ARG A 18 -7.369 -28.048 -13.636 1.00 23.53 H new ATOM 0 HG2 ARG A 18 -7.587 -30.606 -13.597 1.00 22.21 H new ATOM 0 HG3 ARG A 18 -7.870 -30.465 -11.873 1.00 22.21 H new ATOM 0 HD2 ARG A 18 -10.052 -30.357 -12.601 1.00 45.34 H new ATOM 0 HD3 ARG A 18 -9.667 -28.648 -12.644 1.00 45.34 H new ATOM 0 HE ARG A 18 -8.986 -29.845 -15.171 1.00 14.41 H new ATOM 0 HH11 ARG A 18 -11.741 -28.879 -13.186 1.00 70.31 H new ATOM 0 HH12 ARG A 18 -12.796 -28.606 -14.576 1.00 70.31 H new ATOM 0 HH21 ARG A 18 -10.348 -29.492 -16.954 1.00 3.13 H new ATOM 0 HH22 ARG A 18 -12.011 -28.951 -16.701 1.00 3.13 H new ATOM 289 N GLU A 19 -4.743 -26.687 -12.901 1.00 32.22 N ATOM 290 CA GLU A 19 -4.075 -25.540 -13.503 1.00 44.04 C ATOM 291 C GLU A 19 -3.290 -24.755 -12.456 1.00 20.52 C ATOM 292 O GLU A 19 -3.429 -24.992 -11.255 1.00 62.24 O ATOM 293 CB GLU A 19 -5.096 -24.625 -14.182 1.00 60.14 C ATOM 294 CG GLU A 19 -5.351 -24.973 -15.639 1.00 43.34 C ATOM 295 CD GLU A 19 -6.356 -26.096 -15.804 1.00 53.30 C ATOM 296 OE1 GLU A 19 -7.311 -26.158 -15.002 1.00 34.33 O ATOM 297 OE2 GLU A 19 -6.188 -26.912 -16.734 1.00 53.31 O ATOM 0 H GLU A 19 -5.083 -26.527 -11.953 1.00 32.22 H new ATOM 0 HA GLU A 19 -3.376 -25.912 -14.252 1.00 44.04 H new ATOM 0 HB2 GLU A 19 -6.037 -24.676 -13.635 1.00 60.14 H new ATOM 0 HB3 GLU A 19 -4.746 -23.595 -14.119 1.00 60.14 H new ATOM 0 HG2 GLU A 19 -5.712 -24.088 -16.162 1.00 43.34 H new ATOM 0 HG3 GLU A 19 -4.411 -25.260 -16.110 1.00 43.34 H new ATOM 304 N ILE A 20 -2.466 -23.822 -12.919 1.00 42.11 N ATOM 305 CA ILE A 20 -1.660 -23.002 -12.023 1.00 64.40 C ATOM 306 C ILE A 20 -1.564 -21.567 -12.528 1.00 14.54 C ATOM 307 O ILE A 20 -1.381 -21.328 -13.721 1.00 65.23 O ATOM 308 CB ILE A 20 -0.238 -23.574 -11.863 1.00 53.25 C ATOM 309 CG1 ILE A 20 -0.299 -25.067 -11.536 1.00 73.33 C ATOM 310 CG2 ILE A 20 0.517 -22.819 -10.780 1.00 24.10 C ATOM 311 CD1 ILE A 20 1.062 -25.709 -11.385 1.00 42.23 C ATOM 0 H ILE A 20 -2.339 -23.615 -13.910 1.00 42.11 H new ATOM 0 HA ILE A 20 -2.158 -23.011 -11.054 1.00 64.40 H new ATOM 0 HB ILE A 20 0.296 -23.450 -12.805 1.00 53.25 H new ATOM 0 HG12 ILE A 20 -0.861 -25.206 -10.613 1.00 73.33 H new ATOM 0 HG13 ILE A 20 -0.849 -25.581 -12.324 1.00 73.33 H new ATOM 0 HG21 ILE A 20 1.520 -23.234 -10.678 1.00 24.10 H new ATOM 0 HG22 ILE A 20 0.586 -21.766 -11.052 1.00 24.10 H new ATOM 0 HG23 ILE A 20 -0.013 -22.915 -9.832 1.00 24.10 H new ATOM 0 HD11 ILE A 20 0.941 -26.767 -11.154 1.00 42.23 H new ATOM 0 HD12 ILE A 20 1.620 -25.602 -12.315 1.00 42.23 H new ATOM 0 HD13 ILE A 20 1.607 -25.221 -10.577 1.00 42.23 H new ATOM 323 N ARG A 21 -1.689 -20.613 -11.610 1.00 32.20 N ATOM 324 CA ARG A 21 -1.617 -19.200 -11.962 1.00 24.24 C ATOM 325 C ARG A 21 -1.692 -18.325 -10.714 1.00 14.01 C ATOM 326 O ARG A 21 -2.388 -18.655 -9.753 1.00 62.33 O ATOM 327 CB ARG A 21 -2.748 -18.834 -12.924 1.00 45.43 C ATOM 328 CG ARG A 21 -2.386 -17.720 -13.893 1.00 45.31 C ATOM 329 CD ARG A 21 -1.739 -18.268 -15.156 1.00 13.22 C ATOM 330 NE ARG A 21 -0.347 -18.650 -14.937 1.00 2.54 N ATOM 331 CZ ARG A 21 0.661 -17.785 -14.939 1.00 4.54 C ATOM 332 NH1 ARG A 21 0.433 -16.495 -15.147 1.00 34.32 N ATOM 333 NH2 ARG A 21 1.901 -18.209 -14.731 1.00 45.45 N ATOM 0 H ARG A 21 -1.841 -20.793 -10.618 1.00 32.20 H new ATOM 0 HA ARG A 21 -0.660 -19.021 -12.453 1.00 24.24 H new ATOM 0 HB2 ARG A 21 -3.032 -19.720 -13.492 1.00 45.43 H new ATOM 0 HB3 ARG A 21 -3.622 -18.532 -12.346 1.00 45.43 H new ATOM 0 HG2 ARG A 21 -3.283 -17.160 -14.156 1.00 45.31 H new ATOM 0 HG3 ARG A 21 -1.705 -17.021 -13.408 1.00 45.31 H new ATOM 0 HD2 ARG A 21 -2.302 -19.134 -15.505 1.00 13.22 H new ATOM 0 HD3 ARG A 21 -1.789 -17.517 -15.944 1.00 13.22 H new ATOM 0 HE ARG A 21 -0.137 -19.635 -14.774 1.00 2.54 H new ATOM 0 HH11 ARG A 21 -0.519 -16.164 -15.306 1.00 34.32 H new ATOM 0 HH12 ARG A 21 1.209 -15.834 -15.148 1.00 34.32 H new ATOM 0 HH21 ARG A 21 2.081 -19.200 -14.569 1.00 45.45 H new ATOM 0 HH22 ARG A 21 2.674 -17.544 -14.733 1.00 45.45 H new ATOM 347 N ARG A 22 -0.972 -17.208 -10.736 1.00 71.31 N ATOM 348 CA ARG A 22 -0.956 -16.287 -9.607 1.00 14.34 C ATOM 349 C ARG A 22 -1.156 -14.848 -10.076 1.00 21.44 C ATOM 350 O ARG A 22 -0.767 -14.487 -11.187 1.00 32.14 O ATOM 351 CB ARG A 22 0.363 -16.407 -8.841 1.00 52.44 C ATOM 352 CG ARG A 22 1.584 -16.050 -9.673 1.00 71.13 C ATOM 353 CD ARG A 22 2.253 -17.292 -10.241 1.00 51.15 C ATOM 354 NE ARG A 22 3.472 -16.969 -10.977 1.00 43.42 N ATOM 355 CZ ARG A 22 3.479 -16.353 -12.154 1.00 61.13 C ATOM 356 NH1 ARG A 22 2.337 -15.996 -12.726 1.00 4.10 N ATOM 357 NH2 ARG A 22 4.630 -16.093 -12.762 1.00 32.31 N ATOM 0 H ARG A 22 -0.392 -16.919 -11.524 1.00 71.31 H new ATOM 0 HA ARG A 22 -1.779 -16.552 -8.943 1.00 14.34 H new ATOM 0 HB2 ARG A 22 0.326 -15.757 -7.967 1.00 52.44 H new ATOM 0 HB3 ARG A 22 0.469 -17.428 -8.475 1.00 52.44 H new ATOM 0 HG2 ARG A 22 1.290 -15.389 -10.488 1.00 71.13 H new ATOM 0 HG3 ARG A 22 2.297 -15.500 -9.058 1.00 71.13 H new ATOM 0 HD2 ARG A 22 2.491 -17.979 -9.429 1.00 51.15 H new ATOM 0 HD3 ARG A 22 1.557 -17.809 -10.902 1.00 51.15 H new ATOM 0 HE ARG A 22 4.368 -17.231 -10.565 1.00 43.42 H new ATOM 0 HH11 ARG A 22 1.450 -16.194 -12.262 1.00 4.10 H new ATOM 0 HH12 ARG A 22 2.345 -15.523 -13.630 1.00 4.10 H new ATOM 0 HH21 ARG A 22 5.510 -16.366 -12.326 1.00 32.31 H new ATOM 0 HH22 ARG A 22 4.634 -15.620 -13.666 1.00 32.31 H new ATOM 371 N PHE A 23 -1.764 -14.032 -9.222 1.00 35.13 N ATOM 372 CA PHE A 23 -2.017 -12.634 -9.549 1.00 11.31 C ATOM 373 C PHE A 23 -1.420 -11.711 -8.491 1.00 3.05 C ATOM 374 O PHE A 23 -1.086 -12.147 -7.389 1.00 1.43 O ATOM 375 CB PHE A 23 -3.521 -12.380 -9.672 1.00 71.42 C ATOM 376 CG PHE A 23 -4.255 -12.482 -8.366 1.00 12.22 C ATOM 377 CD1 PHE A 23 -4.349 -11.387 -7.522 1.00 4.12 C ATOM 378 CD2 PHE A 23 -4.852 -13.672 -7.982 1.00 53.31 C ATOM 379 CE1 PHE A 23 -5.023 -11.478 -6.319 1.00 1.12 C ATOM 380 CE2 PHE A 23 -5.528 -13.769 -6.780 1.00 53.43 C ATOM 381 CZ PHE A 23 -5.615 -12.670 -5.948 1.00 45.31 C ATOM 0 H PHE A 23 -2.091 -14.315 -8.298 1.00 35.13 H new ATOM 0 HA PHE A 23 -1.540 -12.419 -10.505 1.00 11.31 H new ATOM 0 HB2 PHE A 23 -3.680 -11.387 -10.093 1.00 71.42 H new ATOM 0 HB3 PHE A 23 -3.946 -13.096 -10.375 1.00 71.42 H new ATOM 0 HD1 PHE A 23 -3.890 -10.452 -7.808 1.00 4.12 H new ATOM 0 HD2 PHE A 23 -4.788 -14.534 -8.629 1.00 53.31 H new ATOM 0 HE1 PHE A 23 -5.087 -10.618 -5.669 1.00 1.12 H new ATOM 0 HE2 PHE A 23 -5.987 -14.703 -6.492 1.00 53.43 H new ATOM 0 HZ PHE A 23 -6.145 -12.742 -5.010 1.00 45.31 H new ATOM 391 N SER A 24 -1.288 -10.434 -8.834 1.00 45.31 N ATOM 392 CA SER A 24 -0.726 -9.449 -7.916 1.00 74.41 C ATOM 393 C SER A 24 -1.820 -8.822 -7.057 1.00 31.51 C ATOM 394 O SER A 24 -2.802 -8.288 -7.573 1.00 45.34 O ATOM 395 CB SER A 24 0.014 -8.360 -8.694 1.00 4.13 C ATOM 396 OG SER A 24 0.611 -8.886 -9.867 1.00 34.24 O ATOM 0 H SER A 24 -1.562 -10.057 -9.741 1.00 45.31 H new ATOM 0 HA SER A 24 -0.021 -9.960 -7.260 1.00 74.41 H new ATOM 0 HB2 SER A 24 -0.681 -7.564 -8.962 1.00 4.13 H new ATOM 0 HB3 SER A 24 0.781 -7.914 -8.061 1.00 4.13 H new ATOM 0 HG SER A 24 1.076 -8.169 -10.347 1.00 34.24 H new ATOM 402 N PHE A 25 -1.643 -8.892 -5.742 1.00 35.44 N ATOM 403 CA PHE A 25 -2.615 -8.333 -4.809 1.00 20.11 C ATOM 404 C PHE A 25 -2.008 -7.177 -4.019 1.00 62.14 C ATOM 405 O PHE A 25 -0.787 -7.070 -3.894 1.00 72.24 O ATOM 406 CB PHE A 25 -3.113 -9.415 -3.849 1.00 33.23 C ATOM 407 CG PHE A 25 -4.260 -8.970 -2.986 1.00 43.35 C ATOM 408 CD1 PHE A 25 -5.528 -8.816 -3.522 1.00 50.04 C ATOM 409 CD2 PHE A 25 -4.069 -8.704 -1.640 1.00 64.20 C ATOM 410 CE1 PHE A 25 -6.585 -8.407 -2.732 1.00 13.43 C ATOM 411 CE2 PHE A 25 -5.122 -8.295 -0.844 1.00 40.14 C ATOM 412 CZ PHE A 25 -6.382 -8.145 -1.391 1.00 45.30 C ATOM 0 H PHE A 25 -0.836 -9.330 -5.298 1.00 35.44 H new ATOM 0 HA PHE A 25 -3.458 -7.953 -5.386 1.00 20.11 H new ATOM 0 HB2 PHE A 25 -3.420 -10.288 -4.426 1.00 33.23 H new ATOM 0 HB3 PHE A 25 -2.288 -9.729 -3.209 1.00 33.23 H new ATOM 0 HD1 PHE A 25 -5.692 -9.018 -4.570 1.00 50.04 H new ATOM 0 HD2 PHE A 25 -3.086 -8.818 -1.208 1.00 64.20 H new ATOM 0 HE1 