USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 686 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 30 THR OG1 : rot 180:sc= 0.0303 USER MOD Set 1.2: A 102 ASN : amide:sc= -0.898 K(o=-0.87,f=-0.021) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 SER OG : rot -77:sc= 0.653 USER MOD Single : A 8 SER OG : rot 28:sc= 0.389 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -96:sc= 0.0859 USER MOD Single : A 29 SER OG : rot 45:sc= 0.295 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 48 ASN : amide:sc= -1.46! K(o=-1.5!,f=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 170:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0792 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.064) USER MOD Single : A 112 SER OG : rot 27:sc= 0.458 USER MOD ----------------------------------------------------------------- ATOM 24 N ALA A 3 -16.121 10.681 -0.828 1.00 0.00 N ATOM 25 CA ALA A 3 -15.267 10.592 -2.071 1.00 0.00 C ATOM 26 C ALA A 3 -15.502 9.267 -2.829 1.00 0.00 C ATOM 27 O ALA A 3 -15.274 8.204 -2.269 1.00 0.00 O ATOM 28 CB ALA A 3 -13.798 10.637 -1.618 1.00 0.00 C ATOM 0 HA ALA A 3 -15.521 11.414 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.146 10.575 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.609 11.571 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.596 9.797 -0.954 1.00 0.00 H new ATOM 34 N ALA A 4 -15.929 9.388 -4.091 1.00 0.00 N ATOM 35 CA ALA A 4 -16.208 8.190 -4.965 1.00 0.00 C ATOM 36 C ALA A 4 -14.917 7.606 -5.556 1.00 0.00 C ATOM 37 O ALA A 4 -14.175 8.336 -6.196 1.00 0.00 O ATOM 38 CB ALA A 4 -17.084 8.658 -6.137 1.00 0.00 C ATOM 0 H ALA A 4 -16.095 10.285 -4.548 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.693 7.425 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.303 7.812 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.017 9.071 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.555 9.424 -6.704 1.00 0.00 H new ATOM 44 N VAL A 5 -14.687 6.310 -5.261 1.00 0.00 N ATOM 45 CA VAL A 5 -13.480 5.504 -5.731 1.00 0.00 C ATOM 46 C VAL A 5 -14.151 4.294 -6.397 1.00 0.00 C ATOM 47 O VAL A 5 -15.142 3.811 -5.872 1.00 0.00 O ATOM 48 CB VAL A 5 -12.549 5.039 -4.475 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.502 3.865 -4.852 1.00 0.00 C ATOM 50 CG2 VAL A 5 -11.766 6.282 -3.849 1.00 0.00 C ATOM 0 H VAL A 5 -15.326 5.763 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.810 6.059 -6.388 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.236 4.630 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.915 3.604 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.048 2.987 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.836 4.211 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.153 5.943 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.127 6.730 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.483 7.023 -3.496 1.00 0.00 H new ATOM 60 N SER A 6 -13.628 3.889 -7.552 1.00 0.00 N ATOM 61 CA SER A 6 -14.179 2.712 -8.320 1.00 0.00 C ATOM 62 C SER A 6 -13.142 2.190 -9.324 1.00 0.00 C ATOM 63 O SER A 6 -12.358 2.973 -9.833 1.00 0.00 O ATOM 64 CB SER A 6 -15.420 3.178 -9.111 1.00 0.00 C ATOM 65 OG SER A 6 -15.125 4.516 -9.488 1.00 0.00 O ATOM 0 H SER A 6 -12.827 4.338 -7.997 1.00 0.00 H new ATOM 0 HA SER A 6 -14.432 1.919 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.592 2.549 -9.984 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.321 3.128 -8.500 1.00 0.00 H new ATOM 0 HG SER A 6 -15.874 4.884 -10.001 1.00 0.00 H new ATOM 71 N VAL A 7 -13.178 0.859 -9.521 1.00 0.00 N ATOM 72 CA VAL A 7 -12.267 0.083 -10.461 1.00 0.00 C ATOM 73 C VAL A 7 -13.276 -0.642 -11.382 1.00 0.00 C ATOM 74 O VAL A 7 -14.351 -0.983 -10.909 1.00 0.00 O ATOM 75 CB VAL A 7 -11.361 -0.992 -9.649 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.099 -1.507 -10.500 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.893 -0.430 -8.227 1.00 0.00 C ATOM 0 H VAL A 7 -13.844 0.258 -9.035 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.559 0.717 -10.995 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.007 -1.853 -9.475 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.529 -2.223 -9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.448 -1.988 -11.414 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.463 -0.660 -10.756 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.290 -1.182 -7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.301 0.474 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.769 -0.198 -7.621 1.00 0.00 H new ATOM 87 N SER A 8 -12.918 -0.781 -12.669 1.00 0.00 N ATOM 88 CA SER A 8 -13.798 -1.469 -13.711 1.00 0.00 C ATOM 89 C SER A 8 -12.892 -2.017 -14.913 1.00 0.00 C ATOM 90 O SER A 8 -12.335 -1.150 -15.579 1.00 0.00 O ATOM 91 CB SER A 8 -14.742 -0.369 -14.279 1.00 0.00 C ATOM 92 OG SER A 8 -15.836 -0.347 -13.373 1.00 0.00 O ATOM 0 H SER A 8 -12.033 -0.437 -13.042 1.00 0.00 H new ATOM 0 HA SER A 8 -14.345 -2.302 -13.268 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.243 0.599 -14.325 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.068 -0.608 -15.291 1.00 0.00 H new ATOM 0 HG SER A 8 -15.534 -0.640 -12.488 1.00 0.00 H new ATOM 98 N PRO A 9 -12.640 -3.390 -15.195 1.00 0.00 N ATOM 99 CA PRO A 9 -13.087 -4.644 -14.440 1.00 0.00 C ATOM 100 C PRO A 9 -12.482 -4.710 -13.031 1.00 0.00 C ATOM 101 O PRO A 9 -11.484 -4.065 -12.801 1.00 0.00 O ATOM 102 CB PRO A 9 -12.541 -5.832 -15.254 1.00 0.00 C ATOM 103 CG PRO A 9 -11.817 -5.283 -16.490 1.00 0.00 C ATOM 104 CD PRO A 9 -11.834 -3.756 -16.418 1.00 0.00 C ATOM 0 HA PRO A 9 -14.172 -4.649 -14.332 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.857 -6.425 -14.647 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.355 -6.492 -15.554 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.791 -5.650 -16.523 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.308 -5.626 -17.401 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.821 -3.360 -16.347 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.280 -3.331 -17.317 1.00 0.00 H new ATOM 112 N ALA A 10 -13.153 -5.458 -12.134 1.00 0.00 N ATOM 113 CA ALA A 10 -12.707 -5.641 -10.681 1.00 0.00 C ATOM 114 C ALA A 10 -12.901 -7.080 -10.182 1.00 0.00 C ATOM 115 O ALA A 10 -12.507 -7.358 -9.058 1.00 0.00 O ATOM 116 CB ALA A 10 -13.606 -4.751 -9.789 1.00 0.00 C ATOM 0 H ALA A 10 -14.012 -5.959 -12.361 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.649 -5.384 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.309 -4.863 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.497 -3.708 -10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.647 -5.054 -9.904 1.00 0.00 H new ATOM 122 N THR A 11 -13.511 -7.938 -11.020 1.00 0.00 N ATOM 123 CA THR A 11 -13.782 -9.397 -10.671 1.00 0.00 C ATOM 124 C THR A 11 -13.430 -10.300 -11.865 1.00 0.00 C ATOM 125 O THR A 11 -13.447 -9.852 -13.000 1.00 0.00 O ATOM 126 CB THR A 11 -15.313 -9.614 -10.384 1.00 0.00 C ATOM 127 OG1 THR A 11 -15.961 -9.260 -11.590 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.959 -8.651 -9.343 1.00 0.00 C ATOM 0 H THR A 11 -13.836 -7.673 -11.950 1.00 0.00 H new ATOM 0 HA THR A 11 -13.180 -9.643 -9.797 1.00 0.00 H new ATOM 0 HB THR A 11 -15.415 -10.633 -10.012 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.929 -9.373 -11.487 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.015 -8.895 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.454 -8.761 -8.383 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.860 -7.622 -9.689 1.00 0.00 H new ATOM 136 N GLY A 12 -13.075 -11.543 -11.539 1.00 0.00 N ATOM 137 CA GLY A 12 -12.698 -12.583 -12.571 1.00 0.00 C ATOM 138 C GLY A 12 -11.336 -12.323 -13.223 1.00 0.00 C ATOM 139 O GLY A 12 -11.134 -12.731 -14.358 1.00 0.00 O ATOM 0 H GLY A 12 -13.032 -11.881 -10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.686 -13.565 -12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.465 -12.611 -13.345 1.00 0.00 H new ATOM 143 N LEU A 13 -10.448 -11.679 -12.470 1.00 0.00 N ATOM 144 CA LEU A 13 -9.052 -11.343 -12.957 1.00 0.00 C ATOM 145 C LEU A 13 -8.189 -12.629 -13.004 1.00 0.00 C ATOM 146 O LEU A 13 -8.472 -13.569 -12.275 1.00 0.00 O ATOM 147 CB LEU A 13 -8.371 -10.349 -11.933 1.00 0.00 C ATOM 148 CG LEU A 13 -9.169 -8.969 -11.543 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.241 -8.027 -10.631 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.727 -8.146 -12.796 1.00 0.00 C ATOM 0 H LEU A 13 -10.640 -11.367 -11.518 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.123 -10.896 -13.949 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.185 -10.898 -11.010 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.399 -10.068 -12.338 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.049 -9.289 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.783 -7.115 -10.380 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.975 -8.555 -9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.334 -7.771 -11.178 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.239 -7.251 -12.444 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.897 -7.859 -13.442 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.425 -8.767 -13.357 1.00 0.00 H new ATOM 162 N ALA A 14 -7.186 -12.608 -13.910 1.00 0.00 N ATOM 163 CA ALA A 14 -6.200 -13.748 -14.149 1.00 0.00 C ATOM 164 C ALA A 14 -4.778 -13.169 -14.261 1.00 0.00 C ATOM 165 O ALA A 14 -4.616 -11.978 -14.079 1.00 0.00 O ATOM 166 CB ALA A 14 -6.581 -14.421 -15.493 1.00 0.00 C ATOM 0 H ALA A 14 -7.015 -11.804 -14.514 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.233 -14.468 -13.331 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.894 -15.243 -15.696 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.599 -14.805 -15.432 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.518 -13.688 -16.298 1.00 0.00 H new ATOM 172 N ASP A 15 -3.799 -14.046 -14.519 1.00 0.00 N ATOM 173 CA ASP A 15 -2.340 -13.645 -14.663 1.00 0.00 C ATOM 174 C ASP A 15 -2.121 -12.707 -15.874 1.00 0.00 C ATOM 175 O ASP A 15 -2.692 -12.944 -16.927 1.00 0.00 O ATOM 176 CB ASP A 15 -1.538 -14.956 -14.859 1.00 0.00 C ATOM 177 CG ASP A 15 -0.165 -14.691 -15.485 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.643 -14.100 -14.786 1.00 0.00 O ATOM 179 OD2 ASP A 15 -0.002 -15.095 -16.624 1.00 0.00 O ATOM 0 H ASP A 15 -3.963 -15.046 -14.637 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.013 -13.098 -13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.410 -15.452 -13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.103 -15.637 -15.496 1.00 0.00 H new ATOM 184 N GLY A 16 -1.318 -11.652 -15.657 1.00 0.00 N ATOM 185 CA GLY A 16 -1.001 -10.637 -16.730 1.00 0.00 C ATOM 186 C GLY A 16 -2.209 -9.719 -16.915 1.00 0.00 C ATOM 187 O GLY A 16 -2.525 -9.324 -18.026 1.00 0.00 O ATOM 0 H GLY A 16 -0.869 -11.462 -14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.124 -10.054 -16.450 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.763 -11.141 -17.667 1.00 0.00 H new ATOM 191 N ALA A 17 -2.812 -9.397 -15.778 1.00 0.00 N ATOM 192 CA ALA A 17 -4.026 -8.505 -15.715 1.00 0.00 C ATOM 193 C ALA A 17 -3.690 -7.039 -16.013 1.00 0.00 C ATOM 194 O ALA A 17 -2.541 -6.647 -15.878 1.00 0.00 O ATOM 195 CB ALA A 17 -4.603 -8.577 -14.274 1.00 0.00 C ATOM 0 H ALA A 17 -2.499 -9.729 -14.866 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.736 -8.851 -16.466 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.484 -7.939 -14.202 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.881 -9.606 -14.044 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.850 -8.237 -13.563 1.00 0.00 H new ATOM 201 N THR A 18 -4.730 -6.315 -16.444 1.00 0.00 N ATOM 202 CA THR A 18 -4.673 -4.854 -16.800 1.00 0.00 C ATOM 203 C THR A 18 -5.979 -4.256 -16.247 1.00 0.00 C ATOM 204 O THR A 18 -7.048 -4.695 -16.650 1.00 0.00 O ATOM 205 CB THR A 18 -4.593 -4.763 -18.360 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.264 -5.147 -18.659 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.692 -3.327 -18.983 1.00 0.00 C ATOM 0 H THR A 18 -5.660 -6.716 -16.564 1.00 0.00 H new ATOM 0 HA THR A 18 -3.818 -4.317 -16.389 1.00 0.00 H new ATOM 0 HB THR A 18 -5.422 -5.352 -18.751 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.126 -5.119 -19.629 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.624 -3.396 -20.069 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.645 -2.876 -18.707 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.876 -2.710 -18.607 1.00 0.00 H new ATOM 215 N VAL A 19 -5.817 -3.296 -15.321 1.00 0.00 N ATOM 216 CA VAL A 19 -6.957 -2.566 -14.630 1.00 0.00 C ATOM 217 C VAL A 19 -6.874 -1.052 -14.931 1.00 0.00 C ATOM 218 O VAL A 19 -5.797 -0.573 -15.258 1.00 0.00 O ATOM 219 CB VAL A 19 -6.871 -2.856 -13.034 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.535 -4.262 -12.669 1.00 0.00 C ATOM 221 CG2 VAL A 19 -5.382 -2.760 -12.441 1.00 0.00 C ATOM 0 H VAL A 19 -4.897 -2.984 -15.011 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.916 -2.925 -15.003 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.441 -2.059 -12.556 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.463 -4.430 -11.594 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.584 -4.257 -12.966 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.012 -5.059 -13.197 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.403 -2.965 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.744 -3.491 -12.939 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.987 -1.758 -12.611 1.00 0.00 H new ATOM 231 N THR A 20 -8.040 -0.396 -14.842 1.00 0.00 N ATOM 232 CA THR A 20 -8.220 1.084 -15.086 1.00 0.00 C ATOM 233 C THR A 20 -8.836 1.666 -13.795 1.00 0.00 C ATOM 234 O THR A 20 -10.046 1.632 -13.620 1.00 0.00 O ATOM 235 CB THR A 20 -9.179 1.206 -16.327 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.351 0.865 -17.422 1.00 0.00 O ATOM 237 CG2 THR A 20 -9.677 2.642 -16.712 1.00 0.00 C ATOM 0 H THR A 20 -8.911 -0.866 -14.596 1.00 0.00 H new ATOM 0 HA THR A 20 -7.300 1.627 -15.302 1.00 0.00 H new ATOM 0 HB THR A 20 -10.059 0.607 -16.095 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.870 0.912 -18.252 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.329 2.580 -17.583 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.229 3.072 -15.876 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.820 3.274 -16.945 1.00 0.00 H new ATOM 245 N VAL A 21 -7.955 2.200 -12.944 1.00 0.00 N ATOM 246 CA VAL A 21 -8.356 2.818 -11.622 1.00 0.00 C ATOM 247 C VAL A 21 -8.874 4.222 -11.971 1.00 0.00 C ATOM 248 O VAL A 21 -8.405 4.801 -12.936 1.00 0.00 O ATOM 249 CB VAL A 21 -7.023 2.856 -10.689 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.119 3.861 -9.431 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.636 1.380 -10.197 1.00 0.00 C ATOM 0 H VAL A 21 -6.951 2.229 -13.124 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.127 2.272 -11.078 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.233 3.254 -11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.189 3.824 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.285 4.877 -9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.948 3.562 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.742 1.427 -9.575 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.460 0.962 -9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.443 0.747 -11.063 1.00 0.00 H new ATOM 261 N SER A 22 -9.849 4.681 -11.172 1.00 0.00 N ATOM 262 CA SER A 22 -10.509 6.036 -11.327 1.00 0.00 C ATOM 263 C SER A 22 -10.690 6.674 -9.955 1.00 0.00 C ATOM 264 O SER A 22 -10.514 6.009 -8.946 1.00 0.00 O ATOM 265 CB SER A 22 -11.909 5.851 -11.945 1.00 0.00 C ATOM 266 OG SER A 22 -12.772 5.701 -10.829 1.00 0.00 O ATOM 0 H SER A 22 -10.220 4.140 -10.391 1.00 0.00 H new ATOM 0 HA SER A 22 -9.885 6.665 -11.962 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.192 6.711 -12.553 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.944 4.976 -12.594 1.00 0.00 H new ATOM 0 HG SER A 22 -12.684 4.795 -10.467 1.00 0.00 H new ATOM 272 N ALA A 23 -10.975 7.969 -9.984 1.00 0.00 N ATOM 273 CA ALA A 23 -11.195 8.792 -8.743 1.00 0.00 C ATOM 274 C ALA A 23 -11.965 10.055 -9.126 1.00 0.00 C ATOM 275 O ALA A 23 -11.811 10.529 -10.241 1.00 0.00 O ATOM 276 CB ALA A 23 -9.824 9.187 -8.155 1.00 0.00 C ATOM 0 H ALA A 23 -11.066 8.501 -10.850 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.759 8.222 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.972 9.784 -7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.262 8.287 -7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.267 9.770 -8.889 1.00 0.00 H new ATOM 282 N SER A 24 -12.815 10.525 -8.205 1.00 0.00 N ATOM 283 CA SER A 24 -13.649 11.763 -8.425 1.00 0.00 C ATOM 284 C SER A 24 -14.117 12.294 -7.069 1.00 0.00 C ATOM 285 O SER A 24 -14.340 11.507 -6.162 1.00 0.00 O ATOM 286 CB SER A 24 -14.885 11.398 -9.275 1.00 0.00 C ATOM 287 OG SER A 24 -15.206 10.069 -8.891 1.00 0.00 O ATOM 0 H SER A 24 -12.959 10.085 -7.296 1.00 0.00 H new ATOM 0 HA SER A 24 -13.058 12.521 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.714 12.078 -9.080 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.665 11.460 -10.341 1.00 0.00 H new ATOM 0 HG SER A 24 -15.991 9.764 -9.392 1.00 0.00 H new ATOM 293 N GLY A 25 -14.234 13.621 -6.979 1.00 0.00 N ATOM 294 CA GLY A 25 -14.681 14.311 -5.715 1.00 0.00 C ATOM 295 C GLY A 25 -13.571 14.265 -4.655 1.00 0.00 C ATOM 296 O GLY A 25 -13.537 13.343 -3.857 1.00 0.00 O ATOM 0 H GLY A 25 -14.032 14.258 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.942 15.347 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.580 13.830 -5.330 1.00 0.00 H new ATOM 300 N PHE A 26 -12.700 15.272 -4.718 1.00 0.00 N ATOM 301 CA PHE A 26 -11.529 15.431 -3.776 1.00 0.00 C ATOM 302 C PHE A 26 -11.140 16.918 -3.770 1.00 0.00 C ATOM 303 O PHE A 26 -11.432 17.615 -4.729 1.00 0.00 O ATOM 304 CB PHE A 26 -10.324 14.606 -4.338 1.00 0.00 C ATOM 305 CG PHE A 26 -10.285 13.096 -3.810 1.00 0.00 C ATOM 306 CD1 PHE A 26 -9.755 12.781 -2.529 1.00 0.00 C ATOM 307 CD2 PHE A 26 -10.662 11.995 -4.628 1.00 0.00 C ATOM 308 CE1 PHE A 26 -9.605 11.472 -2.125 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.495 10.699 -4.184 1.00 0.00 C ATOM 310 CZ PHE A 26 -9.971 10.440 -2.945 1.00 0.00 C ATOM 0 H PHE A 26 -12.763 16.015 -5.414 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.783 15.088 -2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.373 14.601 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.394 15.103 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.465 13.580 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.083 12.175 -5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.194 11.258 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.782 9.877 -4.823 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.847 9.419 -2.615 1.00 0.00 H new ATOM 320 N ALA A 27 -10.539 17.361 -2.658 1.00 0.00 N ATOM 321 CA ALA A 27 -10.089 18.800 -2.482 1.00 0.00 C ATOM 322 C ALA A 27 -9.049 18.927 -1.349 1.00 0.00 C ATOM 323 O ALA A 27 -8.246 19.853 -1.375 1.00 0.00 O ATOM 324 CB ALA A 27 -11.327 19.661 -2.122 1.00 0.00 C ATOM 0 H ALA A 27 -10.341 16.766 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.629 19.139 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.022 20.699 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.061 19.596 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.769 19.293 -1.196 1.00 0.00 H new ATOM 330 N THR A 28 -9.021 17.930 -0.463 1.00 0.00 N ATOM 331 CA THR A 28 -8.058 17.914 0.710 1.00 0.00 C ATOM 332 C THR A 28 -6.652 17.456 0.269 1.00 0.00 C ATOM 333 O THR A 28 -5.697 18.173 0.529 1.00 0.00 O ATOM 334 CB THR A 28 -8.580 16.894 1.774 1.00 0.00 C ATOM 335 OG1 THR A 28 -9.144 15.814 1.051 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.767 17.401 2.652 1.00 0.00 C ATOM 0 H THR A 28 -9.636 17.117 -0.508 1.00 0.00 H new ATOM 0 HA THR A 28 -7.997 18.923 1.117 1.00 0.00 H new ATOM 0 HB THR A 28 -7.731 16.673 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.112 15.942 0.974 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.056 16.622 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.460 18.292 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.615 17.644 2.012 1.00 0.00 H new ATOM 344 N SER A 29 -6.572 16.289 -0.380 1.00 0.00 N ATOM 345 CA SER A 29 -5.250 15.721 -0.873 1.00 0.00 C ATOM 346 C SER A 29 -4.697 16.558 -2.059 1.00 0.00 C ATOM 347 O SER A 29 -5.403 16.748 -3.033 1.00 0.00 O ATOM 348 CB SER A 29 -5.503 14.281 -1.357 1.00 0.00 C ATOM 349 OG SER A 29 -6.726 14.332 -2.072 1.00 0.00 O ATOM 0 H SER A 29 -7.380 15.703 -0.589 1.00 0.00 H new ATOM 0 HA SER A 29 -4.521 15.745 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.690 13.932 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.568 13.590 -0.517 1.00 0.00 H new ATOM 0 HG SER A 29 -6.727 15.114 -2.663 1.00 0.00 H new ATOM 355 N THR A 30 -3.444 17.021 -1.929 1.00 0.00 N ATOM 356 CA THR A 30 -2.747 17.865 -2.999 1.00 0.00 C ATOM 357 C THR A 30 -2.173 17.015 -4.161 1.00 0.00 C ATOM 358 O THR A 30 -1.819 17.558 -5.194 1.00 0.00 O ATOM 359 CB THR A 30 -1.546 18.569 -2.277 1.00 0.00 C ATOM 360 OG1 THR A 30 -2.016 18.817 -0.965 1.00 0.00 O ATOM 361 CG2 THR A 30 -1.164 20.000 -2.784 1.00 0.00 C ATOM 0 H THR A 30 -2.866 16.843 -1.107 1.00 0.00 H new ATOM 0 HA THR A 30 -3.469 18.556 -3.434 1.00 0.00 H new ATOM 0 HB THR A 30 -0.682 17.921 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.314 19.259 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.321 20.378 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.889 19.951 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.016 20.669 -2.662 1.00 0.00 H new ATOM 