USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 558 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -109:sc= 1.22 (180deg=-0.215) USER MOD Single : A 64 ASN : amide:sc= -0.063 K(o=-0.063,f=-4.6!) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 1.12 (180deg=0.243) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -68:sc= 0.644 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 79:sc= 0.0186 USER MOD Single : A 95 LYS NZ :NH3+ 143:sc= 0.421 (180deg=-0.658) USER MOD Single : A 99 SER OG : rot -73:sc= -1.02 USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= 0.885 (180deg=0.694) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -112:sc= 1.25 (180deg=-0.885) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 0.150 -31.641 -0.859 1.00 0.00 N ATOM 2 CA ALA A 47 -0.589 -30.800 -1.785 1.00 0.00 C ATOM 3 C ALA A 47 0.320 -29.674 -2.282 1.00 0.00 C ATOM 4 O ALA A 47 1.392 -29.444 -1.723 1.00 0.00 O ATOM 5 CB ALA A 47 -1.850 -30.269 -1.098 1.00 0.00 C ATOM 0 HA ALA A 47 -0.908 -31.375 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.404 -29.638 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.476 -31.106 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.568 -29.684 -0.222 1.00 0.00 H new ATOM 11 N ALA A 48 -0.142 -29.001 -3.326 1.00 0.00 N ATOM 12 CA ALA A 48 0.616 -27.903 -3.902 1.00 0.00 C ATOM 13 C ALA A 48 -0.351 -26.896 -4.527 1.00 0.00 C ATOM 14 O ALA A 48 -0.618 -26.948 -5.727 1.00 0.00 O ATOM 15 CB ALA A 48 1.620 -28.454 -4.917 1.00 0.00 C ATOM 0 H ALA A 48 -1.031 -29.195 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 48 1.184 -27.381 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.189 -27.631 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.301 -29.143 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.086 -28.981 -5.708 1.00 0.00 H new ATOM 21 N GLU A 49 -0.849 -26.001 -3.685 1.00 0.00 N ATOM 22 CA GLU A 49 -1.781 -24.984 -4.138 1.00 0.00 C ATOM 23 C GLU A 49 -1.024 -23.799 -4.741 1.00 0.00 C ATOM 24 O GLU A 49 0.164 -23.618 -4.476 1.00 0.00 O ATOM 25 CB GLU A 49 -2.693 -24.529 -2.998 1.00 0.00 C ATOM 26 CG GLU A 49 -3.669 -25.639 -2.598 1.00 0.00 C ATOM 27 CD GLU A 49 -4.138 -25.464 -1.154 1.00 0.00 C ATOM 28 OE1 GLU A 49 -4.948 -24.538 -0.927 1.00 0.00 O ATOM 29 OE2 GLU A 49 -3.676 -26.260 -0.307 1.00 0.00 O ATOM 0 H GLU A 49 -0.624 -25.960 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.412 -25.418 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.089 -24.243 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.250 -23.644 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.530 -25.630 -3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.187 -26.610 -2.712 1.00 0.00 H new ATOM 36 N GLU A 50 -1.742 -23.024 -5.541 1.00 0.00 N ATOM 37 CA GLU A 50 -1.152 -21.862 -6.184 1.00 0.00 C ATOM 38 C GLU A 50 -1.209 -20.652 -5.249 1.00 0.00 C ATOM 39 O GLU A 50 -2.167 -20.492 -4.493 1.00 0.00 O ATOM 40 CB GLU A 50 -1.845 -21.561 -7.514 1.00 0.00 C ATOM 41 CG GLU A 50 -1.118 -22.240 -8.677 1.00 0.00 C ATOM 42 CD GLU A 50 -0.030 -21.330 -9.251 1.00 0.00 C ATOM 43 OE1 GLU A 50 -0.409 -20.359 -9.941 1.00 0.00 O ATOM 44 OE2 GLU A 50 1.154 -21.626 -8.986 1.00 0.00 O ATOM 0 H GLU A 50 -2.727 -23.178 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.106 -22.081 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.878 -21.905 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.874 -20.484 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.673 -23.175 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.834 -22.495 -9.459 1.00 0.00 H new ATOM 51 N LYS A 51 -0.172 -19.831 -5.332 1.00 0.00 N ATOM 52 CA LYS A 51 -0.096 -18.637 -4.507 1.00 0.00 C ATOM 53 C LYS A 51 0.414 -17.470 -5.354 1.00 0.00 C ATOM 54 O LYS A 51 1.583 -17.097 -5.264 1.00 0.00 O ATOM 55 CB LYS A 51 0.744 -18.902 -3.256 1.00 0.00 C ATOM 56 CG LYS A 51 0.589 -17.768 -2.241 1.00 0.00 C ATOM 57 CD LYS A 51 0.998 -18.227 -0.840 1.00 0.00 C ATOM 58 CE LYS A 51 1.142 -17.035 0.107 1.00 0.00 C ATOM 59 NZ LYS A 51 -0.188 -16.487 0.459 1.00 0.00 N ATOM 0 H LYS A 51 0.622 -19.969 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.086 -18.361 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.439 -19.845 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.793 -19.006 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.202 -16.919 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.446 -17.426 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.253 -18.919 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.941 -18.770 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.666 -17.343 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.748 -16.261 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.071 -15.678 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.674 -16.174 -0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.754 -17.223 0.927 1.00 0.00 H new ATOM 73 N THR A 52 -0.487 -16.926 -6.159 1.00 0.00 N ATOM 74 CA THR A 52 -0.142 -15.808 -7.020 1.00 0.00 C ATOM 75 C THR A 52 -1.083 -14.628 -6.763 1.00 0.00 C ATOM 76 O THR A 52 -1.346 -13.832 -7.663 1.00 0.00 O ATOM 77 CB THR A 52 -0.169 -16.300 -8.467 1.00 0.00 C ATOM 78 OG1 THR A 52 -1.421 -16.969 -8.585 1.00 0.00 O ATOM 79 CG2 THR A 52 0.866 -17.397 -8.731 1.00 0.00 C ATOM 0 H THR A 52 -1.455 -17.239 -6.233 1.00 0.00 H new ATOM 0 HA THR A 52 0.861 -15.438 -6.806 1.00 0.00 H new ATOM 0 HB THR A 52 0.011 -15.461 -9.139 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.521 -17.318 -9.495 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.805 -17.711 -9.773 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.865 -17.012 -8.526 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.666 -18.250 -8.082 1.00 0.00 H new ATOM 87 N GLU A 53 -1.561 -14.551 -5.530 1.00 0.00 N ATOM 88 CA GLU A 53 -2.471 -13.486 -5.146 1.00 0.00 C ATOM 89 C GLU A 53 -2.109 -12.954 -3.757 1.00 0.00 C ATOM 90 O GLU A 53 -2.500 -13.534 -2.745 1.00 0.00 O ATOM 91 CB GLU A 53 -3.925 -13.963 -5.188 1.00 0.00 C ATOM 92 CG GLU A 53 -4.497 -13.849 -6.602 1.00 0.00 C ATOM 93 CD GLU A 53 -5.886 -14.487 -6.684 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.777 -14.004 -5.952 1.00 0.00 O ATOM 95 OE2 GLU A 53 -6.024 -15.444 -7.476 1.00 0.00 O ATOM 0 H GLU A 53 -1.335 -15.209 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.370 -12.672 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.982 -14.998 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.526 -13.370 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.557 -12.800 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.827 -14.336 -7.310 1.00 0.00 H new ATOM 102 N PHE A 54 -1.366 -11.857 -3.754 1.00 0.00 N ATOM 103 CA PHE A 54 -0.947 -11.242 -2.505 1.00 0.00 C ATOM 104 C PHE A 54 -1.649 -9.899 -2.293 1.00 0.00 C ATOM 105 O PHE A 54 -1.951 -9.193 -3.253 1.00 0.00 O ATOM 106 CB PHE A 54 0.562 -11.003 -2.610 1.00 0.00 C ATOM 107 CG PHE A 54 1.382 -12.282 -2.786 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.483 -12.864 -4.011 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.013 -12.838 -1.718 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.245 -14.050 -4.175 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.775 -14.025 -1.880 1.00 0.00 C ATOM 112 CZ PHE A 54 2.875 -14.606 -3.106 1.00 0.00 C ATOM 0 H PHE A 54 -1.044 -11.378 -4.595 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.200 -11.891 -1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.757 -10.339 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.901 -10.486 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.983 -12.423 -4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.935 -12.376 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.324 -14.511 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.275 -14.466 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.455 -15.509 -3.230 1.00 0.00 H new ATOM 122 N ASP A 55 -1.889 -9.587 -1.028 1.00 0.00 N ATOM 123 CA ASP A 55 -2.561 -8.348 -0.677 1.00 0.00 C ATOM 124 C ASP A 55 -1.557 -7.396 -0.023 1.00 0.00 C ATOM 125 O ASP A 55 -0.696 -7.828 0.740 1.00 0.00 O ATOM 126 CB ASP A 55 -3.695 -8.598 0.319 1.00 0.00 C ATOM 127 CG