USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -1.98 K(o=-2,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc=0.000823 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 16:sc= 0.79 USER MOD Single : A 15 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.7) USER MOD Single : A 18 SER OG : rot -65:sc= 1.1 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.06) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.48) USER MOD Single : A 35 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.026) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 100:sc= 0.0681 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-4!) USER MOD Single : A 70 ASN : amide:sc= -4.02! K(o=-4!,f=0.53) USER MOD Single : A 75 SER OG : rot -82:sc= 1.13 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 79 HIS : no HD1:sc= -4.29! K(o=-4.3!,f=-2.7) USER MOD Single : A 81 GLN : amide:sc= -0.0143 K(o=-0.014,f=-0.8) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -92:sc= 1.02 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.476 -16.261 8.588 1.00 0.00 N ATOM 2 CA GLY A 1 -12.821 -15.764 9.909 1.00 0.00 C ATOM 3 C GLY A 1 -14.305 -15.400 9.988 1.00 0.00 C ATOM 4 O GLY A 1 -15.090 -15.791 9.126 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.016 -17.190 8.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.339 -16.355 8.016 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.825 -15.595 8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.588 -16.521 10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.215 -14.888 10.142 1.00 0.00 H new ATOM 8 N SER A 2 -14.644 -14.655 11.029 1.00 0.00 N ATOM 9 CA SER A 2 -16.020 -14.234 11.232 1.00 0.00 C ATOM 10 C SER A 2 -16.270 -12.903 10.520 1.00 0.00 C ATOM 11 O SER A 2 -15.473 -11.974 10.636 1.00 0.00 O ATOM 12 CB SER A 2 -16.344 -14.108 12.722 1.00 0.00 C ATOM 13 OG SER A 2 -15.372 -13.330 13.415 1.00 0.00 O ATOM 0 H SER A 2 -13.990 -14.332 11.741 1.00 0.00 H new ATOM 0 HA SER A 2 -16.676 -14.994 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.327 -13.652 12.842 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.397 -15.102 13.167 1.00 0.00 H new ATOM 0 HG SER A 2 -15.072 -12.595 12.841 1.00 0.00 H new ATOM 19 N SER A 3 -17.381 -12.854 9.799 1.00 0.00 N ATOM 20 CA SER A 3 -17.746 -11.653 9.068 1.00 0.00 C ATOM 21 C SER A 3 -16.559 -11.166 8.234 1.00 0.00 C ATOM 22 O SER A 3 -15.850 -10.245 8.636 1.00 0.00 O ATOM 23 CB SER A 3 -18.214 -10.550 10.019 1.00 0.00 C ATOM 24 OG SER A 3 -19.436 -9.956 9.589 1.00 0.00 O ATOM 0 H SER A 3 -18.040 -13.627 9.706 1.00 0.00 H new ATOM 0 HA SER A 3 -18.574 -11.897 8.402 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.345 -10.965 11.019 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.443 -9.782 10.091 1.00 0.00 H new ATOM 0 HG SER A 3 -19.702 -9.258 10.224 1.00 0.00 H new ATOM 30 N GLY A 4 -16.379 -11.807 7.088 1.00 0.00 N ATOM 31 CA GLY A 4 -15.290 -11.451 6.195 1.00 0.00 C ATOM 32 C GLY A 4 -15.209 -12.422 5.015 1.00 0.00 C ATOM 33 O GLY A 4 -14.203 -13.107 4.838 1.00 0.00 O ATOM 0 H GLY A 4 -16.969 -12.571 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.435 -10.436 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.348 -11.460 6.743 1.00 0.00 H new ATOM 37 N SER A 5 -16.283 -12.450 4.239 1.00 0.00 N ATOM 38 CA SER A 5 -16.346 -13.325 3.081 1.00 0.00 C ATOM 39 C SER A 5 -16.211 -12.505 1.796 1.00 0.00 C ATOM 40 O SER A 5 -17.202 -11.995 1.275 1.00 0.00 O ATOM 41 CB SER A 5 -17.650 -14.125 3.065 1.00 0.00 C ATOM 42 OG SER A 5 -17.494 -15.388 2.424 1.00 0.00 O ATOM 0 H SER A 5 -17.116 -11.881 4.390 1.00 0.00 H new ATOM 0 HA SER A 5 -15.518 -14.032 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.994 -14.278 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.421 -13.551 2.552 1.00 0.00 H new ATOM 0 HG SER A 5 -18.348 -15.869 2.436 1.00 0.00 H new ATOM 48 N SER A 6 -14.978 -12.404 1.323 1.00 0.00 N ATOM 49 CA SER A 6 -14.701 -11.654 0.110 1.00 0.00 C ATOM 50 C SER A 6 -14.873 -10.156 0.370 1.00 0.00 C ATOM 51 O SER A 6 -15.932 -9.592 0.097 1.00 0.00 O ATOM 52 CB SER A 6 -15.613 -12.102 -1.035 1.00 0.00 C ATOM 53 OG SER A 6 -14.885 -12.334 -2.237 1.00 0.00 O ATOM 0 H SER A 6 -14.159 -12.829 1.758 1.00 0.00 H new ATOM 0 HA SER A 6 -13.670 -11.849 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.136 -13.014 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.373 -11.341 -1.212 1.00 0.00 H new ATOM 0 HG SER A 6 -15.502 -12.620 -2.943 1.00 0.00 H new ATOM 59 N GLY A 7 -13.816 -9.553 0.894 1.00 0.00 N ATOM 60 CA GLY A 7 -13.836 -8.132 1.193 1.00 0.00 C ATOM 61 C GLY A 7 -13.933 -7.302 -0.089 1.00 0.00 C ATOM 62 O GLY A 7 -14.646 -7.673 -1.020 1.00 0.00 O ATOM 0 H GLY A 7 -12.939 -10.024 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.682 -7.905 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.933 -7.859 1.739 1.00 0.00 H new ATOM 66 N LYS A 8 -13.205 -6.195 -0.096 1.00 0.00 N ATOM 67 CA LYS A 8 -13.199 -5.311 -1.248 1.00 0.00 C ATOM 68 C LYS A 8 -11.778 -4.795 -1.484 1.00 0.00 C ATOM 69 O LYS A 8 -10.971 -4.745 -0.557 1.00 0.00 O ATOM 70 CB LYS A 8 -14.236 -4.198 -1.075 1.00 0.00 C ATOM 71 CG LYS A 8 -15.357 -4.329 -2.108 1.00 0.00 C ATOM 72 CD LYS A 8 -16.509 -5.174 -1.562 1.00 0.00 C ATOM 73 CE LYS A 8 -17.850 -4.707 -2.131 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.625 -3.977 -1.102 1.00 0.00 N ATOM 0 H LYS A 8 -12.615 -5.890 0.678 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.494 -5.855 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.656 -4.240 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.753 -3.226 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.724 -3.339 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.967 -4.785 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.348 -6.222 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.529 -5.108 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.681 -4.062 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.421 -5.566 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.532 -3.667 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.803 -4.604 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.085 -3.146 -0.785 1.00 0.00 H new ATOM 88 N SER A 9 -11.515 -4.426 -2.728 1.00 0.00 N ATOM 89 CA SER A 9 -10.205 -3.917 -3.097 1.00 0.00 C ATOM 90 C SER A 9 -10.316 -2.454 -3.534 1.00 0.00 C ATOM 91 O SER A 9 -10.970 -2.148 -4.529 1.00 0.00 O ATOM 92 CB SER A 9 -9.581 -4.758 -4.212 1.00 0.00 C ATOM 93 OG SER A 9 -10.211 -4.529 -5.470 1.00 0.00 O ATOM 0 H SER A 9 -12.187 -4.469 -3.494 1.00 0.00 H new ATOM 0 HA SER A 9 -9.555 -3.981 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.519 -4.525 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.657 -5.815 -3.955 1.00 0.00 H new ATOM 0 HG SER A 9 -10.743 -3.707 -5.425 1.00 0.00 H new ATOM 99 N LEU A 10 -9.667 -1.590 -2.767 1.00 0.00 N ATOM 100 CA LEU A 10 -9.685 -0.168 -3.063 1.00 0.00 C ATOM 101 C LEU A 10 -8.330 0.245 -3.643 1.00 0.00 C ATOM 102 O LEU A 10 -7.313 -0.389 -3.366 1.00 0.00 O ATOM 103 CB LEU A 10 -10.092 0.632 -1.823 1.00 0.00 C ATOM 104 CG LEU A 10 -11.257 0.062 -1.011 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.517 0.905 0.240 1.00 0.00 C ATOM 106 CD2 LEU A 10 -12.510 -0.081 -1.876 1.00 0.00 C ATOM 0 H LEU A 10 -9.126 -1.847 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.438 0.054 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.225 0.716 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.353 1.643 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.982 -0.938 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.350 0.479 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.625 0.912 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.762 1.926 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.323 -0.488 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.799 0.896 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.303 -0.753 -2.708 1.00 0.00 H new ATOM 118 N THR A 11 -8.361 1.306 -4.437 1.00 0.00 N ATOM 119 CA THR A 11 -7.149 1.811 -5.058 1.00 0.00 C ATOM 120 C THR A 11 -6.688 3.093 -4.363 1.00 0.00 C ATOM 121 O THR A 11 -7.507 3.935 -3.998 1.00 0.00 O ATOM 122 CB THR A 11 -7.424 1.994 -6.552 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.371 0.974 -6.858 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.211 1.648 -7.418 1.00 0.00 C ATOM 0 H THR A 11 -9.207 1.829 -4.664 1.00 0.00 H new ATOM 0 HA THR A 11 -6.325 1.106 -4.949 1.00 0.00 H new ATOM 0 HB THR A 11 -7.723 3.025 -6.742 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.607 1.021 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.460 1.795 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.376 2.295 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.932 0.607 -7.254 1.00 0.00 H new ATOM 132 N LEU A 12 -5.377 3.203 -4.202 1.00 0.00 N ATOM 133 CA LEU A 12 -4.797 4.369 -3.558 1.00 0.00 C ATOM 134 C LEU A 12 -3.512 4.763 -4.288 1.00 0.00 C ATOM 135 O LEU A 12 -2.672 3.912 -4.577 1.00 0.00 O ATOM 136 CB LEU A 12 -4.601 4.112 -2.062 1.00 0.00 C ATOM 137 CG LEU A 12 -4.968 2.712 -1.568 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.753 1.783 -1.602 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.607 2.770 -0.179 1.00 0.00 C ATOM 0 H LEU A 12 -4.700 2.503 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.476 5.219 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.556 4.300 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.195 4.839 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.712 2.294 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.041 0.794 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.382 1.707 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.969 2.186 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.858 1.761 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.905 3.216 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.513 3.374 -0.220 1.00 0.00 H new ATOM 151 N VAL A 13 -3.399 6.054 -4.565 1.00 0.00 N ATOM 152 CA VAL A 13 -2.230 6.571 -5.256 1.00 0.00 C ATOM 153 C VAL A 13 -1.259 7.165 -4.233 1.00 0.00 C ATOM 154 O VAL A 13 -1.587 8.135 -3.551 1.00 0.00 O ATOM 155 CB VAL A 13 -2.658 7.577 -6.328 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.656 9.002 -5.773 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.767 7.469 -7.567 1.00 0.00 C ATOM 0 H VAL A 13 -4.098 6.757 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.706 5.767 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.678 7.336 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.964 9.697 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.350 9.067 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.653 9.259 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.092 8.194 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.733 7.672 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.841 6.464 -7.982 1.00 0.00 H new ATOM 167 N LEU A 14 -0.084 6.558 -4.158 1.00 0.00 N ATOM 168 CA LEU A 14 0.936 7.014 -3.230 1.00 0.00 C ATOM 169 C LEU A 14 2.034 7.746 -4.005 1.00 0.00 C ATOM 170 O LEU A 14 2.233 7.496 -5.192 1.00 0.00 O ATOM 171 CB LEU A 14 1.453 5.847 -2.386 1.00 0.00 C ATOM 172 CG LEU A 14 0.392 5.039 -1.636 1.00 0.00 C ATOM 173 CD1 LEU A 14 1.040 4.011 -0.707 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.571 5.962 -0.887 1.00 0.00 C ATOM 0 H LEU A 14 0.184 5.754 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 14 0.515 7.728 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.004 5.169 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.165 6.238 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.196 4.485 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.263 3.451 