USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 740 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 63 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.18) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 75 ASN : amide:sc= -2.46 K(o=-2.5,f=-8!) USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -48:sc= 0.64 USER MOD Single : A 9 GLN : amide:sc=-0.000954 K(o=-0.00095,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= -0.0196 K(o=-0.02,f=-0.57) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 146:sc= -0.307 (180deg=-1.48!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 32 MET CE :methyl 170:sc= -0.125 (180deg=-0.331) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 70:sc= -1.13 USER MOD Single : A 41 SER OG : rot -160:sc= -0.703 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -30:sc= -1.34 USER MOD Single : A 53 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-2.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0689 X(o=-0.069,f=-0.35) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 69 MET CE :methyl 174:sc= -2.34! (180deg=-2.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0793 F(o=-0.88,f=-0.079) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.6!) USER MOD Single : A 92 GLN : amide:sc=-0.00214 X(o=-0.0021,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 96 SER OG : rot 50:sc= 0.0234 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.033 37.358 13.543 1.00 0.00 N ATOM 2 CA GLY A 1 -1.814 36.528 13.340 1.00 0.00 C ATOM 3 C GLY A 1 -0.537 37.300 13.607 1.00 0.00 C ATOM 4 O GLY A 1 0.089 37.818 12.683 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.879 36.786 13.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.063 37.697 14.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.010 38.173 12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.855 35.660 13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.800 36.152 12.317 1.00 0.00 H new ATOM 10 N SER A 2 -0.148 37.376 14.877 1.00 0.00 N ATOM 11 CA SER A 2 1.062 38.089 15.264 1.00 0.00 C ATOM 12 C SER A 2 2.221 37.118 15.479 1.00 0.00 C ATOM 13 O SER A 2 2.928 37.190 16.486 1.00 0.00 O ATOM 14 CB SER A 2 0.816 38.900 16.538 1.00 0.00 C ATOM 15 OG SER A 2 0.274 38.087 17.564 1.00 0.00 O ATOM 0 H SER A 2 -0.654 36.952 15.654 1.00 0.00 H new ATOM 0 HA SER A 2 1.328 38.769 14.455 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.752 39.343 16.877 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.134 39.723 16.323 1.00 0.00 H new ATOM 0 HG SER A 2 0.128 38.629 18.368 1.00 0.00 H new ATOM 21 N SER A 3 2.410 36.211 14.527 1.00 0.00 N ATOM 22 CA SER A 3 3.482 35.227 14.610 1.00 0.00 C ATOM 23 C SER A 3 4.690 35.665 13.788 1.00 0.00 C ATOM 24 O SER A 3 5.395 34.836 13.213 1.00 0.00 O ATOM 25 CB SER A 3 2.988 33.863 14.125 1.00 0.00 C ATOM 26 OG SER A 3 3.960 32.857 14.352 1.00 0.00 O ATOM 0 H SER A 3 1.834 36.137 13.688 1.00 0.00 H new ATOM 0 HA SER A 3 3.787 35.146 15.653 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.064 33.603 14.641 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.755 33.914 13.061 1.00 0.00 H new ATOM 0 HG SER A 3 4.834 33.169 14.037 1.00 0.00 H new ATOM 32 N GLY A 4 4.922 36.972 13.738 1.00 0.00 N ATOM 33 CA GLY A 4 6.045 37.497 12.983 1.00 0.00 C ATOM 34 C GLY A 4 5.722 37.682 11.513 1.00 0.00 C ATOM 35 O GLY A 4 4.572 37.534 11.100 1.00 0.00 O ATOM 0 H GLY A 4 4.353 37.677 14.206 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.349 38.454 13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.894 36.820 13.083 1.00 0.00 H new ATOM 39 N SER A 5 6.740 38.007 10.723 1.00 0.00 N ATOM 40 CA SER A 5 6.559 38.214 9.290 1.00 0.00 C ATOM 41 C SER A 5 7.037 36.998 8.502 1.00 0.00 C ATOM 42 O SER A 5 8.063 36.400 8.825 1.00 0.00 O ATOM 43 CB SER A 5 7.317 39.462 8.836 1.00 0.00 C ATOM 44 OG SER A 5 7.451 39.492 7.425 1.00 0.00 O ATOM 0 H SER A 5 7.698 38.133 11.050 1.00 0.00 H new ATOM 0 HA SER A 5 5.495 38.354 9.098 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.790 40.354 9.173 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.304 39.481 9.299 1.00 0.00 H new ATOM 0 HG SER A 5 7.938 40.300 7.160 1.00 0.00 H new ATOM 50 N SER A 6 6.286 36.641 7.465 1.00 0.00 N ATOM 51 CA SER A 6 6.632 35.498 6.628 1.00 0.00 C ATOM 52 C SER A 6 6.665 34.213 7.449 1.00 0.00 C ATOM 53 O SER A 6 7.606 33.970 8.205 1.00 0.00 O ATOM 54 CB SER A 6 7.989 35.722 5.957 1.00 0.00 C ATOM 55 OG SER A 6 8.071 37.021 5.395 1.00 0.00 O ATOM 0 H SER A 6 5.434 37.127 7.184 1.00 0.00 H new ATOM 0 HA SER A 6 5.866 35.398 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.786 35.587 6.688 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.141 34.975 5.178 1.00 0.00 H new ATOM 0 HG SER A 6 8.948 37.140 4.974 1.00 0.00 H new ATOM 61 N GLY A 7 5.630 33.392 7.295 1.00 0.00 N ATOM 62 CA GLY A 7 5.561 32.142 8.028 1.00 0.00 C ATOM 63 C GLY A 7 5.036 31.001 7.179 1.00 0.00 C ATOM 64 O GLY A 7 4.027 30.380 7.516 1.00 0.00 O ATOM 0 H GLY A 7 4.839 33.571 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.553 31.887 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.917 32.270 8.898 1.00 0.00 H new ATOM 68 N LEU A 8 5.720 30.724 6.074 1.00 0.00 N ATOM 69 CA LEU A 8 5.318 29.650 5.174 1.00 0.00 C ATOM 70 C LEU A 8 6.245 28.446 5.313 1.00 0.00 C ATOM 71 O LEU A 8 7.419 28.509 4.947 1.00 0.00 O ATOM 72 CB LEU A 8 5.315 30.144 3.726 1.00 0.00 C ATOM 73 CG LEU A 8 4.148 29.646 2.872 1.00 0.00 C ATOM 74 CD1 LEU A 8 3.945 30.548 1.665 1.00 0.00 C ATOM 75 CD2 LEU A 8 4.387 28.209 2.433 1.00 0.00 C ATOM 0 H LEU A 8 6.556 31.229 5.780 1.00 0.00 H new ATOM 0 HA LEU A 8 4.309 29.340 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.302 31.234 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.248 29.838 3.252 1.00 0.00 H new ATOM 0 HG LEU A 8 3.241 29.676 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.110 30.177 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.729 31.562 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.850 30.552 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.548 27.870 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.304 28.156 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.481 27.571 3.312 1.00 0.00 H new ATOM 87 N GLN A 9 5.709 27.352 5.843 1.00 0.00 N ATOM 88 CA GLN A 9 6.489 26.133 6.029 1.00 0.00 C ATOM 89 C GLN A 9 5.895 24.980 5.226 1.00 0.00 C ATOM 90 O GLN A 9 4.721 24.644 5.377 1.00 0.00 O ATOM 91 CB GLN A 9 6.546 25.761 7.512 1.00 0.00 C ATOM 92 CG GLN A 9 7.822 25.035 7.907 1.00 0.00 C ATOM 93 CD GLN A 9 8.973 25.984 8.178 1.00 0.00 C ATOM 94 OE1 GLN A 9 8.900 27.172 7.863 1.00 0.00 O ATOM 95 NE2 GLN A 9 10.045 25.464 8.764 1.00 0.00 N ATOM 0 H GLN A 9 4.739 27.284 6.151 1.00 0.00 H new ATOM 0 HA GLN A 9 7.501 26.320 5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.454 26.668 8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.690 25.131 7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.633 24.435 8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.104 24.345 7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.063 24.474 9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.851 26.055 8.970 1.00 0.00 H new ATOM 104 N GLN A 10 6.716 24.377 4.373 1.00 0.00 N ATOM 105 CA GLN A 10 6.274 23.261 3.546 1.00 0.00 C ATOM 106 C GLN A 10 6.022 22.020 4.396 1.00 0.00 C ATOM 107 O GLN A 10 6.504 21.921 5.525 1.00 0.00 O ATOM 108 CB GLN A 10 7.314 22.955 2.465 1.00 0.00 C ATOM 109 CG GLN A 10 6.730 22.866 1.065 1.00 0.00 C ATOM 110 CD GLN A 10 7.668 23.413 0.006 1.00 0.00 C ATOM 111 OE1 GLN A 10 8.887 23.406 0.177 1.00 0.00 O ATOM 112 NE2 GLN A 10 7.102 23.889 -1.097 1.00 0.00 N ATOM 0 H GLN A 10 7.691 24.643 4.236 1.00 0.00 H new ATOM 0 HA GLN A 10 5.337 23.545 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.081 23.730 2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.808 22.013 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.498 21.826 0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.790 23.417 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.087 23.875 -1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.682 24.269 -1.845 1.00 0.00 H new ATOM 121 N GLN A 11 5.265 21.075 3.848 1.00 0.00 N ATOM 122 CA GLN A 11 4.951 19.840 4.557 1.00 0.00 C ATOM 123 C GLN A 11 4.173 20.130 5.837 1.00 0.00 C ATOM 124 O GLN A 11 4.694 20.749 6.765 1.00 0.00 O ATOM 125 CB GLN A 11 6.234 19.074 4.886 1.00 0.00 C ATOM 126 CG GLN A 11 6.141 17.583 4.610 1.00 0.00 C ATOM 127 CD GLN A 11 6.524 17.228 3.187 1.00 0.00 C ATOM 128 OE1 GLN A 11 6.444 18.061 2.285 1.00 0.00 O ATOM 129 NE2 GLN A 11 6.944 15.985 2.979 1.00 0.00 N ATOM 0 H GLN A 11 4.858 21.141 2.915 1.00 0.00 H new ATOM 0 HA GLN A 11 4.328 19.226 3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.056 19.492 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.478 19.226 5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.792 17.048 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.123 17.244 4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.995 15.327 3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.216 15.689 2.042 1.00 0.00 H new ATOM 138 N GLU A 12 2.923 19.680 5.879 1.00 0.00 N ATOM 139 CA GLU A 12 2.073 19.891 7.045 1.00 0.00 C ATOM 140 C GLU A 12 1.209 18.665 7.318 1.00 0.00 C ATOM 141 O GLU A 12 0.650 18.069 6.397 1.00 0.00 O ATOM 142 CB GLU A 12 1.186 21.120 6.839 1.00 0.00 C ATOM 143 CG GLU A 12 1.943 22.340 6.343 1.00 0.00 C ATOM 144 CD GLU A 12 1.020 23.438 5.849 1.00 0.00 C ATOM 145 OE1 GLU A 12 0.095 23.128 5.067 1.00 0.00 O ATOM 146 OE2 GLU A 12 1.221 24.606 6.243 1.00 0.00 O ATOM 0 H GLU A 12 2.476 19.167 5.119 1.00 0.00 H new ATOM 0 HA GLU A 12 2.717 20.057 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.400 20.875 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.695 21.365 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.566 22.729 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.614 22.044 5.536 1.00 0.00 H new ATOM 153 N GLU A 13 1.102 18.294 8.589 1.00 0.00 N ATOM 154 CA GLU A 13 0.304 17.138 8.985 1.00 0.00 C ATOM 155 C GLU A 13 0.818 15.868 8.316 1.00 0.00 C ATOM 156 O GLU A 13 1.607 15.925 7.373 1.00 0.00 O ATOM 157 CB GLU A 13 -1.166 17.360 8.623 1.00 0.00 C ATOM 158 CG GLU A 13 -1.909 18.245 9.610 1.00 0.00 C ATOM 159 CD GLU A 13 -3.355 17.829 9.790 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.209 18.295 9.008 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.634 17.038 10.716 1.00 0.00 O ATOM 0 H GLU A 13 1.558 18.777 9.363 1.00 0.00 H new ATOM 0 HA GLU A 13 0.392 17.019 10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.223 17.808 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.667 