ASP A 55 -4.591 -9.795 -0.009 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.254 -10.903 0.463 1.00 0.00 O ATOM 129 OD2 ASP A 55 -5.593 -9.574 -0.722 1.00 0.00 O ATOM 0 H ASP A 55 -1.630 -10.171 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.973 -7.918 -1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.263 -8.747 1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.315 -7.703 0.373 1.00 0.00 H new ATOM 134 N VAL A 56 -1.705 -6.120 -0.344 1.00 0.00 N ATOM 135 CA VAL A 56 -0.809 -5.106 0.186 1.00 0.00 C ATOM 136 C VAL A 56 -1.600 -4.147 1.078 1.00 0.00 C ATOM 137 O VAL A 56 -2.463 -3.415 0.595 1.00 0.00 O ATOM 138 CB VAL A 56 -0.085 -4.397 -0.958 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.782 -3.251 -0.434 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.751 -5.385 -1.775 1.00 0.00 C ATOM 0 H VAL A 56 -2.432 -5.764 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.038 -5.565 0.805 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.841 -3.971 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.285 -2.764 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.153 -2.526 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.526 -3.645 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.255 -4.854 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.494 -5.854 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.100 -6.151 -2.196 1.00 0.00 H new ATOM 150 N ILE A 57 -1.281 -4.184 2.363 1.00 0.00 N ATOM 151 CA ILE A 57 -1.944 -3.318 3.324 1.00 0.00 C ATOM 152 C ILE A 57 -0.981 -2.210 3.753 1.00 0.00 C ATOM 153 O ILE A 57 0.223 -2.436 3.862 1.00 0.00 O ATOM 154 CB ILE A 57 -2.496 -4.139 4.491 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.643 -5.043 4.029 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.913 -3.233 5.650 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.896 -6.164 5.041 1.00 0.00 C ATOM 0 H ILE A 57 -0.572 -4.800 2.762 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.807 -2.832 2.869 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.701 -4.787 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.549 -4.451 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.404 -5.473 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.302 -3.842 6.466 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.049 -2.668 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.686 -2.543 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.715 -6.792 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.995 -6.768 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.159 -5.731 6.006 1.00 0.00 H new ATOM 169 N LEU A 58 -1.548 -1.036 3.988 1.00 0.00 N ATOM 170 CA LEU A 58 -0.771 0.087 4.484 1.00 0.00 C ATOM 171 C LEU A 58 -0.974 0.216 5.994 1.00 0.00 C ATOM 172 O LEU A 58 -2.071 0.531 6.451 1.00 0.00 O ATOM 173 CB LEU A 58 -1.111 1.359 3.705 1.00 0.00 C ATOM 174 CG LEU A 58 -0.641 2.674 4.332 1.00 0.00 C ATOM 175 CD1 LEU A 58 0.881 2.699 4.481 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.158 3.876 3.538 1.00 0.00 C ATOM 0 H LEU A 58 -2.538 -0.838 3.844 1.00 0.00 H new ATOM 0 HA LEU A 58 0.293 -0.084 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.676 1.278 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.193 1.406 3.578 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.064 2.743 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.187 3.644 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.198 1.875 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.344 2.595 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.810 4.797 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.785 3.824 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.248 3.864 3.528 1.00 0.00 H new ATOM 188 N LYS A 59 0.102 -0.033 6.726 1.00 0.00 N ATOM 189 CA LYS A 59 0.034 -0.037 8.178 1.00 0.00 C ATOM 190 C LYS A 59 0.300 1.376 8.701 1.00 0.00 C ATOM 191 O LYS A 59 -0.564 1.980 9.334 1.00 0.00 O ATOM 192 CB LYS A 59 0.977 -1.094 8.756 1.00 0.00 C ATOM 193 CG LYS A 59 0.249 -2.425 8.963 1.00 0.00 C ATOM 194 CD LYS A 59 -0.424 -2.472 10.336 1.00 0.00 C ATOM 195 CE LYS A 59 -0.998 -3.862 10.617 1.00 0.00 C ATOM 196 NZ LYS A 59 0.083 -4.805 10.980 1.00 0.00 N ATOM 0 H LYS A 59 1.025 -0.233 6.341 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.965 -0.318 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.823 -1.239 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.381 -0.745 9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.499 -2.560 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.957 -3.249 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.299 -2.210 11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.221 -1.730 10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.726 -3.805 11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.528 -4.228 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.226 -5.484 10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.964 -4.277 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.180 -5.318 11.845 1.00 0.00 H new ATOM 210 N ALA A 60 1.500 1.861 8.418 1.00 0.00 N ATOM 211 CA ALA A 60 1.912 3.168 8.902 1.00 0.00 C ATOM 212 C ALA A 60 2.658 3.907 7.789 1.00 0.00 C ATOM 213 O ALA A 60 3.592 3.367 7.198 1.00 0.00 O ATOM 214 CB ALA A 60 2.764 3.000 10.162 1.00 0.00 C ATOM 0 H ALA A 60 2.200 1.373 7.860 1.00 0.00 H new ATOM 0 HA ALA A 60 1.044 3.769 9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.073 3.980 10.525 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.180 2.495 10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.647 2.405 9.928 1.00 0.00 H new ATOM 220 N ALA A 61 2.217 5.131 7.538 1.00 0.00 N ATOM 221 CA ALA A 61 2.854 5.963 6.531 1.00 0.00 C ATOM 222 C ALA A 61 4.278 6.297 6.978 1.00 0.00 C ATOM 223 O ALA A 61 5.143 6.571 6.150 1.00 0.00 O ATOM 224 CB ALA A 61 2.007 7.217 6.295 1.00 0.00 C ATOM 0 H ALA A 61 1.427 5.566 8.014 1.00 0.00 H new ATOM 0 HA ALA A 61 2.923 5.432 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.484 7.842 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.014 6.926 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.919 7.777 7.226 1.00 0.00 H new ATOM 230 N GLY A 62 4.476 6.260 8.288 1.00 0.00 N ATOM 231 CA GLY A 62 5.776 6.574 8.856 1.00 0.00 C ATOM 232 C GLY A 62 6.045 8.080 8.815 1.00 0.00 C ATOM 233 O GLY A 62 5.111 8.881 8.828 1.00 0.00 O ATOM 0 H GLY A 62 3.759 6.018 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.821 6.221 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.554 6.047 8.304 1.00 0.00 H new ATOM 237 N ALA A 63 7.324 8.420 8.768 1.00 0.00 N ATOM 238 CA ALA A 63 7.728 9.816 8.776 1.00 0.00 C ATOM 239 C ALA A 63 7.834 10.320 7.336 1.00 0.00 C ATOM 240 O ALA A 63 8.726 11.104 7.012 1.00 0.00 O ATOM 241 CB ALA A 63 9.044 9.962 9.542 1.00 0.00 C ATOM 0 H ALA A 63 8.095 7.753 8.724 1.00 0.00 H new ATOM 0 HA ALA A 63 6.984 10.428 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.347 11.009 9.548 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.908 9.617 10.567 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.815 9.364 9.057 1.00 0.00 H new ATOM 247 N ASN A 64 6.911 9.852 6.509 1.00 0.00 N ATOM 248 CA ASN A 64 6.893 10.242 5.109 1.00 0.00 C ATOM 249 C ASN A 64 5.469 10.108 4.566 1.00 0.00 C ATOM 250 O ASN A 64 5.237 9.393 3.592 1.00 0.00 O ATOM 251 CB ASN A 64 7.804 9.341 4.275 1.00 0.00 C ATOM 252 CG ASN A 64 8.361 10.095 3.065 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.729 10.974 2.504 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.579 9.703 2.698 1.00 0.00 N ATOM 0 H ASN A 64 6.170 9.206 6.781 1.00 0.00 H new ATOM 0 HA ASN A 64 7.244 11.272 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.626 8.978 4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.247 8.466 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.039 10.146 1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.052 8.960 3.212 1.00 0.00 H new ATOM 261 N LYS A 65 4.552 10.806 5.219 1.00 0.00 N ATOM 262 CA LYS A 65 3.151 10.745 4.836 1.00 0.00 C ATOM 263 C LYS A 65 2.990 11.295 3.418 1.00 0.00 C ATOM 264 O LYS A 65 2.062 10.917 2.704 1.00 0.00 O ATOM 265 CB LYS A 65 2.281 11.457 5.875 