PHE A 25 -7.569 -8.292 -3.162 1.00 13.43 H new ATOM 0 HE2 PHE A 25 -4.960 -8.093 0.205 1.00 40.14 H new ATOM 0 HZ PHE A 25 -7.206 -7.824 -0.771 1.00 45.30 H new ATOM 598 N GLY A 40 -14.362 -7.360 0.843 1.00 32.55 N ATOM 599 CA GLY A 40 -13.241 -6.617 0.300 1.00 64.32 C ATOM 600 C GLY A 40 -12.219 -7.516 -0.368 1.00 4.12 C ATOM 601 O GLY A 40 -12.164 -7.627 -1.593 1.00 32.02 O ATOM 0 HA2 GLY A 40 -13.608 -5.889 -0.423 1.00 64.32 H new ATOM 0 HA3 GLY A 40 -12.759 -6.056 1.101 1.00 64.32 H new ATOM 605 N PRO A 41 -11.383 -8.176 0.448 1.00 60.24 N ATOM 606 CA PRO A 41 -10.342 -9.080 -0.049 1.00 64.34 C ATOM 607 C PRO A 41 -10.921 -10.357 -0.650 1.00 45.32 C ATOM 608 O PRO A 41 -10.397 -10.885 -1.632 1.00 24.14 O ATOM 609 CB PRO A 41 -9.524 -9.402 1.204 1.00 63.23 C ATOM 610 CG PRO A 41 -10.472 -9.206 2.336 1.00 41.22 C ATOM 611 CD PRO A 41 -11.391 -8.091 1.918 1.00 62.33 C ATOM 0 HA PRO A 41 -9.759 -8.628 -0.851 1.00 64.34 H new ATOM 0 HB2 PRO A 41 -9.145 -10.424 1.178 1.00 63.23 H new ATOM 0 HB3 PRO A 41 -8.660 -8.744 1.293 1.00 63.23 H new ATOM 0 HG2 PRO A 41 -11.033 -10.119 2.538 1.00 41.22 H new ATOM 0 HG3 PRO A 41 -9.939 -8.950 3.252 1.00 41.22 H new ATOM 0 HD2 PRO A 41 -12.394 -8.224 2.323 1.00 62.33 H new ATOM 0 HD3 PRO A 41 -11.032 -7.123 2.267 1.00 62.33 H new ATOM 619 N CYS A 42 -12.003 -10.847 -0.056 1.00 41.51 N ATOM 620 CA CYS A 42 -12.653 -12.062 -0.533 1.00 61.10 C ATOM 621 C CYS A 42 -13.291 -11.837 -1.900 1.00 14.23 C ATOM 622 O CYS A 42 -13.000 -12.554 -2.857 1.00 15.45 O ATOM 623 CB CYS A 42 -13.712 -12.525 0.468 1.00 32.32 C ATOM 624 SG CYS A 42 -14.713 -13.917 -0.107 1.00 51.10 S ATOM 0 H CYS A 42 -12.449 -10.422 0.757 1.00 41.51 H new ATOM 0 HA CYS A 42 -11.893 -12.837 -0.631 1.00 61.10 H new ATOM 0 HB2 CYS A 42 -13.219 -12.806 1.399 1.00 32.32 H new ATOM 0 HB3 CYS A 42 -14.371 -11.687 0.697 1.00 32.32 H new ATOM 0 HG CYS A 42 -15.951 -13.737 0.248 1.00 51.10 H new ATOM 630 N GLU A 43 -14.164 -10.837 -1.982 1.00 30.30 N ATOM 631 CA GLU A 43 -14.845 -10.520 -3.231 1.00 55.05 C ATOM 632 C GLU A 43 -13.839 -10.246 -4.346 1.00 13.25 C ATOM 633 O GLU A 43 -14.107 -10.512 -5.517 1.00 62.13 O ATOM 634 CB GLU A 43 -15.760 -9.308 -3.046 1.00 13.43 C ATOM 635 CG GLU A 43 -15.056 -8.098 -2.454 1.00 23.52 C ATOM 636 CD GLU A 43 -15.914 -6.849 -2.488 1.00 2.25 C ATOM 637 OE1 GLU A 43 -16.729 -6.715 -3.424 1.00 41.33 O ATOM 638 OE2 GLU A 43 -15.770 -6.005 -1.578 1.00 75.22 O ATOM 0 H GLU A 43 -14.415 -10.234 -1.199 1.00 30.30 H new ATOM 0 HA GLU A 43 -15.449 -11.382 -3.514 1.00 55.05 H new ATOM 0 HB2 GLU A 43 -16.185 -9.034 -4.011 1.00 13.43 H new ATOM 0 HB3 GLU A 43 -16.592 -9.587 -2.399 1.00 13.43 H new ATOM 0 HG2 GLU A 43 -14.776 -8.314 -1.423 1.00 23.52 H new ATOM 0 HG3 GLU A 43 -14.133 -7.915 -3.003 1.00 23.52 H new ATOM 645 N ARG A 44 -12.682 -9.711 -3.971 1.00 24.42 N ATOM 646 CA ARG A 44 -11.636 -9.399 -4.937 1.00 61.15 C ATOM 647 C ARG A 44 -10.867 -10.657 -5.332 1.00 4.35 C ATOM 648 O ARG A 44 -10.713 -10.958 -6.516 1.00 34.21 O ATOM 649 CB ARG A 44 -10.673 -8.359 -4.361 1.00 73.13 C ATOM 650 CG ARG A 44 -10.906 -6.954 -4.892 1.00 0.11 C ATOM 651 CD ARG A 44 -12.336 -6.497 -4.649 1.00 42.53 C ATOM 652 NE ARG A 44 -12.558 -5.128 -5.107 1.00 42.34 N ATOM 653 CZ ARG A 44 -12.666 -4.790 -6.387 1.00 42.55 C ATOM 654 NH1 ARG A 44 -12.573 -5.716 -7.331 1.00 52.04 N ATOM 655 NH2 ARG A 44 -12.867 -3.522 -6.725 1.00 74.35 N ATOM 0 H ARG A 44 -12.445 -9.485 -3.005 1.00 24.42 H new ATOM 0 HA ARG A 44 -12.111 -8.990 -5.829 1.00 61.15 H new ATOM 0 HB2 ARG A 44 -10.769 -8.349 -3.275 1.00 73.13 H new ATOM 0 HB3 ARG A 44 -9.650 -8.659 -4.587 1.00 73.13 H new ATOM 0 HG2 ARG A 44 -10.215 -6.262 -4.410 1.00 0.11 H new ATOM 0 HG3 ARG A 44 -10.691 -6.927 -5.960 1.00 0.11 H new ATOM 0 HD2 ARG A 44 -13.023 -7.168 -5.164 1.00 42.53 H new ATOM 0 HD3 ARG A 44 -12.562 -6.565 -3.585 1.00 42.53 H new ATOM 0 HE ARG A 44 -12.634 -4.391 -4.406 1.00 42.34 H new ATOM 0 HH11 ARG A 44 -12.418 -6.691 -7.075 1.00 52.04 H new ATOM 0 HH12 ARG A 44 -12.656 -5.453 -8.313 1.00 52.04 H new ATOM 0 HH21 ARG A 44 -12.939 -2.807 -6.002 1.00 74.35 H new ATOM 0 HH22 ARG A 44 -12.950 -3.263 -7.708 1.00 74.35 H new ATOM 669 N LEU A 45 -10.384 -11.386 -4.332 1.00 34.43 N ATOM 670 CA LEU A 45 -9.630 -12.612 -4.573 1.00 52.41 C ATOM 671 C LEU A 45 -10.448 -13.601 -5.396 1.00 73.34 C ATOM 672 O LEU A 45 -10.008 -14.062 -6.450 1.00 64.42 O ATOM 673 CB LEU A 45 -9.220 -13.251 -3.246 1.00 31.34 C ATOM 674 CG LEU A 45 -8.786 -14.716 -3.312 1.00 72.11 C ATOM 675 CD1 LEU A 45 -7.664 -14.895 -4.322 1.00 43.14 C ATOM 676 CD2 LEU A 45 -8.353 -15.207 -1.938 1.00 40.13 C ATOM 0 H LEU A 45 -10.501 -11.150 -3.347 1.00 34.43 H new ATOM 0 HA LEU A 45 -8.733 -12.353 -5.136 1.00 52.41 H new ATOM 0 HB2 LEU A 45 -8.401 -12.669 -2.823 1.00 31.34 H new ATOM 0 HB3 LEU A 45 -10.058 -13.172 -2.553 1.00 31.34 H new ATOM 0 HG LEU A 45 -9.638 -15.313 -3.637 1.00 72.11 H new ATOM 0 HD11 LEU A 45 -7.368 -15.944 -4.355 1.00 43.14 H new ATOM 0 HD12 LEU A 45 -8.009 -14.584 -5.308 1.00 43.14 H new ATOM 0 HD13 LEU A 45 -6.809 -14.286 -4.028 1.00 43.14 H new ATOM 0 HD21 LEU A 45 -8.048 -16.251 -2.004 1.00 40.13 H new ATOM 0 HD22 LEU A 45 -7.515 -14.606 -1.584 1.00 40.13 H new ATOM 0 HD23 LEU A 45 -9.185 -15.116 -1.240 1.00 40.13 H new ATOM 688 N LEU A 46 -11.642 -13.922 -4.910 1.00 72.33 N ATOM 689 CA LEU A 46 -12.524 -14.856 -5.602 1.00 51.12 C ATOM 690 C LEU A 46 -12.794 -14.394 -7.031 1.00 3.44 C ATOM 691 O LEU A 46 -13.105 -15.200 -7.906 1.00 72.55 O ATOM 692 CB LEU A 46 -13.844 -14.999 -4.843 1.00 32.32 C ATOM 693 CG LEU A 46 -13.756 -15.646 -3.460 1.00 32.10 C ATOM 694 CD1 LEU A 46 -15.145 -15.841 -2.872 1.00 53.34 C ATOM 695 CD2 LEU A 46 -13.017 -16.974 -3.538 1.00 74.14 C ATOM 0 H LEU A 46 -12.022 -13.550 -4.040 1.00 72.33 H new ATOM 0 HA LEU A 46 -12.027 -15.825 -5.641 1.00 51.12 H new ATOM 0 HB2 LEU A 46 -14.285 -14.008 -4.731 1.00 32.32 H new ATOM 0 HB3 LEU A 46 -14.530 -15.586 -5.454 1.00 32.32 H new ATOM 0 HG LEU A 46 -13.196 -14.979 -2.804 1.00 32.10 H new ATOM 0 HD11 LEU A 46 -15.062 -16.303 -1.888 1.00 53.34 H new ATOM 0 HD12 LEU A 46 -15.640 -14.874 -2.779 1.00 53.34 H new ATOM 0 HD13 LEU A 46 -15.730 -16.486 -3.527 1.00 53.34 H new ATOM 0 HD21 LEU A 46 -12.964 -17.420 -2.545 1.00 74.14 H new ATOM 0 HD22 LEU A 46 -13.549 -17.647 -4.210 1.00 74.14 H new ATOM 0 HD23 LEU A 46 -12.008 -16.807 -3.915 1.00 74.14 H new ATOM 707 N SER A 47 -12.670 -13.090 -7.259 1.00 25.04 N ATOM 708 CA SER A 47 -12.901 -12.520 -8.580 1.00 53.35 C ATOM 709 C SER A 47 -11.793 -12.924 -9.548 1.00 75.14 C ATOM 710 O SER A 47 -12.060 -13.315 -10.685 1.00 45.22 O ATOM 711 CB SER A 47 -12.986 -10.995 -8.493 1.00 54.34 C ATOM 712 OG SER A 47 -14.277 -10.535 -8.854 1.00 52.53 O ATOM 0 H SER A 47 -12.411 -12.409 -6.545 1.00 25.04 H new ATOM 0 HA SER A 47 -13.847 -12.909 -8.956 1.00 53.35 H new ATOM 0 HB2 SER A 47 -12.752 -10.672 -7.479 1.00 54.34 H new ATOM 0 HB3 SER A 47 -12.240 -10.548 -9.150 1.00 54.34 H new ATOM 0 HG SER A 47 -14.306 -9.558 -8.789 1.00 52.53 H new ATOM 718 N ARG A 48 -10.550 -12.827 -9.089 1.00 33.22 N ATOM 719 CA ARG A 48 -9.401 -13.181 -9.913 1.00 72.32 C ATOM 720 C ARG A 48 -9.397 -14.674 -10.228 1.00 74.32 C ATOM 721 O ARG A 48 -9.293 -15.075 -11.388 1.00 3.34 O ATOM 722 CB ARG A 48 -8.101 -12.795 -9.206 1.00 22.11 C ATOM 723 CG ARG A 48 -8.139 -11.414 -8.573 1.00 43.31 C ATOM 724 CD ARG A 48 -8.567 -10.353 -9.576 1.00 24.34 C ATOM 725 NE ARG A 48 -7.975 -9.051 -9.281 1.00 21.01 N ATOM 726 CZ ARG A 48 -7.987 -8.029 -10.130 1.00 23.41 C ATOM 727 NH1 ARG A 48 -8.557 -8.158 -11.320 1.00 34.44 N ATOM 728 NH2 ARG A 48 -7.427 -6.875 -9.789 1.00 33.50 N ATOM 0 H ARG A 48 -10.313 -12.506 -8.150 1.00 33.22 H new ATOM 0 HA ARG A 48 -9.474 -12.629 -10.850 1.00 72.32 H new ATOM 0 HB2 ARG A 48 -7.884 -13.533 -8.434 1.00 22.11 H new ATOM 0 HB3 ARG A 48 -7.282 -12.834 -9.924 1.00 22.11 H new ATOM 0 HG2 ARG A 48 -8.829 -11.418 -7.729 1.00 43.31 H new ATOM 0 HG3 ARG A 48 -7.154 -11.166 -8.178 1.00 43.31 H new ATOM 0 HD2 ARG A 48 -8.276 -10.664 -10.579 1.00 24.34 H new ATOM 0 HD3 ARG A 48 -9.654 -10.267 -9.571 1.00 24.34 H new ATOM 0 HE ARG A 48 -7.528 -8.919 -8.374 1.00 21.01 H new ATOM 0 HH11 ARG A 48 -8.988 -9.044 -11.586 1.00 34.44 H new ATOM 0 HH12 ARG A 48 -8.565 -7.372 -11.970 1.00 34.44 H new ATOM 0 HH21 ARG A 48 -6.987 -6.772 -8.875 1.00 33.50 H new ATOM 0 HH22 ARG A 48 -7.437 -6.091 -10.441 1.00 33.50 H new ATOM 742 N VAL A 49 -9.512 -15.494 -9.188 1.00 0.33 N ATOM 743 CA VAL A 49 -9.522 -16.942 -9.353 1.00 34.31 C ATOM 744 C VAL A 49 -10.529 -17.367 -10.416 1.00 15.12 C ATOM 745 O VAL A 49 -10.326 -18.357 -11.117 1.00 73.24 O ATOM 746 CB VAL A 49 -9.858 -17.656 -8.030 1.00 4.34 C ATOM 747 CG1 VAL A 49 -9.816 -19.165 -8.211 1.00 60.32 C ATOM 748 CG2 VAL A 49 -8.902 -17.216 -6.931 1.00 21.01 C ATOM 0 H VAL A 49 -9.600 -15.179 -8.222 1.00 0.33 H new ATOM 0 HA VAL A 49 -8.520 -17.231 -9.669 1.00 34.31 H new ATOM 0 HB VAL A 49 -10.870 -17.378 -7.734 1.00 4.34 H new ATOM 0 HG11 VAL A 49 -10.056 -19.652 -7.266 1.00 60.32 H new ATOM 0 HG12 VAL A 49 -10.544 -19.461 -8.967 1.00 60.32 H new ATOM 0 HG13 VAL A 49 -8.818 -19.465 -8.531 1.00 60.32 H new ATOM 0 HG21 VAL A 49 -9.153 -17.730 -6.003 1.00 21.01 H new ATOM 0 HG22 VAL A 49 -7.880 -17.463 -7.217 1.00 21.01 H new ATOM 0 HG23 VAL A 49 -8.987 -16.139 -6.784 1.00 21.01 H new ATOM 758 N ALA A 50 -11.616 -16.610 -10.529 1.00 72.42 N ATOM 759 CA ALA A 50 -12.654 -16.907 -11.508 1.00 54.45 C ATOM 760 C ALA A 50 -12.160 -16.649 -12.928 1.00 10.32 C ATOM 761 O ALA A 50 -12.261 -17.514 -13.798 1.00 12.30 O ATOM 762 CB ALA A 50 -13.900 -16.081 -11.223 1.00 51.22 C ATOM 0 H ALA A 50 -11.800 -15.787 -9.955 1.00 72.42 H new ATOM 0 HA ALA A 50 -12.905 -17.964 -11.425 1.00 54.45 H new ATOM 0 HB1 ALA A 50 -14.667 -16.313 -11.962 1.00 51.22 H new ATOM 0 HB2 ALA A 50 -14.273 -16.317 -10.226 1.00 51.22 H new ATOM 0 HB3 ALA A 50 -13.654 -15.021 -11.276 1.00 51.22 H new ATOM 768 N VAL A 51 -11.625 -15.453 -13.155 1.00 75.13 N ATOM 769 CA VAL A 51 -11.115 -15.081 -14.469 1.00 61.54 C ATOM 770 C VAL A 51 -9.841 -15.850 -14.802 1.00 21.25 C ATOM 771 O VAL A 51 -9.469 -15.982 -15.968 1.00 63.52 O ATOM 772 CB VAL A 51 -10.826 -13.571 -14.553 1.00 14.22 C ATOM 773 CG1 VAL A 51 -9.891 -13.143 -13.433 1.00 25.14 C ATOM 774 CG2 VAL A 51 -10.243 -13.215 -15.912 1.00 5.54 C ATOM 0 H VAL A 51 -11.534 -14.726 -12.446 1.00 75.13 H new ATOM 0 HA VAL A 51 -11.890 -15.336 -15.192 1.00 61.54 H new ATOM 0 HB VAL A 51 -11.766 -13.032 -14.434 1.00 14.22 H new ATOM 0 HG11 VAL A 51 -9.698 -12.073 -13.509 1.00 25.14 H new ATOM 0 HG12 VAL A 51 -10.353 -13.361 -12.470 1.00 25.14 H new ATOM 0 HG13 VAL A 51 -8.951 -13.688 -13.516 1.00 25.14 H new ATOM 0 HG21 VAL A 51 -10.045 -12.144 -15.954 1.00 5.54 H new ATOM 0 HG22 VAL A 51 -9.313 -13.762 -16.063 1.00 5.54 H new ATOM 0 HG23 VAL A 51 -10.953 -13.483 -16.694 1.00 5.54 H new ATOM 784 N LEU A 52 -9.176 -16.356 -13.769 1.00 22.11 N ATOM 785 CA LEU A 52 -7.942 -17.113 -13.950 1.00 72.42 C ATOM 786 C LEU A 52 -8.238 -18.595 -14.159 1.00 35.13 C ATOM 787 O LEU A 52 -7.490 -19.299 -14.836 1.00 64.41 O ATOM 788 CB LEU A 52 -7.025 -16.930 -12.739 1.00 75.34 C ATOM 789 CG LEU A 52 -6.529 -15.507 -12.483 1.00 31.05 C ATOM 790 CD1 LEU A 52 -5.951 -15.388 -11.081 1.00 21.20 C ATOM 791 CD2 LEU A 52 -5.494 -15.107 -13.524 1.00 54.21 C ATOM 0 H LEU A 52 -9.471 -16.256 -12.798 1.00 22.11 H new ATOM 0 HA LEU A 52 -7.439 -16.733 -14.839 1.00 72.42 H new ATOM 0 HB2 LEU A 52 -7.556 -17.274 -11.851 1.00 75.34 H new ATOM 0 HB3 LEU A 52 -6.158 -17.579 -12.863 1.00 75.34 H new ATOM 0 HG LEU A 52 -7.377 -14.827 -12.564 1.00 31.05 H new ATOM 0 HD11 LEU A 52 -5.603 -14.368 -10.916 1.00 21.20 H new ATOM 0 HD12 LEU A 52 -6.720 -15.632 -10.348 1.00 21.20 H new ATOM 0 HD13 LEU A 52 -5.115 -16.079 -10.972 1.00 21.20 H new ATOM 0 HD21 LEU A 52 -5.152 -14.091 -13.326 1.00 54.21 H new ATOM 0 HD22 LEU A 52 -4.646 -15.791 -13.476 1.00 54.21 H new ATOM 0 HD23 LEU A 52 -5.941 -15.152 -14.517 1.00 54.21 H new ATOM 803 N PHE A 53 -9.337 -19.062 -13.574 1.00 3.44 N ATOM 804 CA PHE A 53 -9.733 -20.460 -13.696 1.00 52.40 C ATOM 805 C PHE A 53 -11.140 -20.577 -14.276 1.00 65.22 C ATOM 806 O PHE A 53 -12.093 -20.946 -13.590 1.00 2.12 O ATOM 807 CB PHE A 53 -9.673 -21.150 -12.332 1.00 65.31 C ATOM 808 CG PHE A 53 -8.282 -21.252 -11.773 1.00 32.01 C ATOM 809 CD1 PHE A 53 -7.410 -22.230 -12.223 1.00 40.22 C ATOM 810 CD2 PHE A 53 -7.848 -20.370 -10.797 1.00 22.04 C ATOM 811 CE1 PHE A 53 -6.130 -22.326 -11.711 1.00 3.00 C ATOM 812 CE2 PHE A 53 -6.569 -20.461 -10.281 1.00 63.00 C ATOM 813 CZ PHE A 53 -5.709 -21.441 -10.738 1.00 11.11 C ATOM 0 H PHE A 53 -9.969 -18.492 -13.011 1.00 3.44 H new ATOM 0 HA PHE A 53 -9.036 -20.952 -14.375 1.00 52.40 H new ATOM 0 HB2 PHE A 53 -10.300 -20.602 -11.628 1.00 65.31 H new ATOM 0 HB3 PHE A 53 -10.095 -22.151 -12.421 1.00 65.31 H new ATOM 0 HD1 PHE A 53 -7.734 -22.926 -12.983 1.00 40.22 H new ATOM 0 HD2 PHE A 53 -8.516 -19.603 -10.435 1.00 22.04 H new ATOM 0 HE1 PHE A 53 -5.460 -23.092 -12.071 1.00 3.00 H new ATOM 0 HE2 PHE A 53 -6.242 -19.767 -9.521 1.00 63.00 H new ATOM 0 HZ PHE A 53 -4.710 -21.515 -10.335 1.00 11.11 H new ATOM 823 N PRO A 54 -11.273 -20.256 -15.572 1.00 14.24 N ATOM 824 CA PRO A 54 -12.559 -20.317 -16.274 1.00 22.24 C ATOM 825 C PRO A 54 -13.040 -21.750 -16.478 1.00 43.33 C ATOM 826 O PRO A 54 -14.172 -21.980 -16.901 1.00 52.44 O ATOM 827 CB PRO A 54 -12.259 -19.656 -17.621 1.00 62.23 C ATOM 828 CG PRO A 54 -10.796 -19.852 -17.822 1.00 23.11 C ATOM 829 CD PRO A 54 -10.180 -19.808 -16.451 1.00 31.33 C ATOM 0 HA PRO A 54 -13.355 -19.828 -15.712 1.00 22.24 H new ATOM 0 HB2 PRO A 54 -12.834 -20.116 -18.425 1.00 62.23 H new ATOM 0 HB3 PRO A 54 -12.519 -18.597 -17.609 1.00 62.23 H new ATOM 0 HG2 PRO A 54 -10.593 -20.805 -18.310 1.00 23.11 H new ATOM 0 HG3 PRO A 54 -10.382 -19.072 -18.461 1.00 23.11 H new ATOM 0 HD2 PRO A 54 -9.312 -20.463 -16.379 1.00 31.33 H new ATOM 0 HD3 PRO A 54 -9.843 -18.804 -16.194 1.00 31.33 H new ATOM 837 N ALA A 55 -12.172 -22.709 -16.175 1.00 21.42 N ATOM 838 CA ALA A 55 -12.510 -24.120 -16.323 1.00 43.52 C ATOM 839 C ALA A 55 -13.765 -24.470 -15.531 1.00 42.22 C ATOM 840 O ALA A 55 -14.470 -25.425 -15.857 1.00 35.41 O ATOM 841 CB ALA A 55 -11.344 -24.991 -15.881 1.00 4.14 C ATOM 0 H ALA A 55 -11.230 -22.535 -15.826 1.00 21.42 H new ATOM 0 HA ALA A 55 -12.713 -24.311 -17.377 1.00 43.52 H new ATOM 0 HB1 ALA A 55 -11.610 -26.042 -15.997 1.00 4.14 H new ATOM 0 HB2 ALA A 55 -10.471 -24.768 -16.494 1.00 4.14 H new ATOM 0 HB3 ALA A 55 -11.114 -24.788 -14.835 1.00 4.14 H new ATOM 847 N LEU A 56 -14.038 -23.692 -14.490 1.00 4.34 N ATOM 848 CA LEU A 56 -15.208 -23.920 -13.650 1.00 33.22 C ATOM 849 C LEU A 56 -16.111 -22.691 -13.628 1.00 52.00 C ATOM 850 O LEU A 56 -15.860 -21.712 -14.330 1.00 41.44 O ATOM 851 CB LEU A 56 -14.777 -24.276 -12.226 1.00 14.22 C ATOM 852 CG LEU A 56 -13.822 -23.293 -11.549 1.00 5.04 C ATOM 853 CD1 LEU A 56 -14.543 -22.508 -10.464 1.00 51.24 C ATOM 854 CD2 LEU A 56 -12.623 -24.029 -10.968 1.00 44.04 C ATOM 0 H LEU A 56 -13.465 -22.897 -14.207 1.00 4.34 H new ATOM 0 HA LEU A 56 -15.770 -24.753 -14.072 1.00 33.22 H new ATOM 0 HB2 LEU A 56 -15.671 -24.366 -11.609 1.00 14.22 H new ATOM 0 HB3 LEU A 56 -14.303 -25.257 -12.246 1.00 14.22 H new ATOM 0 HG LEU A 56 -13.464 -22.590 -12.301 1.00 5.04 H new ATOM 0 HD11 LEU A 56 -13.847 -21.814 -9.994 1.00 51.24 H new ATOM 0 HD12 LEU A 56 -15.369 -21.950 -10.906 1.00 51.24 H new ATOM 0 HD13 LEU A 56 -14.931 -23.197 -9.714 1.00 51.24 H new ATOM 0 HD21 LEU A 56 -11.954 -23.314 -10.490 1.00 44.04 H new ATOM 0 HD22 LEU A 56 -12.964 -24.755 -10.231 1.00 44.04 H new ATOM 0 HD23 LEU A 56 -12.091 -24.546 -11.767 1.00 44.04 H new ATOM 866 N ARG A 57 -17.162 -22.749 -12.816 1.00 5.12 N ATOM 867 CA ARG A 57 -18.101 -21.640 -12.702 1.00 31.03 C ATOM 868 C ARG A 57 -17.389 -20.368 -12.251 1.00 62.02 C ATOM 869 O ARG A 57 -16.310 -20.408 -11.659 1.00 42.35 O ATOM 870 CB ARG A 57 -19.217 -21.989 -11.715 1.00 52.14 C ATOM 871 CG ARG A 57 -20.299 -22.877 -12.309 1.00 1.32 C ATOM 872 CD ARG A 57 -21.033 -23.657 -11.230 1.00 14.33 C ATOM 873 NE ARG A 57 -21.529 -24.939 -11.723 