16.394 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.402 18.212 10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.872 19.278 9.265 1.00 0.00 H new ATOM 168 N GLU A 14 0.364 14.720 8.809 1.00 0.00 N ATOM 169 CA GLU A 14 0.777 13.435 8.259 1.00 0.00 C ATOM 170 C GLU A 14 0.066 13.156 6.938 1.00 0.00 C ATOM 171 O GLU A 14 -1.157 13.261 6.847 1.00 0.00 O ATOM 172 CB GLU A 14 0.485 12.311 9.256 1.00 0.00 C ATOM 173 CG GLU A 14 1.641 12.018 10.198 1.00 0.00 C ATOM 174 CD GLU A 14 1.185 11.775 11.624 1.00 0.00 C ATOM 175 OE1 GLU A 14 0.607 10.701 11.887 1.00 0.00 O ATOM 176 OE2 GLU A 14 1.406 12.661 12.476 1.00 0.00 O ATOM 0 H GLU A 14 -0.290 14.654 9.589 1.00 0.00 H new ATOM 0 HA GLU A 14 1.850 13.476 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.393 12.577 9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.237 11.404 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.184 11.143 9.840 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.339 12.855 10.181 1.00 0.00 H new ATOM 183 N THR A 15 0.840 12.800 5.919 1.00 0.00 N ATOM 184 CA THR A 15 0.283 12.507 4.602 1.00 0.00 C ATOM 185 C THR A 15 1.265 11.693 3.764 1.00 0.00 C ATOM 186 O THR A 15 0.882 10.723 3.111 1.00 0.00 O ATOM 187 CB THR A 15 -0.072 13.805 3.875 1.00 0.00 C ATOM 188 OG1 THR A 15 0.833 14.837 4.223 1.00 0.00 O ATOM 189 CG2 THR A 15 -1.470 14.298 4.180 1.00 0.00 C ATOM 0 H THR A 15 1.854 12.707 5.979 1.00 0.00 H new ATOM 0 HA THR A 15 -0.623 11.917 4.742 1.00 0.00 H new ATOM 0 HB THR A 15 -0.012 13.568 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.591 15.659 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.658 15.222 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.196 13.543 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.565 14.485 5.250 1.00 0.00 H new ATOM 197 N TYR A 16 2.531 12.098 3.786 1.00 0.00 N ATOM 198 CA TYR A 16 3.568 11.407 3.026 1.00 0.00 C ATOM 199 C TYR A 16 3.268 11.450 1.531 1.00 0.00 C ATOM 200 O TYR A 16 2.634 10.544 0.990 1.00 0.00 O ATOM 201 CB TYR A 16 3.691 9.956 3.492 1.00 0.00 C ATOM 202 CG TYR A 16 4.339 9.807 4.851 1.00 0.00 C ATOM 203 CD1 TYR A 16 3.587 9.907 6.014 1.00 0.00 C ATOM 204 CD2 TYR A 16 5.702 9.567 4.969 1.00 0.00 C ATOM 205 CE1 TYR A 16 4.175 9.771 7.257 1.00 0.00 C ATOM 206 CE2 TYR A 16 6.298 9.430 6.207 1.00 0.00 C ATOM 207 CZ TYR A 16 5.530 9.533 7.349 1.00 0.00 C ATOM 208 OH TYR A 16 6.119 9.397 8.585 1.00 0.00 O ATOM 0 H TYR A 16 2.864 12.900 4.321 1.00 0.00 H new ATOM 0 HA TYR A 16 4.514 11.919 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.698 9.508 3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.272 9.396 2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.526 10.094 5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.306 9.486 4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.576 9.851 8.152 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.359 9.243 6.281 1.00 0.00 H new ATOM 0 HH TYR A 16 5.470 9.025 9.218 1.00 0.00 H new ATOM 218 N ALA A 17 3.729 12.506 0.870 1.00 0.00 N ATOM 219 CA ALA A 17 3.512 12.666 -0.563 1.00 0.00 C ATOM 220 C ALA A 17 4.678 12.093 -1.361 1.00 0.00 C ATOM 221 O ALA A 17 4.491 11.551 -2.450 1.00 0.00 O ATOM 222 CB ALA A 17 3.306 14.133 -0.905 1.00 0.00 C ATOM 0 H ALA A 17 4.256 13.264 1.304 1.00 0.00 H new ATOM 0 HA ALA A 17 2.613 12.112 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.145 14.237 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.436 14.513 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.189 14.702 -0.613 1.00 0.00 H new ATOM 228 N ASP A 18 5.881 12.215 -0.809 1.00 0.00 N ATOM 229 CA ASP A 18 7.079 11.709 -1.468 1.00 0.00 C ATOM 230 C ASP A 18 6.990 10.199 -1.674 1.00 0.00 C ATOM 231 O ASP A 18 7.545 9.660 -2.631 1.00 0.00 O ATOM 232 CB ASP A 18 8.322 12.050 -0.645 1.00 0.00 C ATOM 233 CG ASP A 18 8.610 13.538 -0.623 1.00 0.00 C ATOM 234 OD1 ASP A 18 9.089 14.066 -1.648 1.00 0.00 O ATOM 235 OD2 ASP A 18 8.356 14.177 0.421 1.00 0.00 O ATOM 0 H ASP A 18 6.052 12.660 0.093 1.00 0.00 H new ATOM 0 HA ASP A 18 7.156 12.187 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.187 11.694 0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.183 11.522 -1.056 1.00 0.00 H new ATOM 240 N ALA A 19 6.288 9.524 -0.770 1.00 0.00 N ATOM 241 CA ALA A 19 6.126 8.078 -0.851 1.00 0.00 C ATOM 242 C ALA A 19 5.470 7.671 -2.166 1.00 0.00 C ATOM 243 O ALA A 19 4.616 8.385 -2.692 1.00 0.00 O ATOM 244 CB ALA A 19 5.307 7.571 0.328 1.00 0.00 C ATOM 0 H ALA A 19 5.822 9.956 0.028 1.00 0.00 H new ATOM 0 HA ALA A 19 7.116 7.625 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.194 6.489 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.816 7.820 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.323 8.040 0.316 1.00 0.00 H new ATOM 250 N CYS A 20 5.875 6.521 -2.693 1.00 0.00 N ATOM 251 CA CYS A 20 5.327 6.019 -3.948 1.00 0.00 C ATOM 252 C CYS A 20 3.842 5.700 -3.804 1.00 0.00 C ATOM 253 O CYS A 20 3.337 5.535 -2.694 1.00 0.00 O ATOM 254 CB CYS A 20 6.088 4.770 -4.398 1.00 0.00 C ATOM 255 SG CYS A 20 7.781 5.096 -4.942 1.00 0.00 S ATOM 0 H CYS A 20 6.581 5.918 -2.271 1.00 0.00 H new ATOM 0 HA CYS A 20 5.442 6.797 -4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.113 4.056 -3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.540 4.297 -5.213 1.00 0.00 H new ATOM 0 HG CYS A 20 8.344 3.980 -5.301 1.00 0.00 H new ATOM 261 N ASP A 21 3.149 5.614 -4.935 1.00 0.00 N ATOM 262 CA ASP A 21 1.722 5.315 -4.936 1.00 0.00 C ATOM 263 C ASP A 21 1.457 3.927 -4.359 1.00 0.00 C ATOM 264 O ASP A 21 0.408 3.683 -3.762 1.00 0.00 O ATOM 265 CB ASP A 21 1.162 5.407 -6.357 1.00 0.00 C ATOM 266 CG ASP A 21 -0.150 6.165 -6.414 1.00 0.00 C ATOM 267 OD1 ASP A 21 -0.144 7.384 -6.143 1.00 0.00 O ATOM 268 OD2 ASP A 21 -1.184 5.538 -6.728 1.00 0.00 O ATOM 0 H ASP A 21 3.553 5.747 -5.862 1.00 0.00 H new ATOM 0 HA ASP A 21 1.220 6.051 -4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.891 5.899 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.015 4.402 -6.752 1.00 0.00 H new ATOM 273 N GLU A 22 2.412 3.022 -4.544 1.00 0.00 N ATOM 274 CA GLU A 22 2.282 1.659 -4.043 1.00 0.00 C ATOM 275 C GLU A 22 2.096 1.648 -2.528 1.00 0.00 C ATOM 276 O GLU A 22 1.452 0.754 -1.979 1.00 0.00 O ATOM 277 CB GLU A 22 3.514 0.835 -4.425 1.00 0.00 C ATOM 278 CG GLU A 22 3.186 -0.585 -4.855 1.00 0.00 C ATOM 279 CD GLU A 22 4.333 -1.250 -5.591 1.00 0.00 C ATOM 280 OE1 GLU A 22 5.497 -1.036 -5.195 1.00 0.00 O ATOM 281 OE2 GLU A 22 4.067 -1.985 -6.566 1.00 0.00 O ATOM 0 H GLU A 22 3.285 3.208 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 22 1.398 1.214 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.041 1.339 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.195 0.800 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.931 -1.177 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.305 -0.572 -5.497 1.00 0.00 H new ATOM 288 N PHE A 23 2.663 2.647 -1.860 1.00 0.00 N ATOM 289 CA PHE A 23 2.558 2.752 -0.409 1.00 0.00 C ATOM 290 C PHE A 23 1.251 3.427 -0.007 1.00 0.00 C ATOM 291 O PHE A 23 0.680 3.123 1.041 1.00 0.00 O ATOM 292 CB PHE A 23 3.744 3.535 0.154 1.00 0.00 C ATOM 293 CG PHE A 23 5.068 2.858 -0.063 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.219 1.505 0.196 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.160 3.574 -0.525 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.435 0.879 -0.002 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.378 2.953 -0.727 1.00 0.00 C ATOM 298 CZ PHE A 23 7.516 1.604 -0.464 1.00 0.00 C ATOM 0 H PHE A 23 3.199 3.395 -2.300 1.00 0.00 H new ATOM 0 HA PHE A 23 2.569 1.744 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.770 4.522 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.594 3.687 1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.377 0.933 0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.058 4.630 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.540 -0.176 0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.221 3.522 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.467 1.117 -0.619 1.00 0.00 H new ATOM 308 N LEU A 24 0.782 4.342 -0.847 1.00 0.00 N ATOM 309 CA LEU A 24 -0.458 5.061 -0.580 1.00 0.00 C ATOM 310 C LEU A 24 -1.669 4.162 -0.810 1.00 0.00 C ATOM 311 O LEU A 24 -1.721 3.413 -1.786 1.00 0.00 O ATOM 312 CB LEU A 24 -0.555 6.301 -1.471 1.00 0.00 C ATOM 313 CG LEU A 24 0.191 7.532 -0.952 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.061 8.687 -1.933 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.332 7.932 0.419 1.00 0.00 C ATOM 0 H LEU A 24 1.242 4.604 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.450 5.371 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.169 6.051 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.607 6.558 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 24 1.247 7.281 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.598 9.554 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.484 8.397 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.992 8.939 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.209 8.809 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.394 8.165 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.186 7.109 1.118 1.00 0.00 H new ATOM 327 N ASP A 25 -2.640 4.240 0.094 1.00 0.00 N ATOM 328 CA ASP A 25 -3.849 3.433 -0.013 1.00 0.00 C ATOM 329 C ASP A 25 -4.669 3.847 -1.234 1.00 0.00 C ATOM 330 O ASP A 25 -4.796 5.035 -1.530 1.00 0.00 O ATOM 331 CB ASP A 25 -4.692 3.574 1.256 1.00 0.00 C ATOM 332 CG ASP A 25 -5.471 2.314 1.578 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.872 1.376 2.145 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.679 2.264 1.263 1.00 0.00 O ATOM 0 H ASP A 25 -2.613 4.854 0.908 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.555 2.390 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.041 3.819 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.386 4.406 1.137 1.00 0.00 H new ATOM 339 N PRO A 26 -5.239 2.872 -1.963 1.00 0.00 N ATOM 340 CA PRO A 26 -6.046 3.150 -3.156 1.00 0.00 C ATOM 341 C PRO A 26 -7.323 3.917 -2.828 1.00 0.00 C ATOM 342 O PRO A 26 -7.854 4.646 -3.666 1.00 0.00 O ATOM 343 CB PRO A 26 -6.385 1.758 -3.699 1.00 0.00 C ATOM 344 CG PRO A 26 -6.240 0.845 -2.531 1.00 0.00 C ATOM 345 CD PRO A 26 -5.143 1.427 -1.687 1.00 0.00 C ATOM 0 HA PRO A 26 -5.510 3.778 -3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.397 1.727 -4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.712 1.475 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.172 0.779 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.990 -0.166 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.289 