1.00 0.00 C ATOM 266 CG LYS A 65 0.974 10.697 6.108 1.00 0.00 C ATOM 267 CD LYS A 65 0.601 10.690 7.592 1.00 0.00 C ATOM 268 CE LYS A 65 -0.907 10.512 7.777 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.196 9.849 9.069 1.00 0.00 N ATOM 0 H LYS A 65 4.751 11.417 6.011 1.00 0.00 H new ATOM 0 HA LYS A 65 2.805 9.712 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.828 11.544 6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.062 12.470 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.173 11.158 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.076 9.672 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.131 9.884 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.920 11.624 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.401 11.483 7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.312 9.918 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.104 10.193 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.248 8.820 8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.439 10.067 9.748 1.00 0.00 H new ATOM 283 N VAL A 66 3.908 12.178 3.052 1.00 0.00 N ATOM 284 CA VAL A 66 3.860 12.810 1.745 1.00 0.00 C ATOM 285 C VAL A 66 4.079 11.750 0.663 1.00 0.00 C ATOM 286 O VAL A 66 3.199 11.507 -0.162 1.00 0.00 O ATOM 287 CB VAL A 66 4.874 13.952 1.677 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.995 14.495 0.251 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.511 15.066 2.660 1.00 0.00 C ATOM 0 H VAL A 66 4.690 12.470 3.638 1.00 0.00 H new ATOM 0 HA VAL A 66 2.880 13.254 1.572 1.00 0.00 H new ATOM 0 HB VAL A 66 5.847 13.554 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.723 15.306 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.323 13.697 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.026 14.869 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.248 15.866 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.524 15.460 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.501 14.667 3.674 1.00 0.00 H new ATOM 299 N ALA A 67 5.257 11.147 0.702 1.00 0.00 N ATOM 300 CA ALA A 67 5.624 10.157 -0.297 1.00 0.00 C ATOM 301 C ALA A 67 4.557 9.062 -0.341 1.00 0.00 C ATOM 302 O ALA A 67 4.196 8.583 -1.415 1.00 0.00 O ATOM 303 CB ALA A 67 7.016 9.604 0.019 1.00 0.00 C ATOM 0 H ALA A 67 5.970 11.324 1.409 1.00 0.00 H new ATOM 0 HA ALA A 67 5.671 10.610 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.291 8.862 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.742 10.417 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.008 9.139 1.005 1.00 0.00 H new ATOM 309 N VAL A 68 4.080 8.697 0.841 1.00 0.00 N ATOM 310 CA VAL A 68 3.078 7.653 0.953 1.00 0.00 C ATOM 311 C VAL A 68 1.836 8.056 0.155 1.00 0.00 C ATOM 312 O VAL A 68 1.418 7.341 -0.755 1.00 0.00 O ATOM 313 CB VAL A 68 2.776 7.373 2.427 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.525 6.504 2.575 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.978 6.726 3.119 1.00 0.00 C ATOM 0 H VAL A 68 4.370 9.107 1.729 1.00 0.00 H new ATOM 0 HA VAL A 68 3.449 6.721 0.528 1.00 0.00 H new ATOM 0 HB VAL A 68 2.581 8.327 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.333 6.320 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.671 7.018 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.679 5.554 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.737 6.537 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.218 5.784 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.836 7.395 3.059 1.00 0.00 H new ATOM 325 N ILE A 69 1.280 9.200 0.525 1.00 0.00 N ATOM 326 CA ILE A 69 0.067 9.683 -0.112 1.00 0.00 C ATOM 327 C ILE A 69 0.261 9.690 -1.630 1.00 0.00 C ATOM 328 O ILE A 69 -0.673 9.411 -2.381 1.00 0.00 O ATOM 329 CB ILE A 69 -0.335 11.043 0.461 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.927 10.893 1.864 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.284 11.779 -0.485 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.863 12.214 2.631 1.00 0.00 C ATOM 0 H ILE A 69 1.647 9.807 1.258 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.766 9.014 0.101 1.00 0.00 H new ATOM 0 HB ILE A 69 0.564 11.653 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.962 10.560 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.383 10.124 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.554 12.743 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.791 11.937 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.185 11.183 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.290 12.079 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.176 12.532 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.429 12.975 2.093 1.00 0.00 H new ATOM 344 N LYS A 70 1.480 10.011 -2.037 1.00 0.00 N ATOM 345 CA LYS A 70 1.810 10.054 -3.451 1.00 0.00 C ATOM 346 C LYS A 70 1.719 8.642 -4.035 1.00 0.00 C ATOM 347 O LYS A 70 1.020 8.418 -5.022 1.00 0.00 O ATOM 348 CB LYS A 70 3.169 10.723 -3.665 1.00 0.00 C ATOM 349 CG LYS A 70 3.093 12.225 -3.384 1.00 0.00 C ATOM 350 CD LYS A 70 3.716 13.030 -4.525 1.00 0.00 C ATOM 351 CE LYS A 70 3.510 14.530 -4.315 1.00 0.00 C ATOM 352 NZ LYS A 70 4.777 15.265 -4.538 1.00 0.00 N ATOM 0 H LYS A 70 2.252 10.244 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 70 1.091 10.669 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.911 10.264 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.502 10.558 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.052 12.521 -3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.610 12.450 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.782 12.811 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.271 12.728 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.745 14.897 -4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.149 14.715 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.619 16.282 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.497 14.926 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.106 15.103 -5.511 1.00 0.00 H new ATOM 366 N ALA A 71 2.438 7.727 -3.401 1.00 0.00 N ATOM 367 CA ALA A 71 2.459 6.347 -3.853 1.00 0.00 C ATOM 368 C ALA A 71 1.025 5.821 -3.937 1.00 0.00 C ATOM 369 O ALA A 71 0.676 5.108 -4.877 1.00 0.00 O ATOM 370 CB ALA A 71 3.332 5.514 -2.911 1.00 0.00 C ATOM 0 H ALA A 71 3.010 7.915 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 71 2.895 6.276 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.348 4.478 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.347 5.911 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.924 5.559 -1.901 1.00 0.00 H new ATOM 376 N VAL A 72 0.233 6.191 -2.942 1.00 0.00 N ATOM 377 CA VAL A 72 -1.150 5.750 -2.882 1.00 0.00 C ATOM 378 C VAL A 72 -1.900 6.266 -4.110 1.00 0.00 C ATOM 379 O VAL A 72 -2.297 5.485 -4.973 1.00 0.00 O ATOM 380 CB VAL A 72 -1.785 6.196 -1.563 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.285 5.899 -1.549 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.086 5.542 -0.369 1.00 0.00 C ATOM 0 H VAL A 72 0.523 6.792 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.204 4.662 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.656 7.275 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.712 6.226 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.769 6.432 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.445 4.827 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.557 5.876 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.169 4.458 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.034 5.826 -0.363 1.00 0.00 H new ATOM 392 N ARG A 73 -2.070 7.579 -4.152 1.00 0.00 N ATOM 393 CA ARG A 73 -2.780 8.207 -5.254 1.00 0.00 C ATOM 394 C ARG A 73 -2.239 7.699 -6.592 1.00 0.00 C ATOM 395 O ARG A 73 -2.992 7.545 -7.551 1.00 0.00 O ATOM 396 CB ARG A 73 -2.642 9.730 -5.201 1.00 0.00 C ATOM 397 CG ARG A 73 -4.013 10.406 -5.248 1.00 0.00 C ATOM 398 CD ARG A 73 -3.875 11.930 -5.187 1.00 0.00 C ATOM 399 NE ARG A 73 -3.372 12.444 -6.480 1.00 0.00 N ATOM 400 CZ ARG A 73 -2.172 13.020 -6.645 1.00 0.00 C ATOM 401 NH1 ARG A 73 -1.181 12.756 -5.785 1.00 0.00 N ATOM 402 NH2 ARG A 73 -1.966 13.858 -7.669 1.00 0.00 N ATOM 0 H ARG A 73 -1.728 8.226 -3.441 