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.651 3.325 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.668 4.524 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.315 5.363 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.014 6.561 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.071 6.620 -1.598 1.00 0.00 H new ATOM 186 N HIS A 15 2.717 8.637 -3.301 1.00 0.00 N ATOM 187 CA HIS A 15 3.789 9.408 -3.908 1.00 0.00 C ATOM 188 C HIS A 15 5.093 9.158 -3.149 1.00 0.00 C ATOM 189 O HIS A 15 5.103 8.460 -2.136 1.00 0.00 O ATOM 190 CB HIS A 15 3.419 10.890 -3.979 1.00 0.00 C ATOM 191 CG HIS A 15 2.298 11.198 -4.944 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.517 11.486 -6.280 1.00 0.00 N ATOM 193 CD2 HIS A 15 0.949 11.259 -4.752 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.346 11.709 -6.857 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.375 11.569 -5.908 1.00 0.00 N ATOM 0 H HIS A 15 2.549 8.842 -2.316 1.00 0.00 H new ATOM 0 HA HIS A 15 3.940 9.082 -4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.132 11.230 -2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.301 11.461 -4.269 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.435 11.085 -3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.187 11.958 -7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.627 11.684 -6.062 1.00 0.00 H new ATOM 203 N ARG A 16 6.164 9.742 -3.667 1.00 0.00 N ATOM 204 CA ARG A 16 7.471 9.592 -3.051 1.00 0.00 C ATOM 205 C ARG A 16 8.103 10.963 -2.806 1.00 0.00 C ATOM 206 O ARG A 16 8.839 11.471 -3.651 1.00 0.00 O ATOM 207 CB ARG A 16 8.403 8.758 -3.933 1.00 0.00 C ATOM 208 CG ARG A 16 8.013 7.279 -3.898 1.00 0.00 C ATOM 209 CD ARG A 16 9.193 6.411 -3.455 1.00 0.00 C ATOM 210 NE ARG A 16 10.445 6.910 -4.066 1.00 0.00 N ATOM 211 CZ ARG A 16 10.887 6.546 -5.277 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.182 5.678 -6.015 1.00 0.00 N ATOM 213 NH2 ARG A 16 12.035 7.050 -5.751 1.00 0.00 N ATOM 0 H ARG A 16 6.153 10.320 -4.507 1.00 0.00 H new ATOM 0 HA ARG A 16 7.332 9.077 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.363 9.124 -4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.432 8.875 -3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.175 7.136 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.676 6.965 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.278 6.425 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.023 5.375 -3.748 1.00 0.00 H new ATOM 0 HE ARG A 16 11.007 7.573 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.308 5.294 -5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.519 5.401 -6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.572 7.711 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.371 6.773 -6.673 1.00 0.00 H new ATOM 227 N ASP A 17 7.793 11.524 -1.647 1.00 0.00 N ATOM 228 CA ASP A 17 8.321 12.827 -1.280 1.00 0.00 C ATOM 229 C ASP A 17 9.832 12.718 -1.068 1.00 0.00 C ATOM 230 O ASP A 17 10.515 13.729 -0.912 1.00 0.00 O ATOM 231 CB ASP A 17 7.696 13.329 0.023 1.00 0.00 C ATOM 232 CG ASP A 17 8.587 14.253 0.854 1.00 0.00 C ATOM 233 OD1 ASP A 17 8.916 15.342 0.334 1.00 0.00 O ATOM 234 OD2 ASP A 17 8.919 13.852 1.990 1.00 0.00 O ATOM 0 H ASP A 17 7.182 11.100 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 17 8.086 13.524 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.772 13.857 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.423 12.468 0.633 1.00 0.00 H new ATOM 239 N SER A 18 10.310 11.482 -1.070 1.00 0.00 N ATOM 240 CA SER A 18 11.728 11.228 -0.879 1.00 0.00 C ATOM 241 C SER A 18 11.944 9.786 -0.417 1.00 0.00 C ATOM 242 O SER A 18 12.467 9.551 0.671 1.00 0.00 O ATOM 243 CB SER A 18 12.332 12.205 0.132 1.00 0.00 C ATOM 244 OG SER A 18 13.525 11.695 0.720 1.00 0.00 O ATOM 0 H SER A 18 9.741 10.646 -1.201 1.00 0.00 H new ATOM 0 HA SER A 18 12.233 11.377 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.548 13.152 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.603 12.414 0.915 1.00 0.00 H new ATOM 0 HG SER A 18 13.313 10.901 1.254 1.00 0.00 H new ATOM 250 N GLY A 19 11.530 8.858 -1.267 1.00 0.00 N ATOM 251 CA GLY A 19 11.671 7.445 -0.959 1.00 0.00 C ATOM 252 C GLY A 19 11.217 7.147 0.471 1.00 0.00 C ATOM 253 O GLY A 19 11.921 6.473 1.222 1.00 0.00 O ATOM 0 H GLY A 19 11.097 9.057 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.082 6.856 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.711 7.144 -1.084 1.00 0.00 H new ATOM 257 N SER A 20 10.044 7.664 0.806 1.00 0.00 N ATOM 258 CA SER A 20 9.488 7.462 2.133 1.00 0.00 C ATOM 259 C SER A 20 8.070 6.896 2.026 1.00 0.00 C ATOM 260 O SER A 20 7.674 6.049 2.825 1.00 0.00 O ATOM 261 CB SER A 20 9.479 8.767 2.931 1.00 0.00 C ATOM 262 OG SER A 20 10.745 9.035 3.529 1.00 0.00 O ATOM 0 H SER A 20 9.463 8.223 0.181 1.00 0.00 H new ATOM 0 HA SER A 20 10.119 6.748 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.207 9.592 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.716 8.712 3.707 1.00 0.00 H new ATOM 0 HG SER A 20 10.699 9.877 4.028 1.00 0.00 H new ATOM 268 N LEU A 21 7.345 7.386 1.031 1.00 0.00 N ATOM 269 CA LEU A 21 5.980 6.940 0.809 1.00 0.00 C ATOM 270 C LEU A 21 5.083 7.484 1.923 1.00 0.00 C ATOM 271 O LEU A 21 4.043 8.082 1.650 1.00 0.00 O ATOM 272 CB LEU A 21 5.931 5.417 0.669 1.00 0.00 C ATOM 273 CG LEU A 21 6.583 4.838 -0.588 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.879 5.338 -1.851 1.00 0.00 C ATOM 275 CD2 LEU A 21 8.084 5.135 -0.613 1.00 0.00 C ATOM 0 H LEU A 21 7.677 8.088 0.369 1.00 0.00 H new ATOM 0 HA LEU A 21 5.597 7.337 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.414 4.976 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.887 5.103 0.690 1.00 0.00 H new ATOM 0 HG LEU A 21 6.469 3.754 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.362 4.911 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.832 5.034 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.940 6.425 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.523 4.713 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.242 6.213 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.557 4.691 0.263 1.00 0.00 H new ATOM 287 N GLY A 22 5.518 7.257 3.154 1.00 0.00 N ATOM 288 CA GLY A 22 4.767 7.718 4.309 1.00 0.00 C ATOM 289 C GLY A 22 3.992 6.567 4.953 1.00 0.00 C ATOM 290 O GLY A 22 2.791 6.679 5.193 1.00 0.00 O ATOM 0 H GLY A 22 6.381 6.760 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.448 8.156 5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.074 8.504 4.007 1.00 0.00 H new ATOM 294 N PHE A 23 4.711 5.485 5.216 1.00 0.00 N ATOM 295 CA PHE A 23 4.106 4.314 5.828 1.00 0.00 C ATOM 296 C PHE A 23 5.131 3.191 5.994 1.00 0.00 C ATOM 297 O PHE A 23 6.258 3.298 5.512 1.00 0.00 O ATOM 298 CB PHE A 23 2.996 3.841 4.887 1.00 0.00 C ATOM 299 CG PHE A 23 3.492 2.980 3.723 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.416 3.475 2.857 1.00 0.00 C ATOM 301 CD2 PHE A 23 3.007 1.721 3.555 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.876 2.676 1.777 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.467 0.922 2.475 1.00 0.00 C ATOM 304 CZ PHE A 23 4.392 1.416 1.609 1.00 0.00 C ATOM 0 H PHE A 23 5.707 5.395 5.016 1.00 0.00 H new ATOM 0 HA PHE A 23 3.721 4.567 6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.265 3.272 5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.478 4.712 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.800 4.476 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.272 1.329 4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.610 3.069 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.082 -0.078 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.742 0.808 0.788 1.00 0.00 H new ATOM 314 N ASN A 24 4.704 2.139 6.677 1.00 0.00 N ATOM 315 CA ASN A 24 5.571 0.997 6.912 1.00 0.00 C ATOM 316 C ASN A 24 4.810 -0.290 6.587 1.00 0.00 C ATOM 317 O ASN A 24 3.580 -0.299 6.559 1.00 0.00 O ATOM 318 CB ASN A 24 6.008 0.930 8.376 1.00 0.00 C ATOM 319 CG ASN A 24 7.361 0.227 8.513 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.369 0.655 7.975 1.00 0.00 O ATOM 321 ND2 ASN A 24 7.326 -0.872 9.260 1.00 0.00 N ATOM 0 H ASN A 24 3.769 2.054 7.075 1.00 0.00 H new ATOM 0 HA ASN A 24 6.451 1.105 6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.075 1.938 8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.257 0.398 8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.177 -1.413 9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.448 -1.174 9.681 1.00 0.00 H new ATOM 328 N ILE A 25 5.574 -1.347 6.348 1.00 0.00 N ATOM 329 CA ILE A 25 4.987 -2.636 6.026 1.00 0.00 C ATOM 330 C ILE A 25 5.535 -3.695 6.985 1.00 0.00 C ATOM 331 O ILE A 25 6.584 -3.499 7.598 1.00 0.00 O ATOM 332 CB ILE A 25 5.208 -2.971 4.549 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.527 -2.382 4.044 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.017 -2.521 3.701 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.797 -2.802 2.598 1.00 0.00 C ATOM 0 H ILE A 25 6.594 -1.336 6.371 1.00 0.00 H new ATOM 0 HA ILE A 25 3.906 -2.608 6.165 1.00 0.00 H new ATOM 0 HB ILE A 25 5.282 -4.054 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.493 -1.295 4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.346 -2.715 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.199 -2.771 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.115 -3.028 4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.887 -1.443 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.740 -2.370 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.855 -3.889 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.989 -2.447 1.959 1.00 0.00 H new ATOM 347 N ILE A 26 4.801 -4.793 7.085 1.00 0.00 N ATOM 348 CA ILE A 26 5.201 -5.883 7.959 1.00 0.00 C ATOM 349 C ILE A 26 5.040 -7.212 7.218 1.00 0.00 C ATOM 350 O ILE A 26 4.297 -7.295 6.240 1.00 0.00 O ATOM 351 CB ILE A 26 4.432 -5.819 9.281 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.098 -6.563 9.175 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.246 -4.371 9.738 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.419 -6.666 10.542 1.00 0.00 C ATOM 0 H ILE A 26 3.932 -4.952 6.576 1.00 0.00 H new ATOM 0 HA ILE A 26 6.254 -5.791 8.224 1.00 0.00 H new ATOM 0 HB ILE A 26 5.023 -6.324 10.045 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.442 -6.043 8.477 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.265 -7.562 8.772 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.697 -4.354 10.679 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.222 -3.906 9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.687 -3.820 8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.474 -7.199 10.439 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.068 -7.207 11.231 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.231 -5.665 10.931 1.00 0.00 H new ATOM 366 N GLY A 27 5.747 -8.217 7.710 1.00 0.00 N ATOM 367 CA GLY A 27 5.692 -9.538 7.106 1.00 0.00 C ATOM 368 C GLY A 27 6.727 -9.672 5.987 1.00 0.00 C ATOM 369 O GLY A 27 6.584 -9.063 4.928 1.00 0.00 O ATOM 0 H GLY A 27 6.362 -8.144 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.873 -10.298 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.694 -9.718 6.707 1.00 0.00 H new ATOM 373 N GLY A 28 7.746 -10.474 6.260 1.00 0.00 N ATOM 374 CA GLY A 28 8.804 -10.696 5.289 1.00 0.00 C ATOM 375 C GLY A 28 9.960 -11.483 5.909 1.00 0.00 C ATOM 376 O GLY A 28 10.565 -11.041 6.885 1.00 0.00 O ATOM 0 H GLY A 28 7.861 -10.978 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.407 -11.240 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.169 -9.738 4.918 1.00 0.00 H new ATOM 380 N ARG A 29 10.233 -12.637 5.317 1.00 0.00 N ATOM 381 CA ARG A 29 11.306 -13.490 