1.00 13.23 N ATOM 874 CZ ARG A 57 -22.466 -25.651 -11.106 1.00 52.32 C ATOM 875 NH1 ARG A 57 -23.006 -25.207 -9.979 1.00 71.43 N ATOM 876 NH2 ARG A 57 -22.865 -26.808 -11.617 1.00 72.42 N ATOM 0 H ARG A 57 -17.384 -23.552 -12.228 1.00 5.12 H new ATOM 0 HA ARG A 57 -18.536 -21.463 -13.686 1.00 31.03 H new ATOM 0 HB2 ARG A 57 -18.782 -22.490 -10.850 1.00 52.14 H new ATOM 0 HB3 ARG A 57 -19.673 -21.067 -11.354 1.00 52.14 H new ATOM 0 HG2 ARG A 57 -21.010 -22.265 -12.864 1.00 1.32 H new ATOM 0 HG3 ARG A 57 -19.852 -23.571 -13.021 1.00 1.32 H new ATOM 0 HD2 ARG A 57 -20.363 -23.827 -10.387 1.00 14.33 H new ATOM 0 HD3 ARG A 57 -21.869 -23.064 -10.859 1.00 14.33 H new ATOM 0 HE ARG A 57 -21.135 -25.308 -12.588 1.00 13.23 H new ATOM 0 HH11 ARG A 57 -22.702 -24.317 -9.584 1.00 71.43 H new ATOM 0 HH12 ARG A 57 -23.725 -25.755 -9.507 1.00 71.43 H new ATOM 0 HH21 ARG A 57 -22.453 -27.152 -12.484 1.00 72.42 H new ATOM 0 HH22 ARG A 57 -23.584 -27.354 -11.143 1.00 72.42 H new ATOM 890 N PRO A 58 -18.005 -19.211 -12.537 1.00 61.54 N ATOM 891 CA PRO A 58 -17.448 -17.906 -12.171 1.00 1.01 C ATOM 892 C PRO A 58 -17.480 -17.664 -10.666 1.00 12.13 C ATOM 893 O PRO A 58 -16.481 -17.264 -10.070 1.00 1.01 O ATOM 894 CB PRO A 58 -18.364 -16.914 -12.892 1.00 34.32 C ATOM 895 CG PRO A 58 -19.654 -17.641 -13.056 1.00 73.23 C ATOM 896 CD PRO A 58 -19.293 -19.089 -13.240 1.00 70.24 C ATOM 0 HA PRO A 58 -16.398 -17.818 -12.451 1.00 1.01 H new ATOM 0 HB2 PRO A 58 -18.495 -16.001 -12.311 1.00 34.32 H new ATOM 0 HB3 PRO A 58 -17.949 -16.621 -13.856 1.00 34.32 H new ATOM 0 HG2 PRO A 58 -20.292 -17.506 -12.183 1.00 73.23 H new ATOM 0 HG3 PRO A 58 -20.207 -17.264 -13.916 1.00 73.23 H new ATOM 0 HD2 PRO A 58 -20.048 -19.749 -12.813 1.00 70.24 H new ATOM 0 HD3 PRO A 58 -19.202 -19.350 -14.294 1.00 70.24 H new ATOM 904 N GLY A 59 -18.636 -17.910 -10.056 1.00 1.52 N ATOM 905 CA GLY A 59 -18.776 -17.713 -8.625 1.00 11.31 C ATOM 906 C GLY A 59 -19.266 -18.958 -7.914 1.00 32.35 C ATOM 907 O GLY A 59 -19.759 -18.886 -6.789 1.00 2.04 O ATOM 0 H GLY A 59 -19.477 -18.242 -10.527 1.00 1.52 H new ATOM 0 HA2 GLY A 59 -17.815 -17.414 -8.207 1.00 11.31 H new ATOM 0 HA3 GLY A 59 -19.472 -16.895 -8.440 1.00 11.31 H new ATOM 911 N GLY A 60 -19.133 -20.106 -8.572 1.00 45.42 N ATOM 912 CA GLY A 60 -19.572 -21.356 -7.981 1.00 1.00 C ATOM 913 C GLY A 60 -18.414 -22.210 -7.505 1.00 31.54 C ATOM 914 O GLY A 60 -18.293 -23.374 -7.888 1.00 62.11 O ATOM 0 H GLY A 60 -18.729 -20.192 -9.504 1.00 45.42 H new ATOM 0 HA2 GLY A 60 -20.233 -21.145 -7.141 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -20.155 -21.915 -8.713 1.00 1.00 H new ATOM 918 N PHE A 61 -17.559 -21.632 -6.667 1.00 74.32 N ATOM 919 CA PHE A 61 -16.403 -22.348 -6.140 1.00 14.12 C ATOM 920 C PHE A 61 -16.050 -21.854 -4.740 1.00 34.33 C ATOM 921 O PHE A 61 -16.405 -20.740 -4.356 1.00 71.13 O ATOM 922 CB PHE A 61 -15.202 -22.176 -7.071 1.00 42.14 C ATOM 923 CG PHE A 61 -14.536 -20.835 -6.950 1.00 13.11 C ATOM 924 CD1 PHE A 61 -15.129 -19.702 -7.484 1.00 5.23 C ATOM 925 CD2 PHE A 61 -13.318 -20.708 -6.302 1.00 41.33 C ATOM 926 CE1 PHE A 61 -14.519 -18.466 -7.373 1.00 61.23 C ATOM 927 CE2 PHE A 61 -12.704 -19.475 -6.188 1.00 41.25 C ATOM 928 CZ PHE A 61 -13.304 -18.353 -6.726 1.00 14.13 C ATOM 0 H PHE A 61 -17.645 -20.670 -6.339 1.00 74.32 H new ATOM 0 HA PHE A 61 -16.659 -23.406 -6.080 1.00 14.12 H new ATOM 0 HB2 PHE A 61 -14.472 -22.956 -6.856 1.00 42.14 H new ATOM 0 HB3 PHE A 61 -15.528 -22.319 -8.101 1.00 42.14 H new ATOM 0 HD1 PHE A 61 -16.078 -19.785 -7.993 1.00 5.23 H new ATOM 0 HD2 PHE A 61 -12.843 -21.582 -5.881 1.00 41.33 H new ATOM 0 HE1 PHE A 61 -14.992 -17.590 -7.792 1.00 61.23 H new ATOM 0 HE2 PHE A 61 -11.756 -19.389 -5.679 1.00 41.25 H new ATOM 0 HZ PHE A 61 -12.824 -17.389 -6.641 1.00 14.13 H new ATOM 938 N GLN A 62 -15.351 -22.693 -3.982 1.00 43.32 N ATOM 939 CA GLN A 62 -14.951 -22.342 -2.624 1.00 61.44 C ATOM 940 C GLN A 62 -13.444 -22.491 -2.445 1.00 44.33 C ATOM 941 O GLN A 62 -12.865 -23.517 -2.800 1.00 43.12 O ATOM 942 CB GLN A 62 -15.686 -23.221 -1.611 1.00 22.41 C ATOM 943 CG GLN A 62 -16.816 -22.505 -0.891 1.00 13.55 C ATOM 944 CD GLN A 62 -16.369 -21.205 -0.250 1.00 70.14 C ATOM 945 OE1 GLN A 62 -17.050 -20.184 -0.349 1.00 75.31 O ATOM 946 NE2 GLN A 62 -15.218 -21.236 0.411 1.00 31.21 N ATOM 0 H GLN A 62 -15.050 -23.619 -4.285 1.00 43.32 H new ATOM 0 HA GLN A 62 -15.218 -21.299 -2.451 1.00 61.44 H new ATOM 0 HB2 GLN A 62 -16.089 -24.094 -2.125 1.00 22.41 H new ATOM 0 HB3 GLN A 62 -14.971 -23.587 -0.874 1.00 22.41 H new ATOM 0 HG2 GLN A 62 -17.620 -22.299 -1.598 1.00 13.55 H new ATOM 0 HG3 GLN A 62 -17.227 -23.162 -0.124 1.00 13.55 H new ATOM 0 HE21 GLN A 62 -14.686 -22.104 0.468 1.00 31.21 H new ATOM 0 HE22 GLN A 62 -14.866 -20.392 0.862 1.00 31.21 H new ATOM 955 N ALA A 63 -12.814 -21.459 -1.893 1.00 10.12 N ATOM 956 CA ALA A 63 -11.374 -21.475 -1.665 1.00 74.32 C ATOM 957 C ALA A 63 -11.050 -21.868 -0.228 1.00 13.22 C ATOM 958 O ALA A 63 -11.555 -21.265 0.720 1.00 43.50 O ATOM 959 CB ALA A 63 -10.773 -20.116 -1.992 1.00 21.43 C ATOM 0 H ALA A 63 -13.278 -20.601 -1.595 1.00 10.12 H new ATOM 0 HA ALA A 63 -10.934 -22.222 -2.326 1.00 74.32 H new ATOM 0 HB1 ALA A 63 -9.697 -20.142 -1.817 1.00 21.43 H new ATOM 0 HB2 ALA A 63 -10.965 -19.875 -3.038 1.00 21.43 H new ATOM 0 HB3 ALA A 63 -11.225 -19.355 -1.356 1.00 21.43 H new ATOM 965 N HIS A 64 -10.206 -22.883 -0.072 1.00 50.33 N ATOM 966 CA HIS A 64 -9.815 -23.356 1.251 1.00 42.12 C ATOM 967 C HIS A 64 -8.396 -22.909 1.590 1.00 62.32 C ATOM 968 O HIS A 64 -7.486 -23.022 0.768 1.00 21.21 O ATOM 969 CB HIS A 64 -9.912 -24.880 1.320 1.00 34.10 C ATOM 970 CG HIS A 64 -11.299 -25.402 1.099 1.00 64.24 C ATOM 971 ND1 HIS A 64 -11.632 -26.733 1.233 1.00 21.42 N ATOM 972 CD2 HIS A 64 -12.440 -24.763 0.751 1.00 33.34 C ATOM 973 CE1 HIS A 64 -12.918 -26.891 0.977 1.00 72.12 C ATOM 974 NE2 HIS A 64 -13.432 -25.711 0.682 1.00 11.51 N ATOM 0 H HIS A 64 -9.780 -23.394 -0.845 1.00 50.33 H new ATOM 0 HA HIS A 64 -10.498 -22.923 1.981 1.00 42.12 H new ATOM 0 HB2 HIS A 64 -9.246 -25.313 0.573 1.00 34.10 H new ATOM 0 HB3 HIS A 64 -9.558 -25.215 2.295 1.00 34.10 H new ATOM 0 HD2 HIS A 64 -12.550 -23.705 0.563 1.00 33.34 H new ATOM 0 HE1 HIS A 64 -13.457 -27.826 1.004 1.00 72.12 H new ATOM 0 HE2 HIS A 64 -14.407 -25.532 0.442 1.00 11.51 H new ATOM 982 N TYR A 65 -8.215 -22.402 2.804 1.00 40.41 N ATOM 983 CA TYR A 65 -6.908 -21.935 3.250 1.00 3.02 C ATOM 984 C TYR A 65 -6.385 -22.794 4.398 1.00 71.04 C ATOM 985 O TYR A 65 -7.137 -23.175 5.295 1.00 40.10 O ATOM 986 CB TYR A 65 -6.988 -20.472 3.689 1.00 4.12 C ATOM 987 CG TYR A 65 -7.586 -20.284 5.065 1.00 22.31 C ATOM 988 CD1 TYR A 65 -6.784 -20.287 6.199 1.00 24.44 C ATOM 989 CD2 TYR A 65 -8.953 -20.103 5.231 1.00 75.05 C ATOM 990 CE1 TYR A 65 -7.326 -20.117 7.458 1.00 31.24 C ATOM 991 CE2 TYR A 65 -9.505 -19.931 6.486 1.00 45.44 C ATOM 992 CZ TYR A 65 -8.687 -19.939 7.596 1.00 2.13 C ATOM 993 OH TYR A 65 -9.231 -19.768 8.849 1.00 41.44 O ATOM 0 H TYR A 65 -8.957 -22.304 3.497 1.00 40.41 H new ATOM 0 HA TYR A 65 -6.216 -22.019 2.412 1.00 3.02 H new ATOM 0 HB2 TYR A 65 -5.986 -20.042 3.676 1.00 4.12 H new ATOM 0 HB3 TYR A 65 -7.583 -19.916 2.964 1.00 4.12 H new ATOM 0 HD1 TYR A 65 -5.718 -20.425 6.094 1.00 24.44 H new ATOM 0 HD2 TYR A 65 -9.596 -20.097 4.363 1.00 75.05 H new ATOM 0 HE1 TYR A 65 -6.688 -20.123 8.329 1.00 31.24 H new ATOM 0 HE2 TYR A 65 -10.570 -19.791 6.597 1.00 45.44 H new ATOM 0 HH TYR A 65 -10.201 -19.655 8.772 1.00 41.44 H new ATOM 1003 N ARG A 66 -5.091 -23.095 4.361 1.00 11.43 N ATOM 1004 CA ARG A 66 -4.466 -23.909 5.397 1.00 55.22 C ATOM 1005 C ARG A 66 -4.325 -23.121 6.696 1.00 21.31 C ATOM 1006 O ARG A 66 -3.740 -22.039 6.717 1.00 65.02 O ATOM 1007 CB ARG A 66 -3.093 -24.398 4.932 1.00 14.21 C ATOM 1008 CG ARG A 66 -3.158 -25.580 3.979 1.00 54.22 C ATOM 1009 CD ARG A 66 -3.638 -26.839 4.684 1.00 10.32 C ATOM 1010 NE ARG A 66 -3.128 -28.050 4.048 1.00 31.42 N ATOM 1011 CZ ARG A 66 -1.870 -28.463 4.155 1.00 42.54 C ATOM 1012 NH1 ARG A 66 -0.998 -27.764 4.869 1.00 50.24 N ATOM 1013 NH2 