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.834 7.945 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.121 10.020 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.034 10.073 -6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.532 10.120 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.623 10.059 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.840 12.382 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.192 12.210 -4.385 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.976 12.355 -7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.339 12.117 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.268 13.193 -5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.722 14.059 -8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.053 14.296 -7.794 1.00 0.00 H new ATOM 416 N GLY A 74 -0.937 7.454 -6.613 1.00 0.00 N ATOM 417 CA GLY A 74 -0.276 7.024 -7.834 1.00 0.00 C ATOM 418 C GLY A 74 -0.636 5.575 -8.169 1.00 0.00 C ATOM 419 O GLY A 74 -0.657 5.194 -9.338 1.00 0.00 O ATOM 0 H GLY A 74 -0.322 7.545 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.567 7.675 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.804 7.117 -7.720 1.00 0.00 H new ATOM 423 N ALA A 75 -0.912 4.809 -7.125 1.00 0.00 N ATOM 424 CA ALA A 75 -1.206 3.396 -7.289 1.00 0.00 C ATOM 425 C ALA A 75 -2.694 3.223 -7.602 1.00 0.00 C ATOM 426 O ALA A 75 -3.088 2.251 -8.243 1.00 0.00 O ATOM 427 CB ALA A 75 -0.783 2.635 -6.032 1.00 0.00 C ATOM 0 H ALA A 75 -0.938 5.141 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.642 2.982 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.004 1.575 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.287 2.766 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.330 3.021 -5.172 1.00 0.00 H new ATOM 433 N THR A 76 -3.480 4.182 -7.133 1.00 0.00 N ATOM 434 CA THR A 76 -4.919 4.128 -7.320 1.00 0.00 C ATOM 435 C THR A 76 -5.382 5.268 -8.230 1.00 0.00 C ATOM 436 O THR A 76 -5.728 5.040 -9.388 1.00 0.00 O ATOM 437 CB THR A 76 -5.577 4.149 -5.938 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.026 5.302 -5.310 1.00 0.00 O ATOM 439 CG2 THR A 76 -5.117 2.987 -5.054 1.00 0.00 C ATOM 0 H THR A 76 -3.146 5.001 -6.624 1.00 0.00 H new ATOM 0 HA THR A 76 -5.218 3.209 -7.825 1.00 0.00 H new ATOM 0 HB THR A 76 -6.661 4.113 -6.050 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.073 5.155 -5.134 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.613 3.048 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.372 2.042 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.038 3.042 -4.913 1.00 0.00 H new ATOM 447 N GLY A 77 -5.373 6.469 -7.672 1.00 0.00 N ATOM 448 CA GLY A 77 -5.894 7.627 -8.377 1.00 0.00 C ATOM 449 C GLY A 77 -7.081 8.238 -7.630 1.00 0.00 C ATOM 450 O GLY A 77 -7.852 9.003 -8.204 1.00 0.00 O ATOM 0 H GLY A 77 -5.013 6.665 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.107 8.373 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.203 7.337 -9.381 1.00 0.00 H new ATOM 454 N LEU A 78 -7.187 7.876 -6.359 1.00 0.00 N ATOM 455 CA LEU A 78 -8.275 8.367 -5.531 1.00 0.00 C ATOM 456 C LEU A 78 -8.078 9.861 -5.268 1.00 0.00 C ATOM 457 O LEU A 78 -6.950 10.352 -5.275 1.00 0.00 O ATOM 458 CB LEU A 78 -8.398 7.528 -4.257 1.00 0.00 C ATOM 459 CG LEU A 78 -9.000 6.132 -4.428 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.814 5.296 -3.161 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.468 6.215 -4.850 1.00 0.00 C ATOM 0 H LEU A 78 -6.538 7.249 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.227 8.259 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.406 7.423 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.007 8.079 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.463 5.625 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.251 4.308 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.750 5.194 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.308 5.789 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.871 5.209 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.036 6.749 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.544 6.746 -5.799 1.00 0.00 H new ATOM 473 N GLY A 79 -9.192 10.541 -5.042 1.00 0.00 N ATOM 474 CA GLY A 79 -9.153 11.964 -4.748 1.00 0.00 C ATOM 475 C GLY A 79 -8.217 12.256 -3.574 1.00 0.00 C ATOM 476 O GLY A 79 -8.132 11.468 -2.631 1.00 0.00 O ATOM 0 H GLY A 79 -10.127 10.134 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.819 12.512 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.157 12.318 -4.514 1.00 0.00 H new ATOM 480 N LEU A 80 -7.537 13.389 -3.668 1.00 0.00 N ATOM 481 CA LEU A 80 -6.616 13.799 -2.621 1.00 0.00 C ATOM 482 C LEU A 80 -7.232 13.487 -1.254 1.00 0.00 C ATOM 483 O LEU A 80 -6.571 12.917 -0.388 1.00 0.00 O ATOM 484 CB LEU A 80 -6.222 15.266 -2.797 1.00 0.00 C ATOM 485 CG LEU A 80 -4.865 15.671 -2.218 1.00 0.00 C ATOM 486 CD1 LEU A 80 -3.735 15.365 -3.204 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.869 17.140 -1.788 1.00 0.00 C ATOM 0 H LEU A 80 -7.605 14.036 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.687 13.234 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.223 15.496 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.991 15.886 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.683 15.074 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.781 15.662 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.719 14.296 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.899 15.918 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.893 17.402 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.083 17.771 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.634 17.294 -1.027 1.00 0.00 H new ATOM 499 N LYS A 81 -8.490 13.875 -1.106 1.00 0.00 N ATOM 500 CA LYS A 81 -9.199 13.652 0.142 1.00 0.00 C ATOM 501 C LYS A 81 -9.243 12.153 0.439 1.00 0.00 C ATOM 502 O LYS A 81 -8.634 11.688 1.403 1.00 0.00 O ATOM 503 CB LYS A 81 -10.580 14.311 0.100 1.00 0.00 C ATOM 504 CG LYS A 81 -11.328 14.100 1.416 1.00 0.00 C ATOM 505 CD LYS A 81 -12.692 14.795 1.388 1.00 0.00 C ATOM 506 CE LYS A 81 -13.673 14.114 2.344 1.00 0.00 C ATOM 507 NZ LYS A 81 -14.948 14.865 2.400 1.00 0.00 N ATOM 0 H LYS A 81 -9.036 14.342 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.670 14.126 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.472 15.378 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.161 13.895 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.463 13.033 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.734 14.490 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.576 15.843 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.093 14.776 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.860 13.092 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.236 14.053 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.603 14.389 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.767 15.833 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.372 14.901 1.451 1.00 0.00 H new ATOM 521 N GLU A 82 -9.966 11.435 -0.407 1.00 0.00 N ATOM 522 CA GLU A 82 -10.126 10.001 -0.228 1.00 0.00 C ATOM 523 C GLU A 82 -8.802 9.372 0.216 1.00 0.00 C ATOM 524 O GLU A 82 -8.771 8.586 1.162 1.00 0.00 O ATOM 525 CB GLU A 82 -10.644 9.343 -1.507 1.00 0.00 C ATOM 526 CG GLU A 82 -12.146 9.576 -1.674 1.00 0.00 C ATOM 527 CD GLU A 82 -12.948 8.686 -0.722 1.00 0.00 C ATOM 528 OE1 GLU A 82 -13.118 7.496 -1.064 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.373 9.216 0.328 1.00 0.00 O ATOM 0 H GLU A 82 -10.448 11.819 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.867 9.832 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.112 9.746 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.439 8.273 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.379 10.623 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.438 9.369 -2.704 1.00 0.00 H new ATOM 536 N ALA A 83 -7.743 9.741 -0.489 1.00 0.00 N ATOM 537 CA ALA A 83 -6.429 9.188 -0.210 1.00 0.00 C ATOM 538 C ALA A 83 -6.021 9.549 1.220 1.00 0.00 C ATOM 539 O ALA A 83 -5.563 8.692 1.974 1.00 0.00 O ATOM 540 CB ALA A 83 -5.429 9.698 -1.249 1.00 0.00 C ATOM 0 H ALA A 83 -7.768 10.416 