5.799 1.00 0.00 C ATOM 382 C ARG A 29 12.292 -13.793 4.668 1.00 0.00 C ATOM 383 O ARG A 29 11.926 -13.754 3.494 1.00 0.00 O ATOM 384 CB ARG A 29 10.757 -14.806 6.353 1.00 0.00 C ATOM 385 CG ARG A 29 9.999 -14.575 7.663 1.00 0.00 C ATOM 386 CD ARG A 29 8.801 -15.520 7.777 1.00 0.00 C ATOM 387 NE ARG A 29 8.712 -16.059 9.152 1.00 0.00 N ATOM 388 CZ ARG A 29 9.492 -17.040 9.627 1.00 0.00 C ATOM 389 NH1 ARG A 29 10.424 -17.594 8.840 1.00 0.00 N ATOM 390 NH2 ARG A 29 9.340 -17.466 10.888 1.00 0.00 N ATOM 0 H ARG A 29 9.730 -13.001 4.508 1.00 0.00 H new ATOM 0 HA ARG A 29 11.818 -12.957 6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.093 -15.264 5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.577 -15.504 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.670 -14.729 8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.657 -13.541 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.883 -14.989 7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.902 -16.337 7.063 1.00 0.00 H new ATOM 0 HE ARG A 29 8.013 -15.659 9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.540 -17.269 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.018 -18.341 9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.630 -17.044 11.487 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.934 -18.213 11.249 1.00 0.00 H new ATOM 404 N PRO A 30 13.555 -14.095 5.072 1.00 0.00 N ATOM 405 CA PRO A 30 14.595 -14.404 4.106 1.00 0.00 C ATOM 406 C PRO A 30 14.407 -15.809 3.528 1.00 0.00 C ATOM 407 O PRO A 30 15.089 -16.748 3.936 1.00 0.00 O ATOM 408 CB PRO A 30 15.900 -14.247 4.870 1.00 0.00 C ATOM 409 CG PRO A 30 15.531 -14.310 6.343 1.00 0.00 C ATOM 410 CD PRO A 30 14.024 -14.150 6.454 1.00 0.00 C ATOM 0 HA PRO A 30 14.573 -13.744 3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.603 -15.038 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 30 16.382 -13.300 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.847 -15.260 6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 30 16.040 -13.522 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.575 -14.985 6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.761 -13.243 6.998 1.00 0.00 H new ATOM 418 N SER A 31 13.479 -15.907 2.588 1.00 0.00 N ATOM 419 CA SER A 31 13.192 -17.181 1.950 1.00 0.00 C ATOM 420 C SER A 31 14.140 -17.399 0.769 1.00 0.00 C ATOM 421 O SER A 31 14.918 -16.512 0.421 1.00 0.00 O ATOM 422 CB SER A 31 11.737 -17.247 1.483 1.00 0.00 C ATOM 423 OG SER A 31 11.003 -18.261 2.164 1.00 0.00 O ATOM 0 H SER A 31 12.916 -15.125 2.253 1.00 0.00 H new ATOM 0 HA SER A 31 13.346 -17.974 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.259 -16.281 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.709 -17.438 0.410 1.00 0.00 H new ATOM 0 HG SER A 31 10.079 -18.270 1.839 1.00 0.00 H new ATOM 429 N VAL A 32 14.042 -18.584 0.184 1.00 0.00 N ATOM 430 CA VAL A 32 14.881 -18.930 -0.951 1.00 0.00 C ATOM 431 C VAL A 32 14.011 -19.524 -2.060 1.00 0.00 C ATOM 432 O VAL A 32 13.963 -18.992 -3.168 1.00 0.00 O ATOM 433 CB VAL A 32 16.004 -19.869 -0.505 1.00 0.00 C ATOM 434 CG1 VAL A 32 16.767 -20.422 -1.710 1.00 0.00 C ATOM 435 CG2 VAL A 32 16.952 -19.166 0.469 1.00 0.00 C ATOM 0 H VAL A 32 13.394 -19.316 0.475 1.00 0.00 H new ATOM 0 HA VAL A 32 15.362 -18.039 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 32 15.549 -20.710 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.559 -21.086 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.082 -20.977 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 32 17.204 -19.598 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 32 17.741 -19.855 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 32 17.396 -18.298 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.396 -18.844 1.349 1.00 0.00 H new ATOM 445 N ASP A 33 13.344 -20.618 -1.724 1.00 0.00 N ATOM 446 CA ASP A 33 12.478 -21.290 -2.678 1.00 0.00 C ATOM 447 C ASP A 33 11.500 -20.276 -3.273 1.00 0.00 C ATOM 448 O ASP A 33 11.154 -19.288 -2.627 1.00 0.00 O ATOM 449 CB ASP A 33 11.663 -22.393 -2.000 1.00 0.00 C ATOM 450 CG ASP A 33 12.276 -23.792 -2.077 1.00 0.00 C ATOM 451 OD1 ASP A 33 13.374 -23.963 -1.504 1.00 0.00 O ATOM 452 OD2 ASP A 33 11.635 -24.659 -2.709 1.00 0.00 O ATOM 0 H ASP A 33 13.386 -21.056 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 33 13.106 -21.731 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.527 -22.130 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.672 -22.422 -2.453 1.00 0.00 H new ATOM 457 N ASN A 34 11.081 -20.556 -4.499 1.00 0.00 N ATOM 458 CA ASN A 34 10.148 -19.680 -5.189 1.00 0.00 C ATOM 459 C ASN A 34 9.061 -20.525 -5.856 1.00 0.00 C ATOM 460 O ASN A 34 9.184 -21.746 -5.944 1.00 0.00 O ATOM 461 CB ASN A 34 10.855 -18.873 -6.279 1.00 0.00 C ATOM 462 CG ASN A 34 10.448 -17.399 -6.221 1.00 0.00 C ATOM 463 OD1 ASN A 34 10.358 -16.794 -5.165 1.00 0.00 O ATOM 464 ND2 ASN A 34 10.208 -16.857 -7.412 1.00 0.00 N ATOM 0 H ASN A 34 11.370 -21.376 -5.032 1.00 0.00 H new ATOM 0 HA ASN A 34 9.720 -18.997 -4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.935 -18.961 -6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.609 -19.284 -7.258 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.930 -15.878 -7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.302 -17.420 -8.257 1.00 0.00 H new ATOM 471 N HIS A 35 8.020 -19.841 -6.309 1.00 0.00 N ATOM 472 CA HIS A 35 6.912 -20.514 -6.966 1.00 0.00 C ATOM 473 C HIS A 35 6.341 -21.587 -6.038 1.00 0.00 C ATOM 474 O HIS A 35 6.613 -22.774 -6.213 1.00 0.00 O ATOM 475 CB HIS A 35 7.342 -21.072 -8.324 1.00 0.00 C ATOM 476 CG HIS A 35 6.257 -21.832 -9.047 1.00 0.00 C ATOM 477 ND1 HIS A 35 6.526 -22.784 -10.016 1.00 0.00 N ATOM 478 CD2 HIS A 35 4.899 -21.773 -8.932 1.00 0.00 C ATOM 479 CE1 HIS A 35 5.375 -23.268 -10.458 1.00 0.00 C ATOM 480 NE2 HIS A 35 4.368 -22.640 -9.786 1.00 0.00 N ATOM 0 H HIS A 35 7.921 -18.829 -6.234 1.00 0.00 H new ATOM 0 HA HIS A 35 6.116 -19.797 -7.169 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.676 -20.248 -8.955 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.198 -21.731 -8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.349 -21.130 -8.260 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.255 -24.027 -11.217 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.371 -22.809 -9.918 1.00 0.00 H new ATOM 488 N ASP A 36 5.559 -21.132 -5.070 1.00 0.00 N ATOM 489 CA ASP A 36 4.946 -22.039 -4.113 1.00 0.00 C ATOM 490 C ASP A 36 3.808 -21.317 -3.389 1.00 0.00 C ATOM 491 O ASP A 36 4.001 -20.227 -2.853 1.00 0.00 O ATOM 492 CB ASP A 36 5.960 -22.498 -3.063 1.00 0.00 C ATOM 493 CG ASP A 36 6.585 -23.870 -3.323 1.00 0.00 C ATOM 494 OD1 ASP A 36 5.835 -24.756 -3.785 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.799 -24.000 -3.054 1.00 0.00 O ATOM 0 H ASP A 36 5.335 -20.147 -4.927 1.00 0.00 H new ATOM 0 HA ASP A 36 4.575 -22.906 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.758 -21.758 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.469 -22.518 -2.090 1.00 0.00 H new ATOM 500 N GLY A 37 2.647 -21.955 -3.397 1.00 0.00 N ATOM 501 CA GLY A 37 1.477 -21.387 -2.747 1.00 0.00 C ATOM 502 C GLY A 37 1.605 -21.463 -1.224 1.00 0.00 C ATOM 503 O GLY A 37 1.703 -20.436 -0.554 1.00 0.00 O ATOM 0 H GLY A 37 2.491 -22.859 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.354 -20.348 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.583 -21.922 -3.068 1.00 0.00 H new ATOM 507 N SER A 38 1.599 -22.689 -0.723 1.00 0.00 N ATOM 508 CA SER A 38 1.713 -22.913 0.709 1.00 0.00 C ATOM 509 C SER A 38 2.861 -22.077 1.279 1.00 0.00 C ATOM 510 O SER A 38 3.952 -22.045 0.712 1.00 0.00 O ATOM 511 CB SER A 38 1.931 -24.395 1.019 1.00 0.00 C ATOM 512 OG SER A 38 0.722 -25.143 0.926 1.00 0.00 O ATOM 0 H SER A 38 1.517 -23.538 -1.282 1.00 0.00 H new ATOM 0 HA SER A 38 0.779 -22.605 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.666 -24.806 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.345 -24.499 2.022 1.00 0.00 H new ATOM 0 HG SER A 38 0.903 -26.084 1.129 1.00 0.00 H new ATOM 518 N SER A 39 2.575 -21.420 2.394 1.00 0.00 N ATOM 519 CA SER A 39 3.570 -20.587 3.047 1.00 0.00 C ATOM 520 C SER A 39 4.040 -19.487 2.092 1.00 0.00 C ATOM 521 O SER A 39 4.871 -19.732 1.219 1.00 0.00 O ATOM 522 CB SER A 39 4.760 -21.421 3.524 1.00 0.00 C ATOM 523 OG SER A 39 5.221 -21.008 4.808 1.00 0.00 O ATOM 0 H SER A 39 1.669 -21.448 2.861 1.00 0.00 H new ATOM 0 HA SER A 39 3.110 -20.127 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.474 -22.472 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.573 -21.338 2.803 1.00 0.00 H new ATOM 0 HG SER A 39 5.980 -21.566 5.078 1.00 0.00 H new ATOM 529 N SER A 40 3.488 -18.299 2.291 1.00 0.00 N ATOM 530 CA SER A 40 3.840 -17.162 1.458 1.00 0.00 C ATOM 531 C SER A 40 3.734 -15.868 2.268 1.00 0.00 C ATOM 532 O SER A 40 2.645 -15.485 2.691 1.00 0.00 O ATOM 533 CB SER A 40 2.946 -17.088 0.219 1.00 0.00 C ATOM 534 OG SER A 40 3.500 -17.802 -0.883 1.00 0.00 O ATOM 0 H SER A 40 2.800 -18.099 3.017 1.00 0.00 H new ATOM 0 HA SER A 40 4.869 -17.290 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.963 -17.494 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.801 -16.045 -0.061 1.00 0.00 H new ATOM 0 HG SER A 40 3.066 -18.677 -0.957 1.00 0.00 H new ATOM 540 N GLU A 41 4.880 -15.231 2.458 1.00 0.00 N ATOM 541 CA GLU A 41 4.929 -13.988 3.209 1.00 0.00 C ATOM 542 C GLU A 41 3.735 -13.102 2.849 1.00 0.00 C ATOM 543 O GLU A 41 3.130 -13.270 1.791 1.00 0.00 O ATOM 544 CB GLU A 41 6.249 -13.253 2.968 1.00 0.00 C ATOM 545 CG GLU A 41 6.587 -13.209 1.476 1.00 0.00 C ATOM 546 CD GLU A 41 7.570 -14.321 1.104 1.00 0.00 C ATOM 547 OE1 GLU A 41 8.688 -14.301 1.663 1.00 0.00 O ATOM 548 OE2 GLU A 41 7.181 -15.165 0.268 1.00 0.00 O ATOM 0 H GLU A 41 5.781 -15.552 2.105 1.00 0.00 H new ATOM 0 HA GLU A 41 4.872 -14.226 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.181 -12.238 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.052 -13.751 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.674 -13.314 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.017 -12.239 1.225 1.00 0.00 H new ATOM 555 N GLY A 42 3.431 -12.179 3.749 1.00 0.00 N ATOM 556 CA GLY A 42 2.319 -11.266 3.539 1.00 0.00 C ATOM 557 C GLY A 42 2.737 -9.821 3.817 1.00 0.00 C ATOM 558 O GLY A 42 3.437 -9.549 4.791 1.00 0.00 O ATOM 0 H GLY A 42 3.935 -12.043 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.960 -11.354 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.490 -11.541 4.191 1.00 0.00 H new ATOM 562 N ILE A 43 2.289 -8.931 2.943 1.00 0.00 N ATOM 563 CA ILE A 43 2.607 -7.520 3.082 1.00 0.00 C ATOM 564 C ILE A 43 1.411 -6.790 3.697 1.00 0.00 C ATOM 565 O ILE A 43 0.323 -6.783 3.124 1.00 0.00 O ATOM 566 CB ILE A 43 3.060 -6.938 1.742 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.122 -7.826 1.090 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.541 -5.495 1.905 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.206 -8.214 2.098 1.00 0.00 C ATOM 0 H ILE A 43 1.708 -9.160 2.136 1.00 0.00 H new ATOM 0 HA ILE A 43 3.448 -7.385 3.762 1.00 0.00 H new ATOM 0 HB ILE A 43 2.201 -6.917 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.654 -8.725 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.574 -7.301 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.857 -5.105 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.728 -4.882 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.381 -5.468 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.948 -8.845 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.689 -7.314 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.754 -8.760 2.926 1.00 0.00 H new ATOM 581 N PHE A 44 1.654 -6.193 4.854 1.00 0.00 