369 N SER A 31 -2.098 15.715 -3.937 1.00 0.00 N ATOM 370 CA SER A 31 -1.563 14.708 -4.941 1.00 0.00 C ATOM 371 C SER A 31 -1.963 13.314 -4.445 1.00 0.00 C ATOM 372 O SER A 31 -2.203 13.183 -3.264 1.00 0.00 O ATOM 373 CB SER A 31 -0.007 14.802 -4.983 1.00 0.00 C ATOM 374 OG SER A 31 0.371 15.066 -3.639 1.00 0.00 O ATOM 0 H SER A 31 -2.399 15.289 -3.060 1.00 0.00 H new ATOM 0 HA SER A 31 -1.963 14.902 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.437 13.875 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.325 15.596 -5.652 1.00 0.00 H new ATOM 0 HG SER A 31 1.347 15.138 -3.582 1.00 0.00 H new ATOM 380 N ALA A 32 -2.050 12.337 -5.365 1.00 0.00 N ATOM 381 CA ALA A 32 -2.438 10.908 -5.016 1.00 0.00 C ATOM 382 C ALA A 32 -1.676 9.896 -5.878 1.00 0.00 C ATOM 383 O ALA A 32 -1.376 10.192 -7.022 1.00 0.00 O ATOM 384 CB ALA A 32 -3.942 10.755 -5.293 1.00 0.00 C ATOM 0 H ALA A 32 -1.863 12.483 -6.357 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.195 10.715 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.255 9.739 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.499 11.461 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.140 10.956 -6.346 1.00 0.00 H new ATOM 390 N THR A 33 -1.400 8.735 -5.249 1.00 0.00 N ATOM 391 CA THR A 33 -0.660 7.559 -5.856 1.00 0.00 C ATOM 392 C THR A 33 -1.627 6.366 -5.889 1.00 0.00 C ATOM 393 O THR A 33 -2.779 6.528 -5.520 1.00 0.00 O ATOM 394 CB THR A 33 0.511 7.242 -4.860 1.00 0.00 C ATOM 395 OG1 THR A 33 0.818 8.496 -4.282 1.00 0.00 O ATOM 396 CG2 THR A 33 1.874 6.810 -5.489 1.00 0.00 C ATOM 0 H THR A 33 -1.682 8.564 -4.284 1.00 0.00 H new ATOM 0 HA THR A 33 -0.291 7.761 -6.862 1.00 0.00 H new ATOM 0 HB THR A 33 0.165 6.425 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.548 8.389 -3.637 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.597 6.621 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.733 5.902 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.245 7.605 -6.135 1.00 0.00 H new ATOM 404 N ALA A 34 -1.137 5.231 -6.383 1.00 0.00 N ATOM 405 CA ALA A 34 -1.949 3.956 -6.487 1.00 0.00 C ATOM 406 C ALA A 34 -0.977 2.765 -6.573 1.00 0.00 C ATOM 407 O ALA A 34 -0.234 2.670 -7.543 1.00 0.00 O ATOM 408 CB ALA A 34 -2.797 4.012 -7.782 1.00 0.00 C ATOM 0 H ALA A 34 -0.181 5.138 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.601 3.846 -5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.387 3.100 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.464 4.873 -7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.138 4.102 -8.645 1.00 0.00 H new ATOM 414 N LEU A 35 -0.930 1.956 -5.484 1.00 0.00 N ATOM 415 CA LEU A 35 -0.014 0.728 -5.411 1.00 0.00 C ATOM 416 C LEU A 35 -0.638 -0.395 -4.549 1.00 0.00 C ATOM 417 O LEU A 35 -1.228 -0.115 -3.517 1.00 0.00 O ATOM 418 CB LEU A 35 1.449 1.000 -4.798 1.00 0.00 C ATOM 419 CG LEU A 35 1.815 2.451 -4.127 1.00 0.00 C ATOM 420 CD1 LEU A 35 1.108 2.667 -2.711 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.406 2.647 -4.002 1.00 0.00 C ATOM 0 H LEU A 35 -1.493 2.105 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 35 0.094 0.442 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.625 0.240 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.170 0.824 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 35 1.422 3.213 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.384 3.643 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.026 2.618 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.431 1.888 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.619 3.618 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.822 1.859 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.858 2.598 -4.993 1.00 0.00 H new ATOM 433 N GLN A 36 -0.476 -1.647 -5.033 1.00 0.00 N ATOM 434 CA GLN A 36 -1.002 -2.887 -4.344 1.00 0.00 C ATOM 435 C GLN A 36 0.053 -3.265 -3.302 1.00 0.00 C ATOM 436 O GLN A 36 1.219 -3.012 -3.553 1.00 0.00 O ATOM 437 CB GLN A 36 -1.093 -4.005 -5.461 1.00 0.00 C ATOM 438 CG GLN A 36 -1.641 -5.401 -4.995 1.00 0.00 C ATOM 439 CD GLN A 36 -2.116 -6.171 -6.231 1.00 0.00 C ATOM 440 OE1 GLN A 36 -3.296 -6.299 -6.484 1.00 0.00 O ATOM 441 NE2 GLN A 36 -1.228 -6.708 -7.021 1.00 0.00 N ATOM 0 H GLN A 36 0.016 -1.845 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.974 -2.754 -3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.731 -3.637 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.099 -4.150 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.862 -5.960 -4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.463 -5.270 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.234 -6.605 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.527 -7.231 -7.844 1.00 0.00 H new ATOM 450 N CYS A 37 -0.389 -3.794 -2.152 1.00 0.00 N ATOM 451 CA CYS A 37 0.543 -4.224 -1.019 1.00 0.00 C ATOM 452 C CYS A 37 -0.046 -5.475 -0.343 1.00 0.00 C ATOM 453 O CYS A 37 -1.258 -5.563 -0.224 1.00 0.00 O ATOM 454 CB CYS A 37 0.671 -3.094 0.046 1.00 0.00 C ATOM 455 SG CYS A 37 1.344 -1.478 -0.453 1.00 0.00 S ATOM 0 H CYS A 37 -1.377 -3.947 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 37 1.529 -4.434 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.321 -2.922 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.295 -3.474 0.855 1.00 0.00 H new ATOM 460 N ALA A 38 0.855 -6.380 0.092 1.00 0.00 N ATOM 461 CA ALA A 38 0.481 -7.685 0.781 1.00 0.00 C ATOM 462 C ALA A 38 0.637 -7.629 2.314 1.00 0.00 C ATOM 463 O ALA A 38 1.742 -7.419 2.803 1.00 0.00 O ATOM 464 CB ALA A 38 1.453 -8.759 0.245 1.00 0.00 C ATOM 0 H ALA A 38 1.862 -6.251 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.567 -7.898 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.227 -9.719 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.341 -8.844 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.478 -8.473 0.483 1.00 0.00 H new ATOM 470 N ILE A 39 -0.494 -7.821 3.019 1.00 0.00 N ATOM 471 CA ILE A 39 -0.529 -7.807 4.536 1.00 0.00 C ATOM 472 C ILE A 39 0.010 -9.197 4.938 1.00 0.00 C ATOM 473 O ILE A 39 -0.387 -10.170 4.322 1.00 0.00 O ATOM 474 CB ILE A 39 -2.061 -7.590 5.040 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.684 -6.154 4.609 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.266 -7.902 6.623 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.300 -4.888 5.461 1.00 0.00 C ATOM 0 H ILE A 39 -1.403 -7.989 2.587 1.00 0.00 H new ATOM 0 HA ILE A 39 0.060 -7.004 4.980 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.641 -8.342 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.392 -5.961 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.770 -6.246 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.309 -7.738 6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.996 -8.938 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.630 -7.239 7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.794 -4.008 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.620 -5.033 6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.220 -4.744 5.433 1.00 0.00 H new ATOM 489 N LEU A 40 0.899 -9.215 5.939 1.00 0.00 N ATOM 490 CA LEU A 40 1.551 -10.482 6.487 1.00 0.00 C ATOM 491 C LEU A 40 1.013 -10.637 7.934 1.00 0.00 C ATOM 492 O LEU A 40 0.126 -9.881 8.301 1.00 0.00 O ATOM 493 CB LEU A 40 3.143 -10.300 6.483 1.00 0.00 C ATOM 494 CG LEU A 40 3.833 -10.017 5.025 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.205 -9.213 5.188 1.00 0.00 C ATOM 496 CD2 LEU A 40 4.061 -11.353 4.165 1.00 0.00 C ATOM 0 H LEU A 40 1.208 -8.367 6.414 1.00 0.00 H new ATOM 0 HA LEU A 40 1.321 -11.364 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.395 -9.474 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.592 -11.199 6.906 1.00 0.00 H new ATOM 0 HG LEU A 40 3.126 -9.403 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.643 -9.038 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.011 -8.257 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.898 -9.795 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.521 -11.097 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.715 -12.031 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.102 -11.839 3.987 1.00 0.00 H new ATOM 508 N ALA A 41 1.538 -11.611 8.686 1.00 0.00 N ATOM 509 CA ALA A 41 1.104 -11.875 10.116 1.00 0.00 C ATOM 510 C ALA A 41 1.441 -10.715 11.057 1.00 0.00 C ATOM 511 O ALA A 41 0.570 -10.243 11.770 1.00 0.00 O ATOM 512 CB ALA A 41 1.842 -13.128 10.617 1.00 0.00 C ATOM 0 H ALA A 41 2.265 -12.244 8.353 1.00 0.00 H new ATOM 0 HA ALA A 41 0.022 -12.003 10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.546 -13.338 11.645 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.586 -13.978 9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.918 -12.957 10.577 1.00 0.00 H new ATOM 518 N ASP A 42 2.697 -10.276 10.980 1.00 0.00 N ATOM 519 CA ASP A 42 3.219 -9.126 11.836 1.00 0.00 C ATOM 520 C ASP A 42 2.639 -7.750 11.381 1.00 0.00 C ATOM 521 O ASP A 42 2.628 -6.805 12.160 1.00 0.00 O ATOM 522 CB ASP A 42 4.783 -9.114 11.791 1.00 0.00 C ATOM 523 CG ASP A 42 5.350 -9.485 10.410 1.00 0.00 C ATOM 524 OD1 ASP A 42 4.993 -8.812 9.466 1.00 0.00 O ATOM 525 OD2 ASP A 42 6.117 -10.435 10.386 1.00 0.00 O ATOM 0 H ASP A 42 3.394 -10.673 10.350 1.00 0.00 H new ATOM 0 HA ASP A 42 2.886 -9.284 12.862 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.141 -8.123 12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.167 -9.812 12.534 1.00 0.00 H new ATOM 530 N GLY A 43 2.164 -7.703 10.127 1.00 0.00 N ATOM 531 CA GLY A 43 1.559 -6.462 9.511 1.00 0.00 C ATOM 532 C GLY A 43 2.589 -5.445 9.002 1.00 0.00 C ATOM 533 O GLY A 43 2.246 -4.276 8.900 1.00 0.00 O ATOM 0 H GLY A 43 2.178 -8.505 9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.917 -6.758 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.921 -5.977 10.250 1.00 0.00 H new ATOM 537 N ARG A 44 3.799 -5.919 8.685 1.00 0.00 N ATOM 538 CA ARG A 44 4.907 -5.016 8.164 1.00 0.00 C ATOM 539 C ARG A 44 4.580 -4.649 6.709 1.00 0.00 C ATOM 540 O ARG A 44 4.036 -5.475 5.996 1.00 0.00 O ATOM 541 CB ARG A 44 6.259 -5.801 8.137 1.00 0.00 C ATOM 542 CG ARG A 44 6.920 -6.010 9.564 1.00 0.00 C ATOM 543 CD ARG A 44 7.974 -4.931 9.973 1.00 0.00 C ATOM 544 NE ARG A 44 8.232 -5.082 11.432 1.00 0.00 N ATOM 545 CZ ARG A 44 9.420 -4.816 11.903 1.00 0.00 C ATOM 546 NH1 ARG A 44 9.763 -3.569 12.079 1.00 0.00 N ATOM 547 NH2 ARG A 44 10.223 -5.805 12.184 1.00 0.00 N ATOM 0 H ARG A 44 4.063 -6.901 8.767 1.00 0.00 H new ATOM 0 HA ARG A 44 4.986 -4.136 8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.090 -6.777 7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.963 -5.268 7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.129 -6.025 10.314 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.399 -6.989 9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.896 -5.062 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.603 -3.930 9.752 1.00 0.00 H new ATOM 0 HE ARG A 44 7.487 -5.390 12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.107 -2.822 11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.687 -3.341 12.446 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.919 -6.767 12.035 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.155 -5.616 12.553 1.00 0.00 H new ATOM 561 N GLY A 45 4.920 -3.427 6.325 1.00 0.00 N ATOM 562 CA GLY A 45 4.661 -2.921 4.928 1.00 0.00 C ATOM 563 C GLY A 45 5.576 -3.585 3.875 1.00 0.00 C ATOM 564 O GLY A 45 6.782 -3.458 3.989 1.00 0.00 O ATOM 0 H GLY A 45 5.375 -2.749 6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.619 -3.106 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.809 -1.841 4.903 1.00 0.00 H new ATOM 568 N ALA A 46 4.945 -4.295 2.921 1.00 0.00 N ATOM 569 CA ALA A 46 5.641 -5.026 1.782 1.00 0.00 C ATOM 570 C ALA A 46 4.877 -4.656 0.508 1.00 0.00 C ATOM 571 O ALA A 46 3.734 -5.055 0.366 1.00 0.00 O ATOM 572 CB ALA A 46 5.553 -6.543 2.046 1.00 0.00 C ATOM 0 H ALA A 46 3.930 -4.394 2.896 1.00 0.00 H new ATOM 0 HA ALA A 46 6.693 -4.755 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.048 -7.082 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.043 -6.777 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.506 -6.844 2.095 1.00 0.00 H new ATOM 578 N CYS A 47 5.510 -3.804 -0.342 1.00 0.00 N ATOM 579 CA CYS A 47 4.898 -3.318 -1.653 1.00 0.00 C ATOM 580 C CYS A 47 5.996 -3.089 -2.693 1.00 0.00 C ATOM 581 O CYS A 47 7.143 -2.861 -2.323 1.00 0.00 O ATOM 582 CB CYS A 47 4.200 -1.924 -1.448 1.00 0.00 C ATOM 583 SG CYS A 47 3.288 -1.531 0.083 1.00 0.00 S ATOM 0 H CYS A 47 6.441 -3.429 -0.162 1.00 0.00 H new ATOM 0 HA CYS A 47 4.186 -4.076 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.972 -1.163 -1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.502 -1.795 -2.275 1.00 0.00 H new ATOM 588 N ASN A 48 5.589 -3.155 -3.969 1.00 0.00 N ATOM 589 CA ASN A 48 6.537 -2.950 -5.136 1.00 0.00 C ATOM 590 C ASN A 48 6.703 -1.447 -5.412 1.00 0.00 C ATOM 591 O ASN A 48 5.760 -0.692 -5.193 1.00 0.00 O ATOM 592 CB ASN A 48 5.930 -3.619 -6.387 1.00 0.00 C ATOM 593 CG ASN A 48 7.049 -4.309 -7.171 1.00 0.00 C ATOM 594 OD1 ASN A 48 7.324 -5.479 -6.989 1.00 0.00 O ATOM 595 ND2 ASN A 48 7.720 -3.620 -8.054 1.00 0.00 N ATOM 0 H ASN A 48 4.626 -3.345 -4.244 1.00 0.00 H new ATOM 0 HA ASN A 48 7.508 -3.386 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.171 -4.345 -6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.436 -2.874 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.469 -4.064 -8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.495 -2.638 -8.212 1.00 0.00 H new ATOM 602 N VAL A 49 7.908 -1.082 -5.869 1.00 0.00 N ATOM 603 CA VAL A 49 8.293 0.358 -6.206 1.00 0.00 C ATOM 604 C VAL A 49 7.996 0.734 -7.684 1.00 0.00 C ATOM 605 O VAL A 49 7.767 1.888 -7.964 1.00 0.00 O ATOM 606 CB VAL A 49 9.867 0.587 -5.882 1.00 0.00 C ATOM 607 CG1 VAL A 49 10.089 0.939 -4.339 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.810 -0.633 -6.335 1.00 0.00 C ATOM 0 H VAL A 49 8.664 -1.749 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 49 7.678 1.011 -5.586 1.00 0.00 H new ATOM 0 HB VAL A 49 10.173 1.439 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.152 1.087 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.545 1.851 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.721 0.119 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.846 -0.404 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.503 -1.542 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.721 -0.781 -7.411 1.00 0.00 H new ATOM 618 N ALA A 50 7.956 -0.260 -8.558 1.00 0.00 N ATOM 619 CA ALA A 50 7.687 -0.037 -10.038 1.00 0.00 C ATOM 620 C ALA A 50 6.243 0.351 -10.429 1.00 0.00 C ATOM 621 O ALA A 50 6.066 0.889 -11.511 1.00 0.00 O ATOM 622 CB ALA A 50 7.984 -1.372 -10.730 1.00 0.00 C ATOM 0 H ALA A 50 8.101 -1.238 -8.306 1.00 0.00 H new ATOM 0 HA ALA A 50 8.308 0.808 -10.334 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.808 -1.274 -11.801 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.024 -1.648 -10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.331 -2.145 -10.324 1.00 0.00 H new ATOM 628 N GLU A 51 5.279 0.128 -9.533 1.00 0.00 N ATOM 629 CA GLU A 51 3.802 0.456 -9.801 1.00 0.00 C ATOM 630 C GLU A 51 3.426 1.957 -9.619 1.00 0.00 C ATOM 631 O GLU A 51 2.326 2.350 -9.997 1.00 0.00 O ATOM 632 CB GLU A 51 2.958 -0.413 -8.775 1.00 0.00 C ATOM 633 CG GLU A 51 2.692 -1.874 -9.254 1.00 0.00 C ATOM 634 CD GLU A 51 1.949 -2.631 -8.145 1.00 0.00 C ATOM 635 OE1 GLU A 51 0.733 -2.518 -8.140 1.00 0.00 O ATOM 636 OE2 GLU A 51 2.627 -3.287 -7.378 1.00 0.00 O ATOM 0 H GLU A 51 5.452 -0.274 -8.611 1.00 0.00 H new ATOM 0 HA GLU A 51 3.592 0.230 -10.846 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.484 -0.444 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.002 0.080 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.100 -1.869 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.633 -2.372 -9.486 1.00 0.00 H new ATOM 643 N PHE A 52 4.372 2.762 -9.147 1.00 0.00 N ATOM 644 CA PHE A 52 4.137 4.259 -8.915 1.00 0.00 C ATOM 645 C PHE A 52 3.827 5.098 -10.183 1.00 0.00 C ATOM 646 O PHE A 52 4.089 4.657 -11.292 1.00 0.00 O ATOM 647 CB PHE A 52 5.401 4.844 -8.204 1.00 0.00 C ATOM 648 CG PHE A 52 6.473 5.491 -9.210 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.271 4.671 -10.056 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.751 6.893 -9.242 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.261 5.216 -10.846 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.751 7.394 -10.049 1.00 0.00 C ATOM 653 CZ PHE A 52 8.499 6.564 -10.844 1.00 0.00 C ATOM 0 H PHE A 52 5.312 2.447 -8.907 1.00 0.00 H new ATOM 0 HA PHE A 52 3.235 4.332 -8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.085 5.603 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.885 4.051 -7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.099 3.605 -10.080 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.172 7.567 -8.628 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.857 4.571 -11.475 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.948 8.456 -10.055 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.277 6.975 -11.470 1.00 0.00 H new ATOM 663 N HIS A 53 3.262 6.279 -9.925 1.00 0.00 N ATOM 664 CA HIS A 53 2.870 7.280 -10.992 1.00 0.00 C ATOM 665 C HIS A 53 2.930 8.679 -10.376 1.00 0.00 C ATOM 666 O HIS A 53 3.574 9.551 -10.935 1.00 0.00 O ATOM 667 CB HIS A 53 1.422 7.010 -11.463 1.00 0.00 C ATOM 668 CG HIS A 53 1.415 6.106 -12.715 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.568 6.542 -13.909 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.220 4.736 -12.840 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.480 5.549 -14.726 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.263 4.395 -14.127 1.00 0.00 N ATOM 0 H HIS A 53 3.052 6.595 -8.978 1.00 0.00 H new ATOM 0 HA HIS A 53 3.546 7.196 -11.843 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.856 6.534 -10.662 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.925 7.954 -11.687 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.058 4.052 -12.020 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.575 5.652 -15.797 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.155 3.471 -14.545 1.00 0.00 H new ATOM 679 N ASP A 54 2.281 8.816 -9.209 1.00 0.00 N ATOM 680 CA ASP A 54 2.208 10.113 -8.416 1.00 0.00 C ATOM 681 C ASP A 54 1.612 11.303 -9.236 1.00 0.00 C ATOM 682 O ASP A 54 2.152 12.405 -9.273 1.00 0.00 O ATOM 683 CB ASP A 54 3.622 10.411 -7.778 1.00 0.00 C ATOM 684 CG ASP A 54 3.467 11.286 -6.523 1.00 0.00 C ATOM 685 OD1 ASP A 54 3.314 10.695 -5.465 1.00 0.00 O ATOM 686 OD2 ASP A 54 3.527 12.494 -6.687 1.00 0.00 O ATOM 0 H ASP A 54 1.782 8.045 -8.764 1.00 0.00 H new ATOM 0 HA ASP A 54 1.495 9.989 -7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.116 9.475 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.258 10.916 -8.505 1.00 0.00 H new ATOM 691 N PHE A 55 0.466 11.003 -9.850 1.00 0.00 N ATOM 692 CA PHE A 55 -0.295 11.994 -10.702 1.00 0.00 C ATOM 693 C PHE A 55 -0.876 13.166 -9.868 1.00 0.00 C ATOM 694 O PHE A 55 -1.412 12.942 -8.790 1.00 0.00 O ATOM 695 CB PHE A 55 -1.439 11.247 -11.484 1.00 0.00 C ATOM 696 CG PHE A 55 -2.534 10.535 -10.543 1.00 0.00 C ATOM 697 CD1 PHE A 55 -2.327 9.240 -9.998 1.00 0.00 C ATOM 698 CD2 PHE A 55 -3.771 11.163 -10.215 1.00 0.00 C ATOM 699 CE1 PHE A 55 -3.280 8.644 -9.198 1.00 0.00 C ATOM 700 CE2 PHE A 55 -4.697 10.529 -9.410 1.00 0.00 C ATOM 701 CZ PHE A 55 -4.453 9.283 -8.908 1.00 0.00 C ATOM 0 H PHE A 55 0.022 10.087 -9.789 1.00 0.00 H new ATOM 0 HA PHE A 55 0.407 12.433 -11.411 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.945 11.962 -12.133 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.988 10.494 -12.130 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.409 8.713 -10.213 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.987 12.148 -10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.097 7.659 -8.795 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.627 11.026 -9.174 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.188 8.801 -8.281 1.00 0.00 H new ATOM 711 N SER A 56 -0.706 14.382 -10.401 1.00 0.00 N ATOM 712 CA SER A 56 -1.197 15.655 -9.745 1.00 0.00 C ATOM 713 C SER A 56 -2.609 16.003 -10.220 1.00 0.00 C ATOM 714 O SER A 56 -2.870 15.916 -11.410 1.00 0.00 O ATOM 715 CB SER A 56 -0.273 16.790 -10.209 1.00 0.00 C ATOM 716 OG SER A 56 0.902 16.620 -9.430 1.00 0.00 O ATOM 0 H SER A 56 -0.232 14.538 -11.290 1.00 0.00 H new ATOM 0 HA SER A 56 -1.200 15.525 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.058 16.719 -11.275 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.726 17.767 -10.040 1.00 0.00 H new ATOM 0 HG SER A 56 1.555 17.312 -9.667 1.00 0.00 H new ATOM 722 N LEU A 57 -3.455 16.435 -9.279 1.00 0.00 N ATOM 723 CA LEU A 57 -4.888 16.819 -9.592 1.00 0.00 C ATOM 724 C LEU A 57 -4.875 18.232 -10.183 1.00 0.00 C ATOM 725 O LEU A 57 -3.938 18.977 -9.924 1.00 0.00 O ATOM 726 CB LEU A 57 -5.753 16.855 -8.264 1.00 0.00 C ATOM 727 CG LEU A 57 -5.604 15.596 -7.225 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.696 15.680 -6.060 1.00 0.00 C ATOM 729 CD2 LEU A 57 -5.659 14.152 -7.926 1.00 0.00 C ATOM 0 H LEU A 57 -3.202 16.536 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.316 16.093 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.501 17.768 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.802 16.933 -8.549 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.604 15.693 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.574 14.833 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.564 16.608 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.695 15.656 