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.447 8.101 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.443 9.283 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.749 9.389 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.381 10.786 -1.205 1.00 0.00 H new ATOM 546 N LYS A 84 -6.199 10.821 1.549 1.00 0.00 N ATOM 547 CA LYS A 84 -5.846 11.308 2.871 1.00 0.00 C ATOM 548 C LYS A 84 -6.577 10.477 3.928 1.00 0.00 C ATOM 549 O LYS A 84 -5.948 9.923 4.829 1.00 0.00 O ATOM 550 CB LYS A 84 -6.115 12.810 2.977 1.00 0.00 C ATOM 551 CG LYS A 84 -5.609 13.365 4.310 1.00 0.00 C ATOM 552 CD LYS A 84 -4.137 13.777 4.209 1.00 0.00 C ATOM 553 CE LYS A 84 -4.005 15.279 3.952 1.00 0.00 C ATOM 554 NZ LYS A 84 -4.123 16.033 5.221 1.00 0.00 N ATOM 0 H LYS A 84 -6.583 11.528 0.922 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.778 11.184 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.626 13.330 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.184 12.999 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.212 14.225 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.727 12.613 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.618 13.515 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.655 13.223 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.044 15.491 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.778 15.604 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.031 17.051 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.050 15.844 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.370 15.734 5.874 1.00 0.00 H new ATOM 568 N ASP A 85 -7.891 10.418 3.784 1.00 0.00 N ATOM 569 CA ASP A 85 -8.717 9.690 4.734 1.00 0.00 C ATOM 570 C ASP A 85 -8.205 8.253 4.850 1.00 0.00 C ATOM 571 O ASP A 85 -8.024 7.743 5.954 1.00 0.00 O ATOM 572 CB ASP A 85 -10.173 9.637 4.270 1.00 0.00 C ATOM 573 CG ASP A 85 -10.908 10.980 4.291 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.342 11.944 3.731 1.00 0.00 O ATOM 575 OD2 ASP A 85 -12.018 11.012 4.865 1.00 0.00 O ATOM 0 H ASP A 85 -8.406 10.862 3.024 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.663 10.205 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.201 9.240 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.715 8.933 4.902 1.00 0.00 H new ATOM 580 N LEU A 86 -7.989 7.640 3.695 1.00 0.00 N ATOM 581 CA LEU A 86 -7.527 6.263 3.654 1.00 0.00 C ATOM 582 C LEU A 86 -6.351 6.094 4.618 1.00 0.00 C ATOM 583 O LEU A 86 -6.422 5.305 5.559 1.00 0.00 O ATOM 584 CB LEU A 86 -7.210 5.848 2.217 1.00 0.00 C ATOM 585 CG LEU A 86 -6.737 4.404 2.023 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.914 3.478 1.709 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.642 4.325 0.957 1.00 0.00 C ATOM 0 H LEU A 86 -8.125 8.072 2.781 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.313 5.587 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.103 6.001 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.442 6.516 1.828 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.299 4.059 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.550 2.459 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.627 3.504 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.404 3.810 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.324 3.289 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.030 4.696 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.791 4.933 1.264 1.00 0.00 H new ATOM 599 N VAL A 87 -5.295 6.847 4.349 1.00 0.00 N ATOM 600 CA VAL A 87 -4.083 6.748 5.144 1.00 0.00 C ATOM 601 C VAL A 87 -4.408 7.066 6.605 1.00 0.00 C ATOM 602 O VAL A 87 -3.878 6.431 7.515 1.00 0.00 O ATOM 603 CB VAL A 87 -2.998 7.658 4.562 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.724 7.600 5.406 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.708 7.301 3.103 1.00 0.00 C ATOM 0 H VAL A 87 -5.253 7.529 3.591 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.689 5.732 5.112 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.370 8.682 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.969 8.255 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.946 7.926 6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.348 6.577 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.934 7.962 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.367 6.268 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.616 7.419 2.512 1.00 0.00 H new ATOM 615 N GLU A 88 -5.280 8.047 6.784 1.00 0.00 N ATOM 616 CA GLU A 88 -5.633 8.502 8.118 1.00 0.00 C ATOM 617 C GLU A 88 -6.452 7.433 8.844 1.00 0.00 C ATOM 618 O GLU A 88 -6.599 7.482 10.064 1.00 0.00 O ATOM 619 CB GLU A 88 -6.391 9.830 8.062 1.00 0.00 C ATOM 620 CG GLU A 88 -5.431 11.001 7.838 1.00 0.00 C ATOM 621 CD GLU A 88 -4.798 11.449 9.158 1.00 0.00 C ATOM 622 OE1 GLU A 88 -5.555 11.978 9.999 1.00 0.00 O ATOM 623 OE2 GLU A 88 -3.571 11.255 9.293 1.00 0.00 O ATOM 0 H GLU A 88 -5.753 8.540 6.027 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.713 8.670 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.126 9.799 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.941 9.978 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.650 10.707 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.968 11.835 7.386 1.00 0.00 H new ATOM 630 N SER A 89 -6.963 6.493 8.063 1.00 0.00 N ATOM 631 CA SER A 89 -7.800 5.438 8.610 1.00 0.00 C ATOM 632 C SER A 89 -7.027 4.118 8.636 1.00 0.00 C ATOM 633 O SER A 89 -7.626 3.045 8.688 1.00 0.00 O ATOM 634 CB SER A 89 -9.089 5.283 7.802 1.00 0.00 C ATOM 635 OG SER A 89 -9.979 6.379 8.001 1.00 0.00 O ATOM 0 H SER A 89 -6.814 6.440 7.055 1.00 0.00 H new ATOM 0 HA SER A 89 -8.073 5.712 9.629 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.845 5.202 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.586 4.356 8.087 1.00 0.00 H new ATOM 0 HG SER A 89 -9.686 7.141 7.459 1.00 0.00 H new ATOM 641 N ALA A 90 -5.709 4.239 8.596 1.00 0.00 N ATOM 642 CA ALA A 90 -4.848 3.069 8.634 1.00 0.00 C ATOM 643 C ALA A 90 -5.226 2.202 9.836 1.00 0.00 C ATOM 644 O ALA A 90 -5.692 2.713 10.853 1.00 0.00 O ATOM 645 CB ALA A 90 -3.384 3.513 8.673 1.00 0.00 C ATOM 0 H ALA A 90 -5.216 5.130 8.538 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.982 2.465 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.738 2.635 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.158 4.101 7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.211 4.120 9.562 1.00 0.00 H new ATOM 651 N PRO A 91 -5.007 0.870 9.675 1.00 0.00 N ATOM 652 CA PRO A 91 -4.465 0.344 8.432 1.00 0.00 C ATOM 653 C PRO A 91 -5.529 0.337 7.331 1.00 0.00 C ATOM 654 O PRO A 91 -6.725 0.357 7.619 1.00 0.00 O ATOM 655 CB PRO A 91 -3.960 -1.046 8.779 1.00 0.00 C ATOM 656 CG PRO A 91 -4.649 -1.428 10.078 1.00 0.00 C ATOM 657 CD PRO A 91 -5.265 -0.169 10.667 1.00 0.00 C ATOM 0 HA PRO A 91 -3.657 0.957 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.198 -1.757 7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.876 -1.050 8.896 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.417 -2.180 9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.934 -1.865 10.775 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.334 -0.295 10.840 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.814 0.080 11.628 1.00 0.00 H new ATOM 665 N ALA A 92 -5.055 0.308 6.095 1.00 0.00 N ATOM 666 CA ALA A 92 -5.949 0.338 4.951 1.00 0.00 C ATOM 667 C ALA A 92 -5.455 -0.655 3.896 1.00 0.00 C ATOM 668 O ALA A 92 -4.285 -1.035 3.897 1.00 0.00 O ATOM 669 CB ALA A 92 -6.038 1.766 4.409 1.00 0.00 C ATOM 0 H ALA A 92 -4.063 0.264 5.861 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.955 0.036 5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.709 1.788 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.421 2.427 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.047 2.102 4.104 1.00 0.00 H new ATOM 675 N ALA A 93 -6.371 -1.049 3.024 1.00 0.00 N ATOM 676 CA ALA A 93 -6.036 -1.971 1.951 1.00 0.00 C ATOM 677 C ALA A 93 -5.626 -1.176 0.711 1.00 0.00 C ATOM 678 O ALA A 93 -6.447 -0.481 0.114 1.00 0.00 O ATOM 679 CB ALA A 93 -7.224 -2.896 1.685 1.00 0.00 C ATOM 0 H ALA A 93 -7.345 -0.747 3.038 