1.208 -0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.167 1.028 -1.963 1.00 0.00 H new ATOM 353 N ILE A 27 -7.811 3.749 -1.602 1.00 0.00 N ATOM 354 CA ILE A 27 -9.026 4.427 -1.166 1.00 0.00 C ATOM 355 C ILE A 27 -8.708 5.551 -0.185 1.00 0.00 C ATOM 356 O ILE A 27 -9.065 6.706 -0.412 1.00 0.00 O ATOM 357 CB ILE A 27 -10.010 3.445 -0.502 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.193 2.203 -1.376 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.347 4.125 -0.250 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.095 1.157 -0.757 1.00 0.00 C ATOM 0 H ILE A 27 -7.384 3.150 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.490 4.848 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.597 3.133 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.606 2.504 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.217 1.759 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.032 3.419 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.201 4.981 0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.768 4.463 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.180 0.305 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.673 0.828 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.083 1.584 -0.586 1.00 0.00 H new ATOM 372 N MET A 28 -8.035 5.202 0.907 1.00 0.00 N ATOM 373 CA MET A 28 -7.668 6.181 1.924 1.00 0.00 C ATOM 374 C MET A 28 -6.708 7.225 1.359 1.00 0.00 C ATOM 375 O MET A 28 -6.671 8.363 1.827 1.00 0.00 O ATOM 376 CB MET A 28 -7.031 5.484 3.127 1.00 0.00 C ATOM 377 CG MET A 28 -8.040 5.014 4.162 1.00 0.00 C ATOM 378 SD MET A 28 -8.341 6.243 5.447 1.00 0.00 S ATOM 379 CE MET A 28 -9.622 7.230 4.678 1.00 0.00 C ATOM 0 H MET A 28 -7.733 4.249 1.110 1.00 0.00 H new ATOM 0 HA MET A 28 -8.577 6.689 2.246 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.456 4.627 2.777 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.327 6.168 3.602 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.980 4.776 3.665 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.681 4.093 4.622 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.311 7.591 5.442 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.169 8.080 4.167 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.167 6.621 3.957 1.00 0.00 H new ATOM 389 N SER A 29 -5.932 6.831 0.354 1.00 0.00 N ATOM 390 CA SER A 29 -4.973 7.735 -0.270 1.00 0.00 C ATOM 391 C SER A 29 -3.960 8.241 0.750 1.00 0.00 C ATOM 392 O SER A 29 -3.495 9.378 0.666 1.00 0.00 O ATOM 393 CB SER A 29 -5.701 8.917 -0.914 1.00 0.00 C ATOM 394 OG SER A 29 -6.472 8.498 -2.027 1.00 0.00 O ATOM 0 H SER A 29 -5.949 5.892 -0.045 1.00 0.00 H new ATOM 0 HA SER A 29 -4.438 7.182 -1.042 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.349 9.394 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.975 9.665 -1.232 1.00 0.00 H new ATOM 0 HG SER A 29 -6.928 9.272 -2.419 1.00 0.00 H new ATOM 400 N THR A 30 -3.622 7.391 1.714 1.00 0.00 N ATOM 401 CA THR A 30 -2.664 7.754 2.751 1.00 0.00 C ATOM 402 C THR A 30 -1.621 6.657 2.939 1.00 0.00 C ATOM 403 O THR A 30 -1.701 5.598 2.317 1.00 0.00 O ATOM 404 CB THR A 30 -3.388 8.016 4.074 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.283 6.959 4.372 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.181 9.305 4.077 1.00 0.00 C ATOM 0 H THR A 30 -3.997 6.446 1.798 1.00 0.00 H new ATOM 0 HA THR A 30 -2.154 8.664 2.436 1.00 0.00 H new ATOM 0 HB THR A 30 -2.602 8.091 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.735 7.143 5.222 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.669 9.430 5.044 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.510 10.145 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.936 9.270 3.291 1.00 0.00 H new ATOM 414 N LEU A 31 -0.643 6.919 3.801 1.00 0.00 N ATOM 415 CA LEU A 31 0.416 5.953 4.071 1.00 0.00 C ATOM 416 C LEU A 31 -0.156 4.670 4.663 1.00 0.00 C ATOM 417 O LEU A 31 -0.965 4.709 5.590 1.00 0.00 O ATOM 418 CB LEU A 31 1.449 6.554 5.027 1.00 0.00 C ATOM 419 CG LEU A 31 2.758 5.773 5.141 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.534 5.838 3.834 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.600 6.308 6.289 1.00 0.00 C ATOM 0 H LEU A 31 -0.562 7.791 4.324 1.00 0.00 H new ATOM 0 HA LEU A 31 0.902 5.710 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.677 7.569 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.002 6.631 6.018 1.00 0.00 H new ATOM 0 HG LEU A 31 2.519 4.730 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.463 5.276 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.934 5.407 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.762 6.877 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.528 5.740 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.829 7.359 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.047 6.209 7.223 1.00 0.00 H new ATOM 433 N MET A 32 0.270 3.534 4.121 1.00 0.00 N ATOM 434 CA MET A 32 -0.201 2.237 4.594 1.00 0.00 C ATOM 435 C MET A 32 0.777 1.635 5.599 1.00 0.00 C ATOM 436 O MET A 32 1.984 1.606 5.362 1.00 0.00 O ATOM 437 CB MET A 32 -0.394 1.280 3.417 1.00 0.00 C ATOM 438 CG MET A 32 -1.572 1.639 2.527 1.00 0.00 C ATOM 439 SD MET A 32 -2.087 0.273 1.470 1.00 0.00 S ATOM 440 CE MET A 32 -0.848 0.358 0.179 1.00 0.00 C ATOM 0 H MET A 32 0.941 3.485 3.354 1.00 0.00 H new ATOM 0 HA MET A 32 -1.159 2.387 5.092 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.515 1.269 2.815 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.534 0.269 3.801 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.412 1.948 3.150 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.305 2.494 1.905 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.921 -0.526 -0.454 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.012 1.251 -0.424 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.144 0.401 0.629 1.00 0.00 H new ATOM 450 N CYS A 33 0.246 1.156 6.719 1.00 0.00 N ATOM 451 CA CYS A 33 1.072 0.554 7.759 1.00 0.00 C ATOM 452 C CYS A 33 1.048 -0.968 7.657 1.00 0.00 C ATOM 453 O CYS A 33 2.091 -1.620 7.701 1.00 0.00 O ATOM 454 CB CYS A 33 0.587 0.990 9.142 1.00 0.00 C ATOM 455 SG CYS A 33 1.915 1.263 10.338 1.00 0.00 S ATOM 0 H CYS A 33 -0.752 1.173 6.930 1.00 0.00 H new ATOM 0 HA CYS A 33 2.097 0.896 7.617 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.010 1.909 9.040 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.090 0.231 9.534 1.00 0.00 H new ATOM 0 HG CYS A 33 1.405 1.631 11.476 1.00 0.00 H new ATOM 461 N ASP A 34 -0.150 -1.528 7.518 1.00 0.00 N ATOM 462 CA ASP A 34 -0.310 -2.973 7.409 1.00 0.00 C ATOM 463 C ASP A 34 -1.207 -3.331 6.224 1.00 0.00 C ATOM 464 O ASP A 34 -2.376 -3.674 6.401 1.00 0.00 O ATOM 465 CB ASP A 34 -0.899 -3.542 8.700 1.00 0.00 C ATOM 466 CG ASP A 34 0.169 -3.890 9.719 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.157 -3.134 9.824 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.016 -4.918 10.411 1.00 0.00 O ATOM 0 H ASP A 34 -1.023 -1.003 7.478 1.00 0.00 H new ATOM 0 HA ASP A 34 0.674 -3.412 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.587 -2.816 9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.481 -4.434 8.468 1.00 0.00 H new ATOM 473 N PRO A 35 -0.666 -3.256 4.996 1.00 0.00 N ATOM 474 CA PRO A 35 -1.423 -3.572 3.780 1.00 0.00 C ATOM 475 C PRO A 35 -1.725 -5.062 3.656 1.00 0.00 C ATOM 476 O PRO A 35 -0.821 -5.896 3.711 1.00 0.00 O ATOM 477 CB PRO A 35 -0.489 -3.121 2.654 1.00 0.00 C ATOM 478 CG PRO A 35 0.876 -3.197 3.241 1.00 0.00 C ATOM 479 CD PRO A 35 0.721 -2.855 4.696 1.00 0.00 C ATOM 0 HA PRO A 35 -2.397 -3.082 3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.581 -3.767 1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.723 -2.108 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.299 -4.194 3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.553 -2.500 2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.438 -3.395 5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.880 -1.792 4.878 1.00 0.00 H new ATOM 487 N VAL A 36 -3.003 -5.388 3.490 1.00 0.00 N ATOM 488 CA VAL A 36 -3.426 -6.776 3.357 1.00 0.00 C ATOM 489 C VAL A 36 -3.932 -7.064 1.947 1.00 0.00 C ATOM 490 O VAL A 36 -4.748 -6.319 1.406 1.00 0.00 O ATOM 491 CB VAL A 36 -4.535 -7.124 4.368 1.00 0.00 C ATOM 492 CG1 VAL A 36 -3.967 -7.208 5.776 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.660 -6.103 4.298 1.00 0.00 C ATOM 0 H VAL A 36 -3.763 -4.709 3.444 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.551 -7.394 3.560 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.945 -8.100 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.765 -7.455 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.200 -7.981 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.528 -6.248 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.434 -6.365 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.268 -5.113 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.085 -6.098 3.294 1.00 0.00 H new ATOM 503 N VAL A 37 -3.440 -8.149 1.359 1.00 0.00 N ATOM 504 CA VAL A 37 -3.840 -8.534 0.010 1.00 0.00 C ATOM 505 C VAL A 37 -5.246 -9.124 0.002 1.00 0.00 C ATOM 506 O VAL A 37 -5.586 -9.958 0.842 1.00 0.00 O ATOM 507 CB VAL A 37 -2.863 -9.560 -0.595 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.170 -9.786 -2.066 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.424 -9.103 -0.407 1.00 0.00 C ATOM 0 H VAL A 37 -2.764 -8.777 1.794 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.824 -7.628 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.990 -10.508 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.470 -10.514 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.188 -10.162 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.073 -8.845 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.748 -9.840 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.279 -8.143 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.212 -8.998 0.657 1.00 0.00 H new ATOM 519 N LEU A 38 -6.060 -8.685 -0.953 1.00 0.00 N ATOM 520 CA LEU A 38 -7.430 -9.171 -1.072 1.00 0.00 C ATOM 521 C LEU A 38 -7.514 -10.311 -2.086 1.00 0.00 C ATOM 522 O LEU A 38 -7.241 -10.114 -3.269 1.00 0.00 O ATOM 523 CB LEU A 38 -8.360 -8.030 -1.491 1.00 0.00 C ATOM 524 CG LEU A 38 -8.268 -6.770 -0.629 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.643 -5.540 -1.441 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.163 -6.896 0.595 1.00 0.00 C ATOM 0 H LEU A 38 -5.795 -7.994 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.744 -9.549 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.139 -7.762 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.388 -8.393 