N ATOM 582 CA PHE A 44 0.610 -5.462 5.553 1.00 0.00 C ATOM 583 C PHE A 44 1.151 -4.151 6.128 1.00 0.00 C ATOM 584 O PHE A 44 2.328 -4.058 6.471 1.00 0.00 O ATOM 585 CB PHE A 44 0.133 -6.352 6.702 1.00 0.00 C ATOM 586 CG PHE A 44 -0.638 -7.593 6.249 1.00 0.00 C ATOM 587 CD1 PHE A 44 0.036 -8.713 5.875 1.00 0.00 C ATOM 588 CD2 PHE A 44 -1.998 -7.576 6.220 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.680 -9.865 5.454 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.714 -8.728 5.800 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.040 -9.848 5.426 1.00 0.00 C ATOM 0 H PHE A 44 2.558 -6.200 5.325 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.200 -5.219 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.997 -6.667 7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.502 -5.764 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.116 -8.727 5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.533 -6.686 6.517 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.145 -10.755 5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.794 -8.715 5.778 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.584 -10.724 5.107 1.00 0.00 H new ATOM 601 N VAL A 45 0.264 -3.171 6.217 1.00 0.00 N ATOM 602 CA VAL A 45 0.637 -1.870 6.746 1.00 0.00 C ATOM 603 C VAL A 45 0.363 -1.838 8.250 1.00 0.00 C ATOM 604 O VAL A 45 -0.755 -2.108 8.687 1.00 0.00 O ATOM 605 CB VAL A 45 -0.095 -0.765 5.981 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.262 0.615 6.537 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.202 -0.846 4.482 1.00 0.00 C ATOM 0 H VAL A 45 -0.712 -3.252 5.932 1.00 0.00 H new ATOM 0 HA VAL A 45 1.703 -1.692 6.606 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.166 -0.915 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.271 1.382 5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.024 0.669 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.336 0.778 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.330 -0.050 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.274 -0.734 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.125 -1.812 4.098 1.00 0.00 H new ATOM 617 N SER A 46 1.402 -1.505 9.002 1.00 0.00 N ATOM 618 CA SER A 46 1.287 -1.434 10.449 1.00 0.00 C ATOM 619 C SER A 46 1.446 0.014 10.916 1.00 0.00 C ATOM 620 O SER A 46 0.938 0.389 11.972 1.00 0.00 O ATOM 621 CB SER A 46 2.326 -2.329 11.128 1.00 0.00 C ATOM 622 OG SER A 46 2.110 -2.425 12.533 1.00 0.00 O ATOM 0 H SER A 46 2.328 -1.281 8.636 1.00 0.00 H new ATOM 0 HA SER A 46 0.298 -1.793 10.732 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.291 -3.325 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.324 -1.933 10.941 1.00 0.00 H new ATOM 0 HG SER A 46 2.792 -3.006 12.930 1.00 0.00 H new ATOM 628 N LYS A 47 2.154 0.789 10.107 1.00 0.00 N ATOM 629 CA LYS A 47 2.387 2.187 10.425 1.00 0.00 C ATOM 630 C LYS A 47 1.976 3.052 9.231 1.00 0.00 C ATOM 631 O LYS A 47 2.012 2.597 8.089 1.00 0.00 O ATOM 632 CB LYS A 47 3.835 2.402 10.870 1.00 0.00 C ATOM 633 CG LYS A 47 4.048 3.832 11.370 1.00 0.00 C ATOM 634 CD LYS A 47 4.583 4.730 10.253 1.00 0.00 C ATOM 635 CE LYS A 47 4.978 6.105 10.796 1.00 0.00 C ATOM 636 NZ LYS A 47 6.348 6.068 11.354 1.00 0.00 N ATOM 0 H LYS A 47 2.574 0.475 9.232 1.00 0.00 H new ATOM 0 HA LYS A 47 1.770 2.493 11.270 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.085 1.695 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.509 2.200 10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.107 4.234 11.745 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.748 3.828 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.447 4.258 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.824 4.845 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.924 6.847 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.273 6.414 11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.600 7.009 11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.389 5.375 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.019 5.794 10.608 1.00 0.00 H new ATOM 650 N ILE A 48 1.594 4.283 9.537 1.00 0.00 N ATOM 651 CA ILE A 48 1.177 5.216 8.503 1.00 0.00 C ATOM 652 C ILE A 48 1.367 6.647 9.008 1.00 0.00 C ATOM 653 O ILE A 48 0.561 7.145 9.793 1.00 0.00 O ATOM 654 CB ILE A 48 -0.251 4.908 8.050 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.282 3.691 7.122 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.899 6.136 7.405 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.577 3.655 6.308 1.00 0.00 C ATOM 0 H ILE A 48 1.564 4.656 10.486 1.00 0.00 H new ATOM 0 HA ILE A 48 1.800 5.106 7.615 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.842 4.657 8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.574 3.721 6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.193 2.778 7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.914 5.890 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.930 6.952 8.127 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.315 6.441 6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.573 2.781 5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.430 3.601 6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.651 4.558 5.702 1.00 0.00 H new ATOM 669 N VAL A 49 2.437 7.270 8.536 1.00 0.00 N ATOM 670 CA VAL A 49 2.743 8.635 8.929 1.00 0.00 C ATOM 671 C VAL A 49 1.629 9.563 8.442 1.00 0.00 C ATOM 672 O VAL A 49 1.006 9.306 7.413 1.00 0.00 O ATOM 673 CB VAL A 49 4.124 9.033 8.405 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.066 9.382 6.916 1.00 0.00 C ATOM 675 CG2 VAL A 49 4.706 10.192 9.217 1.00 0.00 C ATOM 0 H VAL A 49 3.103 6.854 7.885 1.00 0.00 H new ATOM 0 HA VAL A 49 2.785 8.720 10.015 1.00 0.00 H new ATOM 0 HB VAL A 49 4.786 8.175 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.061 9.661 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.715 8.517 6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.381 10.216 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.688 10.455 8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.044 11.055 9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.802 9.893 10.261 1.00 0.00 H new ATOM 685 N ASP A 50 1.410 10.624 9.206 1.00 0.00 N ATOM 686 CA ASP A 50 0.381 11.592 8.866 1.00 0.00 C ATOM 687 C ASP A 50 0.888 12.493 7.739 1.00 0.00 C ATOM 688 O ASP A 50 0.370 12.451 6.624 1.00 0.00 O ATOM 689 CB ASP A 50 0.042 12.479 10.065 1.00 0.00 C ATOM 690 CG ASP A 50 -1.222 13.326 9.905 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.308 12.788 10.209 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.073 14.494 9.483 1.00 0.00 O ATOM 0 H ASP A 50 1.928 10.834 10.059 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.510 11.044 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.072 11.846 10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.885 13.143 10.256 1.00 0.00 H new ATOM 697 N SER A 51 1.895 13.289 8.068 1.00 0.00 N ATOM 698 CA SER A 51 2.478 14.199 7.097 1.00 0.00 C ATOM 699 C SER A 51 2.673 13.483 5.759 1.00 0.00 C ATOM 700 O SER A 51 2.308 14.011 4.710 1.00 0.00 O ATOM 701 CB SER A 51 3.811 14.760 7.598 1.00 0.00 C ATOM 702 OG SER A 51 4.141 15.995 6.968 1.00 0.00 O ATOM 0 H SER A 51 2.322 13.322 8.994 1.00 0.00 H new ATOM 0 HA SER A 51 1.792 15.035 6.958 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.760 14.906 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.603 14.035 7.411 1.00 0.00 H new ATOM 0 HG SER A 51 4.997 16.321 7.316 1.00 0.00 H new ATOM 708 N GLY A 52 3.248 12.292 5.840 1.00 0.00 N ATOM 709 CA GLY A 52 3.496 11.498 4.649 1.00 0.00 C ATOM 710 C GLY A 52 2.372 11.677 3.627 1.00 0.00 C ATOM 711 O GLY A 52 1.217 11.883 3.998 1.00 0.00 O ATOM 0 H GLY A 52 3.549 11.858 6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.447 11.791 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.581 10.446 4.920 1.00 0.00 H new ATOM 715 N PRO A 53 2.758 11.589 2.326 1.00 0.00 N ATOM 716 CA PRO A 53 1.796 11.738 1.248 1.00 0.00 C ATOM 717 C PRO A 53 0.927 10.486 1.111 1.00 0.00 C ATOM 718 O PRO A 53 -0.030 10.472 0.338 1.00 0.00 O ATOM 719 CB PRO A 53 2.632 12.019 0.010 1.00 0.00 C ATOM 720 CG PRO A 53 4.041 11.558 0.346 1.00 0.00 C ATOM 721 CD PRO A 53 4.116 11.345 1.849 1.00 0.00 C ATOM 0 HA PRO A 53 1.088 12.547 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.241 11.483 -0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.617 13.080 -0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.277 10.634 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.772 12.302 0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.445 10.334 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.827 12.030 2.311 1.00 0.00 H new ATOM 729 N ALA A 54 1.291 9.466 1.873 1.00 0.00 N ATOM 730 CA ALA A 54 0.557 8.212 1.846 1.00 0.00 C ATOM 731 C ALA A 54 -0.701 8.344 2.707 1.00 0.00 C ATOM 732 O ALA A 54 -1.725 7.729 2.415 1.00 0.00 O ATOM 733 CB ALA A 54 1.468 7.076 2.315 1.00 0.00 C ATOM 0 H ALA A 54 2.085 9.482 2.513 1.00 0.00 H new ATOM 0 HA ALA A 54 0.239 7.976 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.917 6.136 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.331 7.005 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.806 7.277 3.332 1.00 0.00 H new ATOM 739 N ALA A 55 -0.582 9.151 3.752 1.00 0.00 N ATOM 740 CA ALA A 55 -1.696 9.371 4.658 1.00 0.00 C ATOM 741 C ALA A 55 -2.491 10.593 4.193 1.00 0.00 C ATOM 742 O ALA A 55 -3.691 10.691 4.447 1.00 0.00 O ATOM 743 CB ALA A 55 -1.170 9.527 6.086 1.00 0.00 C ATOM 0 H ALA A 55 0.269 9.660 3.991 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.371 8.515 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.006 9.692 6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.638 8.622 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.491 10.378 6.133 1.00 0.00 H new ATOM 749 N LYS A 56 -1.791 11.494 3.520 1.00 0.00 N ATOM 750 CA LYS A 56 -2.417 12.705 3.017 1.00 0.00 C ATOM 751 C LYS A 56 -3.431 12.338 1.931 1.00 0.00 C ATOM 752 O LYS A 56 -4.629 12.255 2.198 1.00 0.00 O ATOM 753 CB LYS A 56 -1.355 13.704 2.554 1.00 0.00 C ATOM 754 CG LYS A 56 -1.173 14.825 3.579 1.00 0.00 C ATOM 755 CD LYS A 56 -2.277 15.875 3.446 1.00 0.00 C ATOM 756 CE LYS A 56 -1.934 16.898 2.361 1.00 0.00 C ATOM 757 NZ LYS A 56 -3.161 17.561 1.867 1.00 0.00 N ATOM 0 H LYS A 56 -0.796 11.410 3.311 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.969 13.206 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.407 13.188 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.645 14.129 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.183 14.407 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.200 15.296 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.221 15.386 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.416 16.384 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.246 17.644 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.423 16.403 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.910 18.252 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.804 16.848 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.633 18.050 2.655 1.00 0.00 H new ATOM 771 N GLU A 57 -2.913 12.126 0.730 1.00 0.00 N ATOM 772 CA GLU A 57 -3.758 11.770 -0.397 1.00 0.00 C ATOM 773 C GLU A 57 -3.690 10.263 -0.655 1.00 0.00 C ATOM 774 O GLU A 57 -4.630 9.679 -1.191 1.00 0.00 O ATOM 775 CB GLU A 57 -3.366 12.558 -1.648 1.00 0.00 C ATOM 776 CG GLU A 57 -1.855 12.497 -1.884 1.00 0.00 C ATOM 777 CD GLU A 57 -1.505 12.927 -3.310 1.00 0.00 C ATOM 778 OE1 GLU A 57 -2.321 12.628 -4.209 1.00 0.00 O ATOM 779 OE2 GLU A 57 -0.430 13.544 -3.468 1.00 0.00 O ATOM 0 H GLU A 57 -1.919 12.194 0.513 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.787 12.032 