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.191 -2.599 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.974 -3.588 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.456 -3.459 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.090 -2.301 1.396 1.00 0.00 H new ATOM 685 N LEU A 94 -4.356 -1.304 0.359 1.00 0.00 N ATOM 686 CA LEU A 94 -3.830 -0.617 -0.809 1.00 0.00 C ATOM 687 C LEU A 94 -4.179 -1.417 -2.066 1.00 0.00 C ATOM 688 O LEU A 94 -4.664 -0.856 -3.048 1.00 0.00 O ATOM 689 CB LEU A 94 -2.332 -0.353 -0.646 1.00 0.00 C ATOM 690 CG LEU A 94 -1.949 1.029 -0.108 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.433 1.153 0.050 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.526 2.139 -0.989 1.00 0.00 C ATOM 0 H LEU A 94 -3.675 -1.873 0.862 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.294 0.364 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.921 -1.108 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.851 -0.490 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.387 1.144 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.187 2.143 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.077 0.395 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.047 1.009 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.240 3.110 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.137 2.038 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.613 2.060 -1.008 1.00 0.00 H new ATOM 704 N LYS A 95 -3.921 -2.714 -1.995 1.00 0.00 N ATOM 705 CA LYS A 95 -4.207 -3.596 -3.113 1.00 0.00 C ATOM 706 C LYS A 95 -4.676 -4.952 -2.579 1.00 0.00 C ATOM 707 O LYS A 95 -4.285 -5.363 -1.488 1.00 0.00 O ATOM 708 CB LYS A 95 -2.998 -3.689 -4.047 1.00 0.00 C ATOM 709 CG LYS A 95 -2.162 -2.409 -3.988 1.00 0.00 C ATOM 710 CD LYS A 95 -1.054 -2.429 -5.044 1.00 0.00 C ATOM 711 CE LYS A 95 0.092 -3.346 -4.618 1.00 0.00 C ATOM 712 NZ LYS A 95 0.996 -3.611 -5.761 1.00 0.00 N ATOM 0 H LYS A 95 -3.517 -3.176 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.018 -3.192 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.382 -4.544 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.336 -3.861 -5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.805 -1.543 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.722 -2.303 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.461 -2.768 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.677 -1.418 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.651 -2.885 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.308 -4.286 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.979 -3.651 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.743 -4.519 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.901 -2.849 -6.463 1.00 0.00 H new ATOM 726 N GLU A 96 -5.508 -5.608 -3.375 1.00 0.00 N ATOM 727 CA GLU A 96 -6.055 -6.897 -2.985 1.00 0.00 C ATOM 728 C GLU A 96 -5.768 -7.944 -4.064 1.00 0.00 C ATOM 729 O GLU A 96 -6.056 -7.724 -5.238 1.00 0.00 O ATOM 730 CB GLU A 96 -7.556 -6.793 -2.707 1.00 0.00 C ATOM 731 CG GLU A 96 -7.838 -5.790 -1.587 1.00 0.00 C ATOM 732 CD GLU A 96 -9.302 -5.857 -1.145 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.157 -6.022 -2.040 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.530 -5.743 0.078 1.00 0.00 O ATOM 0 H GLU A 96 -5.816 -5.272 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.569 -7.213 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.077 -6.487 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.947 -7.772 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.188 -5.997 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.604 -4.782 -1.929 1.00 0.00 H new ATOM 741 N GLY A 97 -5.205 -9.060 -3.625 1.00 0.00 N ATOM 742 CA GLY A 97 -4.886 -10.146 -4.536 1.00 0.00 C ATOM 743 C GLY A 97 -4.298 -9.611 -5.843 1.00 0.00 C ATOM 744 O GLY A 97 -4.993 -9.531 -6.854 1.00 0.00 O ATOM 0 H GLY A 97 -4.961 -9.236 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.175 -10.824 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.786 -10.724 -4.748 1.00 0.00 H new ATOM 748 N VAL A 98 -3.022 -9.257 -5.779 1.00 0.00 N ATOM 749 CA VAL A 98 -2.324 -8.761 -6.953 1.00 0.00 C ATOM 750 C VAL A 98 -1.060 -9.594 -7.179 1.00 0.00 C ATOM 751 O VAL A 98 -0.673 -10.385 -6.320 1.00 0.00 O ATOM 752 CB VAL A 98 -2.036 -7.266 -6.797 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.330 -6.452 -6.835 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.251 -6.990 -5.515 1.00 0.00 C ATOM 0 H VAL A 98 -2.454 -9.304 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.946 -8.867 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.420 -6.954 -7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.097 -5.393 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.833 -6.613 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.983 -6.769 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.060 -5.920 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.830 -7.326 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.303 -7.527 -5.546 1.00 0.00 H new ATOM 764 N SER A 99 -0.452 -9.385 -8.337 1.00 0.00 N ATOM 765 CA SER A 99 0.765 -10.099 -8.682 1.00 0.00 C ATOM 766 C SER A 99 1.864 -9.779 -7.667 1.00 0.00 C ATOM 767 O SER A 99 2.012 -8.631 -7.247 1.00 0.00 O ATOM 768 CB SER A 99 1.230 -9.745 -10.096 1.00 0.00 C ATOM 769 OG SER A 99 1.467 -8.347 -10.245 1.00 0.00 O ATOM 0 H SER A 99 -0.779 -8.731 -9.048 1.00 0.00 H new ATOM 0 HA SER A 99 0.553 -11.168 -8.655 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.143 -10.294 -10.326 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.476 -10.064 -10.816 1.00 0.00 H new ATOM 0 HG SER A 99 0.611 -7.870 -10.264 1.00 0.00 H new ATOM 775 N LYS A 100 2.609 -10.812 -7.302 1.00 0.00 N ATOM 776 CA LYS A 100 3.679 -10.659 -6.331 1.00 0.00 C ATOM 777 C LYS A 100 4.606 -9.525 -6.775 1.00 0.00 C ATOM 778 O LYS A 100 4.994 -8.685 -5.965 1.00 0.00 O ATOM 779 CB LYS A 100 4.399 -11.991 -6.112 1.00 0.00 C ATOM 780 CG LYS A 100 5.128 -12.007 -4.767 1.00 0.00 C ATOM 781 CD LYS A 100 6.433 -12.799 -4.860 1.00 0.00 C ATOM 782 CE LYS A 100 6.965 -13.143 -3.468 1.00 0.00 C ATOM 783 NZ LYS A 100 8.440 -13.020 -3.431 1.00 0.00 N ATOM 0 H LYS A 100 2.493 -11.759 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 100 3.274 -10.379 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.678 -12.808 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.113 -12.159 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.340 -10.985 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.484 -12.448 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.267 -13.715 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.177 -12.218 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.520 -12.478 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.672 -14.158 -3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.809 -13.520 -2.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.845 -13.438 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.703 -12.015 -3.376 1.00 0.00 H new ATOM 797 N ASP A 101 4.930 -9.538 -8.059 1.00 0.00 N ATOM 798 CA ASP A 101 5.861 -8.564 -8.605 1.00 0.00 C ATOM 799 C ASP A 101 5.359 -7.153 -8.290 1.00 0.00 C ATOM 800 O ASP A 101 6.141 -6.280 -7.918 1.00 0.00 O ATOM 801 CB ASP A 101 5.970 -8.699 -10.125 1.00 0.00 C ATOM 802 CG ASP A 101 6.740 -9.928 -10.611 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.614 -10.976 -9.943 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.436 -9.792 -11.640 1.00 0.00 O ATOM 0 H ASP A 101 4.565 -10.207 -8.737 1.00 0.00 H new ATOM 0 HA ASP A 101 6.838 -8.742 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.965 -8.729 -10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.454 -7.806 -10.520 1.00 0.00 H new ATOM 809 N ASP A 102 4.055 -6.974 -8.451 1.00 0.00 N ATOM 810 CA ASP A 102 3.442 -5.679 -8.204 1.00 0.00 C ATOM 811 C ASP A 102 3.495 -5.372 -6.707 1.00 0.00 C ATOM 812 O ASP A 102 3.687 -4.223 -6.313 1.00 0.00 O ATOM 813 CB ASP A 102 1.974 -5.675 -8.637 1.00 0.00 C ATOM 814 CG ASP A 102 1.745 -5.589 -10.148 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.754 -5.419 -10.866 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.567 -5.696 -10.549 1.00 0.00 O ATOM 0 H ASP A 102 3.407 -7.703 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 102 3.990 -4.931 -8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.498 -6.582 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.473 -4.833 -8.160 1.00 0.00 H new ATOM 821 N ALA A 103 3.321 -6.419 -5.914 1.00 0.00 N ATOM 822 CA ALA A 103 3.340 -6.274 -4.468 1.00 0.00 C ATOM 823 C ALA A 103 4.712 -5.761 -4.028 1.00 0.00 C ATOM 824 O ALA A 103 4.804 -4.808 -3.255 1.00 0.00 O ATOM 825 CB ALA A 103 2.981 -7.610 -3.816 1.00 0.00 C ATOM 0 H ALA A 103 3.166 -7.371 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 103 2.597 -5.544 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.995 -7.501 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.985 -7.916 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.706 -8.367 -4.114 1.00 0.00 H new ATOM 831 N GLU A 104 5.745 -6.414 -4.540 1.00 0.00 N ATOM 832 CA GLU A 104 7.106 -6.079 -4.161 1.00 0.00 C ATOM 833 C GLU A 104 7.478 -4.693 -4.691 1.00 0.00 C ATOM 834 O GLU A 104 8.344 -4.021 -4.132 1.00 0.00 O ATOM 835 CB GLU A 104 8.091 -7.138 -4.657 1.00 0.00 C ATOM 836 CG GLU A 104 8.594 -8.004 -3.501 1.00 0.00 C ATOM 837 CD GLU A 104 7.588 -9.107 -3.163 1.00 0.00 C ATOM 838 OE1 GLU A 104 6.468 -8.745 -2.741 1.00 0.00 O ATOM 839 OE2 GLU A 104 7.962 -10.287 -3.334 1.00 0.00 O ATOM 0 H GLU A 104 5.666 -7.174 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 104 7.164 -6.059 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.608 -7.768 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.935 -6.653 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.552 -8.450 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.765 -7.381 -2.623 1.00 0.00 H new ATOM 846 N ALA A 105 6.806 -4.305 -5.766 1.00 0.00 N ATOM 847 CA ALA A 105 7.068 -3.018 -6.389 1.00 0.00 C ATOM 848 C ALA A 105 6.569 -1.902 -5.471 1.00 0.00 C ATOM 849 O ALA A 105 7.308 -0.965 -5.168 1.00 0.00 O ATOM 850 CB ALA A 105 6.411 -2.977 -7.769 1.00 0.00 C ATOM 0 H ALA A 105 6.081 -4.859 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 105 8.138 -2.871 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.607 -2.012 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.822 -3.772 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.335 -3.117 -7.664 1.00 0.00 H new ATOM 856 N LEU A 106 5.318 -2.035 -5.054 1.00 0.00 N ATOM 857 CA LEU A 106 4.707 -1.039 -4.191 1.00 0.00 C ATOM 858 C LEU A 106 5.431 -1.024 -2.844 1.00 0.00 C ATOM 859 O LEU A 106 5.755 0.042 -2.321 1.00 0.00 O ATOM 860 CB LEU A 106 3.201 -1.283 -4.078 1.00 0.00 C ATOM 861 CG LEU A 106 2.436 -0.328 -3.158 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.790 -0.577 -1.690 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.668 1.129 -3.564 1.00 0.00 C ATOM 0 H LEU A 106 4.711 -2.818 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 106 4.815 -0.043 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.767 -1.221 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.043 -2.302 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 106 1.370 -0.528 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.232 0.115 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.531 -1.601 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.859 -0.422 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.113 1.786 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.731 1.360 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.325 1.281 -4.587 1.00 0.00 H new ATOM 875 N LYS A 107 5.664 -2.218 -2.320 1.00 0.00 N ATOM 876 CA LYS A 107 6.321 -2.354 -1.030 1.00 0.00 C ATOM 877 C LYS A 107 7.662 -1.620 -1.063 1.00 0.00 C ATOM 878 O LYS A 107 7.958 -0.819 -0.177 1.00 0.00 O ATOM 879 CB LYS A 107 6.436 -3.830 -0.642 1.00 0.00 C ATOM 880 CG LYS A 107 7.209 -3.992 0.669 1.00 0.00 C ATOM 881 CD LYS A 107 7.178 -5.445 1.148 1.00 0.00 C ATOM 882 CE LYS A 107 7.757 -5.570 2.558 1.00 0.00 C ATOM 883 NZ LYS A 107 7.831 -6.992 2.964 1.00 0.00 N ATOM 0 H LYS A 107 5.410 -3.100 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 107 5.723 -1.887 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.440 -4.261 -0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.940 -4.381 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.242 -3.674 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.777 -3.344 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.152 -5.813 1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.747 -6.070 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.751 -5.124 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.137 -5.016 3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.226 -7.059 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.877 -7.406 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.442 -7.511 2.301 1.00 0.00 H new ATOM 897 N LYS A 108 8.437 -1.918 -2.096 1.00 0.00 N ATOM 898 CA LYS A 108 9.754 -1.320 -2.240 1.00 0.00 C ATOM 899 C LYS A 108 9.629 0.203 -2.152 1.00 0.00 C ATOM 900 O LYS A 108 10.458 0.862 -1.527 1.00 0.00 O ATOM 901 CB LYS A 108 10.426 -1.808 -3.525 1.00 0.00 C ATOM 902 CG LYS A 108 11.100 -3.165 -3.309 1.00 0.00 C ATOM 903 CD LYS A 108 11.517 -3.789 -4.642 1.00 0.00 C ATOM 904 CE LYS A 108 12.791 -4.623 -4.484 1.00 0.00 C ATOM 905 NZ LYS A 108 13.147 -5.272 -5.764 1.00 0.00 N ATOM 0 H LYS A 108 8.178 -2.565 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 108 10.407 -1.635 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.684 -1.888 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.166 -1.078 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.975 -3.043 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.417 -3.835 -2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.711 -4.418 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.682 -3.003 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.611 -3.986 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.644 -5.380 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.013 -5.834 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.371 -5.895 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.308 -4.544 -6.489 1.00 0.00 H new ATOM 919 N ALA A 109 8.586 0.717 -2.788 1.00 0.00 N ATOM 920 CA ALA A 109 8.387 2.155 -2.856 1.00 0.00 C ATOM 921 C ALA A 109 8.115 2.694 -1.451 1.00 0.00 C ATOM 922 O ALA A 109 8.619 3.753 -1.079 1.00 0.00 O ATOM 923 CB ALA A 109 7.250 2.467 -3.830 1.00 0.00 C ATOM 0 H ALA A 109 7.871 0.164 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 109 9.283 2.650 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.100 3.545 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.505 2.089 -4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.333 1.990 -3.484 1.00 0.00 H new ATOM 929 N LEU A 110 7.317 1.942 -0.706 1.00 0.00 N ATOM 930 CA LEU A 110 6.976 2.328 0.652 1.00 0.00 C ATOM 931 C LEU A 110 8.244 2.343 1.509 1.00 0.00 C ATOM 932 O LEU A 110 8.475 3.285 2.264 1.00 0.00 O ATOM 933 CB LEU A 110 5.872 1.425 1.204 1.00 0.00 C ATOM 934 CG LEU A 110 4.436 1.838 0.868 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.848 2.723 1.969 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.367 2.509 -0.506 1.00 0.00 C ATOM 0 H LEU A 110 6.897 1.067 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 110 6.568 3.339 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.035 0.414 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.973 1.383 2.289 1.00 0.00 H new ATOM 0 HG LEU A 110 3.824 0.938 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.828 3.002 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.842 2.176 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.454 3.623 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.337 2.793 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.997 3.399 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.718 1.814 -1.268 1.00 0.00 H new ATOM 948 N GLU A 111 9.031 1.287 1.360 1.00 0.00 N ATOM 949 CA GLU A 111 10.241 1.140 2.151 1.00 0.00 C ATOM 950 C GLU A 111 11.253 2.226 1.779 1.00 0.00 C ATOM 951 O GLU A 111 11.962 2.741 2.644 1.00 0.00 O ATOM 952 CB GLU A 111 10.844 -0.255 1.975 1.00 0.00 