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.238 -6.657 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.572 -4.653 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.962 -5.441 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.664 -5.644 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.085 -5.991 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.197 -7.033 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.849 -7.755 1.188 1.00 0.00 H new ATOM 538 N PRO A 39 -7.893 -11.522 -1.640 1.00 0.00 N ATOM 539 CA PRO A 39 -8.006 -12.687 -2.525 1.00 0.00 C ATOM 540 C PRO A 39 -9.172 -12.575 -3.505 1.00 0.00 C ATOM 541 O PRO A 39 -9.307 -13.392 -4.415 1.00 0.00 O ATOM 542 CB PRO A 39 -8.232 -13.850 -1.557 1.00 0.00 C ATOM 543 CG PRO A 39 -8.846 -13.225 -0.353 1.00 0.00 C ATOM 544 CD PRO A 39 -8.239 -11.855 -0.244 1.00 0.00 C ATOM 0 HA PRO A 39 -7.123 -12.800 -3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.889 -14.604 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.294 -14.348 -1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.930 -13.165 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.641 -13.815 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.942 -11.137 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.359 -11.855 0.399 1.00 0.00 H new ATOM 552 N SER A 40 -10.015 -11.563 -3.314 1.00 0.00 N ATOM 553 CA SER A 40 -11.167 -11.357 -4.184 1.00 0.00 C ATOM 554 C SER A 40 -10.837 -10.388 -5.316 1.00 0.00 C ATOM 555 O SER A 40 -10.800 -10.773 -6.484 1.00 0.00 O ATOM 556 CB SER A 40 -12.352 -10.827 -3.375 1.00 0.00 C ATOM 557 OG SER A 40 -13.547 -10.865 -4.136 1.00 0.00 O ATOM 0 H SER A 40 -9.921 -10.875 -2.566 1.00 0.00 H new ATOM 0 HA SER A 40 -11.432 -12.319 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.474 -11.423 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.151 -9.804 -3.058 1.00 0.00 H new ATOM 0 HG SER A 40 -13.822 -11.796 -4.266 1.00 0.00 H new ATOM 563 N SER A 41 -10.602 -9.129 -4.962 1.00 0.00 N ATOM 564 CA SER A 41 -10.281 -8.103 -5.951 1.00 0.00 C ATOM 565 C SER A 41 -8.796 -8.113 -6.314 1.00 0.00 C ATOM 566 O SER A 41 -8.377 -7.432 -7.249 1.00 0.00 O ATOM 567 CB SER A 41 -10.674 -6.722 -5.424 1.00 0.00 C ATOM 568 OG SER A 41 -10.167 -6.511 -4.117 1.00 0.00 O ATOM 0 H SER A 41 -10.627 -8.793 -3.999 1.00 0.00 H new ATOM 0 HA SER A 41 -10.850 -8.326 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.292 -5.952 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.760 -6.628 -5.416 1.00 0.00 H new ATOM 0 HG SER A 41 -10.676 -5.797 -3.680 1.00 0.00 H new ATOM 574 N ARG A 42 -8.004 -8.884 -5.573 1.00 0.00 N ATOM 575 CA ARG A 42 -6.569 -8.969 -5.828 1.00 0.00 C ATOM 576 C ARG A 42 -5.907 -7.605 -5.661 1.00 0.00 C ATOM 577 O ARG A 42 -4.908 -7.304 -6.314 1.00 0.00 O ATOM 578 CB ARG A 42 -6.309 -9.506 -7.237 1.00 0.00 C ATOM 579 CG ARG A 42 -6.654 -10.979 -7.400 1.00 0.00 C ATOM 580 CD ARG A 42 -7.885 -11.174 -8.272 1.00 0.00 C ATOM 581 NE ARG A 42 -8.838 -12.104 -7.672 1.00 0.00 N ATOM 582 CZ ARG A 42 -8.587 -13.396 -7.472 1.00 0.00 C ATOM 583 NH1 ARG A 42 -7.416 -13.913 -7.820 1.00 0.00 N ATOM 584 NH2 ARG A 42 -9.511 -14.172 -6.920 1.00 0.00 N ATOM 0 H ARG A 42 -8.330 -9.457 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.136 -9.656 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.891 -8.924 -7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.258 -9.358 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.808 -11.504 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.828 -11.423 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.371 -10.212 -8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.581 -11.547 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.749 -11.742 -7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.702 -13.320 -8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.229 -14.904 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.412 -13.778 -6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.320 -15.162 -6.766 1.00 0.00 H new ATOM 598 N VAL A 43 -6.471 -6.784 -4.780 1.00 0.00 N ATOM 599 CA VAL A 43 -5.936 -5.452 -4.524 1.00 0.00 C ATOM 600 C VAL A 43 -5.385 -5.347 -3.106 1.00 0.00 C ATOM 601 O VAL A 43 -5.842 -6.042 -2.199 1.00 0.00 O ATOM 602 CB VAL A 43 -7.010 -4.366 -4.729 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.400 -2.978 -4.603 1.00 0.00 C ATOM 604 CG2 VAL A 43 -7.693 -4.536 -6.078 1.00 0.00 C ATOM 0 H VAL A 43 -7.298 -7.018 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.128 -5.291 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.764 -4.477 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.174 -2.225 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.965 -2.861 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.623 -2.852 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.448 -3.760 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.952 -4.454 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.169 -5.516 -6.124 1.00 0.00 H new ATOM 614 N THR A 44 -4.399 -4.475 -2.922 1.00 0.00 N ATOM 615 CA THR A 44 -3.784 -4.280 -1.614 1.00 0.00 C ATOM 616 C THR A 44 -4.382 -3.069 -0.905 1.00 0.00 C ATOM 617 O THR A 44 -4.332 -1.950 -1.418 1.00 0.00 O ATOM 618 CB THR A 44 -2.271 -4.105 -1.758 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.751 -5.014 -2.711 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.518 -4.315 -0.463 1.00 0.00 C ATOM 0 H THR A 44 -4.009 -3.892 -3.662 1.00 0.00 H new ATOM 0 HA THR A 44 -3.985 -5.166 -1.012 1.00 0.00 H new ATOM 0 HB THR A 44 -2.128 -3.073 -2.078 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.783 -4.886 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.451 -4.176 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.862 -3.594 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.698 -5.326 -0.097 1.00 0.00 H new ATOM 628 N VAL A 45 -4.947 -3.299 0.275 1.00 0.00 N ATOM 629 CA VAL A 45 -5.554 -2.226 1.054 1.00 0.00 C ATOM 630 C VAL A 45 -5.207 -2.357 2.533 1.00 0.00 C ATOM 631 O VAL A 45 -4.906 -3.449 3.016 1.00 0.00 O ATOM 632 CB VAL A 45 -7.086 -2.216 0.898 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.477 -1.893 -0.536 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.678 -3.549 1.332 1.00 0.00 C ATOM 0 H VAL A 45 -4.997 -4.219 0.713 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.151 -1.289 0.670 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.491 -1.437 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.563 -1.891 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.089 -0.911 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.059 -2.645 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.761 -3.522 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.266 -4.348 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.431 -3.734 2.378 1.00 0.00 H new ATOM 644 N ASP A 46 -5.251 -1.237 3.247 1.00 0.00 N ATOM 645 CA ASP A 46 -4.941 -1.226 4.672 1.00 0.00 C ATOM 646 C ASP A 46 -5.887 -2.144 5.441 1.00 0.00 C ATOM 647 O ASP A 46 -7.082 -2.200 5.155 1.00 0.00 O ATOM 648 CB ASP A 46 -5.028 0.200 5.223 1.00 0.00 C ATOM 649 CG ASP A 46 -3.672 0.756 5.607 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.926 0.059 6.326 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.353 1.888 5.187 1.00 0.00 O ATOM 0 H ASP A 46 -5.498 -0.325 2.862 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.923 -1.595 4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.485 0.848 4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.682 0.210 6.095 1.00 0.00 H new ATOM 656 N ARG A 47 -5.342 -2.861 6.420 1.00 0.00 N ATOM 657 CA ARG A 47 -6.136 -3.776 7.231 1.00 0.00 C ATOM 658 C ARG A 47 -7.277 -3.039 7.926 1.00 0.00 C ATOM 659 O ARG A 47 -8.339 -3.609 8.175 1.00 0.00 O ATOM 660 CB ARG A 47 -5.253 -4.468 8.270 1.00 0.00 C ATOM 661 CG ARG A 47 -5.685 -5.891 8.586 1.00 0.00 C ATOM 662 CD ARG A 47 -5.909 -6.092 10.077 1.00 0.00 C ATOM 663 NE ARG A 47 -4.704 -5.813 10.854 1.00 0.00 N ATOM 664 CZ ARG A 47 -3.641 -6.614 10.888 1.00 0.00 C ATOM 665 NH1 ARG A 47 -3.630 -7.742 10.190 1.00 0.00 N ATOM 666 NH2 ARG A 47 -2.586 -6.285 11.621 1.00 0.00 N ATOM 0 H ARG A 47 -4.354 -2.825 6.670 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.564 -4.529 6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.224 -4.481 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.261 -3.882 9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.603 -6.121 8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.925 -6.589 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.716 -5.441 10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.229 -7.118 10.260 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.675 -4.954 11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.438 -7.999 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.813 -8.352 10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.589 -5.418 12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.772 -6.899 11.647 1.00 0.00 H new ATOM 680 N SER A 48 -7.049 -1.767 8.238 1.00 0.00 N ATOM 681 CA SER A 48 -8.057 -0.951 8.905 1.00 0.00 C ATOM 682 C SER A 48 -9.060 -0.394 7.899 1.00 0.00 C ATOM 683 O SER A 48 -10.229 -0.189 8.222 1.00 0.00 O ATOM 684 CB SER A 48 -7.392 0.196 9.669 1.00 0.00 C ATOM 685 OG SER A 48 -8.049 0.437 10.901 1.00 0.00 O ATOM 0 H SER A 48 -6.175 -1.279 8.040 1.00 0.00 H new ATOM 0 HA SER A 48 -8.593 -1.586 9.611 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.345 -0.044 9.853 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.410 1.100 9.061 1.00 0.00 H new ATOM 0 HG SER A 48 -7.604 1.173 11.371 1.00 0.00 H new ATOM 691 N THR A 49 -8.593 -0.152 6.679 1.00 0.00 N ATOM 692 CA THR A 49 -9.449 0.381 5.625 1.00 0.00 C ATOM 693 C THR A 49 -10.498 -0.643 5.206 1.00 0.00 C ATOM 694 O THR A 49 -11.637 -0.292 4.900 1.00 0.00 O ATOM 695 CB THR A 49 -8.610 0.794 4.415 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.533 1.623 4.812 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.401 1.540 3.363 1.00 0.00 C ATOM 0 H THR A 49 -7.627 -0.316 6.395 1.00 0.00 H new ATOM 0 HA THR A 49 -9.961 1.259 6.018 1.00 0.00 H new ATOM 0 HB THR A 49 -8.251 -0.139 3.981 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.790 2.135 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.745 1.803 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.210 0.907 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.818 2.448 3.798 1.00 0.00 H new ATOM 705 N ILE A 50 -10.104 -1.912 5.195 1.00 0.00 N ATOM 706 CA ILE A 50 -11.008 -2.989 4.815 1.00 0.00 C ATOM 707 C ILE A 50 -11.989 -3.304 5.942 1.00 0.00 C ATOM 708 O ILE A 50 -13.136 -3.672 