ARG A 66 -1.481 -29.576 3.546 1.00 33.04 N ATOM 0 H ARG A 66 -4.455 -22.788 3.625 1.00 11.43 H new ATOM 0 HA ARG A 66 -5.107 -24.771 5.583 1.00 55.22 H new ATOM 0 HB2 ARG A 66 -2.571 -23.576 4.443 1.00 14.21 H new ATOM 0 HB3 ARG A 66 -2.502 -24.677 5.804 1.00 14.21 H new ATOM 0 HG2 ARG A 66 -3.829 -25.346 3.153 1.00 54.22 H new ATOM 0 HG3 ARG A 66 -2.172 -25.756 3.549 1.00 54.22 H new ATOM 0 HD2 ARG A 66 -3.319 -26.815 5.726 1.00 10.32 H new ATOM 0 HD3 ARG A 66 -4.728 -26.861 4.685 1.00 10.32 H new ATOM 0 HE ARG A 66 -3.773 -28.610 3.491 1.00 31.42 H new ATOM 0 HH11 ARG A 66 -1.293 -26.907 5.337 1.00 50.24 H new ATOM 0 HH12 ARG A 66 -0.033 -28.083 4.950 1.00 50.24 H new ATOM 0 HH21 ARG A 66 -2.148 -30.116 2.995 1.00 33.04 H new ATOM 0 HH22 ARG A 66 -0.515 -29.892 3.629 1.00 33.04 H new ATOM 1027 N ALA A 67 -4.865 -23.672 7.778 1.00 75.31 N ATOM 1028 CA ALA A 67 -4.798 -23.023 9.081 1.00 52.51 C ATOM 1029 C ALA A 67 -3.678 -23.612 9.931 1.00 21.11 C ATOM 1030 O ALA A 67 -2.901 -24.442 9.460 1.00 4.43 O ATOM 1031 CB ALA A 67 -6.132 -23.147 9.802 1.00 11.12 C ATOM 0 H ALA A 67 -5.354 -24.567 7.778 1.00 75.31 H new ATOM 0 HA ALA A 67 -4.580 -21.967 8.922 1.00 52.51 H new ATOM 0 HB1 ALA A 67 -6.067 -22.658 10.774 1.00 11.12 H new ATOM 0 HB2 ALA A 67 -6.912 -22.672 9.208 1.00 11.12 H new ATOM 0 HB3 ALA A 67 -6.374 -24.201 9.942 1.00 11.12 H new ATOM 1037 N GLU A 68 -3.601 -23.177 11.185 1.00 34.41 N ATOM 1038 CA GLU A 68 -2.574 -23.662 12.100 1.00 73.14 C ATOM 1039 C GLU A 68 -2.643 -25.180 12.239 1.00 23.13 C ATOM 1040 O GLU A 68 -1.615 -25.854 12.312 1.00 72.31 O ATOM 1041 CB GLU A 68 -2.731 -23.005 13.473 1.00 71.05 C ATOM 1042 CG GLU A 68 -4.154 -23.037 14.003 1.00 14.44 C ATOM 1043 CD GLU A 68 -4.254 -22.547 15.435 1.00 30.22 C ATOM 1044 OE1 GLU A 68 -3.383 -22.915 16.250 1.00 2.15 O ATOM 1045 OE2 GLU A 68 -5.204 -21.796 15.740 1.00 41.32 O ATOM 0 H GLU A 68 -4.237 -22.490 11.590 1.00 34.41 H new ATOM 0 HA GLU A 68 -1.601 -23.396 11.688 1.00 73.14 H new ATOM 0 HB2 GLU A 68 -2.076 -23.508 14.184 1.00 71.05 H new ATOM 0 HB3 GLU A 68 -2.398 -21.969 13.411 1.00 71.05 H new ATOM 0 HG2 GLU A 68 -4.789 -22.420 13.367 1.00 14.44 H new ATOM 0 HG3 GLU A 68 -4.537 -24.056 13.944 1.00 14.44 H new ATOM 1052 N ARG A 69 -3.861 -25.711 12.277 1.00 43.41 N ATOM 1053 CA ARG A 69 -4.064 -27.148 12.410 1.00 71.22 C ATOM 1054 C ARG A 69 -3.560 -27.885 11.172 1.00 35.23 C ATOM 1055 O ARG A 69 -3.194 -29.058 11.242 1.00 55.35 O ATOM 1056 CB ARG A 69 -5.546 -27.457 12.633 1.00 42.35 C ATOM 1057 CG ARG A 69 -6.043 -27.087 14.020 1.00 11.53 C ATOM 1058 CD ARG A 69 -7.560 -27.157 14.106 1.00 63.12 C ATOM 1059 NE ARG A 69 -8.024 -27.315 15.482 1.00 43.25 N ATOM 1060 CZ ARG A 69 -9.294 -27.186 15.848 1.00 20.30 C ATOM 1061 NH1 ARG A 69 -10.222 -26.900 14.946 1.00 71.05 N ATOM 1062 NH2 ARG A 69 -9.638 -27.345 17.120 1.00 52.23 N ATOM 0 H ARG A 69 -4.722 -25.167 12.218 1.00 43.41 H new ATOM 0 HA ARG A 69 -3.495 -27.492 13.273 1.00 71.22 H new ATOM 0 HB2 ARG A 69 -6.136 -26.921 11.890 1.00 42.35 H new ATOM 0 HB3 ARG A 69 -5.716 -28.521 12.467 1.00 42.35 H new ATOM 0 HG2 ARG A 69 -5.604 -27.760 14.756 1.00 11.53 H new ATOM 0 HG3 ARG A 69 -5.709 -26.080 14.270 1.00 11.53 H new ATOM 0 HD2 ARG A 69 -7.989 -26.250 13.681 1.00 63.12 H new ATOM 0 HD3 ARG A 69 -7.919 -27.992 13.504 1.00 63.12 H new ATOM 0 HE ARG A 69 -7.335 -27.536 16.201 1.00 43.25 H new ATOM 0 HH11 ARG A 69 -9.962 -26.778 13.967 1.00 71.05 H new ATOM 0 HH12 ARG A 69 -11.197 -26.802 15.230 1.00 71.05 H new ATOM 0 HH21 ARG A 69 -8.927 -27.566 17.817 1.00 52.23 H new ATOM 0 HH22 ARG A 69 -10.614 -27.246 17.401 1.00 52.23 H new ATOM 1076 N GLY A 70 -3.546 -27.189 10.040 1.00 44.52 N ATOM 1077 CA GLY A 70 -3.086 -27.793 8.803 1.00 10.10 C ATOM 1078 C GLY A 70 -4.217 -28.409 8.003 1.00 0.25 C ATOM 1079 O GLY A 70 -3.990 -29.282 7.166 1.00 33.30 O ATOM 0 H GLY A 70 -3.845 -26.217 9.957 1.00 44.52 H new ATOM 0 HA2 GLY A 70 -2.586 -27.037 8.197 1.00 10.10 H new ATOM 0 HA3 GLY A 70 -2.346 -28.560 9.030 1.00 10.10 H new ATOM 1083 N ASP A 71 -5.438 -27.955 8.263 1.00 52.34 N ATOM 1084 CA ASP A 71 -6.609 -28.467 7.561 1.00 34.31 C ATOM 1085 C ASP A 71 -7.133 -27.444 6.558 1.00 30.11 C ATOM 1086 O ASP A 71 -6.604 -26.337 6.450 1.00 25.24 O ATOM 1087 CB ASP A 71 -7.710 -28.831 8.559 1.00 3.44 C ATOM 1088 CG ASP A 71 -7.816 -27.830 9.693 1.00 14.22 C ATOM 1089 OD1 ASP A 71 -7.592 -26.627 9.445 1.00 1.12 O ATOM 1090 OD2 ASP A 71 -8.124 -28.250 10.829 1.00 45.33 O ATOM 0 H ASP A 71 -5.643 -27.234 8.955 1.00 52.34 H new ATOM 0 HA ASP A 71 -6.312 -29.363 7.016 1.00 34.31 H new ATOM 0 HB2 ASP A 71 -8.665 -28.887 8.037 1.00 3.44 H new ATOM 0 HB3 ASP A 71 -7.512 -29.821 8.969 1.00 3.44 H new ATOM 1095 N LEU A 72 -8.175 -27.821 5.825 1.00 22.42 N ATOM 1096 CA LEU A 72 -8.770 -26.937 4.829 1.00 31.14 C ATOM 1097 C LEU A 72 -9.964 -26.187 5.411 1.00 30.14 C ATOM 1098 O LEU A 72 -10.896 -26.795 5.938 1.00 23.35 O ATOM 1099 CB LEU A 72 -9.206 -27.739 3.602 1.00 71.10 C ATOM 1100 CG LEU A 72 -8.081 -28.292 2.727 1.00 64.00 C ATOM 1101 CD1 LEU A 72 -8.652 -29.035 1.529 1.00 44.41 C ATOM 1102 CD2 LEU A 72 -7.159 -27.170 2.272 1.00 61.04 C ATOM 0 H LEU A 72 -8.625 -28.733 5.902 1.00 22.42 H new ATOM 0 HA LEU A 72 -8.017 -26.208 4.530 1.00 31.14 H new ATOM 0 HB2 LEU A 72 -9.821 -28.574 3.938 1.00 71.10 H new ATOM 0 HB3 LEU A 72 -9.841 -27.104 2.984 1.00 71.10 H new ATOM 0 HG LEU A 72 -7.498 -28.996 3.320 1.00 64.00 H new ATOM 0 HD11 LEU A 72 -7.836 -29.421 0.918 1.00 44.41 H new ATOM 0 HD12 LEU A 72 -9.270 -29.863 1.875 1.00 44.41 H new ATOM 0 HD13 LEU A 72 -9.260 -28.353 0.934 1.00 44.41 H new ATOM 0 HD21 LEU A 72 -6.364 -27.582 1.650 1.00 61.04 H new ATOM 0 HD22 LEU A 72 -7.729 -26.441 1.696 1.00 61.04 H new ATOM 0 HD23 LEU A 72 -6.722 -26.682 3.143 1.00 61.04 H new ATOM 1114 N VAL A 73 -9.931 -24.862 5.310 1.00 24.14 N ATOM 1115 CA VAL A 73 -11.011 -24.029 5.824 1.00 52.34 C ATOM 1116 C VAL A 73 -11.585 -23.137 4.728 1.00 34.22 C ATOM 1117 O VAL A 73 -10.996 -22.118 4.371 1.00 11.53 O ATOM 1118 CB VAL A 73 -10.533 -23.145 6.991 1.00 22.31 C ATOM 1119 CG1 VAL A 73 -11.662 -22.254 7.484 1.00 13.30 C ATOM 1120 CG2 VAL A 73 -9.989 -24.006 8.122 1.00 55.22 C ATOM 0 H VAL A 73 -9.168 -24.343 4.877 1.00 24.14 H new ATOM 0 HA VAL A 73 -11.787 -24.704 6.184 1.00 52.34 H new ATOM 0 HB VAL A 73 -9.728 -22.504 6.632 1.00 22.31 H new ATOM 0 HG11 VAL A 73 -11.305 -21.637 8.309 1.00 13.30 H new ATOM 0 HG12 VAL A 73 -12.001 -21.612 6.671 1.00 13.30 H new ATOM 0 HG13 VAL A 73 -12.491 -22.873 7.827 1.00 13.30 H new ATOM 0 HG21 VAL A 73 -9.655 -23.366 8.939 1.00 55.22 H new ATOM 0 HG22 VAL A 73 -10.773 -24.673 8.481 1.00 55.22 H new ATOM 0 HG23 VAL A 73 -9.149 -24.597 7.758 1.00 55.22 H new ATOM 1130 N ALA A 74 -12.740 -23.529 4.199 1.00 43.24 N ATOM 1131 CA ALA A 74 -13.395 -22.764 3.145 1.00 14.13 C ATOM 1132 C ALA A 74 -13.719 -21.349 3.614 1.00 23.32 C ATOM 1133 O ALA A 74 -14.645 -21.141 4.398 1.00 1.21 O ATOM 1134 CB ALA A 74 -14.662 -23.473 2.688 1.00 2.15 C ATOM 0 H ALA A 74 -13.241 -24.371 4.483 1.00 43.24 H new ATOM 0 HA ALA A 74 -12.708 -22.691 2.302 1.00 14.13 H new ATOM 0 HB1 ALA A 74 -15.141 -22.891 1.901 1.00 2.15 H new ATOM 0 HB2 ALA A 74 -14.408 -24.461 2.305 1.00 2.15 H new ATOM 0 HB3 ALA A 74 -15.346 -23.575 3.531 1.00 2.15 H new ATOM 1140 N PHE A 75 -12.949 -20.380 3.130 1.00 31.11 N ATOM 1141 CA PHE A 75 -13.153 -18.985 3.501 1.00 2.33 C ATOM 1142 C PHE A 75 -14.022 -18.269 2.471 1.00 34.35 C ATOM 1143 O PHE A 75 -13.959 -18.563 1.278 1.00 64.22 O ATOM 1144 CB PHE A 75 -11.807 -18.269 3.635 1.00 52.33 C ATOM 1145 CG PHE A 75 -11.117 -18.040 2.321 1.00 62.24 C ATOM 1146 CD1 PHE A 75 -11.389 -16.909 1.567 1.00 22.45 C ATOM 1147 CD2 PHE A 75 -10.195 -18.956 1.839 1.00 55.15 C ATOM 1148 CE1 PHE A 75 -10.755 -16.697 0.358 1.00 74.35 C ATOM 1149 CE2 PHE A 75 -9.559 -18.749 0.629 1.00 4.14 C ATOM 1150 CZ PHE A 75 -9.838 -17.617 -0.112 1.00 33.55 C ATOM 0 H PHE A 75 -12.178 -20.535 2.480 1.00 31.11 H new ATOM 0 HA PHE A 75 -13.667 -18.962 4.462 1.00 2.33 H new ATOM 0 HB2 PHE A 75 -11.963 -17.309 4.127 1.00 52.33 