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.553 13.376 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.614 14.032 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.847 14.067 -8.648 1.00 0.00 H new ATOM 741 N SER A 58 -5.897 18.517 -11.015 1.00 0.00 N ATOM 742 CA SER A 58 -6.076 19.865 -11.715 1.00 0.00 C ATOM 743 C SER A 58 -7.556 20.292 -11.763 1.00 0.00 C ATOM 744 O SER A 58 -7.877 21.312 -12.361 1.00 0.00 O ATOM 745 CB SER A 58 -5.561 19.732 -13.176 1.00 0.00 C ATOM 746 OG SER A 58 -6.640 19.131 -13.877 1.00 0.00 O ATOM 0 H SER A 58 -6.631 17.845 -11.238 1.00 0.00 H new ATOM 0 HA SER A 58 -5.518 20.616 -11.156 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.306 20.704 -13.597 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.663 19.117 -13.226 1.00 0.00 H new ATOM 0 HG SER A 58 -6.393 19.013 -14.818 1.00 0.00 H new ATOM 752 N GLY A 59 -8.407 19.519 -11.103 1.00 0.00 N ATOM 753 CA GLY A 59 -9.886 19.818 -11.063 1.00 0.00 C ATOM 754 C GLY A 59 -10.630 18.796 -10.194 1.00 0.00 C ATOM 755 O GLY A 59 -11.825 18.628 -10.358 1.00 0.00 O ATOM 0 H GLY A 59 -8.133 18.684 -10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.047 20.821 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.291 19.804 -12.075 1.00 0.00 H new ATOM 759 N GLY A 60 -9.892 18.157 -9.291 1.00 0.00 N ATOM 760 CA GLY A 60 -10.468 17.122 -8.358 1.00 0.00 C ATOM 761 C GLY A 60 -10.822 15.799 -9.065 1.00 0.00 C ATOM 762 O GLY A 60 -11.717 15.119 -8.599 1.00 0.00 O ATOM 0 H GLY A 60 -8.893 18.319 -9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.751 16.921 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.364 17.526 -7.886 1.00 0.00 H new ATOM 766 N GLU A 61 -10.122 15.506 -10.184 1.00 0.00 N ATOM 767 CA GLU A 61 -10.330 14.231 -11.023 1.00 0.00 C ATOM 768 C GLU A 61 -8.960 13.770 -11.553 1.00 0.00 C ATOM 769 O GLU A 61 -8.057 14.581 -11.686 1.00 0.00 O ATOM 770 CB GLU A 61 -11.215 14.492 -12.304 1.00 0.00 C ATOM 771 CG GLU A 61 -12.570 15.196 -12.046 1.00 0.00 C ATOM 772 CD GLU A 61 -13.465 14.993 -13.270 1.00 0.00 C ATOM 773 OE1 GLU A 61 -13.266 15.738 -14.216 1.00 0.00 O ATOM 774 OE2 GLU A 61 -14.297 14.104 -13.190 1.00 0.00 O ATOM 0 H GLU A 61 -9.396 16.119 -10.556 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.819 13.500 -10.379 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.639 15.096 -13.005 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.409 13.536 -12.791 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.047 14.785 -11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.415 16.259 -11.862 1.00 0.00 H new ATOM 781 N GLY A 62 -8.855 12.470 -11.830 1.00 0.00 N ATOM 782 CA GLY A 62 -7.579 11.861 -12.358 1.00 0.00 C ATOM 783 C GLY A 62 -7.787 10.351 -12.587 1.00 0.00 C ATOM 784 O GLY A 62 -8.476 9.726 -11.797 1.00 0.00 O ATOM 0 H GLY A 62 -9.616 11.802 -11.708 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.291 12.345 -13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.766 12.024 -11.651 1.00 0.00 H new ATOM 788 N THR A 63 -7.201 9.845 -13.698 1.00 0.00 N ATOM 789 CA THR A 63 -7.272 8.378 -14.129 1.00 0.00 C ATOM 790 C THR A 63 -5.867 7.934 -14.564 1.00 0.00 C ATOM 791 O THR A 63 -5.085 8.772 -14.990 1.00 0.00 O ATOM 792 CB THR A 63 -8.225 8.283 -15.386 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.299 9.169 -15.136 1.00 0.00 O ATOM 794 CG2 THR A 63 -8.956 6.920 -15.595 1.00 0.00 C ATOM 0 H THR A 63 -6.658 10.422 -14.340 1.00 0.00 H new ATOM 0 HA THR A 63 -7.638 7.754 -13.313 1.00 0.00 H new ATOM 0 HB THR A 63 -7.584 8.475 -16.246 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.922 9.149 -15.892 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.580 6.975 -16.487 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.219 6.127 -15.716 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.580 6.705 -14.728 1.00 0.00 H new ATOM 802 N THR A 64 -5.579 6.628 -14.385 1.00 0.00 N ATOM 803 CA THR A 64 -4.226 6.016 -14.767 1.00 0.00 C ATOM 804 C THR A 64 -4.316 4.475 -14.941 1.00 0.00 C ATOM 805 O THR A 64 -4.986 3.817 -14.156 1.00 0.00 O ATOM 806 CB THR A 64 -3.094 6.360 -13.704 1.00 0.00 C ATOM 807 OG1 THR A 64 -1.961 5.647 -14.157 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.283 5.792 -12.253 1.00 0.00 C ATOM 0 H THR A 64 -6.237 5.958 -13.985 1.00 0.00 H new ATOM 0 HA THR A 64 -3.955 6.463 -15.723 1.00 0.00 H new ATOM 0 HB THR A 64 -3.063 7.448 -13.639 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.172 5.930 -13.649 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.443 6.099 -11.630 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.210 6.178 -11.829 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.327 4.704 -12.291 1.00 0.00 H new ATOM 816 N SER A 65 -3.624 3.971 -15.984 1.00 0.00 N ATOM 817 CA SER A 65 -3.569 2.497 -16.333 1.00 0.00 C ATOM 818 C SER A 65 -2.336 1.875 -15.663 1.00 0.00 C ATOM 819 O SER A 65 -1.291 2.508 -15.688 1.00 0.00 O ATOM 820 CB SER A 65 -3.375 2.390 -17.854 1.00 0.00 C ATOM 821 OG SER A 65 -2.846 1.087 -18.046 1.00 0.00 O ATOM 0 H SER A 65 -3.082 4.556 -16.620 1.00 0.00 H new ATOM 0 HA SER A 65 -4.477 1.991 -16.005 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.318 2.520 -18.386 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.693 3.155 -18.223 1.00 0.00 H new ATOM 0 HG SER A 65 -2.692 0.934 -19.002 1.00 0.00 H new ATOM 827 N VAL A 66 -2.518 0.683 -15.054 1.00 0.00 N ATOM 828 CA VAL A 66 -1.403 -0.089 -14.331 1.00 0.00 C ATOM 829 C VAL A 66 -1.476 -1.547 -14.821 1.00 0.00 C ATOM 830 O VAL A 66 -2.535 -1.965 -15.264 1.00 0.00 O ATOM 831 CB VAL A 66 -1.615 -0.139 -12.721 1.00 0.00 C ATOM 832 CG1 VAL A 66 -0.236 -0.142 -11.907 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.607 0.977 -12.159 1.00 0.00 C ATOM 0 H VAL A 66 -3.420 0.206 -15.031 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.457 0.409 -14.543 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.102 -1.099 -12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.445 -0.176 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.352 -1.015 -12.190 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.325 0.763 -12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.694 0.875 -11.077 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.216 1.966 -12.400 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.589 0.854 -12.615 1.00 0.00 H new ATOM 843 N VAL A 67 -0.319 -2.232 -14.753 1.00 0.00 N ATOM 844 CA VAL A 67 -0.129 -3.692 -15.172 1.00 0.00 C ATOM 845 C VAL A 67 0.415 -4.364 -13.887 1.00 0.00 C ATOM 846 O VAL A 67 1.215 -3.740 -13.204 1.00 0.00 O ATOM 847 CB VAL A 67 0.935 -3.834 -16.394 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.838 -5.262 -17.128 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.773 -2.647 -17.449 1.00 0.00 C ATOM 0 H VAL A 67 0.541 -1.808 -14.405 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.050 -4.144 -15.540 1.00 0.00 H new ATOM 0 HB VAL A 67 1.928 -3.765 -15.949 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.568 -5.306 -17.936 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.043 -6.055 -16.409 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.164 -5.394 -17.537 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.499 -2.773 -18.252 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.235 -2.664 -17.865 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.944 -1.692 -16.952 1.00 0.00 H new ATOM 859 N VAL A 68 -0.077 -5.588 -13.594 1.00 0.00 N ATOM 860 CA VAL A 68 0.351 -6.392 -12.356 1.00 0.00 C ATOM 861 C VAL A 68 0.317 -7.922 -12.620 1.00 0.00 C ATOM 862 O VAL A 68 -0.601 -8.418 -13.253 1.00 0.00 O ATOM 863 CB VAL A 68 -0.618 -6.127 -11.083 1.00 0.00 C ATOM 864 CG1 VAL A 68 -0.031 -5.053 -10.061 1.00 0.00 C ATOM 865 CG2 VAL A 68 -2.122 -5.790 -11.494 1.00 0.00 C ATOM 0 H VAL A 68 -0.767 -6.065 -14.174 1.00 0.00 H new ATOM 0 HA VAL A 68 1.365 -6.055 -12.141 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.648 -7.079 -10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.727 -4.921 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.928 -5.402 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.107 -4.101 -10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.716 -5.624 -10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.138 -4.892 -12.111 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.541 -6.624 -12.057 1.00 0.00 H new ATOM 875 N ARG A 69 1.349 -8.591 -12.090 1.00 0.00 N ATOM 876 CA ARG A 69 1.556 -10.093 -12.193 1.00 0.00 C ATOM 877 C ARG A 69 0.851 -10.714 -10.975 1.00 0.00 C ATOM 878 O ARG A 69 0.520 -9.971 -10.060 1.00 0.00 O ATOM 879 CB ARG A 69 3.114 -10.358 -12.105 1.00 0.00 C ATOM 880 CG ARG A 69 3.904 -10.075 -13.454 1.00 0.00 C ATOM 881 CD ARG A 69 4.059 -11.308 -14.402 1.00 0.00 C ATOM 882 NE ARG A 69 4.458 -10.800 -15.745 1.00 0.00 N ATOM 883 CZ ARG A 69 3.926 -11.328 -16.813 1.00 0.00 C ATOM 884 NH1 ARG A 69 4.443 -12.422 -17.301 1.00 0.00 N ATOM 885 NH2 ARG A 69 2.893 -10.743 -17.357 1.00 0.00 N ATOM 0 H ARG A 69 2.089 -8.124 -11.565 1.00 0.00 H new ATOM 0 HA ARG A 69 1.162 -10.515 -13.118 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.532 -9.734 -11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.278 -11.395 -11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.392 -9.281 -13.997 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.897 -9.701 -13.204 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.810 -11.996 -14.015 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.122 -11.862 -14.465 1.00 0.00 H new ATOM 0 HE ARG A 69 5.141 -10.047 -15.829 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.250 -12.851 -16.848 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.040 -12.849 -18.135 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.516 -9.889 -16.947 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.463 -11.140 -18.192 1.00 0.00 H new ATOM 899 N ARG A 70 0.603 -12.036 -11.020 1.00 0.00 N ATOM 900 CA ARG A 70 -0.081 -12.788 -9.895 1.00 0.00 C ATOM 901 C ARG A 70 0.760 -12.728 -8.587 1.00 0.00 C ATOM 902 O ARG A 70 0.180 -12.595 -7.521 1.00 0.00 O ATOM 903 CB ARG A 70 -0.230 -14.269 -10.425 1.00 0.00 C ATOM 904 CG ARG A 70 -0.848 -15.326 -9.388 1.00 0.00 C ATOM 905 CD ARG A 70 -1.538 -16.542 -10.075 1.00 0.00 C ATOM 906 NE ARG A 70 -0.680 -17.135 -11.149 1.00 0.00 N ATOM 907 CZ ARG A 70 -0.935 -18.340 -11.581 1.00 0.00 C ATOM 908 NH1 ARG A 70 -1.908 -18.512 -12.434 1.00 0.00 N ATOM 909 NH2 ARG A 70 -0.209 -19.332 -11.145 1.00 0.00 N ATOM 0 H ARG A 70 0.857 -12.625 -11.813 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.048 -12.354 -9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.858 -14.254 -11.316 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.753 -14.624 -10.734 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.054 -15.690 -8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.574 -14.818 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.762 -17.303 -9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.489 -16.226 -10.503 1.00 0.00 H new ATOM 0 HE ARG A 70 0.097 -16.602 -11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.455 -17.712 -12.752 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.122 -19.447 -12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.543 -19.159 -10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.393 -20.281 -11.471 1.00 0.00 H new ATOM 923 N SER A 71 2.082 -12.832 -8.763 1.00 0.00 N ATOM 924 CA SER A 71 3.109 -12.799 -7.635 1.00 0.00 C ATOM 925 C SER A 71 4.076 -11.636 -7.845 1.00 0.00 C ATOM 926 O SER A 71 4.230 -11.196 -8.968 1.00 0.00 O ATOM 927 CB SER A 71 3.915 -14.103 -7.698 1.00 0.00 C ATOM 928 OG SER A 71 3.308 -14.836 -8.751 1.00 0.00 O ATOM 0 H SER A 71 2.505 -12.943 -9.685 1.00 0.00 H new ATOM 0 HA SER A 71 2.602 -12.684 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.968 -13.911 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.867 -14.647 -6.755 1.00 0.00 H new ATOM 0 HG SER A 71 3.769 -15.694 -8.861 1.00 0.00 H new ATOM 934 N PHE A 72 4.658 -11.144 -6.739 1.00 0.00 N ATOM 935 CA PHE A 72 5.648 -9.980 -6.790 1.00 0.00 C ATOM 936 C PHE A 72 6.586 -9.979 -5.572 1.00 0.00 C ATOM 937 O PHE A 72 6.203 -10.404 -4.494 1.00 0.00 O ATOM 938 CB PHE A 72 4.873 -8.607 -6.882 1.00 0.00 C ATOM 939 CG PHE A 72 3.610 -8.534 -5.893 1.00 0.00 C ATOM 940 CD1 PHE A 72 3.745 -8.110 -4.538 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.290 -8.864 -6.320 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.650 -8.033 -3.709 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.224 -8.773 -5.450 1.00 0.00 C ATOM 944 CZ PHE A 72 1.405 -8.361 -4.159 1.00 0.00 C ATOM 0 H PHE A 72 4.485 -11.505 -5.801 1.00 0.00 H new ATOM 0 HA PHE A 72 6.262 -10.106 -7.682 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.559 -7.792 -6.648 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.535 -8.455 -7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.721 -7.846 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.123 -9.189 -7.336 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.778 -7.708 -2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.233 -9.031 -5.793 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.558 -8.295 -3.492 1.00 0.00 H new ATOM 954 N THR A 73 7.798 -9.484 -5.824 1.00 0.00 N ATOM 955 CA THR A 73 8.891 -9.375 -4.803 1.00 0.00 C ATOM 956 C THR A 73 8.545 -8.324 -3.714 1.00 0.00 C ATOM 957 O THR A 73 8.589 -7.131 -3.979 1.00 0.00 O ATOM 958 CB THR A 73 10.149 -8.959 -5.644 1.00 0.00 C ATOM 959 OG1 THR A 73 10.472 -10.131 -6.366 1.00 0.00 O ATOM 960 CG2 THR A 73 11.472 -8.666 -4.864 1.00 0.00 C ATOM 0 H THR A 73 8.071 -9.139 -6.744 1.00 0.00 H new ATOM 0 HA THR A 73 9.051 -10.303 -4.253 1.00 0.00 H new ATOM 0 HB THR A 73 9.874 -8.046 -6.172 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.256 -9.963 -6.929 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.257 -8.391 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.308 -7.846 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.775 -9.557 -4.314 1.00 0.00 H new ATOM 968 N GLY A 74 8.217 -8.827 -2.521 1.00 0.00 N ATOM 969 CA GLY A 74 7.852 -7.949 -1.337 1.00 0.00 C ATOM 970 C GLY A 74 9.110 -7.248 -0.788 1.00 0.00 C ATOM 971 O GLY A 74 9.806 -7.844 0.010 1.00 0.00 O ATOM 0 H GLY A 74 8.188 -9.827 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.115 -7.205 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.392 -8.553 -0.555 1.00 0.00 H new ATOM 975 N TYR A 75 9.296 -5.980 -1.183 1.00 0.00 N ATOM 976 CA TYR A 75 10.491 -5.142 -0.745 1.00 0.00 C ATOM 977 C TYR A 75 10.192 -4.289 0.514 1.00 0.00 C ATOM 978 O TYR A 75 9.502 -3.278 0.422 1.00 0.00 O ATOM 979 CB TYR A 75 10.839 -4.239 -1.976 1.00 0.00 C ATOM 980 CG TYR A 75 11.953 -3.129 -1.656 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.326 -3.468 -1.557 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.640 -1.746 -1.549 1.00 0.00 C ATOM 983 CE1 TYR A 75 14.289 -2.497 -1.379 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.637 -0.806 -1.374 1.00 0.00 C ATOM 985 CZ TYR A 75 13.956 -1.172 -1.287 1.00 0.00 C ATOM 986 OH TYR A 75 14.934 -0.216 -1.110 1.00 0.00 O ATOM 0 H TYR A 75 8.653 -5.487 -1.803 1.00 0.00 H new ATOM 0 HA TYR A 75 11.326 -5.780 -0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.189 -4.870 -2.793 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.932 -3.744 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.623 -4.504 -1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.610 -1.427 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.327 -2.788 -1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.372 0.239 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 75 14.520 0.671 -1.067 1.00 0.00 H new ATOM 996 N VAL A 76 10.718 -4.757 1.662 1.00 0.00 N ATOM 997 CA VAL A 76 10.537 -4.055 2.997 1.00 0.00 C ATOM 998 C VAL A 76 11.575 -2.876 2.936 1.00 0.00 C ATOM 999 O VAL A 76 12.781 -3.090 3.004 1.00 0.00 O ATOM 1000 CB VAL A 76 10.765 -5.109 4.229 1.00 0.00 C ATOM 1001 CG1 VAL A 76 10.177 -4.545 5.603 1.00 0.00 C ATOM 1002 CG2 VAL A 76 10.142 -6.544 3.898 1.00 0.00 C ATOM 0 H VAL A 76 11.272 -5.611 1.717 1.00 0.00 H new ATOM 0 HA VAL A 76 9.535 -3.667 3.177 1.00 0.00 H new ATOM 0 HB VAL A 76 11.842 -5.228 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.347 -5.272 6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.675 -3.609 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.107 -4.369 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.312 -7.217 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.071 -6.444 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.618 -6.950 3.005 1.00 0.00 H new ATOM 1055 N GLY A 80 14.700 -4.290 5.884 1.00 0.00 N ATOM 1056 CA GLY A 80 15.417 -5.098 4.811 1.00 0.00 C ATOM 1057 C GLY A 80 16.202 -6.306 5.482 1.00 0.00 C ATOM 1058 O GLY A 80 16.016 -6.485 6.679 1.00 0.00 O ATOM 0 HA2 GLY A 80 14.697 -5.478 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.111 -4.459 4.265 1.00 0.00 H new ATOM 1062 N PRO A 81 16.980 -7.211 4.752 1.00 0.00 N ATOM 1063 CA PRO A 81 17.145 -7.334 3.239 1.00 0.00 C ATOM 1064 C PRO A 81 15.883 -7.906 2.550 1.00 0.00 C ATOM 1065 O PRO A 81 14.976 -8.349 3.239 1.00 0.00 O ATOM 1066 CB PRO A 81 18.307 -8.359 3.062 1.00 0.00 C ATOM 1067 CG PRO A 81 18.783 -8.807 4.448 1.00 0.00 C ATOM 1068 CD PRO A 81 17.870 -8.175 5.492 1.00 0.00 C ATOM 0 HA PRO A 81 17.329 -6.357 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.968 -9.218 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 81 19.129 -7.906 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.755 -9.894 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.816 -8.502 4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.279 -8.936 6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.452 -7.658 6.255 1.00 0.00 H new ATOM 1076 N GLU A 82 15.870 -7.823 1.212 1.00 0.00 N ATOM 1077 CA GLU A 82 14.731 -8.325 0.352 1.00 0.00 C ATOM 1078 C GLU A 82 14.558 -9.872 0.518 1.00 0.00 C ATOM 1079 O GLU A 82 15.529 -10.603 0.361 1.00 0.00 O ATOM 1080 CB GLU A 82 15.159 -7.920 -1.118 1.00 0.00 C ATOM 1081 CG GLU A 82 14.129 -8.232 -2.252 1.00 0.00 C ATOM 1082 CD GLU A 82 14.589 -7.498 -3.519 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.434 -8.064 -4.196 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.066 -6.422 -3.745 1.00 0.00 O ATOM 0 H GLU A 82 16.634 -7.412 0.675 1.00 0.00 H new ATOM 0 HA GLU A 82 13.764 -7.900 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.368 -6.850 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.093 -8.430 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.072 -9.306 -2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.131 -7.904 -1.962 1.00 0.00 H new ATOM 1091 N VAL A 83 13.309 -10.294 0.817 1.00 0.00 N ATOM 1092 CA VAL A 83 12.951 -11.765 1.020 1.00 0.00 C ATOM 1093 C VAL A 83 12.762 -12.527 -0.333 1.00 0.00 C ATOM 1094 O VAL A 83 13.707 -13.189 -0.733 1.00 0.00 O ATOM 1095 CB VAL A 83 11.676 -11.922 2.024 1.00 0.00 C ATOM 1096 CG1 VAL A 83 12.142 -11.989 3.555 1.00 0.00 C ATOM 1097 CG2 VAL A 83 10.552 -10.796 1.830 1.00 0.00 C ATOM 0 H VAL A 83 12.517 -9.660 0.928 1.00 0.00 H new ATOM 0 HA VAL A 83 13.800 -12.247 1.505 1.00 0.00 H new ATOM 0 HB VAL A 83 11.211 -12.869 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.268 -12.094 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.801 -12.845 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.675 -11.074 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.738 -10.970 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.986 -9.813 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.166 -10.839 0.811 1.00 0.00 H new ATOM 1107 N GLY A 84 11.624 -12.396 -1.029 1.00 0.00 N ATOM 1108 CA GLY A 84 11.402 -13.112 -2.326 1.00 0.00 C ATOM 1109 C GLY A 84 9.929 -13.016 -2.731 1.00 0.00 C ATOM 1110 O GLY A 84 9.158 -12.291 -2.124 1.00 0.00 O ATOM 0 H GLY A 84 10.842 -11.812 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.031 -12.677 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.693 -14.158 -2.228 1.00 0.00 H new ATOM 1114 N ALA A 85 9.621 -13.769 -3.761 1.00 0.00 N ATOM 1115 CA ALA A 85 8.240 -13.854 -4.353 1.00 0.00 C ATOM 1116 C ALA A 85 7.217 -14.524 -3.422 1.00 0.00 C ATOM 1117 O ALA A 85 7.499 -15.592 -2.900 1.00 0.00 O ATOM 1118 CB ALA A 85 8.345 -14.725 -5.615 1.00 0.00 C ATOM 0 H ALA A 85 10.303 -14.357 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 85 7.896 -12.838 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.362 -14.814 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.038 -14.264 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.709 -15.716 -5.344 1.00 0.00 H new ATOM 1124 N VAL A 86 6.085 -13.813 -3.223 1.00 0.00 N ATOM 1125 CA VAL A 86 4.919 -14.259 -2.356 1.00 0.00 C ATOM 1126 C VAL A 86 3.641 -14.014 -3.196 1.00 0.00 C ATOM 1127 O VAL A 86 3.590 -13.027 -3.913 1.00 0.00 O ATOM 1128 CB VAL A 86 4.965 -13.472 -0.935 1.00 0.00 C ATOM 1129 CG1 VAL A 86 4.607 -11.915 -1.020 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.125 -14.217 0.202 1.00 0.00 C ATOM 0 H VAL A 86 5.932 -12.901 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 86 4.952 -15.315 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 86 6.015 -13.503 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.664 -11.474 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.316 -11.414 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.598 -11.795 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.188 -13.651 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.082 -14.293 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.531 -15.217 0.358 1.00 0.00 H new ATOM 1140 N ASP A 87 2.684 -14.941 -3.061 1.00 0.00 