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.890 12.155 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.679 13.597 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.345 13.144 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.496 11.483 -1.708 1.00 0.00 H new ATOM 786 N GLY A 58 -2.569 9.677 -0.261 1.00 0.00 N ATOM 787 CA GLY A 58 -2.366 8.250 -0.443 1.00 0.00 C ATOM 788 C GLY A 58 -3.683 7.486 -0.293 1.00 0.00 C ATOM 789 O GLY A 58 -4.078 6.741 -1.189 1.00 0.00 O ATOM 0 H GLY A 58 -1.792 10.165 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.943 8.062 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.644 7.885 0.288 1.00 0.00 H new ATOM 793 N GLY A 59 -4.326 7.696 0.846 1.00 0.00 N ATOM 794 CA GLY A 59 -5.590 7.036 1.125 1.00 0.00 C ATOM 795 C GLY A 59 -5.366 5.691 1.818 1.00 0.00 C ATOM 796 O GLY A 59 -6.315 4.948 2.062 1.00 0.00 O ATOM 0 H GLY A 59 -3.995 8.314 1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.207 7.676 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.137 6.883 0.195 1.00 0.00 H new ATOM 800 N LEU A 60 -4.104 5.418 2.116 1.00 0.00 N ATOM 801 CA LEU A 60 -3.742 4.176 2.776 1.00 0.00 C ATOM 802 C LEU A 60 -4.335 4.162 4.187 1.00 0.00 C ATOM 803 O LEU A 60 -4.656 5.213 4.740 1.00 0.00 O ATOM 804 CB LEU A 60 -2.226 3.973 2.744 1.00 0.00 C ATOM 805 CG LEU A 60 -1.736 2.541 2.965 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.516 1.554 2.095 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.226 2.437 2.737 1.00 0.00 C ATOM 0 H LEU A 60 -3.319 6.037 1.912 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.165 3.324 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.853 4.318 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.778 4.611 3.506 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.924 2.272 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.148 0.543 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.575 1.604 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.382 1.811 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.097 1.409 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.009 2.733 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.293 3.095 3.433 1.00 0.00 H new ATOM 819 N GLN A 61 -4.462 2.959 4.729 1.00 0.00 N ATOM 820 CA GLN A 61 -5.010 2.795 6.064 1.00 0.00 C ATOM 821 C GLN A 61 -4.357 1.600 6.763 1.00 0.00 C ATOM 822 O GLN A 61 -4.391 0.482 6.250 1.00 0.00 O ATOM 823 CB GLN A 61 -6.531 2.638 6.017 1.00 0.00 C ATOM 824 CG GLN A 61 -7.204 3.501 7.087 1.00 0.00 C ATOM 825 CD GLN A 61 -8.720 3.548 6.879 1.00 0.00 C ATOM 826 OE1 GLN A 61 -9.336 4.600 6.849 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.283 2.352 6.738 1.00 0.00 N ATOM 0 H GLN A 61 -4.195 2.089 4.268 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.788 3.694 6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.899 2.922 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.797 1.592 6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.981 3.100 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.797 4.512 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.708 1.510 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.290 2.276 6.594 1.00 0.00 H new ATOM 836 N ILE A 62 -3.778 1.876 7.922 1.00 0.00 N ATOM 837 CA ILE A 62 -3.118 0.838 8.695 1.00 0.00 C ATOM 838 C ILE A 62 -3.950 -0.444 8.632 1.00 0.00 C ATOM 839 O ILE A 62 -5.160 -0.394 8.422 1.00 0.00 O ATOM 840 CB ILE A 62 -2.844 1.324 10.120 1.00 0.00 C ATOM 841 CG1 ILE A 62 -2.229 2.725 10.112 1.00 0.00 C ATOM 842 CG2 ILE A 62 -1.977 0.322 10.884 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.162 2.862 11.201 1.00 0.00 C ATOM 0 H ILE A 62 -3.752 2.804 8.345 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.142 0.607 8.269 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.796 1.393 10.647 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.786 2.926 9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.010 3.470 10.267 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.797 0.692 11.894 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.490 -0.638 10.935 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.025 0.197 10.368 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.741 3.867 11.173 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.613 2.684 12.177 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.371 2.132 11.029 1.00 0.00 H new ATOM 855 N HIS A 63 -3.266 -1.564 8.819 1.00 0.00 N ATOM 856 CA HIS A 63 -3.927 -2.858 8.786 1.00 0.00 C ATOM 857 C HIS A 63 -4.523 -3.095 7.397 1.00 0.00 C ATOM 858 O HIS A 63 -5.616 -3.646 7.272 1.00 0.00 O ATOM 859 CB HIS A 63 -4.966 -2.966 9.904 1.00 0.00 C ATOM 860 CG HIS A 63 -4.659 -2.115 11.113 1.00 0.00 C ATOM 861 ND1 HIS A 63 -5.454 -1.051 11.502 1.00 0.00 N ATOM 862 CD2 HIS A 63 -3.637 -2.182 12.014 1.00 0.00 C ATOM 863 CE1 HIS A 63 -4.925 -0.509 12.589 1.00 0.00 C ATOM 864 NE2 HIS A 63 -3.798 -1.211 12.904 1.00 0.00 N ATOM 0 H HIS A 63 -2.262 -1.602 8.994 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.198 -3.647 8.969 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.941 -2.679 9.509 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.042 -4.008 10.216 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.833 -2.903 12.005 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.317 0.339 13.131 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.181 -1.021 13.694 1.00 0.00 H new ATOM 872 N ASP A 64 -3.779 -2.667 6.388 1.00 0.00 N ATOM 873 CA ASP A 64 -4.220 -2.825 5.013 1.00 0.00 C ATOM 874 C ASP A 64 -3.235 -3.728 4.267 1.00 0.00 C ATOM 875 O ASP A 64 -2.034 -3.463 4.251 1.00 0.00 O ATOM 876 CB ASP A 64 -4.266 -1.478 4.290 1.00 0.00 C ATOM 877 CG ASP A 64 -5.618 -0.763 4.340 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.516 -1.295 5.027 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.723 0.299 3.689 1.00 0.00 O ATOM 0 H ASP A 64 -2.873 -2.211 6.495 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.219 -3.260 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.510 -0.824 4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.992 -1.633 3.246 1.00 0.00 H new ATOM 884 N ARG A 65 -3.781 -4.776 3.667 1.00 0.00 N ATOM 885 CA ARG A 65 -2.965 -5.720 2.922 1.00 0.00 C ATOM 886 C ARG A 65 -2.844 -5.278 1.462 1.00 0.00 C ATOM 887 O ARG A 65 -3.780 -5.439 0.681 1.00 0.00 O ATOM 888 CB ARG A 65 -3.564 -7.127 2.973 1.00 0.00 C ATOM 889 CG ARG A 65 -2.545 -8.174 2.520 1.00 0.00 C ATOM 890 CD ARG A 65 -3.244 -9.449 2.044 1.00 0.00 C ATOM 891 NE ARG A 65 -2.338 -10.225 1.168 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.575 -11.482 0.767 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.690 -12.112 1.161 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.697 -12.108 -0.028 1.00 0.00 N ATOM 0 H ARG A 65 -4.778 -4.992 3.682 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.978 -5.741 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.892 -7.350 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.447 -7.174 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.934 -7.767 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.871 -8.410 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.540 -10.053 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.156 -9.194 1.504 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.480 -9.775 0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.359 -11.635 1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.870 -13.068 0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.848 -11.628 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.877 -13.064 -0.333 1.00 0.00 H new ATOM 908 N ILE A 66 -1.682 -4.730 1.137 1.00 0.00 N ATOM 909 CA ILE A 66 -1.426 -4.264 -0.215 1.00 0.00 C ATOM 910 C ILE A 66 -1.614 -5.425 -1.194 1.00 0.00 C ATOM 911 O ILE A 66 -1.261 -6.563 -0.888 1.00 0.00 O ATOM 912 CB ILE A 66 -0.048 -3.604 -0.302 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.228 -2.747 0.936 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.094 -2.802 -1.597 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.263 -1.662 0.631 1.00 0.00 C ATOM 0 H ILE A 66 -0.907 -4.598 1.787 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.143 -3.492 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 66 0.707 -4.390 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.699 -2.285 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.587 -3.379 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.082 -2.343 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.030 -3.467 -2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.669 -2.024 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.441 -1.067 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.196 -2.128 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.890 -1.017 -0.165 1.00 0.00 H new ATOM 927 N ILE A 67 -2.170 -5.096 -2.351 1.00 0.00 N ATOM 928 CA ILE A 67 -2.409 -6.097 -3.377 1.00 0.00 C ATOM 929 C ILE A 67 -1.461 -5.854 -4.552 1.00 0.00 C ATOM 930 O ILE A 67 -0.804 -6.780 -5.027 1.00 0.00 O ATOM 931 CB ILE A 67 -3.887 -6.116 -3.773 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.779 -5.772 -2.578 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.268 -7.455 -4.406 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.901 -6.962 -1.624 1.00 0.00 C ATOM 0 H ILE A 67 -2.462 -4.151 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.192 -7.094 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.048 -5.346 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.365 -4.916 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.769 -5.481 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.323 -7.442 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.665 -7.620 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.087 -8.259 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.540 -6.691 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.337 -7.809 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.913 -7.235 -1.255 1.00 0.00 H new ATOM 946 N GLU A 68 -1.418 -4.603 -4.988 1.00 0.00 N ATOM 947 CA GLU A 68 -0.561 -4.226 -6.099 1.00 0.00 C ATOM 948 C GLU A 68 -0.026 -2.807 -5.899 1.00 0.00 C ATOM 949 O GLU A 68 -0.664 -1.986 -5.241 1.00 0.00 O ATOM 950 CB GLU A 68 -1.304 -4.350 -7.431 1.00 0.00 C ATOM 951 CG GLU A 68 -0.463 -5.110 -8.459 1.00 0.00 C ATOM 952 CD GLU A 68 -1.232 -6.309 -9.017 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.324 -7.316 -8.283 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.710 -6.191 -10.166 1.00 0.00 O ATOM 0 H GLU A 68 -1.963 -3.838 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 68 0.286 -4.911 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.251 -4.867 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.542 -3.357 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.185 -4.441 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.463 -5.451 -7.996 1.00 0.00 H new ATOM 961 N VAL A 69 1.140 -2.561 -6.478 1.00 0.00 N ATOM 962 CA VAL A 69 1.767 -1.255 -6.372 1.00 0.00 C ATOM 963 C VAL A 69 2.406 -0.890 -7.713 1.00 0.00 C ATOM 964 O VAL A 69 3.314 -1.576 -8.180 1.00 0.00 O ATOM 965 CB VAL A 69 2.766 -1.247 -5.213 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.184 -1.540 -5.708 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.714 0.080 -4.453 1.00 0.00 C ATOM 0 H VAL A 69 1.667 -3.244 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 69 1.022 -0.491 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 69 2.482 -2.040 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.874 -1.528 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.208 -2.521 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.482 -0.780 -6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.434 0.059 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.959 0.897 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.712 0.230 -4.051 1.00 0.00 H new ATOM 977 N ASN A 70 1.906 0.190 -8.296 1.00 0.00 N ATOM 978 CA ASN A 70 2.417 0.654 -9.575 1.00 0.00 C ATOM 979 C ASN A 70 2.296 -0.470 -10.606 1.00 0.00 C ATOM 980 O ASN A 70 2.950 -0.435 -11.647 1.00 0.00 O ATOM 981 CB ASN A 70 3.893 1.043 -9.470 1.00 0.00 C ATOM 982 CG ASN A 70 4.244 2.137 -10.481 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.277 1.922 -11.681 1.00 0.00 O ATOM 984 ND2 ASN A 70 4.505 3.319 -9.930 1.00 0.00 N ATOM 0 H ASN A 70 1.153 0.757 -7.906 1.00 0.00 H new ATOM 0 HA ASN A 70 1.835 1.526 -9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.110 1.392 -8.461 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.517 0.167 -9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.751 4.114 -10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.459 3.431 -8.917 1.00 0.00 H new ATOM 991 N GLY A 71 1.455 -1.441 -10.280 1.00 0.00 N ATOM 992 CA GLY A 71 1.241 -2.573 -11.165 1.00 0.00 C ATOM 993 C GLY A 71 2.030 -3.796 -10.692 1.00 0.00 C ATOM 994 O GLY A 71 1.931 -4.870 -11.284 1.00 0.00 O ATOM 0 H GLY A 71 0.914 -1.467 -9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.179 -2.814 -11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.545 -2.310 -12.178 1.00 0.00 H new ATOM 998 N ARG A 72 2.796 -3.591 -9.630 1.00 0.00 N ATOM 999 CA ARG A 72 3.602 -4.664 -9.071 1.00 0.00 C ATOM 1000 C ARG A 72 2.845 -5.361 -7.939 1.00 0.00 C ATOM 1001 O ARG A 72 2.380 -4.710 -7.005 1.00 0.00 O ATOM 1002 CB ARG A 72 4.931 -4.131 -8.534 1.00 0.00 C ATOM 1003 CG ARG A 72 6.114 -4.847 -9.189 1.00 0.00 C ATOM 1004 CD ARG A 72 7.215 -5.135 -8.167 1.00 0.00 C ATOM 1005 NE ARG A 72 8.347 -5.826 -8.823 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.235 -5.221 -9.624 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.127 -3.908 -9.872 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.230 -5.927 -10.177 1.00 0.00 N ATOM 0 H ARG A 72 2.876 -2.699 -9.142 1.00 0.00 H new ATOM 0 HA ARG A 72 3.806 -5.377 -9.870 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.000 -3.060 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.972 -4.268 -7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.775 -5.781 -9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.514 -4.233 -9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.558 -4.203 -7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.821 -5.752 -7.359 1.00 0.00 H new ATOM 0 HE ARG A 72 8.459 -6.826 -8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.369 -3.370 -9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.802 -3.447 -10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.312 -6.926 -9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.905 -5.466 -10.786 1.00 0.00 H new ATOM 1022 N ASP A 73 2.745 -6.677 -8.060 1.00 0.00 N ATOM 1023 CA ASP A 73 2.053 -7.470 -7.059 1.00 0.00 C ATOM 1024 C ASP A 73 2.980 -7.697 -5.864 1.00 0.00 C ATOM 1025 O ASP A 73 4.156 -8.017 -6.038 1.00 0.00 O ATOM 1026 CB ASP A 73 1.657 -8.839 -7.617 1.00 0.00 C ATOM 1027 CG ASP A 73 0.538 -9.549 -6.854 1.00 0.00 C ATOM 1028 OD1 ASP A 73 0.875 -10.254 -5.878 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -0.630 -9.372 -7.263 1.00 0.00 O ATOM 0 H ASP A 73 3.132 -7.214 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 73 1.155 -6.928 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.347 -8.716 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.538 -9.481 -7.621 1.00 0.00 H new ATOM 1034 N LEU A 74 2.418 -7.523 -4.677 1.00 0.00 N ATOM 1035 CA LEU A 74 3.180 -7.705 -3.453 1.00 0.00 C ATOM 1036 C LEU A 74 2.373 -8.564 -2.478 1.00 0.00 C ATOM 1037 O LEU A 74 2.747 -8.706 -1.315 1.00 0.00 O ATOM 1038 CB LEU A 74 3.601 -6.352 -2.878 1.00 0.00 C ATOM 1039 CG LEU A 74 4.099 -5.318 -3.891 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.276 -3.948 -3.234 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.382 -5.795 -4.575 1.00 0.00 C ATOM 0 H LEU A 74 1.443 -7.258 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 74 4.107 -8.240 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.752 -5.927 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.389 -6.521 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 74 3.342 -5.208 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.631 -3.232 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.320 -3.611 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.003 -4.023 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.715 -5.042 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.158 -5.951 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.189 -6.732 -5.098 1.00 0.00 H new ATOM 1053 N SER A 75 1.280 -9.114 -2.987 1.00 0.00 N ATOM 1054 CA SER A 75 0.417 -9.954 -2.175 1.00 0.00 C ATOM 1055 C SER A 75 1.198 -11.166 -1.663 1.00 0.00 C ATOM 1056 O SER A 75 1.039 -11.571 -0.512 1.00 0.00 O ATOM 1057 CB SER A 75 -0.811 -10.410 -2.967 1.00 0.00 C ATOM 1058 OG SER A 75 -0.455 -11.217 -4.086 1.00 0.00 O ATOM 0 H SER A 75 0.973 -8.994 -3.952 1.00 0.00 H new ATOM 0 HA SER A 75 0.070 -9.367 -1.324 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.477 -10.972 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.365 -9.537 -3.311 1.00 0.00 H new ATOM 0 HG SER A 75 -0.185 -10.641 -4.832 1.00 0.00 H new ATOM 1064 N ARG A 76 2.026 -11.711 -2.542 1.00 0.00 N ATOM 1065 CA ARG A 76 2.832 -12.869 -2.193 1.00 0.00 C ATOM 1066 C ARG A 76 4.315 -12.491 -2.157 1.00 0.00 C ATOM 1067 O ARG A 76 5.182 -13.358 -2.257 1.00 0.00 O ATOM 1068 CB ARG A 76 2.627 -14.006 -3.196 1.00 0.00 C ATOM 1069 CG ARG A 76 2.815 -13.511 -4.632 1.00 0.00 C ATOM 1070 CD ARG A 76 3.069 -14.680 -5.586 1.00 0.00 C ATOM 1071 NE ARG A 76 1.866 -14.930 -6.411 1.00 0.00 N ATOM 1072 CZ ARG A 76 0.815 -15.656 -6.005 1.00 0.00 C ATOM 1073 NH1 ARG A 76 0.811 -16.206 -4.784 1.00 0.00 N ATOM 1074 NH2 ARG A 76 -0.234 -15.830 -6.822 1.00 0.00 N ATOM 0 H ARG A 76 2.156 -11.372 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 76 2.515 -13.209 -1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.333 -14.810 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.627 -14.423 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.928 -12.963 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.652 -12.814 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.921 -14.457 -6.228 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.323 -15.575 -5.018 1.00 0.00 H new ATOM 0 HE ARG A 76 1.835 -14.525 -7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.608 -16.073 -4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.011 -16.758 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.232 -15.410 -7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.034 -16.382 -6.514 1.00 0.00 H new ATOM 1088 N ALA A 77 4.560 -11.197 -2.013 1.00 0.00 N ATOM 1089 CA ALA A 77 5.922 -10.694 -1.963 1.00 0.00 C ATOM 1090 C ALA A 77 6.350 -10.541 -0.502 1.00 0.00 C ATOM 1091 O ALA A 77 5.561 -10.787 0.409 1.00 0.00 O ATOM 1092 CB ALA A 77 6.010 -9.378 -2.737 1.00 0.00 C ATOM 0 H ALA A 77 3.838 -10.481 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 77 6.608 -11.396 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.032 -9.001 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.724 -9.547 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.337 -8.647 -2.289 1.00 0.00 H new ATOM 1098 N THR A 78 7.599 -10.135 -0.324 1.00 0.00 N ATOM 1099 CA THR A 78 8.141 -9.946 1.011 1.00 0.00 C ATOM 1100 C THR A 78 8.470 -8.471 1.249 1.00 0.00 C ATOM 1101 O THR A 78 8.544 -7.687 0.303 1.00 0.00 O ATOM 1102 CB THR A 78 9.351 -10.870 1.165 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.861 -10.561 2.459 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.494 -10.502 0.216 1.00 0.00 C ATOM 0 H THR A 78 8.251 -9.932 -1.082 1.00 0.00 H new ATOM 0 HA THR A 78 7.411 -10.212 1.775 1.00 0.00 H new ATOM 0 HB THR A 78 9.046 -11.901 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.647 -11.117 2.642 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.327 -11.189 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.148 -10.572 -0.815 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.822 -9.483 0.420 1.00 0.00 H new ATOM 1112 N HIS A 79 8.658 -8.137 2.517 1.00 0.00 N ATOM 1113 CA HIS A 79 8.976 -6.769 2.891 1.00 0.00 C ATOM 1114 C HIS A 79 10.123 -6.253 2.021 1.00 0.00 C ATOM 1115 O HIS A 79 10.156 -5.076 1.664 1.00 0.00 O ATOM 1116 CB HIS A 79 9.277 -6.672 4.388 1.00 0.00 C ATOM 1117 CG HIS A 79 9.630 -5.279 4.854 1.00 0.00 C ATOM 1118 ND1 HIS A 79 10.899 -4.744 4.722 1.00 0.00 N ATOM 1119 CD2 HIS A 79 8.867 -4.319 5.451 1.00 0.00 C ATOM 1120 CE1 HIS A 79 10.889 -3.516 5.221 1.00 0.00 C ATOM 1121 NE2 HIS A 79 9.629 -3.256 5.673 1.00 0.00 N ATOM 0 H HIS A 79 8.596 -8.790 3.298 1.00 0.00 H new ATOM 0 HA HIS A 79 8.113 -6.128 2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.409 -7.022 4.946 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.101 -7.344 4.627 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.820 -4.409 5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.731 -2.840 5.262 1.00 0.00 H new ATOM 0 HE2 HIS A 79 9.323 -2.387 6.110 1.00 0.00 H new ATOM 1129 N ASP A 80 11.037 -7.158 1.704 1.00 0.00 N ATOM 1130 CA ASP A 80 12.183 -6.809 0.882 1.00 0.00 C ATOM 1131 C ASP A 80 11.699 -6.382 -0.505 1.00 0.00 C ATOM 1132 O ASP A 80 12.065 -5.313 -0.992 1.00 0.00 O ATOM 1133 CB ASP A 80 13.121 -8.006 0.708 1.00 0.00 C ATOM 1134 CG ASP A 80 14.557 -7.776 1.183 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.718 -7.500 2.391 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.462 -7.882 0.326 1.00 0.00 O ATOM 0 H ASP A 80 11.007 -8.133 2.002 1.00 0.00 H new ATOM 0 HA ASP A 80 12.719 -6.000 1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.706 -8.855 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.143 -8.281 -0.346 1.00 0.00 H new ATOM 1141 N GLN A 81 10.884 -7.239 -1.103 1.00 0.00 N ATOM 1142 CA GLN A 81 10.347 -6.963 -2.424 1.00 0.00 C ATOM 1143 C GLN A 81 9.402 -5.761 -2.372 1.00 0.00 C ATOM 1144 O GLN A 81 9.501 -4.853 -3.196 1.00 0.00 O ATOM 1145 CB GLN A 81 9.639 -8.193 -2.995 1.00 0.00 C ATOM 1146 CG GLN A 81 10.645 -9.289 -3.352 1.00 0.00 C ATOM 1147 CD GLN A 81 9.972 -10.417 -4.137 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.051 -10.207 -4.909 1.00 0.00 O ATOM 1149 NE2 GLN A 81 10.482 -11.622 -3.898 1.00 0.00 N ATOM 0 H GLN A 81 10.583 -8.125 -0.697 1.00 0.00 H new ATOM 0 HA GLN A 81 11.176 -6.720 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.923 -8.575 -2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.072 -7.911 -3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.457 -8.864 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.090 -9.690 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.253 -11.728 -3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.102 -12.440 -4.374 1.00 0.00 H new ATOM 1158 N ALA A 82 8.506 -5.794 -1.397 1.00 0.00 N ATOM 1159 CA ALA A 82 7.544 -4.719 -1.227 1.00 0.00 C ATOM 1160 C ALA A 82 8.282 -3.379 -1.207 1.00 0.00 C ATOM 1161 O ALA A 82 7.969 -2.482 -1.989 1.00 0.00 O ATOM 1162 CB ALA A 82 6.732 -4.956 0.048 1.00 0.00 C ATOM 0 H ALA A 82 8.426 -6.549 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 82 6.842 -4.697 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.010 -4.149 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.204 -5.906 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.403 -4.982 0.907 1.00 0.00 H new ATOM 1168 N VAL A 83 9.247 -3.284 -0.304 1.00 0.00 N ATOM 1169 CA VAL A 83 10.032 -2.068 -0.172 