H new ATOM 0 HB3 PHE A 75 -11.155 -18.856 4.281 1.00 52.33 H new ATOM 0 HD1 PHE A 75 -12.105 -16.185 1.929 1.00 22.45 H new ATOM 0 HD2 PHE A 75 -9.971 -19.842 2.415 1.00 55.15 H new ATOM 0 HE1 PHE A 75 -10.976 -15.812 -0.220 1.00 74.35 H new ATOM 0 HE2 PHE A 75 -8.845 -19.472 0.263 1.00 4.14 H new ATOM 0 HZ PHE A 75 -9.341 -17.452 -1.056 1.00 33.55 H new ATOM 1160 N SER A 76 -14.835 -17.329 2.943 1.00 50.02 N ATOM 1161 CA SER A 76 -15.721 -16.574 2.065 1.00 72.13 C ATOM 1162 C SER A 76 -16.123 -15.250 2.707 1.00 42.55 C ATOM 1163 O SER A 76 -17.220 -14.742 2.474 1.00 20.03 O ATOM 1164 CB SER A 76 -16.970 -17.395 1.738 1.00 52.24 C ATOM 1165 OG SER A 76 -17.969 -17.220 2.727 1.00 11.53 O ATOM 0 H SER A 76 -14.898 -17.072 3.928 1.00 50.02 H new ATOM 0 HA SER A 76 -15.182 -16.361 1.142 1.00 72.13 H new ATOM 0 HB2 SER A 76 -17.361 -17.096 0.765 1.00 52.24 H new ATOM 0 HB3 SER A 76 -16.707 -18.450 1.666 1.00 52.24 H new ATOM 0 HG SER A 76 -18.302 -16.299 2.696 1.00 11.53 H new ATOM 1171 N SER A 77 -15.226 -14.695 3.515 1.00 25.03 N ATOM 1172 CA SER A 77 -15.486 -13.431 4.195 1.00 75.43 C ATOM 1173 C SER A 77 -14.186 -12.682 4.467 1.00 64.21 C ATOM 1174 O SER A 77 -13.144 -13.292 4.708 1.00 22.32 O ATOM 1175 CB SER A 77 -16.230 -13.679 5.509 1.00 54.55 C ATOM 1176 OG SER A 77 -16.403 -12.472 6.232 1.00 61.14 O ATOM 0 H SER A 77 -14.312 -15.101 3.715 1.00 25.03 H new ATOM 0 HA SER A 77 -16.108 -12.817 3.543 1.00 75.43 H new ATOM 0 HB2 SER A 77 -17.203 -14.125 5.301 1.00 54.55 H new ATOM 0 HB3 SER A 77 -15.674 -14.394 6.116 1.00 54.55 H new ATOM 0 HG SER A 77 -17.141 -12.575 6.868 1.00 61.14 H new ATOM 1182 N ASP A 78 -14.254 -11.356 4.426 1.00 34.20 N ATOM 1183 CA ASP A 78 -13.083 -10.522 4.669 1.00 13.10 C ATOM 1184 C ASP A 78 -12.413 -10.897 5.987 1.00 12.32 C ATOM 1185 O ASP A 78 -11.187 -10.929 6.083 1.00 1.44 O ATOM 1186 CB ASP A 78 -13.478 -9.044 4.685 1.00 22.31 C ATOM 1187 CG ASP A 78 -14.476 -8.723 5.780 1.00 71.50 C ATOM 1188 OD1 ASP A 78 -15.570 -9.326 5.781 1.00 31.32 O ATOM 1189 OD2 ASP A 78 -14.163 -7.870 6.636 1.00 32.22 O ATOM 0 H ASP A 78 -15.108 -10.835 4.227 1.00 34.20 H new ATOM 0 HA ASP A 78 -12.372 -10.691 3.860 1.00 13.10 H new ATOM 0 HB2 ASP A 78 -12.585 -8.434 4.821 1.00 22.31 H new ATOM 0 HB3 ASP A 78 -13.904 -8.774 3.719 1.00 22.31 H new ATOM 1194 N GLU A 79 -13.227 -11.178 7.000 1.00 70.30 N ATOM 1195 CA GLU A 79 -12.712 -11.549 8.313 1.00 42.32 C ATOM 1196 C GLU A 79 -11.845 -12.801 8.223 1.00 23.24 C ATOM 1197 O GLU A 79 -10.927 -12.991 9.021 1.00 41.22 O ATOM 1198 CB GLU A 79 -13.865 -11.782 9.291 1.00 73.44 C ATOM 1199 CG GLU A 79 -14.741 -12.969 8.926 1.00 30.53 C ATOM 1200 CD GLU A 79 -16.181 -12.788 9.364 1.00 33.13 C ATOM 1201 OE1 GLU A 79 -16.457 -11.831 10.117 1.00 11.12 O ATOM 1202 OE2 GLU A 79 -17.033 -13.604 8.953 1.00 21.15 O ATOM 0 H GLU A 79 -14.245 -11.156 6.937 1.00 70.30 H new ATOM 0 HA GLU A 79 -12.096 -10.727 8.679 1.00 42.32 H new ATOM 0 HB2 GLU A 79 -13.458 -11.935 10.290 1.00 73.44 H new ATOM 0 HB3 GLU A 79 -14.482 -10.885 9.333 1.00 73.44 H new ATOM 0 HG2 GLU A 79 -14.710 -13.121 7.847 1.00 30.53 H new ATOM 0 HG3 GLU A 79 -14.336 -13.870 9.386 1.00 30.53 H new ATOM 1209 N GLU A 80 -12.144 -13.653 7.247 1.00 1.43 N ATOM 1210 CA GLU A 80 -11.393 -14.888 7.055 1.00 43.53 C ATOM 1211 C GLU A 80 -10.080 -14.618 6.325 1.00 51.42 C ATOM 1212 O GLU A 80 -9.089 -15.322 6.524 1.00 13.23 O ATOM 1213 CB GLU A 80 -12.227 -15.901 6.268 1.00 12.25 C ATOM 1214 CG GLU A 80 -13.396 -16.468 7.056 1.00 72.30 C ATOM 1215 CD GLU A 80 -12.952 -17.255 8.274 1.00 72.23 C ATOM 1216 OE1 GLU A 80 -12.504 -18.408 8.105 1.00 71.33 O ATOM 1217 OE2 GLU A 80 -13.053 -16.717 9.396 1.00 2.22 O ATOM 0 H GLU A 80 -12.900 -13.511 6.578 1.00 1.43 H new ATOM 0 HA GLU A 80 -11.165 -15.301 8.038 1.00 43.53 H new ATOM 0 HB2 GLU A 80 -12.606 -15.423 5.364 1.00 12.25 H new ATOM 0 HB3 GLU A 80 -11.583 -16.720 5.949 1.00 12.25 H new ATOM 0 HG2 GLU A 80 -14.046 -15.652 7.372 1.00 72.30 H new ATOM 0 HG3 GLU A 80 -13.988 -17.113 6.407 1.00 72.30 H new ATOM 1224 N LEU A 81 -10.081 -13.594 5.478 1.00 24.11 N ATOM 1225 CA LEU A 81 -8.891 -13.230 4.717 1.00 65.11 C ATOM 1226 C LEU A 81 -7.862 -12.542 5.610 1.00 74.55 C ATOM 1227 O LEU A 81 -6.695 -12.933 5.647 1.00 72.52 O ATOM 1228 CB LEU A 81 -9.267 -12.312 3.552 1.00 22.44 C ATOM 1229 CG LEU A 81 -9.768 -13.007 2.285 1.00 3.44 C ATOM 1230 CD1 LEU A 81 -8.721 -13.976 1.759 1.00 71.14 C ATOM 1231 CD2 LEU A 81 -11.079 -13.730 2.557 1.00 42.04 C ATOM 0 H LEU A 81 -10.892 -13.002 5.301 1.00 24.11 H new ATOM 0 HA LEU A 81 -8.449 -14.145 4.323 1.00 65.11 H new ATOM 0 HB2 LEU A 81 -10.039 -11.622 3.893 1.00 22.44 H new ATOM 0 HB3 LEU A 81 -8.395 -11.712 3.293 1.00 22.44 H new ATOM 0 HG LEU A 81 -9.946 -12.248 1.523 1.00 3.44 H new ATOM 0 HD11 LEU A 81 -9.095 -14.461 0.857 1.00 71.14 H new ATOM 0 HD12 LEU A 81 -7.806 -13.432 1.525 1.00 71.14 H new ATOM 0 HD13 LEU A 81 -8.511 -14.731 2.517 1.00 71.14 H new ATOM 0 HD21 LEU A 81 -11.421 -14.219 1.645 1.00 42.04 H new ATOM 0 HD22 LEU A 81 -10.927 -14.478 3.335 1.00 42.04 H new ATOM 0 HD23 LEU A 81 -11.829 -13.011 2.887 1.00 42.04 H new ATOM 1243 N THR A 82 -8.304 -11.516 6.330 1.00 21.11 N ATOM 1244 CA THR A 82 -7.423 -10.775 7.224 1.00 52.54 C ATOM 1245 C THR A 82 -6.696 -11.711 8.182 1.00 74.44 C ATOM 1246 O THR A 82 -5.581 -11.426 8.617 1.00 71.35 O ATOM 1247 CB THR A 82 -8.204 -9.728 8.041 1.00 41.23 C ATOM 1248 OG1 THR A 82 -7.296 -8.793 8.634 1.00 50.31 O ATOM 1249 CG2 THR A 82 -9.032 -10.397 9.127 1.00 31.21 C ATOM 0 H THR A 82 -9.267 -11.179 6.312 1.00 21.11 H new ATOM 0 HA THR A 82 -6.693 -10.265 6.596 1.00 52.54 H new ATOM 0 HB THR A 82 -8.878 -9.201 7.366 1.00 41.23 H new ATOM 0 HG1 THR A 82 -7.800 -8.130 9.150 1.00 50.31 H new ATOM 0 HG21 THR A 82 -9.574 -9.638 9.691 1.00 31.21 H new ATOM 0 HG22 THR A 82 -9.742 -11.086 8.670 1.00 31.21 H new ATOM 0 HG23 THR A 82 -8.374 -10.947 9.800 1.00 31.21 H new ATOM 1257 N MET A 83 -7.335 -12.831 8.506 1.00 54.30 N ATOM 1258 CA MET A 83 -6.747 -13.811 9.412 1.00 54.32 C ATOM 1259 C MET A 83 -5.790 -14.734 8.666 1.00 64.30 C ATOM 1260 O MET A 83 -4.806 -15.211 9.231 1.00 31.24 O ATOM 1261 CB MET A 83 -7.845 -14.634 10.089 1.00 61.03 C ATOM 1262 CG MET A 83 -7.502 -15.053 11.509 1.00 1.52 C ATOM 1263 SD MET A 83 -8.623 -16.310 12.153 1.00 43.13 S ATOM 1264 CE MET A 83 -10.081 -15.325 12.486 1.00 52.03 C ATOM 0 H MET A 83 -8.259 -13.082 8.155 1.00 54.30 H new ATOM 0 HA MET A 83 -6.184 -13.273 10.175 1.00 54.32 H new ATOM 0 HB2 MET A 83 -8.767 -14.053 10.103 1.00 61.03 H new ATOM 0 HB3 MET A 83 -8.039 -15.526 9.493 1.00 61.03 H new ATOM 0 HG2 MET A 83 -6.481 -15.435 11.534 1.00 1.52 H new ATOM 0 HG3 MET A 83 -7.531 -14.178 12.159 1.00 1.52 H new ATOM 0 HE1 MET A 83 -10.867 -15.963 12.891 1.00 52.03 H new ATOM 0 HE2 MET A 83 -9.837 -14.547 13.209 1.00 52.03 H new ATOM 0 HE3 MET A 83 -10.428 -14.865 11.561 1.00 52.03 H new ATOM 1274 N ALA A 84 -6.084 -14.982 7.394 1.00 60.50 N ATOM 1275 CA ALA A 84 -5.248 -15.847 6.571 1.00 22.51 C ATOM 1276 C ALA A 84 -3.877 -15.222 6.334 1.00 74.03 C ATOM 1277 O ALA A 84 -2.851 -15.891 6.450 1.00 51.02 O ATOM 1278 CB ALA A 84 -5.934 -16.139 5.245 1.00 51.53 C ATOM 0 H ALA A 84 -6.895 -14.596 6.911 1.00 60.50 H new ATOM 0 HA ALA A 84 -5.103 -16.786 7.106 1.00 22.51 H new ATOM 0 HB1 ALA A 84 -5.298 -16.786 4.641 1.00 51.53 H new ATOM 0 HB2 ALA A 84 -6.886 -16.636 5.430 1.00 51.53 H new ATOM 0 HB3 ALA A 84 -6.110 -15.204 4.713 1.00 51.53 H new ATOM 1284 N MET A 85 -3.869 -13.936 6.000 1.00 10.41 N ATOM 1285 CA MET A 85 -2.624 -13.220 5.747 1.00 63.32 C ATOM 1286 C MET A 85 -1.709 -13.272 6.967 1.00 71.55 C ATOM 1287 O MET A 85 -0.495 -13.108 6.851 1.00 64.42 O ATOM 1288 CB MET A 85 -2.913 -11.765 5.374 1.00 72.13 C ATOM 1289 CG MET A 85 -3.309 -11.578 3.918 1.00 31.21 C ATOM 1290 SD MET A 85 -1.885 -11.372 2.832 1.00 62.42 S ATOM 1291 CE MET A 85 -2.689 -11.267 1.235 1.00 13.30 C ATOM 0 H MET A 85 -4.710 -13.368 5.898 1.00 10.41 H new ATOM 0 HA MET A 85 -2.118 -13.707 4.914 1.00 63.32 H new ATOM 0 HB2 MET A 85 -3.713 -11.387 6.011 1.00 72.13 H new