5.693 1.00 0.00 O ATOM 709 CB ILE A 50 -10.231 -4.270 4.445 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.192 -5.358 3.960 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.420 -4.762 5.635 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.849 -5.036 2.635 1.00 0.00 C ATOM 0 H ILE A 50 -9.164 -2.219 5.445 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.563 -2.647 3.941 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.542 -4.035 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.648 -6.298 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.966 -5.510 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.878 -5.666 5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.710 -3.991 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.090 -4.982 6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.516 -5.850 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.421 -4.113 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.083 -4.913 1.869 1.00 0.00 H new ATOM 724 N ALA A 51 -11.528 -3.155 7.179 1.00 0.00 N ATOM 725 CA ALA A 51 -12.365 -3.421 8.344 1.00 0.00 C ATOM 726 C ALA A 51 -13.621 -2.557 8.325 1.00 0.00 C ATOM 727 O ALA A 51 -14.703 -3.009 8.700 1.00 0.00 O ATOM 728 CB ALA A 51 -11.577 -3.184 9.624 1.00 0.00 C ATOM 0 H ALA A 51 -10.580 -2.852 7.401 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.674 -4.466 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.213 -3.386 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.713 -3.848 9.647 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.240 -2.148 9.657 1.00 0.00 H new ATOM 734 N ARG A 52 -13.471 -1.312 7.887 1.00 0.00 N ATOM 735 CA ARG A 52 -14.594 -0.384 7.818 1.00 0.00 C ATOM 736 C ARG A 52 -15.627 -0.859 6.801 1.00 0.00 C ATOM 737 O ARG A 52 -16.826 -0.635 6.967 1.00 0.00 O ATOM 738 CB ARG A 52 -14.102 1.018 7.450 1.00 0.00 C ATOM 739 CG ARG A 52 -14.759 2.124 8.258 1.00 0.00 C ATOM 740 CD ARG A 52 -13.851 3.336 8.383 1.00 0.00 C ATOM 741 NE ARG A 52 -14.185 4.373 7.408 1.00 0.00 N ATOM 742 CZ ARG A 52 -15.196 5.225 7.549 1.00 0.00 C ATOM 743 NH1 ARG A 52 -15.975 5.170 8.623 1.00 0.00 N ATOM 744 NH2 ARG A 52 -15.430 6.136 6.614 1.00 0.00 N ATOM 0 H ARG A 52 -12.582 -0.922 7.574 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.067 -0.348 8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.023 1.065 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.289 1.193 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.695 2.417 7.782 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.009 1.751 9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.930 3.746 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.815 3.028 8.245 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.608 4.447 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.799 4.472 9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.749 5.826 8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.835 6.183 5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.205 6.790 6.722 1.00 0.00 H new ATOM 758 N HIS A 53 -15.151 -1.516 5.748 1.00 0.00 N ATOM 759 CA HIS A 53 -16.031 -2.025 4.703 1.00 0.00 C ATOM 760 C HIS A 53 -16.637 -3.369 5.100 1.00 0.00 C ATOM 761 O HIS A 53 -17.676 -3.769 4.576 1.00 0.00 O ATOM 762 CB HIS A 53 -15.262 -2.169 3.388 1.00 0.00 C ATOM 763 CG HIS A 53 -16.147 -2.279 2.186 1.00 0.00 C ATOM 764 ND1 HIS A 53 -17.027 -1.297 1.788 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.277 -3.286 1.284 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.652 -1.727 0.683 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.231 -2.929 0.335 1.00 0.00 N ATOM 0 H HIS A 53 -14.161 -1.708 5.596 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.842 -1.310 4.569 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.603 -1.310 3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.626 -3.053 3.443 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.177 -0.401 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.728 -4.216 1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.402 -1.164 0.147 1.00 0.00 H new ATOM 775 N LEU A 54 -15.983 -4.063 6.027 1.00 0.00 N ATOM 776 CA LEU A 54 -16.461 -5.361 6.490 1.00 0.00 C ATOM 777 C LEU A 54 -17.275 -5.219 7.773 1.00 0.00 C ATOM 778 O LEU A 54 -17.261 -6.103 8.629 1.00 0.00 O ATOM 779 CB LEU A 54 -15.281 -6.308 6.725 1.00 0.00 C ATOM 780 CG LEU A 54 -14.406 -6.570 5.499 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.196 -7.410 5.877 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.213 -7.257 4.407 1.00 0.00 C ATOM 0 H LEU A 54 -15.121 -3.748 6.472 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.107 -5.777 5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.656 -5.895 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.666 -7.261 7.087 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.053 -5.612 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.585 -7.586 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.606 -6.882 6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.529 -8.365 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.575 -7.436 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.594 -8.208 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.048 -6.620 4.116 1.00 0.00 H new ATOM 794 N LEU A 55 -17.984 -4.101 7.900 1.00 0.00 N ATOM 795 CA LEU A 55 -18.805 -3.847 9.078 1.00 0.00 C ATOM 796 C LEU A 55 -20.245 -4.291 8.843 1.00 0.00 C ATOM 797 O LEU A 55 -20.803 -5.061 9.624 1.00 0.00 O ATOM 798 CB LEU A 55 -18.770 -2.360 9.439 1.00 0.00 C ATOM 799 CG LEU A 55 -17.385 -1.812 9.786 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.438 -0.302 9.965 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.848 -2.480 11.044 1.00 0.00 C ATOM 0 H LEU A 55 -18.006 -3.358 7.202 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.396 -4.425 9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.171 -1.789 8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.434 -2.192 10.287 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.709 -2.037 8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.444 0.070 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.780 0.162 9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.128 -0.055 10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.862 -2.078 11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.524 -2.286 11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.773 -3.555 10.881 1.00 0.00 H new ATOM 813 N SER A 56 -20.839 -3.802 7.760 1.00 0.00 N ATOM 814 CA SER A 56 -22.214 -4.148 7.420 1.00 0.00 C ATOM 815 C SER A 56 -22.254 -5.142 6.263 1.00 0.00 C ATOM 816 O SER A 56 -23.158 -5.974 6.177 1.00 0.00 O ATOM 817 CB SER A 56 -23.004 -2.891 7.053 1.00 0.00 C ATOM 818 OG SER A 56 -23.303 -2.123 8.206 1.00 0.00 O ATOM 0 H SER A 56 -20.390 -3.165 7.102 1.00 0.00 H new ATOM 0 HA SER A 56 -22.671 -4.614 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.429 -2.289 6.350 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.929 -3.173 6.550 1.00 0.00 H new ATOM 0 HG SER A 56 -23.807 -1.324 7.945 1.00 0.00 H new ATOM 824 N ASP A 57 -21.269 -5.050 5.376 1.00 0.00 N ATOM 825 CA ASP A 57 -21.190 -5.940 4.224 1.00 0.00 C ATOM 826 C ASP A 57 -19.822 -6.609 4.146 1.00 0.00 C ATOM 827 O ASP A 57 -18.843 -5.994 3.723 1.00 0.00 O ATOM 828 CB ASP A 57 -21.467 -5.165 2.934 1.00 0.00 C ATOM 829 CG ASP A 57 -22.858 -4.565 2.906 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.811 -5.254 3.330 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.997 -3.407 2.460 1.00 0.00 O ATOM 0 H ASP A 57 -20.513 -4.367 5.433 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.947 -6.715 4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.729 -4.370 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.345 -5.831 2.080 1.00 0.00 H new ATOM 836 N GLN A 58 -19.762 -7.872 4.555 1.00 0.00 N ATOM 837 CA GLN A 58 -18.513 -8.625 4.531 1.00 0.00 C ATOM 838 C GLN A 58 -18.140 -9.013 3.104 1.00 0.00 C ATOM 839 O GLN A 58 -18.381 -10.141 2.673 1.00 0.00 O ATOM 840 CB GLN A 58 -18.632 -9.878 5.399 1.00 0.00 C ATOM 841 CG GLN A 58 -18.422 -9.614 6.881 1.00 0.00 C ATOM 842 CD GLN A 58 -19.653 -9.922 7.710 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.339 -10.917 7.479 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.940 -9.065 8.684 1.00 0.00 N ATOM 0 H GLN A 58 -20.563 -8.396 4.907 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.725 -7.988 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.618 -10.318 5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.901 -10.614 5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.588 -10.217 7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -18.144 -8.570 7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.344 -8.253 8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.757 -9.220 9.275 1.00 0.00 H new ATOM 853 N THR A 59 -17.551 -8.071 2.374 1.00 0.00 N ATOM 854 CA THR A 59 -17.145 -8.314 0.995 1.00 0.00 C ATOM 855 C THR A 59 -16.073 -7.321 0.559 1.00 0.00 C ATOM 856 O THR A 59 -15.656 -6.462 1.335 1.00 0.00 O ATOM 857 CB THR A 59 -18.353 -8.218 0.061 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.073 -7.020 0.293 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.322 -9.371 0.214 1.00 0.00 C ATOM 0 H THR A 59 -17.344 -7.132 2.715 1.00 0.00 H new ATOM 0 HA THR A 59 -16.728 -9.320 0.938 1.00 0.00 H new ATOM 0 HB THR A 59 -17.940 -8.242 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 59 -19.840 -6.977 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.155 -9.241 -0.477 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.811 -10.308 -0.007 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.699 -9.396 1.236 1.00 0.00 H new ATOM 867 N ASP A 60 -15.630 -7.446 -0.688 1.00 0.00 N ATOM 868 CA ASP A 60 -14.606 -6.559 -1.227 1.00 0.00 C ATOM 869 C ASP A 60 -15.233 -5.283 -1.786 1.00 0.00 C ATOM 870 O ASP A 60 -16.272 -5.331 -2.443 1.00 0.00 O ATOM 871 CB ASP A 60 -13.811 -7.273 -2.322 1.00 0.00 C ATOM 872 CG ASP A 60 -12.411 -6.712 -2.480 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.268 -5.638 -3.101 1.00 0.00 O ATOM 874 OD2 ASP A 60 -11.457 -7.347 -1.981 1.00 0.00 O ATOM 0 H ASP A 60 -15.964 -8.152 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.931 -6.286 -0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.749 -8.336 -2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.343 -7.186 -3.269 1.00 0.00 H new ATOM 879 N PRO A 61 -14.609 -4.118 -1.534 1.00 0.00 N ATOM 880 CA PRO A 61 -15.117 -2.830 -2.019 1.00 0.00 C ATOM 881 C PRO A 61 -14.988 -2.682 -3.533 1.00 0.00 C ATOM 882 O PRO A 61 -15.590 -1.788 -4.129 1.00 0.00 O