C ATOM 953 CG GLU A 111 9.980 -1.317 2.662 1.00 0.00 C ATOM 954 CD GLU A 111 10.649 -2.691 2.597 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.523 -3.334 1.533 1.00 0.00 O ATOM 956 OE2 GLU A 111 11.269 -3.068 3.614 1.00 0.00 O ATOM 0 H GLU A 111 8.854 0.526 0.704 1.00 0.00 H new ATOM 0 HA GLU A 111 9.981 1.258 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.934 -0.485 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.851 -0.275 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.813 -1.038 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.002 -1.361 2.183 1.00 0.00 H new ATOM 963 N GLU A 112 11.288 2.542 0.494 1.00 0.00 N ATOM 964 CA GLU A 112 12.194 3.564 -0.001 1.00 0.00 C ATOM 965 C GLU A 112 11.924 4.898 0.701 1.00 0.00 C ATOM 966 O GLU A 112 12.854 5.640 1.011 1.00 0.00 O ATOM 967 CB GLU A 112 12.080 3.711 -1.519 1.00 0.00 C ATOM 968 CG GLU A 112 12.940 2.670 -2.237 1.00 0.00 C ATOM 969 CD GLU A 112 14.426 3.023 -2.135 1.00 0.00 C ATOM 970 OE1 GLU A 112 14.752 4.198 -2.414 1.00 0.00 O ATOM 971 OE2 GLU A 112 15.204 2.111 -1.779 1.00 0.00 O ATOM 0 H GLU A 112 10.703 2.108 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 112 13.215 3.256 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.039 3.599 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.392 4.712 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.765 1.686 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.647 2.612 -3.285 1.00 0.00 H new ATOM 978 N ALA A 113 10.645 5.161 0.930 1.00 0.00 N ATOM 979 CA ALA A 113 10.238 6.402 1.564 1.00 0.00 C ATOM 980 C ALA A 113 10.375 6.265 3.082 1.00 0.00 C ATOM 981 O ALA A 113 10.616 7.249 3.779 1.00 0.00 O ATOM 982 CB ALA A 113 8.812 6.752 1.137 1.00 0.00 C ATOM 0 H ALA A 113 9.877 4.535 0.687 1.00 0.00 H new ATOM 0 HA ALA A 113 10.883 7.222 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.508 7.684 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.775 6.870 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.135 5.952 1.439 1.00 0.00 H new ATOM 988 N GLY A 114 10.216 5.035 3.548 1.00 0.00 N ATOM 989 CA GLY A 114 10.329 4.752 4.969 1.00 0.00 C ATOM 990 C GLY A 114 8.949 4.612 5.612 1.00 0.00 C ATOM 991 O GLY A 114 8.613 5.349 6.537 1.00 0.00 O ATOM 0 H GLY A 114 10.010 4.223 2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.897 3.834 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.883 5.552 5.460 1.00 0.00 H new ATOM 995 N ALA A 115 8.184 3.661 5.095 1.00 0.00 N ATOM 996 CA ALA A 115 6.843 3.423 5.598 1.00 0.00 C ATOM 997 C ALA A 115 6.685 1.939 5.935 1.00 0.00 C ATOM 998 O ALA A 115 7.429 1.101 5.426 1.00 0.00 O ATOM 999 CB ALA A 115 5.817 3.899 4.566 1.00 0.00 C ATOM 0 H ALA A 115 8.469 3.046 4.332 1.00 0.00 H new ATOM 0 HA ALA A 115 6.671 3.989 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.811 3.720 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.952 4.965 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.957 3.351 3.634 1.00 0.00 H new ATOM 1005 N GLU A 116 5.712 1.659 6.789 1.00 0.00 N ATOM 1006 CA GLU A 116 5.455 0.291 7.209 1.00 0.00 C ATOM 1007 C GLU A 116 4.379 -0.342 6.325 1.00 0.00 C ATOM 1008 O GLU A 116 3.251 0.148 6.265 1.00 0.00 O ATOM 1009 CB GLU A 116 5.055 0.237 8.685 1.00 0.00 C ATOM 1010 CG GLU A 116 4.917 -1.210 9.162 1.00 0.00 C ATOM 1011 CD GLU A 116 6.292 -1.850 9.371 1.00 0.00 C ATOM 1012 OE1 GLU A 116 6.907 -2.219 8.349 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.695 -1.956 10.549 1.00 0.00 O ATOM 0 H GLU A 116 5.092 2.356 7.202 1.00 0.00 H new ATOM 0 HA GLU A 116 6.375 -0.283 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.803 0.753 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.111 0.763 8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.353 -1.238 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.351 -1.786 8.430 1.00 0.00 H new ATOM 1020 N VAL A 117 4.764 -1.421 5.660 1.00 0.00 N ATOM 1021 CA VAL A 117 3.851 -2.117 4.769 1.00 0.00 C ATOM 1022 C VAL A 117 3.544 -3.502 5.341 1.00 0.00 C ATOM 1023 O VAL A 117 4.284 -4.008 6.184 1.00 0.00 O ATOM 1024 CB VAL A 117 4.437 -2.170 3.357 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.977 -3.429 2.618 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.078 -0.909 2.568 1.00 0.00 C ATOM 0 H VAL A 117 5.696 -1.831 5.720 1.00 0.00 H new ATOM 0 HA VAL A 117 2.906 -1.579 4.694 1.00 0.00 H new ATOM 0 HB VAL A 117 5.523 -2.213 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.408 -3.441 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.305 -4.313 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.889 -3.431 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.506 -0.971 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.994 -0.823 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.478 -0.033 3.080 1.00 0.00 H new ATOM 1036 N GLU A 118 2.451 -4.078 4.859 1.00 0.00 N ATOM 1037 CA GLU A 118 2.061 -5.412 5.280 1.00 0.00 C ATOM 1038 C GLU A 118 1.629 -6.245 4.069 1.00 0.00 C ATOM 1039 O GLU A 118 0.857 -5.777 3.235 1.00 0.00 O ATOM 1040 CB GLU A 118 0.950 -5.355 6.330 1.00 0.00 C ATOM 1041 CG GLU A 118 0.344 -6.739 6.564 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.491 -6.763 7.847 1.00 0.00 C ATOM 1043 OE1 GLU A 118 0.132 -6.728 8.930 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -1.733 -6.814 7.713 1.00 0.00 O ATOM 0 H GLU A 118 1.824 -3.644 4.181 1.00 0.00 H new ATOM 0 HA GLU A 118 2.924 -5.893 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.350 -4.966 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.172 -4.664 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.281 -7.015 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.139 -7.482 6.629 1.00 0.00 H new ATOM 1051 N VAL A 119 2.146 -7.463 4.015 1.00 0.00 N ATOM 1052 CA VAL A 119 1.815 -8.368 2.928 1.00 0.00 C ATOM 1053 C VAL A 119 0.955 -9.513 3.467 1.00 0.00 C ATOM 1054 O VAL A 119 1.378 -10.242 4.363 1.00 0.00 O ATOM 1055 CB VAL A 119 3.095 -8.852 2.242 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.769 -9.678 0.995 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.010 -7.678 1.899 1.00 0.00 C ATOM 0 H VAL A 119 2.792 -7.844 4.706 1.00 0.00 H new ATOM 0 HA VAL A 119 1.229 -7.853 2.167 1.00 0.00 H new ATOM 0 HB VAL A 119 3.627 -9.497 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.695 -10.010 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.175 -10.546 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.205 -9.067 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.912 -8.050 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.490 -6.996 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.282 -7.150 2.813 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.235 -9.636 2.899 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.164 -10.669 3.323 1.00 0.00 C ATOM 1069 C LYS A 120 -1.379 -11.658 2.176 1.00 0.00 C ATOM 1070 O LYS A 120 -0.693 -11.591 1.157 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.458 -10.044 3.847 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.831 -10.617 5.214 1.00 0.00 C ATOM 1073 CD LYS A 120 -2.932 -9.510 6.266 1.00 0.00 C ATOM 1074 CE LYS A 120 -3.021 -10.099 7.675 1.00 0.00 C ATOM 1075 NZ LYS A 120 -2.749 -9.055 8.690 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.309 -12.529 2.374 1.00 0.00 O ATOM 0 H LYS A 120 -0.578 -9.037 2.148 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.750 -11.234 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.339 -8.963 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.267 -10.227 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.783 -11.144 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.084 -11.348 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -2.063 -8.856 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.810 -8.895 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.012 -10.523 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -2.305 -10.914 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -1.848 -9.260 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -2.692 -8.126 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -3.517 -9.045 9.392 1.00 0.00 H new TER 1090 LYS A 120