ATOM 0 HB3 MET A 85 -2.029 -11.163 5.582 1.00 72.13 H new ATOM 0 HG2 MET A 85 -3.890 -12.440 3.590 1.00 31.21 H new ATOM 0 HG3 MET A 85 -3.957 -10.706 3.831 1.00 31.21 H new ATOM 0 HE1 MET A 85 -1.937 -11.138 0.457 1.00 13.30 H new ATOM 0 HE2 MET A 85 -3.250 -12.183 1.049 1.00 13.30 H new ATOM 0 HE3 MET A 85 -3.370 -10.416 1.226 1.00 13.30 H new ATOM 1301 N SER A 86 -2.300 -13.501 8.135 1.00 74.53 N ATOM 1302 CA SER A 86 -1.539 -13.571 9.376 1.00 2.03 C ATOM 1303 C SER A 86 -0.682 -14.833 9.418 1.00 14.14 C ATOM 1304 O SER A 86 0.289 -14.913 10.171 1.00 50.42 O ATOM 1305 CB SER A 86 -2.482 -13.541 10.580 1.00 12.24 C ATOM 1306 OG SER A 86 -1.760 -13.389 11.790 1.00 12.52 O ATOM 0 H SER A 86 -3.304 -13.641 8.248 1.00 74.53 H new ATOM 0 HA SER A 86 -0.880 -12.704 9.418 1.00 2.03 H new ATOM 0 HB2 SER A 86 -3.191 -12.720 10.470 1.00 12.24 H new ATOM 0 HB3 SER A 86 -3.064 -14.462 10.613 1.00 12.24 H new ATOM 0 HG SER A 86 -2.386 -13.371 12.544 1.00 12.52 H new ATOM 1312 N TYR A 87 -1.050 -15.817 8.605 1.00 1.22 N ATOM 1313 CA TYR A 87 -0.318 -17.077 8.550 1.00 1.42 C ATOM 1314 C TYR A 87 0.877 -16.972 7.607 1.00 11.23 C ATOM 1315 O TYR A 87 2.009 -17.275 7.984 1.00 31.23 O ATOM 1316 CB TYR A 87 -1.242 -18.208 8.097 1.00 62.12 C ATOM 1317 CG TYR A 87 -2.314 -18.555 9.105 1.00 61.20 C ATOM 1318 CD1 TYR A 87 -3.510 -17.849 9.147 1.00 71.40 C ATOM 1319 CD2 TYR A 87 -2.131 -19.588 10.016 1.00 65.00 C ATOM 1320 CE1 TYR A 87 -4.492 -18.162 10.067 1.00 73.43 C ATOM 1321 CE2 TYR A 87 -3.108 -19.909 10.938 1.00 3.01 C ATOM 1322 CZ TYR A 87 -4.287 -19.193 10.960 1.00 64.22 C ATOM 1323 OH TYR A 87 -5.262 -19.509 11.878 1.00 42.12 O ATOM 0 H TYR A 87 -1.851 -15.766 7.975 1.00 1.22 H new ATOM 0 HA TYR A 87 0.051 -17.298 9.552 1.00 1.42 H new ATOM 0 HB2 TYR A 87 -1.717 -17.924 7.158 1.00 62.12 H new ATOM 0 HB3 TYR A 87 -0.643 -19.096 7.896 1.00 62.12 H new ATOM 0 HD1 TYR A 87 -3.675 -17.042 8.449 1.00 71.40 H new ATOM 0 HD2 TYR A 87 -1.209 -20.150 10.003 1.00 65.00 H new ATOM 0 HE1 TYR A 87 -5.415 -17.602 10.087 1.00 73.43 H new ATOM 0 HE2 TYR A 87 -2.950 -20.716 11.638 1.00 3.01 H new ATOM 0 HH TYR A 87 -4.960 -20.259 12.431 1.00 42.12 H new ATOM 1333 N VAL A 88 0.616 -16.539 6.378 1.00 51.11 N ATOM 1334 CA VAL A 88 1.669 -16.391 5.380 1.00 75.42 C ATOM 1335 C VAL A 88 2.785 -15.486 5.888 1.00 31.20 C ATOM 1336 O VAL A 88 2.552 -14.326 6.229 1.00 24.21 O ATOM 1337 CB VAL A 88 1.116 -15.816 4.062 1.00 31.31 C ATOM 1338 CG1 VAL A 88 0.382 -14.509 4.316 1.00 12.44 C ATOM 1339 CG2 VAL A 88 2.239 -15.620 3.055 1.00 53.23 C ATOM 0 H VAL A 88 -0.315 -16.284 6.049 1.00 51.11 H new ATOM 0 HA VAL A 88 2.070 -17.387 5.193 1.00 75.42 H new ATOM 0 HB VAL A 88 0.404 -16.528 3.645 1.00 31.31 H new ATOM 0 HG11 VAL A 88 -0.001 -14.118 3.374 1.00 12.44 H new ATOM 0 HG12 VAL A 88 -0.448 -14.685 5.000 1.00 12.44 H new ATOM 0 HG13 VAL A 88 1.068 -13.786 4.756 1.00 12.44 H new ATOM 0 HG21 VAL A 88 1.831 -15.213 2.130 1.00 53.23 H new ATOM 0 HG22 VAL A 88 2.976 -14.928 3.462 1.00 53.23 H new ATOM 0 HG23 VAL A 88 2.716 -16.579 2.851 1.00 53.23 H new ATOM 1349 N LYS A 89 3.999 -16.023 5.936 1.00 62.51 N ATOM 1350 CA LYS A 89 5.154 -15.265 6.401 1.00 43.22 C ATOM 1351 C LYS A 89 5.879 -14.606 5.231 1.00 23.43 C ATOM 1352 O LYS A 89 6.593 -13.619 5.408 1.00 61.01 O ATOM 1353 CB LYS A 89 6.117 -16.178 7.163 1.00 63.35 C ATOM 1354 CG LYS A 89 5.489 -16.854 8.369 1.00 12.31 C ATOM 1355 CD LYS A 89 5.419 -15.914 9.561 1.00 54.42 C ATOM 1356 CE LYS A 89 5.154 -16.671 10.853 1.00 2.21 C ATOM 1357 NZ LYS A 89 4.551 -15.795 11.895 1.00 35.14 N ATOM 0 H LYS A 89 4.209 -16.982 5.658 1.00 62.51 H new ATOM 0 HA LYS A 89 4.798 -14.483 7.072 1.00 43.22 H new ATOM 0 HB2 LYS A 89 6.493 -16.943 6.484 1.00 63.35 H new ATOM 0 HB3 LYS A 89 6.976 -15.593 7.491 1.00 63.35 H new ATOM 0 HG2 LYS A 89 4.486 -17.196 8.114 1.00 12.31 H new ATOM 0 HG3 LYS A 89 6.069 -17.738 8.635 1.00 12.31 H new ATOM 0 HD2 LYS A 89 6.356 -15.363 9.647 1.00 54.42 H new ATOM 0 HD3 LYS A 89 4.630 -15.179 9.400 1.00 54.42 H new ATOM 0 HE2 LYS A 89 4.487 -17.509 10.653 1.00 2.21 H new ATOM 0 HE3 LYS A 89 6.088 -17.090 11.227 1.00 2.21 H new ATOM 0 HZ1 LYS A 89 4.386 -16.348 12.760 1.00 35.14 H new ATOM 0 HZ2 LYS A 89 5.199 -15.009 12.105 1.00 35.14 H new ATOM 0 HZ3 LYS A 89 3.647 -15.415 11.549 1.00 35.14 H new ATOM 1371 N ASP A 90 5.690 -15.158 4.038 1.00 62.31 N ATOM 1372 CA ASP A 90 6.324 -14.623 2.839 1.00 43.23 C ATOM 1373 C ASP A 90 5.380 -13.680 2.099 1.00 33.52 C ATOM 1374 O ASP A 90 4.335 -13.295 2.624 1.00 74.41 O ATOM 1375 CB ASP A 90 6.757 -15.761 1.913 1.00 1.12 C ATOM 1376 CG ASP A 90 7.439 -16.889 2.662 1.00 13.04 C ATOM 1377 OD1 ASP A 90 8.597 -16.703 3.089 1.00 44.44 O ATOM 1378 OD2 ASP A 90 6.814 -17.959 2.822 1.00 53.41 O ATOM 0 H ASP A 90 5.103 -15.976 3.875 1.00 62.31 H new ATOM 0 HA ASP A 90 7.205 -14.059 3.145 1.00 43.23 H new ATOM 0 HB2 ASP A 90 5.884 -16.152 1.390 1.00 1.12 H new ATOM 0 HB3 ASP A 90 7.435 -15.370 1.154 1.00 1.12 H new ATOM 1383 N ASP A 91 5.755 -13.312 0.879 1.00 20.33 N ATOM 1384 CA ASP A 91 4.941 -12.415 0.067 1.00 5.13 C ATOM 1385 C ASP A 91 4.102 -13.200 -0.936 1.00 65.20 C ATOM 1386 O ASP A 91 3.700 -12.671 -1.972 1.00 43.35 O ATOM 1387 CB ASP A 91 5.831 -11.411 -0.668 1.00 13.20 C ATOM 1388 CG ASP A 91 7.019 -12.072 -1.338 1.00 3.03 C ATOM 1389 OD1 ASP A 91 6.812 -12.796 -2.335 1.00 3.35 O ATOM 1390 OD2 ASP A 91 8.157 -11.865 -0.866 1.00 35.13 O ATOM 0 H ASP A 91 6.617 -13.621 0.431 1.00 20.33 H new ATOM 0 HA ASP A 91 4.267 -11.874 0.731 1.00 5.13 H new ATOM 0 HB2 ASP A 91 5.239 -10.887 -1.419 1.00 13.20 H new ATOM 0 HB3 ASP A 91 6.187 -10.661 0.038 1.00 13.20 H new ATOM 1395 N ILE A 92 3.843 -14.465 -0.621 1.00 44.23 N ATOM 1396 CA ILE A 92 3.053 -15.322 -1.495 1.00 75.32 C ATOM 1397 C ILE A 92 1.879 -15.940 -0.743 1.00 74.33 C ATOM 1398 O ILE A 92 2.057 -16.567 0.301 1.00 22.22 O ATOM 1399 CB ILE A 92 3.909 -16.449 -2.103 1.00 74.12 C ATOM 1400 CG1 ILE A 92 5.133 -15.864 -2.811 1.00 34.13 C ATOM 1401 CG2 ILE A 92 3.079 -17.282 -3.069 1.00 42.23 C ATOM 1402 CD1 ILE A 92 6.029 -16.912 -3.433 1.00 2.25 C ATOM 0 H ILE A 92 4.169 -14.918 0.233 1.00 44.23 H new ATOM 0 HA ILE A 92 2.675 -14.690 -2.299 1.00 75.32 H new ATOM 0 HB ILE A 92 4.254 -17.098 -1.298 1.00 74.12 H new ATOM 0 HG12 ILE A 92 4.799 -15.176 -3.587 1.00 34.13 H new ATOM 0 HG13 ILE A 92 5.712 -15.281 -2.095 1.00 34.13 H new ATOM 0 HG21 ILE A 92 3.698 -18.074 -3.491 1.00 42.23 H new ATOM 0 HG22 ILE A 92 2.236 -17.724 -2.537 1.00 42.23 H new ATOM 0 HG23 ILE A 92 2.708 -16.645 -3.872 1.00 42.23 H new ATOM 0 HD11 ILE A 92 6.876 -16.426 -3.917 1.00 2.25 H new ATOM 0 HD12 ILE A 92 6.392 -17.587 -2.658 1.00 2.25 H new ATOM 0 HD13 ILE A 92 5.465 -17.480 -4.173 1.00 2.25 H new ATOM 1414 N PHE A 93 0.677 -15.761 -1.283 1.00 3.25 N ATOM 1415 CA PHE A 93 -0.527 -16.302 -0.663 1.00 51.53 C ATOM 1416 C PHE A 93 -1.001 -17.553 -1.397 1.00 11.30 C ATOM 1417 O PHE A 93 -1.506 -17.475 -2.517 1.00 44.42 O ATOM 1418 CB PHE A 93 -1.638 -15.250 -0.655 1.00 53.42 C ATOM 1419 CG PHE A 93 -2.769 -15.579 0.277 1.00 71.33 C ATOM 1420 CD1 PHE A 93 -2.530 -15.814 1.621 1.00 15.32 C ATOM 1421 CD2 PHE A 93 -4.071 -15.655 -0.192 1.00 62.41 C ATOM 1422 CE1 PHE A 93 -3.569 -16.117 2.482 1.00 61.04 C ATOM 1423 CE2 PHE A 93 -5.113 -15.958 0.664 1.00 52.25 C ATOM 1424 CZ PHE A 93 -4.862 -16.190 2.002 1.00 62.13 C ATOM 0 H PHE A 93 0.511 -15.246 -2.148 1.00 3.25 H new ATOM 0 HA PHE A 93 -0.286 -16.574 0.365 1.00 51.53 H new ATOM 0 HB2 PHE A 93 -1.213 -14.287 -0.372 1.00 53.42 H new ATOM 0 HB3 PHE A 93 -2.031 -15.141 -1.666 1.00 53.42 H new ATOM 0 HD1 PHE A 93 -1.520 -15.760 2.001 1.00 15.32 H new ATOM 0 HD2 PHE A 93 -4.274 -15.476 -1.238 1.00 62.41 H new ATOM 0 HE1 PHE A 93 -3.370 -16.296 3.528 1.00 61.04 H new ATOM 0 HE2 PHE A 93 -6.123 -16.013 0.287 1.00 52.25 H new ATOM 0 HZ PHE A 93 -5.675 -16.428 2.672 1.00 62.13 H new ATOM 1434 N ARG A 94 -0.834 -18.705 -0.757 1.00 34.40 N ATOM 1435 CA ARG A 94 -1.243 -19.974 -1.349 1.00 10.25 C ATOM 1436 C ARG A 94 -2.592 -20.423 -0.794 1.00 25.14 C ATOM 1437 O ARG A 94 -2.880 -20.237 0.389 