ATOM 883 CB PRO A 61 -14.232 -1.806 -1.306 1.00 0.00 C ATOM 884 CG PRO A 61 -12.967 -2.537 -1.016 1.00 0.00 C ATOM 885 CD PRO A 61 -13.362 -3.963 -0.758 1.00 0.00 C ATOM 0 HA PRO A 61 -16.181 -2.712 -1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.050 -0.934 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.701 -1.447 -0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.276 -2.470 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.459 -2.110 -0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.592 -4.660 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.524 -4.150 0.304 1.00 0.00 H new ATOM 893 N PHE A 62 -14.202 -3.558 -4.152 1.00 0.00 N ATOM 894 CA PHE A 62 -14.000 -3.512 -5.596 1.00 0.00 C ATOM 895 C PHE A 62 -14.659 -4.705 -6.281 1.00 0.00 C ATOM 896 O PHE A 62 -15.293 -4.560 -7.326 1.00 0.00 O ATOM 897 CB PHE A 62 -12.505 -3.488 -5.922 1.00 0.00 C ATOM 898 CG PHE A 62 -11.716 -2.545 -5.058 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.843 -1.174 -5.210 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.847 -3.031 -4.095 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.118 -0.305 -4.417 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.119 -2.168 -3.299 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.255 -0.802 -3.460 1.00 0.00 C ATOM 0 H PHE A 62 -13.696 -4.306 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.465 -2.600 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.101 -4.494 -5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.374 -3.206 -6.967 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.516 -0.780 -5.957 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.737 -4.098 -3.965 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.226 0.762 -4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.445 -2.560 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.688 -0.125 -2.839 1.00 0.00 H new ATOM 913 N ASN A 63 -14.504 -5.885 -5.689 1.00 0.00 N ATOM 914 CA ASN A 63 -15.082 -7.102 -6.246 1.00 0.00 C ATOM 915 C ASN A 63 -16.503 -7.322 -5.736 1.00 0.00 C ATOM 916 O ASN A 63 -17.339 -7.900 -6.429 1.00 0.00 O ATOM 917 CB ASN A 63 -14.211 -8.311 -5.899 1.00 0.00 C ATOM 918 CG ASN A 63 -14.076 -9.277 -7.059 1.00 0.00 C ATOM 919 OD1 ASN A 63 -14.743 -10.311 -7.102 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.209 -8.945 -8.010 1.00 0.00 N ATOM 0 H ASN A 63 -13.983 -6.024 -4.823 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.121 -6.988 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.221 -7.968 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.641 -8.832 -5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.076 -9.557 -8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.677 -8.078 -7.935 1.00 0.00 H new ATOM 927 N ARG A 64 -16.770 -6.861 -4.517 1.00 0.00 N ATOM 928 CA ARG A 64 -18.091 -7.012 -3.917 1.00 0.00 C ATOM 929 C ARG A 64 -18.437 -8.487 -3.731 1.00 0.00 C ATOM 930 O ARG A 64 -19.603 -8.874 -3.793 1.00 0.00 O ATOM 931 CB ARG A 64 -19.152 -6.330 -4.784 1.00 0.00 C ATOM 932 CG ARG A 64 -20.135 -5.484 -3.989 1.00 0.00 C ATOM 933 CD ARG A 64 -20.183 -4.052 -4.500 1.00 0.00 C ATOM 934 NE ARG A 64 -20.544 -3.107 -3.446 1.00 0.00 N ATOM 935 CZ ARG A 64 -20.320 -1.797 -3.516 1.00 0.00 C ATOM 936 NH1 ARG A 64 -19.736 -1.273 -4.588 1.00 0.00 N ATOM 937 NH2 ARG A 64 -20.680 -1.007 -2.513 1.00 0.00 N ATOM 0 H ARG A 64 -16.090 -6.381 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.075 -6.534 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.656 -5.699 -5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.704 -7.092 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.129 -5.926 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -19.850 -5.486 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -19.211 -3.781 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.905 -3.981 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.994 -3.473 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.457 -1.875 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.567 -0.268 -4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -21.129 -1.403 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.508 -0.003 -2.567 1.00 0.00 H new ATOM 951 N SER A 65 -17.414 -9.303 -3.502 1.00 0.00 N ATOM 952 CA SER A 65 -17.606 -10.736 -3.306 1.00 0.00 C ATOM 953 C SER A 65 -17.426 -11.111 -1.837 1.00 0.00 C ATOM 954 O SER A 65 -16.909 -10.320 -1.046 1.00 0.00 O ATOM 955 CB SER A 65 -16.621 -11.524 -4.173 1.00 0.00 C ATOM 956 OG SER A 65 -17.229 -11.948 -5.381 1.00 0.00 O ATOM 0 H SER A 65 -16.443 -8.997 -3.447 1.00 0.00 H new ATOM 0 HA SER A 65 -18.624 -10.989 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.753 -10.904 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.259 -12.391 -3.621 1.00 0.00 H new ATOM 0 HG SER A 65 -16.578 -12.447 -5.917 1.00 0.00 H new ATOM 962 N PRO A 66 -17.849 -12.327 -1.448 1.00 0.00 N ATOM 963 CA PRO A 66 -17.728 -12.800 -0.065 1.00 0.00 C ATOM 964 C PRO A 66 -16.286 -12.771 0.430 1.00 0.00 C ATOM 965 O PRO A 66 -15.463 -13.591 0.023 1.00 0.00 O ATOM 966 CB PRO A 66 -18.250 -14.243 -0.120 1.00 0.00 C ATOM 967 CG PRO A 66 -18.240 -14.612 -1.565 1.00 0.00 C ATOM 968 CD PRO A 66 -18.472 -13.335 -2.318 1.00 0.00 C ATOM 0 HA PRO A 66 -18.282 -12.167 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.616 -14.913 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.255 -14.314 0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.289 -15.064 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.018 -15.343 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.011 -13.358 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.534 -13.140 -2.467 1.00 0.00 H new ATOM 976 N LEU A 67 -15.988 -11.820 1.311 1.00 0.00 N ATOM 977 CA LEU A 67 -14.646 -11.682 1.861 1.00 0.00 C ATOM 978 C LEU A 67 -14.698 -11.432 3.365 1.00 0.00 C ATOM 979 O LEU A 67 -15.692 -10.925 3.886 1.00 0.00 O ATOM 980 CB LEU A 67 -13.905 -10.537 1.167 1.00 0.00 C ATOM 981 CG LEU A 67 -12.426 -10.406 1.532 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.635 -11.583 0.982 1.00 0.00 C ATOM 983 CD2 LEU A 67 -11.864 -9.092 1.010 1.00 0.00 C ATOM 0 H LEU A 67 -16.659 -11.134 1.658 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.109 -12.614 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.986 -10.673 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.407 -9.600 1.409 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.336 -10.411 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.585 -11.473 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.023 -12.511 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.730 -11.610 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.810 -9.015 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.966 -9.058 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.413 -8.260 1.452 1.00 0.00 H new ATOM 995 N THR A 68 -13.623 -11.792 4.058 1.00 0.00 N ATOM 996 CA THR A 68 -13.546 -11.606 5.503 1.00 0.00 C ATOM 997 C THR A 68 -12.121 -11.278 5.935 1.00 0.00 C ATOM 998 O THR A 68 -11.195 -11.296 5.124 1.00 0.00 O ATOM 999 CB THR A 68 -14.035 -12.862 6.226 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.652 -14.029 5.519 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.537 -12.904 6.404 1.00 0.00 C ATOM 0 H THR A 68 -12.793 -12.214 3.643 1.00 0.00 H new ATOM 0 HA THR A 68 -14.189 -10.767 5.771 1.00 0.00 H new ATOM 0 HB THR A 68 -13.570 -12.827 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.972 -14.822 5.998 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.816 -13.821 6.924 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.858 -12.043 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.020 -12.879 5.427 1.00 0.00 H new ATOM 1009 N MET A 69 -11.951 -10.979 7.219 1.00 0.00 N ATOM 1010 CA MET A 69 -10.639 -10.646 7.760 1.00 0.00 C ATOM 1011 C MET A 69 -9.708 -11.854 7.716 1.00 0.00 C ATOM 1012 O MET A 69 -8.493 -11.709 7.578 1.00 0.00 O ATOM 1013 CB MET A 69 -10.771 -10.140 9.198 1.00 0.00 C ATOM 1014 CG MET A 69 -9.821 -9.002 9.532 1.00 0.00 C ATOM 1015 SD MET A 69 -10.665 -7.416 9.698 1.00 0.00 S ATOM 1016 CE MET A 69 -9.877 -6.474 8.395 1.00 0.00 C ATOM 0 H MET A 69 -12.706 -10.961 7.904 1.00 0.00 H new ATOM 0 HA MET A 69 -10.209 -9.857 7.143 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.796 -9.808 9.365 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.589 -10.967 9.884 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.300 -9.230 10.462 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.063 -8.926 8.752 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.366 -5.504 8.300 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.824 -6.328 8.637 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.960 -7.016 7.453 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.285 -13.046 7.836 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.506 -14.279 7.810 1.00 0.00 C ATOM 1028 C ASP A 70 -8.980 -14.561 6.406 1.00 0.00 C ATOM 1029 O ASP A 70 -7.861 -15.048 6.238 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.356 -15.454 8.296 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.133 -15.763 9.763 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -10.230 -14.829 10.588 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.860 -16.938 10.088 1.00 0.00 O ATOM 0 H ASP A 70 -11.289 -13.184 7.952 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.654 -14.156 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.410 -15.229 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.122 -16.338 7.702 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.793 -14.254 5.402 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.412 -14.476 4.013 1.00 0.00 C ATOM 1040 C GLN A 71 -8.204 -13.624 3.635 1.00 0.00 C ATOM 1041 O GLN A 71 -7.204 -14.137 3.131 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.585 -14.159 3.084 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.808 -15.026 3.334 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.152 -15.908 2.149 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -12.127 -15.329 0.953 1.00 0.00 O flip ATOM 1046 NE2 GLN A 71 -12.436 -17.095 2.305 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.722 -13.850 5.525 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.141 -15.526 3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.861 -13.112 3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.264 -14.287 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.632 -15.652 4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.660 -14.387 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.443 -17.499 