1.00 0.00 C ATOM 1170 C VAL A 83 10.604 -1.685 -1.539 1.00 0.00 C ATOM 1171 O VAL A 83 10.395 -0.569 -2.012 1.00 0.00 O ATOM 1172 CB VAL A 83 11.111 -2.255 0.896 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.168 -1.153 0.807 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.493 -2.312 2.295 1.00 0.00 C ATOM 0 H VAL A 83 9.503 -4.029 0.343 1.00 0.00 H new ATOM 0 HA VAL A 83 9.404 -1.242 0.161 1.00 0.00 H new ATOM 0 HB VAL A 83 11.606 -3.208 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.923 -1.310 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.640 -1.180 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.695 -0.182 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.281 -2.445 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.960 -1.383 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.797 -3.149 2.351 1.00 0.00 H new ATOM 1184 N GLU A 84 11.314 -2.632 -2.134 1.00 0.00 N ATOM 1185 CA GLU A 84 11.918 -2.407 -3.436 1.00 0.00 C ATOM 1186 C GLU A 84 10.875 -1.873 -4.420 1.00 0.00 C ATOM 1187 O GLU A 84 11.130 -0.908 -5.139 1.00 0.00 O ATOM 1188 CB GLU A 84 12.568 -3.686 -3.967 1.00 0.00 C ATOM 1189 CG GLU A 84 13.133 -3.471 -5.373 1.00 0.00 C ATOM 1190 CD GLU A 84 14.297 -4.427 -5.648 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.009 -5.553 -6.108 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.447 -4.009 -5.392 1.00 0.00 O ATOM 0 H GLU A 84 11.485 -3.557 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 84 12.702 -1.658 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.367 -3.999 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.833 -4.491 -3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.347 -3.627 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.471 -2.440 -5.479 1.00 0.00 H new ATOM 1199 N ALA A 85 9.721 -2.524 -4.420 1.00 0.00 N ATOM 1200 CA ALA A 85 8.638 -2.127 -5.304 1.00 0.00 C ATOM 1201 C ALA A 85 8.340 -0.640 -5.103 1.00 0.00 C ATOM 1202 O ALA A 85 8.319 0.128 -6.063 1.00 0.00 O ATOM 1203 CB ALA A 85 7.414 -3.007 -5.040 1.00 0.00 C ATOM 0 H ALA A 85 9.512 -3.324 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 85 8.923 -2.269 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.602 -2.709 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.669 -4.050 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.098 -2.889 -4.004 1.00 0.00 H new ATOM 1209 N PHE A 86 8.118 -0.278 -3.847 1.00 0.00 N ATOM 1210 CA PHE A 86 7.823 1.103 -3.508 1.00 0.00 C ATOM 1211 C PHE A 86 9.037 2.001 -3.757 1.00 0.00 C ATOM 1212 O PHE A 86 8.890 3.198 -3.997 1.00 0.00 O ATOM 1213 CB PHE A 86 7.478 1.134 -2.018 1.00 0.00 C ATOM 1214 CG PHE A 86 6.023 0.777 -1.708 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.035 1.679 -1.951 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.717 -0.443 -1.190 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.684 1.348 -1.664 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.367 -0.774 -0.903 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.379 0.128 -1.146 1.00 0.00 C ATOM 0 H PHE A 86 8.137 -0.918 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 86 7.002 1.469 -4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.132 0.440 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.688 2.130 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.278 2.648 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.501 -1.160 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.899 2.065 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.124 -1.743 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.352 -0.124 -0.928 1.00 0.00 H new ATOM 1229 N LYS A 87 10.210 1.387 -3.691 1.00 0.00 N ATOM 1230 CA LYS A 87 11.449 2.115 -3.906 1.00 0.00 C ATOM 1231 C LYS A 87 11.626 2.380 -5.402 1.00 0.00 C ATOM 1232 O LYS A 87 12.028 3.472 -5.799 1.00 0.00 O ATOM 1233 CB LYS A 87 12.625 1.372 -3.269 1.00 0.00 C ATOM 1234 CG LYS A 87 13.958 1.876 -3.824 1.00 0.00 C ATOM 1235 CD LYS A 87 15.136 1.260 -3.067 1.00 0.00 C ATOM 1236 CE LYS A 87 15.387 1.997 -1.750 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.823 1.949 -1.395 1.00 0.00 N ATOM 0 H LYS A 87 10.328 0.394 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 87 11.411 3.086 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.603 1.508 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.529 0.303 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.032 1.628 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.000 2.962 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.934 0.208 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.032 1.300 -3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.063 3.034 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.794 1.545 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.976 2.454 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.122 0.958 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.382 2.401 -2.147 1.00 0.00 H new ATOM 1251 N THR A 88 11.319 1.361 -6.191 1.00 0.00 N ATOM 1252 CA THR A 88 11.439 1.470 -7.635 1.00 0.00 C ATOM 1253 C THR A 88 10.146 2.021 -8.238 1.00 0.00 C ATOM 1254 O THR A 88 10.113 2.395 -9.410 1.00 0.00 O ATOM 1255 CB THR A 88 11.828 0.095 -8.182 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.901 -0.797 -7.569 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.191 -0.375 -7.671 1.00 0.00 C ATOM 0 H THR A 88 10.987 0.456 -5.858 1.00 0.00 H new ATOM 0 HA THR A 88 12.218 2.179 -7.915 1.00 0.00 H new ATOM 0 HB THR A 88 11.841 0.129 -9.271 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.285 -1.148 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.418 -1.355 -8.090 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.959 0.336 -7.976 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.169 -0.441 -6.583 1.00 0.00 H new ATOM 1265 N ALA A 89 9.111 2.053 -7.411 1.00 0.00 N ATOM 1266 CA ALA A 89 7.818 2.552 -7.848 1.00 0.00 C ATOM 1267 C ALA A 89 7.972 3.992 -8.341 1.00 0.00 C ATOM 1268 O ALA A 89 8.845 4.722 -7.874 1.00 0.00 O ATOM 1269 CB ALA A 89 6.811 2.432 -6.703 1.00 0.00 C ATOM 0 H ALA A 89 9.142 1.741 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 89 7.438 1.958 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.841 2.806 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.716 1.386 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.157 3.018 -5.851 1.00 0.00 H new ATOM 1275 N LYS A 90 7.111 4.357 -9.280 1.00 0.00 N ATOM 1276 CA LYS A 90 7.140 5.697 -9.841 1.00 0.00 C ATOM 1277 C LYS A 90 5.808 6.394 -9.557 1.00 0.00 C ATOM 1278 O LYS A 90 4.779 5.737 -9.409 1.00 0.00 O ATOM 1279 CB LYS A 90 7.503 5.647 -11.327 1.00 0.00 C ATOM 1280 CG LYS A 90 9.013 5.799 -11.528 1.00 0.00 C ATOM 1281 CD LYS A 90 9.505 7.146 -10.994 1.00 0.00 C ATOM 1282 CE LYS A 90 10.087 8.002 -12.120 1.00 0.00 C ATOM 1283 NZ LYS A 90 9.097 9.004 -12.575 1.00 0.00 N ATOM 0 H LYS A 90 6.389 3.748 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 90 7.919 6.292 -9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.169 4.702 -11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.980 6.441 -11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.535 4.989 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.253 5.715 -12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.680 7.676 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.263 6.983 -10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.989 8.505 -11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.379 7.365 -12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.509 9.576 -13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.247 8.518 -12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.839 9.623 -11.780 1.00 0.00 H new ATOM 1297 N GLU A 91 5.871 7.715 -9.488 1.00 0.00 N ATOM 1298 CA GLU A 91 4.683 8.509 -9.223 1.00 0.00 C ATOM 1299 C GLU A 91 4.020 8.926 -10.538 1.00 0.00 C ATOM 1300 O GLU A 91 4.704 9.274 -11.499 1.00 0.00 O ATOM 1301 CB GLU A 91 5.019 9.731 -8.367 1.00 0.00 C ATOM 1302 CG GLU A 91 6.164 9.424 -7.399 1.00 0.00 C ATOM 1303 CD GLU A 91 7.470 10.064 -7.874 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.431 11.277 -8.174 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.477 9.327 -7.925 1.00 0.00 O ATOM 0 H GLU A 91 6.727 8.256 -9.611 1.00 0.00 H new ATOM 0 HA GLU A 91 3.978 7.896 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.296 10.566 -9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.137 10.040 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.914 9.795 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.294 8.345 -7.314 1.00 0.00 H new ATOM 1312 N PRO A 92 2.661 8.875 -10.537 1.00 0.00 N ATOM 1313 CA PRO A 92 1.928 8.451 -9.356 1.00 0.00 C ATOM 1314 C PRO A 92 2.019 6.935 -9.169 1.00 0.00 C ATOM 1315 O PRO A 92 2.015 6.185 -10.144 1.00 0.00 O ATOM 1316 CB PRO A 92 0.506 8.938 -9.580 1.00 0.00 C ATOM 1317 CG PRO A 92 0.386 9.204 -11.072 1.00 0.00 C ATOM 1318 CD PRO A 92 1.789 9.219 -11.657 1.00 0.00 C ATOM 0 HA PRO A 92 2.337 8.867 -8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.218 8.190 -9.257 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.308 9.843 -9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.219 8.433 -11.550 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.112 10.157 -11.251 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.887 8.500 -12.470 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.037 10.198 -12.066 1.00 0.00 H new ATOM 1326 N ILE A 93 2.099 6.530 -7.910 1.00 0.00 N ATOM 1327 CA ILE A 93 2.190 5.118 -7.583 1.00 0.00 C ATOM 1328 C ILE A 93 0.794 4.580 -7.265 1.00 0.00 C ATOM 1329 O ILE A 93 0.201 4.943 -6.250 1.00 0.00 O ATOM 1330 CB ILE A 93 3.206 4.892 -6.462 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.543 5.560 -6.790 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.369 3.401 -6.161 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.313 5.903 -5.513 1.00 0.00 C ATOM 0 H ILE A 93 2.103 7.156 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 93 2.562 4.553 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 93 2.824 5.363 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.142 4.896 -7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.368 6.467 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.097 3.269 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.410 2.985 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.716 2.885 -7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.259 6.377 -5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.721 6.586 -4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.508 4.991 -4.949 1.00 0.00 H new ATOM 1345 N VAL A 94 0.307 3.725 -8.152 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.009 3.134 -7.979 1.00 0.00 C ATOM 1347 C VAL A 94 -0.901 1.921 -7.053 1.00 0.00 C ATOM 1348 O VAL A 94 -0.293 0.913 -7.412 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.613 2.793 -9.342 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -1.216 1.382 -9.781 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -3.135 2.954 -9.323 1.00 0.00 C ATOM 0 H VAL A 94 0.801 3.427 -8.993 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.687 3.845 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.211 3.496 -10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.659 1.165 -10.753 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.130 1.316 -9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.575 0.659 -9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.539 2.705 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.562 2.286 -8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.389 3.985 -9.077 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.499 