1.00 52.21 O ATOM 1438 CB ARG A 94 -0.187 -21.048 -1.084 1.00 22.35 C ATOM 1439 CG ARG A 94 1.228 -20.607 -1.420 1.00 23.31 C ATOM 1440 CD ARG A 94 2.258 -21.605 -0.914 1.00 30.33 C ATOM 1441 NE ARG A 94 2.274 -21.683 0.545 1.00 43.34 N ATOM 1442 CZ ARG A 94 3.217 -22.313 1.237 1.00 50.14 C ATOM 1443 NH1 ARG A 94 4.215 -22.917 0.606 1.00 12.21 N ATOM 1444 NH2 ARG A 94 3.163 -22.339 2.562 1.00 31.41 N ATOM 0 H ARG A 94 -0.419 -18.787 0.171 1.00 34.40 H new ATOM 0 HA ARG A 94 -1.342 -19.830 -2.425 1.00 10.25 H new ATOM 0 HB2 ARG A 94 -0.229 -21.335 -0.033 1.00 22.35 H new ATOM 0 HB3 ARG A 94 -0.430 -21.936 -1.667 1.00 22.35 H new ATOM 0 HG2 ARG A 94 1.328 -20.495 -2.500 1.00 23.31 H new ATOM 0 HG3 ARG A 94 1.420 -19.629 -0.979 1.00 23.31 H new ATOM 0 HD2 ARG A 94 2.042 -22.590 -1.327 1.00 30.33 H new ATOM 0 HD3 ARG A 94 3.247 -21.319 -1.273 1.00 30.33 H new ATOM 0 HE ARG A 94 1.520 -21.229 1.060 1.00 43.34 H new ATOM 0 HH11 ARG A 94 4.260 -22.898 -0.413 1.00 12.21 H new ATOM 0 HH12 ARG A 94 4.938 -23.400 1.140 1.00 12.21 H new ATOM 0 HH21 ARG A 94 2.397 -21.875 3.050 1.00 31.41 H new ATOM 0 HH22 ARG A 94 3.887 -22.823 3.093 1.00 31.41 H new ATOM 1458 N ILE A 95 -3.413 -21.014 -1.655 1.00 25.42 N ATOM 1459 CA ILE A 95 -4.730 -21.490 -1.250 1.00 65.34 C ATOM 1460 C ILE A 95 -5.182 -22.659 -2.119 1.00 33.12 C ATOM 1461 O ILE A 95 -4.567 -22.961 -3.142 1.00 13.31 O ATOM 1462 CB ILE A 95 -5.782 -20.369 -1.329 1.00 51.24 C ATOM 1463 CG1 ILE A 95 -5.697 -19.654 -2.680 1.00 12.05 C ATOM 1464 CG2 ILE A 95 -5.590 -19.381 -0.188 1.00 74.11 C ATOM 1465 CD1 ILE A 95 -6.716 -18.548 -2.843 1.00 2.44 C ATOM 0 H ILE A 95 -3.190 -21.175 -2.637 1.00 25.42 H new ATOM 0 HA ILE A 95 -4.642 -21.822 -0.215 1.00 65.34 H new ATOM 0 HB ILE A 95 -6.773 -20.814 -1.236 1.00 51.24 H new ATOM 0 HG12 ILE A 95 -4.697 -19.236 -2.799 1.00 12.05 H new ATOM 0 HG13 ILE A 95 -5.834 -20.384 -3.478 1.00 12.05 H new ATOM 0 HG21 ILE A 95 -6.341 -18.594 -0.258 1.00 74.11 H new ATOM 0 HG22 ILE A 95 -5.695 -19.900 0.765 1.00 74.11 H new ATOM 0 HG23 ILE A 95 -4.595 -18.940 -0.252 1.00 74.11 H new ATOM 0 HD11 ILE A 95 -6.598 -18.086 -3.823 1.00 2.44 H new ATOM 0 HD12 ILE A 95 -7.720 -18.963 -2.757 1.00 2.44 H new ATOM 0 HD13 ILE A 95 -6.566 -17.797 -2.067 1.00 2.44 H new ATOM 1477 N TYR A 96 -6.262 -23.313 -1.705 1.00 51.30 N ATOM 1478 CA TYR A 96 -6.798 -24.449 -2.445 1.00 23.33 C ATOM 1479 C TYR A 96 -8.143 -24.103 -3.077 1.00 25.23 C ATOM 1480 O TYR A 96 -9.154 -23.984 -2.384 1.00 43.33 O ATOM 1481 CB TYR A 96 -6.952 -25.659 -1.521 1.00 41.20 C ATOM 1482 CG TYR A 96 -5.636 -26.212 -1.023 1.00 1.34 C ATOM 1483 CD1 TYR A 96 -4.858 -25.498 -0.119 1.00 62.02 C ATOM 1484 CD2 TYR A 96 -5.170 -27.447 -1.455 1.00 40.15 C ATOM 1485 CE1 TYR A 96 -3.654 -25.999 0.339 1.00 53.25 C ATOM 1486 CE2 TYR A 96 -3.969 -27.956 -1.002 1.00 64.10 C ATOM 1487 CZ TYR A 96 -3.214 -27.228 -0.105 1.00 73.34 C ATOM 1488 OH TYR A 96 -2.016 -27.731 0.348 1.00 73.44 O ATOM 0 H TYR A 96 -6.783 -23.076 -0.861 1.00 51.30 H new ATOM 0 HA TYR A 96 -6.096 -24.695 -3.242 1.00 23.33 H new ATOM 0 HB2 TYR A 96 -7.565 -25.376 -0.665 1.00 41.20 H new ATOM 0 HB3 TYR A 96 -7.489 -26.445 -2.052 1.00 41.20 H new ATOM 0 HD1 TYR A 96 -5.200 -24.535 0.231 1.00 62.02 H new ATOM 0 HD2 TYR A 96 -5.757 -28.019 -2.158 1.00 40.15 H new ATOM 0 HE1 TYR A 96 -3.061 -25.431 1.041 1.00 53.25 H new ATOM 0 HE2 TYR A 96 -3.622 -28.919 -1.348 1.00 64.10 H new ATOM 0 HH TYR A 96 -1.853 -28.607 -0.061 1.00 73.44 H new ATOM 1498 N ILE A 97 -8.145 -23.944 -4.396 1.00 33.21 N ATOM 1499 CA ILE A 97 -9.365 -23.614 -5.122 1.00 40.24 C ATOM 1500 C ILE A 97 -10.113 -24.874 -5.543 1.00 31.34 C ATOM 1501 O ILE A 97 -9.523 -25.808 -6.087 1.00 20.05 O ATOM 1502 CB ILE A 97 -9.063 -22.768 -6.374 1.00 33.23 C ATOM 1503 CG1 ILE A 97 -8.128 -21.610 -6.020 1.00 15.31 C ATOM 1504 CG2 ILE A 97 -10.355 -22.246 -6.984 1.00 52.02 C ATOM 1505 CD1 ILE A 97 -8.669 -20.708 -4.933 1.00 0.53 C ATOM 0 H ILE A 97 -7.316 -24.038 -4.983 1.00 33.21 H new ATOM 0 HA ILE A 97 -9.989 -23.034 -4.442 1.00 40.24 H new ATOM 0 HB ILE A 97 -8.566 -23.399 -7.110 1.00 33.23 H new ATOM 0 HG12 ILE A 97 -7.167 -22.014 -5.701 1.00 15.31 H new ATOM 0 HG13 ILE A 97 -7.943 -21.016 -6.915 1.00 15.31 H new ATOM 0 HG21 ILE A 97 -10.126 -21.650 -7.867 1.00 52.02 H new ATOM 0 HG22 ILE A 97 -10.989 -23.086 -7.267 1.00 52.02 H new ATOM 0 HG23 ILE A 97 -10.878 -21.627 -6.255 1.00 52.02 H new ATOM 0 HD11 ILE A 97 -7.954 -19.910 -4.734 1.00 0.53 H new ATOM 0 HD12 ILE A 97 -9.616 -20.275 -5.257 1.00 0.53 H new ATOM 0 HD13 ILE A 97 -8.828 -21.288 -4.024 1.00 0.53 H new ATOM 1517 N LYS A 98 -11.417 -24.894 -5.289 1.00 32.15 N ATOM 1518 CA LYS A 98 -12.249 -26.038 -5.643 1.00 21.13 C ATOM 1519 C LYS A 98 -13.620 -25.583 -6.132 1.00 70.13 C ATOM 1520 O LYS A 98 -14.292 -24.791 -5.473 1.00 54.12 O ATOM 1521 CB LYS A 98 -12.409 -26.970 -4.440 1.00 22.52 C ATOM 1522 CG LYS A 98 -11.482 -28.173 -4.475 1.00 5.12 C ATOM 1523 CD LYS A 98 -11.929 -29.251 -3.501 1.00 42.45 C ATOM 1524 CE LYS A 98 -11.347 -30.608 -3.866 1.00 40.35 C ATOM 1525 NZ LYS A 98 -12.311 -31.433 -4.646 1.00 44.24 N ATOM 0 H LYS A 98 -11.921 -24.130 -4.839 1.00 32.15 H new ATOM 0 HA LYS A 98 -11.755 -26.578 -6.451 1.00 21.13 H new ATOM 0 HB2 LYS A 98 -12.223 -26.405 -3.526 1.00 22.52 H new ATOM 0 HB3 LYS A 98 -13.441 -27.318 -4.395 1.00 22.52 H new ATOM 0 HG2 LYS A 98 -11.454 -28.583 -5.485 1.00 5.12 H new ATOM 0 HG3 LYS A 98 -10.467 -27.859 -4.231 1.00 5.12 H new ATOM 0 HD2 LYS A 98 -11.620 -28.981 -2.491 1.00 42.45 H new ATOM 0 HD3 LYS A 98 -13.017 -29.310 -3.496 1.00 42.45 H new ATOM 0 HE2 LYS A 98 -10.436 -30.468 -4.447 1.00 40.35 H new ATOM 0 HE3 LYS A 98 -11.067 -31.140 -2.957 1.00 40.35 H new ATOM 0 HZ1 LYS A 98 -11.877 -32.350 -4.875 1.00 44.24 H new ATOM 0 HZ2 LYS A 98 -13.171 -31.588 -4.082 1.00 44.24 H new ATOM 0 HZ3 LYS A 98 -12.559 -30.938 -5.526 1.00 44.24 H new ATOM 1539 N GLU A 99 -14.028 -26.091 -7.291 1.00 51.33 N ATOM 1540 CA GLU A 99 -15.320 -25.736 -7.867 1.00 42.23 C ATOM 1541 C GLU A 99 -16.449 -26.506 -7.188 1.00 4.32 C ATOM 1542 O GLU A 99 -16.348 -27.713 -6.968 1.00 0.11 O ATOM 1543 CB GLU A 99 -15.328 -26.019 -9.371 1.00 43.10 C ATOM 1544 CG GLU A 99 -14.912 -27.437 -9.726 1.00 1.44 C ATOM 1545 CD GLU A 99 -15.963 -28.167 -10.538 1.00 75.01 C ATOM 1546 OE1 GLU A 99 -16.026 -27.945 -11.765 1.00 62.33 O ATOM 1547 OE2 GLU A 99 -16.724 -28.961 -9.946 1.00 12.03 O ATOM 0 H GLU A 99 -13.483 -26.749 -7.849 1.00 51.33 H new ATOM 0 HA GLU A 99 -15.481 -24.670 -7.704 1.00 42.23 H new ATOM 0 HB2 GLU A 99 -16.329 -25.834 -9.762 1.00 43.10 H new ATOM 0 HB3 GLU A 99 -14.658 -25.318 -9.868 1.00 43.10 H new ATOM 0 HG2 GLU A 99 -13.979 -27.408 -10.289 1.00 1.44 H new ATOM 0 HG3 GLU A 99 -14.714 -27.994 -8.810 1.00 1.44 H new ATOM 1554 N LYS A 100 -17.523 -25.798 -6.857 1.00 35.33 N ATOM 1555 CA LYS A 100 -18.673 -26.413 -6.203 1.00 2.22 C ATOM 1556 C LYS A 100 -19.387 -27.374 -7.148 1.00 25.34 C ATOM 1557 O LYS A 100 -19.332 -28.591 -6.968 1.00 61.22 O ATOM 1558 CB LYS A 100 -19.648 -25.336 -5.722 1.00 1.23 C ATOM 1559 CG LYS A 100 -19.048 -24.385 -4.701 1.00 11.52 C ATOM 1560 CD LYS A 100 -20.118 -23.775 -3.811 1.00 11.14 C ATOM 1561 CE LYS A 100 -21.016 -22.826 -4.589 1.00 11.51 C ATOM 1562 NZ LYS A 100 -22.381 -22.745 -3.999 1.00 52.04 N ATOM 0 H LYS A 100 -17.622 -24.798 -7.031 1.00 35.33 H new ATOM 0 HA LYS A 100 -18.312 -26.978 -5.344 1.00 2.22 H new ATOM 0 HB2 LYS A 100 -19.995 -24.762 -6.581 1.00 1.23 H new ATOM 0 HB3 LYS A 100 -20.523 -25.818 -5.287 1.00 1.23 H new ATOM 0 HG2 LYS A 100 -18.323 -24.919 -4.086 1.00 11.52 H new ATOM 0 HG3 LYS A 100 -18.506 -23.592 -5.216 1.00 11.52 H new ATOM 0 HD2 LYS A 100 -20.721 -24.568 -3.370 1.00 11.14 H new ATOM 0 HD3 LYS A 100 -19.646 -23.238 -2.988 1.00 11.14 H new ATOM 0 HE2 LYS A 100 -20.568 -21.833 -4.605 1.00 11.51 H new ATOM 0 HE3 LYS A 100 -21.087 -23.160 -5.624 1.00 11.51 H new ATOM 0 HZ1 LYS A 100 -22.962 -22.088 -4.558 1.00 52.04 H new ATOM 0 HZ2 LYS A 100 -22.819 -23.688 -4.007 1.00 52.04 H new ATOM 0 HZ3 LYS A 100 -22.316 -22.402 -3.019 1.00 52.04 H new