N ATOM 1141 CA ASP A 87 1.346 -14.902 -3.801 1.00 0.00 C ATOM 1142 C ASP A 87 0.186 -14.614 -2.845 1.00 0.00 C ATOM 1143 O ASP A 87 0.236 -15.041 -1.704 1.00 0.00 O ATOM 1144 CB ASP A 87 1.109 -16.287 -4.469 1.00 0.00 C ATOM 1145 CG ASP A 87 1.501 -17.445 -3.537 1.00 0.00 C ATOM 1146 OD1 ASP A 87 0.646 -17.834 -2.757 1.00 0.00 O ATOM 1147 OD2 ASP A 87 2.631 -17.889 -3.672 1.00 0.00 O ATOM 0 H ASP A 87 2.782 -15.749 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 87 1.385 -14.106 -4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.059 -16.382 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.688 -16.350 -5.390 1.00 0.00 H new ATOM 1152 N CYS A 88 -0.821 -13.892 -3.365 1.00 0.00 N ATOM 1153 CA CYS A 88 -2.057 -13.504 -2.580 1.00 0.00 C ATOM 1154 C CYS A 88 -3.027 -14.723 -2.374 1.00 0.00 C ATOM 1155 O CYS A 88 -4.018 -14.885 -3.072 1.00 0.00 O ATOM 1156 CB CYS A 88 -2.739 -12.344 -3.384 1.00 0.00 C ATOM 1157 SG CYS A 88 -1.788 -10.818 -3.625 1.00 0.00 S ATOM 0 H CYS A 88 -0.825 -13.553 -4.327 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.793 -13.178 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -3.010 -12.730 -4.367 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -3.668 -12.084 -2.877 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.668 -15.567 -1.399 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.458 -16.817 -1.024 1.00 0.00 C ATOM 1164 C ASP A 89 -2.961 -17.345 0.322 1.00 0.00 C ATOM 1165 O ASP A 89 -3.761 -17.769 1.141 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.218 -17.974 -2.043 1.00 0.00 C ATOM 1167 CG ASP A 89 -4.366 -18.096 -3.061 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -5.358 -18.711 -2.693 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -4.175 -17.597 -4.156 1.00 0.00 O ATOM 0 H ASP A 89 -1.831 -15.432 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.511 -16.535 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.281 -17.802 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.111 -18.915 -1.504 1.00 0.00 H new ATOM 1174 N THR A 90 -1.651 -17.235 0.511 1.00 0.00 N ATOM 1175 CA THR A 90 -0.958 -17.705 1.778 1.00 0.00 C ATOM 1176 C THR A 90 -1.125 -16.678 2.905 1.00 0.00 C ATOM 1177 O THR A 90 -1.137 -17.064 4.069 1.00 0.00 O ATOM 1178 CB THR A 90 0.575 -17.826 1.499 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.901 -16.728 0.668 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.997 -19.071 0.657 1.00 0.00 C ATOM 0 H THR A 90 -1.018 -16.829 -0.178 1.00 0.00 H new ATOM 0 HA THR A 90 -1.397 -18.658 2.072 1.00 0.00 H new ATOM 0 HB THR A 90 1.067 -17.883 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.858 -16.749 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.078 -19.066 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.703 -19.981 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.505 -19.036 -0.315 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.265 -15.408 2.518 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.437 -14.279 3.514 1.00 0.00 C ATOM 1190 C ALA A 91 -2.830 -14.396 4.279 1.00 0.00 C ATOM 1191 O ALA A 91 -3.773 -14.705 3.568 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.492 -12.971 2.707 1.00 0.00 C ATOM 0 H ALA A 91 -1.267 -15.110 1.543 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.620 -14.312 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.616 -12.129 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.566 -12.851 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.334 -13.005 2.015 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.011 -14.145 5.655 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.372 -14.282 6.296 1.00 0.00 C ATOM 1200 C PRO A 92 -5.324 -13.126 5.929 1.00 0.00 C ATOM 1201 O PRO A 92 -6.483 -13.373 5.635 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.098 -14.219 7.812 1.00 0.00 C ATOM 1203 CG PRO A 92 -2.730 -13.550 7.997 1.00 0.00 C ATOM 1204 CD PRO A 92 -1.972 -13.713 6.676 1.00 0.00 C ATOM 0 HA PRO A 92 -4.853 -15.201 5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.877 -13.650 8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.099 -15.219 8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.847 -12.496 8.248 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.181 -14.014 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.497 -12.778 6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.181 -14.457 6.768 1.00 0.00 H new ATOM 1212 N GLY A 93 -4.786 -11.905 5.950 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.575 -10.659 5.623 1.00 0.00 C ATOM 1214 C GLY A 93 -5.917 -10.560 4.135 1.00 0.00 C ATOM 1215 O GLY A 93 -7.005 -10.124 3.793 1.00 0.00 O ATOM 0 H GLY A 93 -3.810 -11.726 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.496 -10.652 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.002 -9.781 5.921 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.939 -10.924 3.307 1.00 0.00 N ATOM 1220 CA GLY A 94 -5.077 -10.898 1.796 1.00 0.00 C ATOM 1221 C GLY A 94 -4.785 -9.495 1.223 1.00 0.00 C ATOM 1222 O GLY A 94 -4.945 -8.493 1.908 1.00 0.00 O ATOM 0 H GLY A 94 -4.027 -11.247 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.392 -11.622 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.086 -11.203 1.517 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.365 -9.494 -0.037 1.00 0.00 N ATOM 1227 CA CYS A 95 -4.023 -8.230 -0.784 1.00 0.00 C ATOM 1228 C CYS A 95 -5.284 -7.390 -1.093 1.00 0.00 C ATOM 1229 O CYS A 95 -6.327 -7.958 -1.388 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.346 -8.682 -2.089 1.00 0.00 C ATOM 1231 SG CYS A 95 -1.950 -9.816 -1.880 1.00 0.00 S ATOM 0 H CYS A 95 -4.244 -10.344 -0.588 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.372 -7.593 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.093 -9.164 -2.719 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.999 -7.798 -2.624 1.00 0.00 H new ATOM 1236 N GLU A 96 -5.134 -6.062 -0.954 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.238 -5.038 -1.200 1.00 0.00 C ATOM 1238 C GLU A 96 -5.605 -3.766 -1.785 1.00 0.00 C ATOM 1239 O GLU A 96 -4.550 -3.379 -1.320 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.816 -4.583 0.184 1.00 0.00 C ATOM 1241 CG GLU A 96 -8.016 -5.409 0.716 1.00 0.00 C ATOM 1242 CD GLU A 96 -8.144 -5.150 2.219 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.683 -4.106 2.544 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -7.693 -6.012 2.956 1.00 0.00 O ATOM 0 H GLU A 96 -4.252 -5.637 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.992 -5.478 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.015 -4.623 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.123 -3.540 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.933 -5.123 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.861 -6.471 0.525 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.281 -3.163 -2.775 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.796 -1.897 -3.452 1.00 0.00 C ATOM 1253 C ILE A 97 -6.199 -0.778 -2.461 1.00 0.00 C ATOM 1254 O ILE A 97 -7.279 -0.859 -1.894 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.536 -1.689 -4.882 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.775 -3.044 -5.736 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -5.823 -0.541 -5.779 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.581 -4.055 -5.880 1.00 0.00 C ATOM 0 H ILE A 97 -7.167 -3.512 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.727 -1.913 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.535 -1.345 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.610 -3.579 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.088 -2.754 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.353 -0.438 -6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.849 0.408 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.787 -0.821 -5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.898 -4.909 -6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.742 -3.560 -6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.273 -4.398 -4.892 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.249 0.149 -2.186 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.449 1.337 -1.238 1.00 0.00 C ATOM 1272 C VAL A 98 -4.847 2.552 -1.993 1.00 0.00 C ATOM 1273 O VAL A 98 -3.786 2.435 -2.594 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.690 1.165 0.201 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -5.227 2.201 1.319 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.791 -0.316 0.747 1.00 0.00 C ATOM 0 H VAL A 98 -4.317 0.119 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.507 1.442 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.642 1.397 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.688 2.041 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.064 3.223 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.292 2.039 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.274 -0.387 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.839 -0.584 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.329 -0.999 0.034 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.625 3.639 -1.975 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.296 4.979 -2.625 1.00 0.00 C ATOM 1288 C VAL A 99 -5.206 5.908 -1.391 1.00 0.00 C ATOM 1289 O VAL A 99 -5.974 5.705 -0.463 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.525 5.404 -3.602 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.550 6.974 -3.979 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.528 4.515 -4.928 1.00 0.00 C ATOM 0 H VAL A 99 -6.530 3.645 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.396 4.996 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.434 5.214 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.398 7.178 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.644 7.565 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.625 7.240 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.358 4.817 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.589 4.656 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.639 3.464 -4.661 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.292 6.880 -1.408 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.148 7.831 -0.231 1.00 0.00 C ATOM 1304 C GLY A 100 -3.056 8.879 -0.483 1.00 0.00 C ATOM 1305 O GLY A 100 -1.982 8.527 -0.944 1.00 0.00 O ATOM 0 H GLY A 100 -3.647 7.052 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.099 8.332 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.909 7.264 0.669 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.372 10.133 -0.107 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.430 11.311 -0.274 1.00 0.00 C ATOM 1311 C GLY A 101 -1.493 11.482 0.922 1.00 0.00 C ATOM 1312 O GLY A 101 -1.316 10.565 1.709 1.00 0.00 O ATOM 0 H GLY A 101 -4.266 10.380 