2.057 -5.879 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.478 0.985 -4.899 1.00 0.00 C ATOM 1363 C VAL A 95 -2.911 0.529 -4.616 1.00 0.00 C ATOM 1364 O VAL A 95 -3.848 1.320 -4.711 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.737 1.441 -3.640 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.124 0.311 -3.071 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.108 2.685 -3.922 1.00 0.00 C ATOM 0 H VAL A 95 -2.002 2.894 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.934 0.124 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.482 1.705 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.640 0.661 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.511 -0.537 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.858 0.002 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.624 2.988 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.841 2.459 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.538 3.495 -4.260 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.036 -0.745 -4.276 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.339 -1.316 -3.979 1.00 0.00 C ATOM 1379 C GLN A 96 -4.275 -2.147 -2.696 1.00 0.00 C ATOM 1380 O GLN A 96 -3.329 -2.906 -2.490 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.849 -2.156 -5.151 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.093 -2.954 -4.754 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.256 -2.668 -5.706 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.127 -1.857 -5.437 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.221 -3.376 -6.831 1.00 0.00 N ATOM 0 H GLN A 96 -2.256 -1.398 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.045 -0.500 -3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.083 -1.506 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.066 -2.838 -5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.864 -4.020 -4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.382 -2.700 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.463 -4.038 -6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.953 -3.257 -7.532 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.293 -1.975 -1.866 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.365 -2.699 -0.608 1.00 0.00 C ATOM 1396 C VAL A 97 -6.722 -3.398 -0.504 1.00 0.00 C ATOM 1397 O VAL A 97 -7.640 -3.095 -1.263 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.090 -1.750 0.559 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.641 -1.259 0.537 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.067 -0.573 0.551 1.00 0.00 C ATOM 0 H VAL A 97 -6.076 -1.344 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.597 -3.472 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.242 -2.305 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.472 -0.586 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.967 -2.112 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.451 -0.729 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.849 0.086 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.962 -0.019 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.087 -0.946 0.638 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.804 -4.321 0.443 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.034 -5.066 0.657 1.00 0.00 C ATOM 1412 C LEU A 98 -8.727 -4.546 1.918 1.00 0.00 C ATOM 1413 O LEU A 98 -8.338 -4.893 3.032 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.751 -6.569 0.686 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.178 -7.356 -0.555 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.999 -6.519 -1.823 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.436 -8.691 -0.640 1.00 0.00 C ATOM 0 H LEU A 98 -6.039 -4.570 1.071 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.723 -4.911 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.681 -6.714 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.253 -6.997 1.554 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.240 -7.583 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.310 -7.102 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.609 -5.618 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.951 -6.240 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.758 -9.230 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.363 -8.508 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.658 -9.287 0.245 1.00 0.00 H new ATOM 1429 N ARG A 99 -9.741 -3.722 1.700 1.00 0.00 N ATOM 1430 CA ARG A 99 -10.492 -3.151 2.805 1.00 0.00 C ATOM 1431 C ARG A 99 -11.792 -3.929 3.022 1.00 0.00 C ATOM 1432 O ARG A 99 -12.471 -4.290 2.063 1.00 0.00 O ATOM 1433 CB ARG A 99 -10.825 -1.680 2.543 1.00 0.00 C ATOM 1434 CG ARG A 99 -9.576 -0.903 2.120 1.00 0.00 C ATOM 1435 CD ARG A 99 -8.744 -0.497 3.338 1.00 0.00 C ATOM 1436 NE ARG A 99 -8.951 0.938 3.636 1.00 0.00 N ATOM 1437 CZ ARG A 99 -8.716 1.928 2.763 1.00 0.00 C ATOM 1438 NH1 ARG A 99 -8.266 1.644 1.534 1.00 0.00 N ATOM 1439 NH2 ARG A 99 -8.932 3.201 3.121 1.00 0.00 N ATOM 0 H ARG A 99 -10.060 -3.436 0.774 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.870 -3.218 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.584 -1.608 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.249 -1.233 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.972 -1.515 1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.868 -0.013 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.028 -1.101 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.688 -0.689 3.148 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.294 1.189 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.102 0.675 1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.087 2.397 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.275 3.416 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.753 3.955 2.457 1.00 0.00 H new ATOM 1453 N ARG A 100 -12.098 -4.164 4.290 1.00 0.00 N ATOM 1454 CA ARG A 100 -13.304 -4.893 4.645 1.00 0.00 C ATOM 1455 C ARG A 100 -14.543 -4.050 4.339 1.00 0.00 C ATOM 1456 O ARG A 100 -15.424 -4.481 3.596 1.00 0.00 O ATOM 1457 CB ARG A 100 -13.304 -5.267 6.129 1.00 0.00 C ATOM 1458 CG ARG A 100 -12.161 -6.233 6.450 1.00 0.00 C ATOM 1459 CD ARG A 100 -11.352 -5.743 7.653 1.00 0.00 C ATOM 1460 NE ARG A 100 -10.340 -4.756 7.214 1.00 0.00 N ATOM 1461 CZ ARG A 100 -9.727 -3.893 8.035 1.00 0.00 C ATOM 1462 NH1 ARG A 100 -10.020 -3.888 9.343 1.00 0.00 N ATOM 1463 NH2 ARG A 100 -8.822 -3.033 7.549 1.00 0.00 N ATOM 0 H ARG A 100 -11.532 -3.863 5.083 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.326 -5.807 4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.205 -4.366 6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -14.257 -5.725 6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -12.565 -7.224 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.508 -6.330 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.017 -5.292 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.862 -6.586 8.140 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.094 -4.731 6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.710 -4.541 9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.553 -3.231 9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.600 -3.035 6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.355 -2.376 8.174 1.00 0.00 H new ATOM 1477 N THR A 101 -14.572 -2.863 4.927 1.00 0.00 N ATOM 1478 CA THR A 101 -15.689 -1.956 4.726 1.00 0.00 C ATOM 1479 C THR A 101 -15.331 -0.552 5.218 1.00 0.00 C ATOM 1480 O THR A 101 -14.399 -0.384 6.003 1.00 0.00 O ATOM 1481 CB THR A 101 -16.913 -2.551 5.425 1.00 0.00 C ATOM 1482 OG1 THR A 101 -17.968 -1.647 5.108 1.00 0.00 O ATOM 1483 CG2 THR A 101 -16.808 -2.481 6.950 1.00 0.00 C ATOM 0 H THR A 101 -13.840 -2.509 5.543 1.00 0.00 H new ATOM 0 HA THR A 101 -15.923 -1.846 3.667 1.00 0.00 H new ATOM 0 HB THR A 101 -17.038 -3.589 5.117 1.00 0.00 H new ATOM 0 HG1 THR A 101 -18.801 -1.958 5.521 1.00 0.00 H new ATOM 0 HG21 THR A 101 -17.702 -2.916 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 101 -15.930 -3.036 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 101 -16.717 -1.440 7.261 1.00 0.00 H new ATOM 1491 N SER A 102 -16.091 0.421 4.736 1.00 0.00 N ATOM 1492 CA SER A 102 -15.865 1.805 5.117 1.00 0.00 C ATOM 1493 C SER A 102 -14.485 2.261 4.638 1.00 0.00 C ATOM 1494 O SER A 102 -13.613 1.436 4.370 1.00 0.00 O ATOM 1495 CB SER A 102 -15.989 1.987 6.631 1.00 0.00 C ATOM 1496 OG SER A 102 -17.319 2.314 7.023 1.00 0.00 O ATOM 0 H SER A 102 -16.863 0.278 4.085 1.00 0.00 H new ATOM 0 HA SER A 102 -16.629 2.420 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 102 -15.678 1.071 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 102 -15.311 2.775 6.958 1.00 0.00 H new ATOM 0 HG SER A 102 -17.356 2.420 7.997 1.00 0.00 H new ATOM 1502 N GLY A 103 -14.330 3.574 4.546 1.00 0.00 N ATOM 1503 CA GLY A 103 -13.072 4.149 4.104 1.00 0.00 C ATOM 1504 C GLY A 103 -13.275 5.570 3.574 1.00 0.00 C ATOM 1505 O GLY A 103 -13.215 5.801 2.367 1.00 0.00 O ATOM 0 H GLY A 103 -15.055 4.255 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.364 4.164 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.637 3.525 3.324 1.00 0.00 H new ATOM 1509 N PRO A 104 -13.516 6.510 4.526 1.00 0.00 N ATOM 1510 CA PRO A 104 -13.728 7.902 4.168 1.00 0.00 C ATOM 1511 C PRO A 104 -12.409 8.577 3.787 1.00 0.00 C ATOM 1512 O PRO A 104 -12.275 9.110 2.686 1.00 0.00 O ATOM 1513 CB PRO A 104 -14.385 8.527 5.387 1.00 0.00 C ATOM 1514 CG PRO A 104 -14.095 7.586 6.545 1.00 0.00 C ATOM 1515 CD PRO A 104 -13.594 6.274 5.965 1.00 0.00 C ATOM 0 HA PRO A 104 -14.361 8.018 3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -13.982 9.521 5.581 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -15.458 8.642 5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.348 8.019 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -14.995 7.422 7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -12.621 6.006 6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -14.274 5.454 6.195 1.00 0.00 H new ATOM 1523 N SER A 105 -11.468 8.533 4.719 1.00 0.00 N ATOM 1524 CA SER A 105 -10.164 9.134 4.495 1.00 0.00 C ATOM 1525 C SER A 105 -10.295 10.657 4.426 1.00 0.00 C ATOM 1526 O SER A 105 -10.567 11.213 3.363 1.00 0.00 O ATOM 1527 CB SER A 105 -9.524 8.598 3.213 1.00 0.00 C ATOM 1528 OG SER A 105 -9.495 7.173 3.186 1.00 0.00 O ATOM 0 H SER A 105 -11.583 8.090 5.631 1.00 0.00 H new ATOM 0 HA SER A 105 -9.517 8.869 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.079 8.966 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.508 8.983 3.127 1.00 0.00 H new ATOM 0 HG SER A 105 -9.081 6.870 2.351 1.00 0.00 H new ATOM 1534 N SER A 106 -10.095 11.289 5.573 1.00 0.00 N ATOM 1535 CA SER A 106 -10.187 12.736 5.656 1.00 0.00 C ATOM 1536 C SER A 106 -8.785 13.348 5.704 1.00 0.00 C ATOM 1537 O SER A 106 -7.809 12.651 5.980 1.00 0.00 O ATOM 1538 CB SER A 106 -10.996 13.167 6.881 1.00 0.00 C ATOM 1539 OG SER A 106 -12.302 12.596 6.886 1.00 0.00 O ATOM 0 H SER A 106 -9.869 10.825 6.453 1.00 0.00 H new ATOM 0 HA SER A 106 -10.704 13.097 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.467 12.871 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 106 -11.075 14.254 6.899 1.00 0.00 H new ATOM 0 HG SER A 106 -12.786 12.894 7.684 1.00 0.00 H new ATOM 1545 N GLY A 107 -8.730 14.643 5.432 1.00 0.00 N ATOM 1546 CA GLY A 107 -7.464 15.356 5.440 1.00 0.00 C ATOM 1547 C GLY A 107 -7.336 16.262 4.214 1.00 0.00 C ATOM 1548 O GLY A 107 -8.199 17.103 3.967 1.00 0.00 O ATOM 0 H GLY A 107 -9.542 15.217 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.385 15.954 6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.641 14.642 5.456 1.00 0.00 H new TER 1552 GLY A 107