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.838 11.174 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.013 12.222 -0.409 1.00 0.00 H new ATOM 1316 N ASN A 102 -0.953 12.701 1.018 1.00 0.00 N ATOM 1317 CA ASN A 102 0.005 13.093 2.121 1.00 0.00 C ATOM 1318 C ASN A 102 -0.680 13.211 3.499 1.00 0.00 C ATOM 1319 O ASN A 102 -0.010 13.040 4.508 1.00 0.00 O ATOM 1320 CB ASN A 102 0.655 14.453 1.746 1.00 0.00 C ATOM 1321 CG ASN A 102 -0.398 15.538 1.471 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.793 16.272 2.356 1.00 0.00 O ATOM 1323 ND2 ASN A 102 -0.862 15.684 0.259 1.00 0.00 N ATOM 0 H ASN A 102 -1.148 13.452 0.356 1.00 0.00 H new ATOM 0 HA ASN A 102 0.754 12.306 2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.308 14.778 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.282 14.324 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -1.551 16.410 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.536 15.072 -0.489 1.00 0.00 H new ATOM 1330 N THR A 103 -1.998 13.477 3.489 1.00 0.00 N ATOM 1331 CA THR A 103 -2.816 13.623 4.767 1.00 0.00 C ATOM 1332 C THR A 103 -2.986 12.259 5.454 1.00 0.00 C ATOM 1333 O THR A 103 -3.070 12.206 6.673 1.00 0.00 O ATOM 1334 CB THR A 103 -4.242 14.148 4.414 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.580 13.534 3.185 1.00 0.00 O ATOM 1336 CG2 THR A 103 -4.316 15.673 4.105 1.00 0.00 C ATOM 0 H THR A 103 -2.540 13.599 2.634 1.00 0.00 H new ATOM 0 HA THR A 103 -2.294 14.315 5.428 1.00 0.00 H new ATOM 0 HB THR A 103 -4.882 13.936 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.474 13.825 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.345 15.947 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.979 16.237 4.975 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.676 15.903 3.253 1.00 0.00 H new ATOM 1344 N GLY A 104 -3.056 11.216 4.620 1.00 0.00 N ATOM 1345 CA GLY A 104 -3.215 9.779 5.076 1.00 0.00 C ATOM 1346 C GLY A 104 -4.670 9.294 5.046 1.00 0.00 C ATOM 1347 O GLY A 104 -4.939 8.258 5.633 1.00 0.00 O ATOM 0 H GLY A 104 -3.007 11.315 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.610 9.133 4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.827 9.681 6.090 1.00 0.00 H new ATOM 1351 N GLU A 105 -5.550 10.049 4.371 1.00 0.00 N ATOM 1352 CA GLU A 105 -7.018 9.670 4.264 1.00 0.00 C ATOM 1353 C GLU A 105 -7.117 8.459 3.300 1.00 0.00 C ATOM 1354 O GLU A 105 -7.023 8.605 2.089 1.00 0.00 O ATOM 1355 CB GLU A 105 -7.821 10.895 3.681 1.00 0.00 C ATOM 1356 CG GLU A 105 -8.170 11.966 4.757 1.00 0.00 C ATOM 1357 CD GLU A 105 -8.525 13.272 4.045 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -9.637 13.335 3.546 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -7.664 14.133 4.045 1.00 0.00 O ATOM 0 H GLU A 105 -5.304 10.914 3.890 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.433 9.410 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.235 11.362 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.743 10.533 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.006 11.629 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.325 12.118 5.428 1.00 0.00 H new ATOM 1366 N TYR A 106 -7.304 7.286 3.901 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.420 5.978 3.137 1.00 0.00 C ATOM 1368 C TYR A 106 -8.770 5.829 2.384 1.00 0.00 C ATOM 1369 O TYR A 106 -9.664 6.648 2.522 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.315 4.811 4.174 1.00 0.00 C ATOM 1371 CG TYR A 106 -6.226 5.118 5.295 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -4.846 4.978 5.023 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -6.579 5.485 6.622 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -3.904 5.175 6.012 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -5.605 5.674 7.583 1.00 0.00 C ATOM 1376 CZ TYR A 106 -4.273 5.522 7.288 1.00 0.00 C ATOM 1377 OH TYR A 106 -3.316 5.716 8.263 1.00 0.00 O ATOM 0 H TYR A 106 -7.383 7.181 4.913 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.625 5.957 2.391 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.286 4.652 4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.056 3.887 3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -4.524 4.713 4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.619 5.617 6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.857 5.054 5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.897 5.947 8.586 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.753 5.958 9.106 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.855 4.759 1.599 1.00 0.00 N ATOM 1388 CA GLY A 107 -10.079 4.433 0.787 1.00 0.00 C ATOM 1389 C GLY A 107 -9.870 3.061 0.129 1.00 0.00 C ATOM 1390 O GLY A 107 -9.525 2.985 -1.040 1.00 0.00 O ATOM 0 H GLY A 107 -8.098 4.084 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.964 4.418 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.245 5.197 0.028 1.00 0.00 H new ATOM 1394 N ASN A 108 -10.097 2.026 0.932 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.946 0.588 0.492 1.00 0.00 C ATOM 1396 C ASN A 108 -10.994 0.151 -0.548 1.00 0.00 C ATOM 1397 O ASN A 108 -12.062 0.736 -0.612 1.00 0.00 O ATOM 1398 CB ASN A 108 -10.132 -0.283 1.747 1.00 0.00 C ATOM 1399 CG ASN A 108 -9.151 0.169 2.832 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -7.987 -0.178 2.813 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -9.580 0.942 3.791 1.00 0.00 N ATOM 0 H ASN A 108 -10.390 2.128 1.904 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.968 0.478 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.156 -0.201 2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.963 -1.332 1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -8.939 1.253 4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.557 1.236 3.811 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.617 -0.861 -1.349 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.504 -1.445 -2.441 1.00 0.00 C ATOM 1410 C ALA A 109 -10.933 -2.831 -2.855 1.00 0.00 C ATOM 1411 O ALA A 109 -10.002 -2.919 -3.650 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.543 -0.480 -3.669 1.00 0.00 C ATOM 0 H ALA A 109 -9.705 -1.312 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.522 -1.566 -2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.179 -0.905 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.943 0.486 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.534 -0.347 -4.059 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.496 -3.878 -2.244 1.00 0.00 N ATOM 1419 CA ALA A 110 -11.079 -5.307 -2.510 1.00 0.00 C ATOM 1420 C ALA A 110 -11.484 -5.823 -3.897 1.00 0.00 C ATOM 1421 O ALA A 110 -12.413 -5.303 -4.494 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.788 -6.181 -1.468 1.00 0.00 C ATOM 0 H ALA A 110 -12.245 -3.789 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.991 -5.349 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.515 -7.225 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.486 -5.871 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.867 -6.069 -1.573 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.715 -6.841 -4.334 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.857 -7.577 -5.671 1.00 0.00 C ATOM 1430 C ILE A 111 -11.136 -9.083 -5.342 1.00 0.00 C ATOM 1431 O ILE A 111 -11.097 -9.414 -4.167 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.485 -7.362 -6.524 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -8.125 -7.574 -5.626 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.510 -5.893 -7.200 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.892 -8.144 -6.410 1.00 0.00 C ATOM 0 H ILE A 111 -9.946 -7.208 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.679 -7.198 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.450 -8.130 -7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.845 -6.616 -5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.355 -8.248 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.595 -5.741 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.371 -5.812 -7.863 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.580 -5.135 -6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.045 -8.248 -5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.145 -9.119 -6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.628 -7.462 -7.218 1.00 0.00 H new ATOM 1447 N SER A 112 -11.441 -9.925 -6.357 1.00 0.00 N ATOM 1448 CA SER A 112 -11.725 -11.408 -6.140 1.00 0.00 C ATOM 1449 C SER A 112 -11.431 -12.206 -7.425 1.00 0.00 C ATOM 1450 O SER A 112 -12.087 -11.991 -8.430 1.00 0.00 O ATOM 1451 CB SER A 112 -13.221 -11.580 -5.795 1.00 0.00 C ATOM 1452 OG SER A 112 -13.300 -11.339 -4.398 1.00 0.00 O ATOM 0 H SER A 112 -11.502 -9.631 -7.332 1.00 0.00 H new ATOM 0 HA SER A 112 -11.091 -11.776 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.839 -10.877 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.572 -12.581 -6.044 1.00 0.00 H new ATOM 0 HG SER A 112 -12.569 -10.745 -4.127 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.439 -13.103 -7.341 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.023 -13.970 -8.507 1.00 0.00 C ATOM 1460 C PHE A 113 -11.100 -15.019 -8.829 1.00 0.00 C ATOM 1461 O PHE A 113 -11.820 -15.438 -7.932 1.00 0.00 O ATOM 1462 CB PHE A 113 -8.733 -14.731 -8.095 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.557 -13.714 -7.731 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -6.706 -13.178 -8.735 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.275 -13.330 -6.390 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -5.660 -12.342 -8.405 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.219 -12.491 -6.103 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.419 -12.002 -7.102 1.00 0.00 C ATOM 0 H PHE A 113 -9.898 -13.264 -6.492 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.869 -13.337 -9.381 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.943 -15.371 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.416 -15.382 -8.909 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.881 -13.429 -9.771 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.896 -13.700 -5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.023 -11.951 -9.185 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.020 -12.216 -5.078 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.596 -11.346 -6.860 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.170 -15.394 -10.105 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.167 -16.415 -10.602 1.00 0.00 C ATOM 1480 C GLY A 114 -11.836 -17.823 -10.086 1.00 0.00 C ATOM 1481 O GLY A 114 -12.776 -18.487 -9.681 1.00 0.00 O ATOM 1482 OXT GLY A 114 -10.661 -18.151 -10.127 1.00 0.00 O ATOM 0 H GLY A 114 -10.561 -15.022 -10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -13.169 -16.134 -10.278 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.173 -16.418 -11.692 1.00 0.00 H new