3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.664 -17.675 1.498 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.304 -12.322 3.881 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.219 -11.400 3.566 1.00 0.00 C ATOM 1057 C ILE A 72 -5.941 -11.780 4.305 1.00 0.00 C ATOM 1058 O ILE A 72 -5.988 -12.366 5.387 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.593 -9.949 3.927 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -7.978 -9.851 5.404 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.731 -9.460 3.044 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.702 -8.493 6.012 1.00 0.00 C ATOM 0 H ILE A 72 -9.125 -11.882 4.297 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.049 -11.469 2.492 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.725 -9.312 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.039 -10.079 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.431 -10.609 5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.984 -8.434 3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.423 -9.498 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.603 -10.098 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.999 -8.497 7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.638 -8.271 5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.270 -7.732 5.476 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.799 -11.443 3.715 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.507 -11.749 4.317 1.00 0.00 C ATOM 1076 C ARG A 73 -2.571 -10.545 4.239 1.00 0.00 C ATOM 1077 O ARG A 73 -2.709 -9.698 3.356 1.00 0.00 O ATOM 1078 CB ARG A 73 -2.868 -12.953 3.622 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.758 -14.185 3.600 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.133 -15.342 4.364 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.126 -16.096 5.127 1.00 0.00 N ATOM 1082 CZ ARG A 73 -5.034 -16.896 4.573 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -5.080 -17.050 3.257 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -5.900 -17.545 5.340 1.00 0.00 N ATOM 0 H ARG A 73 -4.742 -10.957 2.820 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.672 -11.991 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.615 -12.679 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.933 -13.199 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.727 -13.942 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.939 -14.485 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.631 -16.010 3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.370 -14.959 5.042 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.123 -16.004 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.417 -16.554 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.779 -17.665 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.870 -17.431 6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.596 -18.158 4.917 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.601 -10.455 5.165 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.639 -9.348 5.196 1.00 0.00 C ATOM 1100 C PRO A 74 0.349 -9.406 4.036 1.00 0.00 C ATOM 1101 O PRO A 74 1.028 -10.413 3.836 1.00 0.00 O ATOM 1102 CB PRO A 74 0.087 -9.547 6.528 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.036 -11.003 6.814 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.366 -11.424 6.253 1.00 0.00 C ATOM 0 HA PRO A 74 -1.129 -8.379 5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.132 -9.244 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.366 -8.949 7.319 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.777 -11.562 6.351 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.014 -11.196 7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.339 -12.448 5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.152 -11.380 7.007 1.00 0.00 H new ATOM 1112 N ASN A 75 0.423 -8.320 3.275 1.00 0.00 N ATOM 1113 CA ASN A 75 1.329 -8.247 2.134 1.00 0.00 C ATOM 1114 C ASN A 75 2.772 -8.075 2.595 1.00 0.00 C ATOM 1115 O ASN A 75 3.240 -6.955 2.796 1.00 0.00 O ATOM 1116 CB ASN A 75 0.934 -7.089 1.216 1.00 0.00 C ATOM 1117 CG ASN A 75 1.706 -7.098 -0.089 1.00 0.00 C ATOM 1118 OD1 ASN A 75 2.755 -7.731 -0.199 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.187 -6.393 -1.088 1.00 0.00 N ATOM 0 H ASN A 75 -0.133 -7.478 3.427 1.00 0.00 H new ATOM 0 HA ASN A 75 1.252 -9.183 1.581 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.134 -7.145 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.108 -6.144 1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.661 -6.362 -1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.314 -5.883 -0.953 1.00 0.00 H new ATOM 1126 N THR A 76 3.471 -9.193 2.762 1.00 0.00 N ATOM 1127 CA THR A 76 4.861 -9.165 3.201 1.00 0.00 C ATOM 1128 C THR A 76 5.744 -8.473 2.168 1.00 0.00 C ATOM 1129 O THR A 76 6.728 -7.818 2.515 1.00 0.00 O ATOM 1130 CB THR A 76 5.367 -10.588 3.450 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.288 -11.459 3.737 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.350 -10.680 4.596 1.00 0.00 C ATOM 0 H THR A 76 3.098 -10.128 2.600 1.00 0.00 H new ATOM 0 HA THR A 76 4.911 -8.600 4.132 1.00 0.00 H new ATOM 0 HB THR A 76 5.877 -10.880 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.630 -12.364 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.669 -11.715 4.719 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.217 -10.056 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.873 -10.336 5.513 1.00 0.00 H new ATOM 1140 N GLU A 77 5.387 -8.622 0.897 1.00 0.00 N ATOM 1141 CA GLU A 77 6.148 -8.011 -0.187 1.00 0.00 C ATOM 1142 C GLU A 77 6.040 -6.489 -0.138 1.00 0.00 C ATOM 1143 O GLU A 77 6.966 -5.779 -0.528 1.00 0.00 O ATOM 1144 CB GLU A 77 5.652 -8.529 -1.541 1.00 0.00 C ATOM 1145 CG GLU A 77 6.692 -9.335 -2.301 1.00 0.00 C ATOM 1146 CD GLU A 77 6.725 -8.999 -3.779 1.00 0.00 C ATOM 1147 OE1 GLU A 77 5.660 -9.071 -4.428 1.00 0.00 O ATOM 1148 OE2 GLU A 77 7.816 -8.663 -4.288 1.00 0.00 O ATOM 0 H GLU A 77 4.576 -9.160 0.592 1.00 0.00 H new ATOM 0 HA GLU A 77 7.196 -8.285 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.769 -9.148 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.342 -7.682 -2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.676 -9.151 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.483 -10.398 -2.178 1.00 0.00 H new ATOM 1155 N LEU A 78 4.904 -5.996 0.344 1.00 0.00 N ATOM 1156 CA LEU A 78 4.676 -4.559 0.443 1.00 0.00 C ATOM 1157 C LEU A 78 5.093 -4.035 1.813 1.00 0.00 C ATOM 1158 O LEU A 78 5.714 -2.977 1.921 1.00 0.00 O ATOM 1159 CB LEU A 78 3.203 -4.234 0.188 1.00 0.00 C ATOM 1160 CG LEU A 78 2.891 -2.749 -0.001 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.595 -2.209 -1.236 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.389 -2.530 -0.101 1.00 0.00 C ATOM 0 H LEU A 78 4.127 -6.570 0.672 1.00 0.00 H new ATOM 0 HA LEU A 78 5.285 -4.068 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.876 -4.774 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.614 -4.610 1.024 1.00 0.00 H new ATOM 0 HG LEU A 78 3.260 -2.205 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.361 -1.151 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.672 -2.332 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.257 -2.756 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.184 -1.468 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.996 -3.086 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.909 -2.879 0.813 1.00 0.00 H new ATOM 1174 N LYS A 79 4.748 -4.781 2.858 1.00 0.00 N ATOM 1175 CA LYS A 79 5.086 -4.391 4.223 1.00 0.00 C ATOM 1176 C LYS A 79 6.593 -4.216 4.384 1.00 0.00 C ATOM 1177 O LYS A 79 7.050 -3.402 5.186 1.00 0.00 O ATOM 1178 CB LYS A 79 4.574 -5.437 5.215 1.00 0.00 C ATOM 1179 CG LYS A 79 4.049 -4.839 6.510 1.00 0.00 C ATOM 1180 CD LYS A 79 4.392 -5.712 7.707 1.00 0.00 C ATOM 1181 CE LYS A 79 3.805 -5.150 8.992 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.573 -5.584 10.192 1.00 0.00 N ATOM 0 H LYS A 79 4.234 -5.659 2.786 1.00 0.00 H new ATOM 0 HA LYS A 79 4.604 -3.435 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.780 -6.016 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.381 -6.132 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.472 -3.845 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.968 -4.719 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.013 -6.721 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.475 -5.790 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.797 -4.061 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.768 -5.473 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.140 -5.179 11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.560 -6.622 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.556 -5.254 10.113 1.00 0.00 H new ATOM 1196 N GLU A 80 7.359 -4.982 3.615 1.00 0.00 N ATOM 1197 CA GLU A 80 8.815 -4.910 3.672 1.00 0.00 C ATOM 1198 C GLU A 80 9.327 -3.675 2.939 1.00 0.00 C ATOM 1199 O GLU A 80 10.342 -3.092 3.318 1.00 0.00 O ATOM 1200 CB GLU A 80 9.432 -6.171 3.066 1.00 0.00 C ATOM 1201 CG GLU A 80 9.424 -7.365 4.008 1.00 0.00 C ATOM 1202 CD GLU A 80 10.715 -8.159 3.952 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.794 -7.551 4.112 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.646 -9.391 3.749 1.00 0.00 O ATOM 0 H GLU A 80 6.996 -5.660 2.945 1.00 0.00 H new ATOM 0 HA GLU A 80 9.111 -4.837 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.888 -6.431 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.460 -5.958 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.259 -7.018 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.589 -8.018 3.755 1.00 0.00 H new ATOM 1211 N LYS A 81 8.618 -3.284 1.885 1.00 0.00 N ATOM 1212 CA LYS A 81 9.001 -2.118 1.097 1.00 0.00 C ATOM 1213 C LYS A 81 8.841 -0.836 1.908 1.00 0.00 C ATOM 1214 O LYS A 81 9.625 0.102 1.766 1.00 0.00 O ATOM 1215 CB LYS A 81 8.159 -2.037 -0.177 1.00 0.00 C ATOM 1216 CG LYS A 81 8.572 -3.039 -1.244 1.00 0.00 C ATOM 1217 CD LYS A 81 7.720 -2.905 -2.495 1.00 0.00 C ATOM 1218 CE LYS A 81 7.735 -4.183 -3.319 1.00 0.00 C ATOM 1219 NZ LYS A 81 6.590 -4.245 -4.269 1.00 0.00 N ATOM 0 H LYS A 81 7.776 -3.757 1.557 1.00 0.00 H new ATOM 0 HA LYS A 81 10.051 -2.225 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.112 -2.201 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.233 -1.030 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.621 -2.888 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.482 -4.051 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.695 -2.664 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.088 -2.076 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.671 -4.246 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.701 -5.045 -2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.637 -5.131 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.696 -4.211 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.636 -3.437 -4.922 1.00 0.00 H new ATOM 1233 N ILE A 82 7.821 -0.805 2.760 1.00 0.00 N ATOM 1234 CA ILE A 82 7.559 0.362 3.595 1.00 0.00 C ATOM 1235 C ILE A 82 8.637 0.522 4.662 1.00 0.00 C ATOM 1236 O ILE A 82 9.152 1.620 4.879 1.00 0.00 O ATOM 1237 CB ILE A 82 6.181 0.267 4.280 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.093 -0.027 3.247 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.872 1.553 5.031 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.737 -0.302 3.860 1.00 0.00 C ATOM 0 H ILE A 82 7.163 -1.574 2.890 1.00 0.00 H new ATOM 0 HA ILE A 82 7.567 1.232 2.938 1.00 0.00 H new ATOM 0 HB ILE A 82 6.205 -0.553 4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.010 0.821 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.394 -0.887 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.896 1.470 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.635 1.723 5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.864 2.389 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.014 -0.502 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.804 -1.168 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.415 0.566 4.435 1.00 0.00 H new ATOM 1252 N GLN A 83 8.973 -0.578 5.327 1.00 0.00 N ATOM 1253 CA GLN A 83 9.990 -0.560 6.372 1.00 0.00 C ATOM 1254 C GLN A 83 11.354 -0.194 5.795 1.00 0.00 C ATOM 1255 O GLN A 83 12.178 0.424 6.469 1.00 0.00 O ATOM 1256 CB GLN A 83 10.064 -1.922 7.064 1.00 0.00 C ATOM 1257 CG GLN A 83 8.703 -2.496 7.425 1.00 0.00 C ATOM 1258 CD GLN A 83 8.480 -2.575 8.923 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.119 -1.860 9.695 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.571 -3.447 9.341 1.00 0.00 N ATOM 0 H GLN A 83 8.556 -1.494 5.161 1.00 0.00 H new ATOM 0 HA GLN A 83 9.710 0.197 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.584 -2.624 6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.661 -1.828 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.923 -1.880 6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.608 -3.493 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.065 -4.019 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.379 -3.545 10.338 1.00 0.00 H new ATOM 1269 N ARG A 84 11.585 -0.578 4.544 1.00 0.00 N ATOM 1270 CA ARG A 84 12.848 -0.290 3.876 1.00 0.00 C ATOM 1271 C ARG A 84 12.911 1.171 3.440 1.00 0.00 C ATOM 1272 O ARG A 84 13.949 1.821 3.559 1.00 0.00 O ATOM 1273 CB ARG A 84 13.030 -1.208 2.664 1.00 0.00 C ATOM 1274 CG ARG A 84 14.222 -2.146 2.786 1.00 0.00 C ATOM 1275 CD ARG A 84 13.785 -3.590 2.982 1.00 0.00 C ATOM 1276 NE ARG A 84 14.403 -4.192 4.162 1.00 0.00 N ATOM 1277 CZ ARG A 84 14.492 -5.506 4.363 1.00 0.00 C ATOM 1278 NH1 ARG A 84 14.006 -6.356 3.468 1.00 0.00 N ATOM 1279 NH2 ARG A 84 15.070 -5.969 5.462 1.00 0.00 N ATOM 0 H ARG A 84 10.913 -1.090 3.972 1.00 0.00 H new ATOM 0 HA ARG A 84 13.656 -0.473 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.125 -1.800 2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.149 -0.596 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.837 -2.071 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.844 -1.837 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.700 -3.631 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.047 -4.172 2.098 1.00 0.00 H new ATOM 0 HE ARG A 84 14.788 -3.570 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.561 -6.005 2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.077 -7.361 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 84 15.446 -5.320 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.139 -6.975 5.617 1.00 0.00 H new ATOM 1293 N TRP A 85 11.792 1.680 2.934 1.00 0.00 N ATOM 1294 CA TRP A 85 11.719 3.064 2.481 1.00 0.00 C ATOM 1295 C TRP A 85 11.703 4.025 3.665 1.00 0.00 C ATOM 1296 O TRP A 85 12.293 5.105 3.609 1.00 0.00 O ATOM 1297 CB TRP A 85 10.473 3.277 1.619 1.00 0.00 C ATOM 1298 CG TRP A 85 10.388 4.649 1.025 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.150 5.151 0.008 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.493 5.698 1.412 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.782 6.447 -0.261 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.767 6.806 0.587 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.486 5.807 2.375 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 9.071 8.006 0.697 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.794 7.000 2.483 1.00 0.00 C ATOM 1306 CH2 TRP A 85 8.090 8.085 1.648 1.00 0.00 C ATOM 0 H TRP A 85 10.924 1.155 2.828 1.00 0.00 H new ATOM 0 HA TRP A 85 12.606 3.270 1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.466 2.540 0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.586 3.096 2.225 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.928 4.608 -0.509 1.00 0.00 H new ATOM 0 HE1 TRP A 85 11.197 7.045 -0.976 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.252 4.975 3.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.297 8.845 0.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.013 7.096 3.223 1.00 0.00 H new ATOM 0 HH2 TRP A 85 7.532 9.003 1.757 1.00 0.00 H new ATOM 1317 N LEU A 86 11.023 3.626 4.736 1.00 0.00 N ATOM 1318 CA LEU A 86 10.930 4.451 5.934 1.00 0.00 C ATOM 1319 C LEU A 86 12.315 4.764 6.492 1.00 0.00 C ATOM 1320 O LEU A 86 12.550 5.845 7.030 1.00 0.00 O ATOM 1321 CB LEU A 86 10.086 3.747 6.999 1.00 0.00 C ATOM 1322 CG LEU A 86 8.574 3.839 6.791 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.844 2.942 7.779 1.00 0.00 C ATOM 1324 CD2 LEU A 86 8.104 5.280 6.927 1.00 0.00 C ATOM 0 H LEU A 86 10.529 2.736 4.798 1.00 0.00 H new ATOM 0 HA LEU A 86 10.449 5.390 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.370 2.695 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.330 4.171 7.973 1.00 0.00 H new ATOM 0 HG LEU A 86 8.343 3.497 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.769 3.020 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.159 1.909 7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.080 3.253 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.026 5.327 6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.347 5.650 7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.602 5.897 6.179 1.00 0.00 H new ATOM 1336 N ALA A 87 13.230 3.810 6.356 1.00 0.00 N ATOM 1337 CA ALA A 87 14.593 3.983 6.844 1.00 0.00 C ATOM 1338 C ALA A 87 15.455 4.705 5.814 1.00 0.00 C ATOM 1339 O ALA A 87 16.388 5.426 6.168 1.00 0.00 O ATOM 1340 CB ALA A 87 15.204 2.634 7.195 1.00 0.00 C ATOM 0 H ALA A 87 13.052 2.909 5.912 1.00 0.00 H new ATOM 0 HA ALA A 87 14.556 4.597 7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.222 2.779 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 87 14.607 2.155 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.222 2.001 6.308 1.00 0.00 H new ATOM 1346 N GLU A 88 15.136 4.507 4.540 1.00 0.00 N ATOM 1347 CA GLU A 88 15.882 5.140 3.458 1.00 0.00 C ATOM 1348 C GLU A 88 15.481 6.603 3.305 1.00 0.00 C ATOM 1349 O GLU A 88 16.296 7.444 2.924 1.00 0.00 O ATOM 1350 CB GLU A 88 15.644 4.394 2.143 1.00 0.00 C ATOM 1351 CG GLU A 88 16.131 2.953 2.164 1.00 0.00 C ATOM 1352 CD GLU A 88 17.411 2.758 1.377 1.00 0.00 C ATOM 1353 OE1 GLU A 88 18.465 3.260 1.824 1.00 0.00 O ATOM 1354 OE2 GLU A 88 17.361 2.106 0.313 1.00 0.00 O ATOM 0 H GLU A 88 14.366 3.913 4.231 1.00 0.00 H new ATOM 0 HA GLU A 88 16.942 5.096 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.578 4.405 1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.147 4.927 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.293 2.643 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.355 2.305 1.755 1.00 0.00 H new ATOM 1361 N ARG A 89 14.221 6.901 3.605 1.00 0.00 N ATOM 1362 CA ARG A 89 13.713 8.265 3.501 1.00 0.00 C ATOM 1363 C ARG A 89 14.241 9.140 4.637 1.00 0.00 C ATOM 1364 O ARG A 89 14.177 10.367 4.566 1.00 0.00 O ATOM 1365 CB ARG A 89 12.182 8.263 3.508 1.00 0.00 C ATOM 1366 CG ARG A 89 11.575 7.843 4.838 1.00 0.00 C ATOM 1367 CD ARG A 89 10.083 8.127 4.882 1.00 0.00 C ATOM 1368 NE ARG A 89 9.594 8.278 6.251 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.945 9.277 7.058 1.00 0.00 C ATOM 1370 NH1 ARG A 89 10.788 10.213 6.639 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.453 9.340 8.288 1.00 0.00 N ATOM 0 H ARG A 89 13.533 6.217 3.922 1.00 0.00 H new ATOM 0 HA ARG A 89 14.066 8.683 2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.825 9.262 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.825 7.591 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.749 6.779 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.072 8.374 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.870 9.036 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.545 7.315 4.392 1.00 0.00 H new ATOM 0 HE ARG A 89 8.946 7.577 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.170 10.169 5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.053 10.976 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.806 8.623 8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.722 10.105 8.906 1.00 0.00 H new ATOM 1385 N LYS A 90 14.761 8.503 5.685 1.00 0.00 N ATOM 1386 CA LYS A 90 15.296 9.230 6.831 1.00 0.00 C ATOM 1387 C LYS A 90 16.807 9.404 6.709 1.00 0.00 C ATOM 1388 O LYS A 90 17.528 9.368 7.706 1.00 0.00 O ATOM 1389 CB LYS A 90 14.960 8.493 8.129 1.00 0.00 C ATOM 1390 CG LYS A 90 13.513 8.656 8.564 1.00 0.00 C ATOM 1391 CD LYS A 90 13.389 8.705 10.078 1.00 0.00 C ATOM 1392 CE LYS A 90 12.112 8.031 10.558 1.00 0.00 C ATOM 1393 NZ LYS A 90 11.261 8.957 11.355 1.00 0.00 N ATOM 0 H LYS A 90 14.822 7.488 5.763 1.00 0.00 H new ATOM 0 HA LYS A 90 14.835 10.218 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.175 7.432 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.612 8.857 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.104 9.570 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.920 7.828 8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.251 8.215 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.401 9.743 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.548 7.668 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.366 7.160 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.401 8.460 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.790 9.283 12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.997 9.776 10.770 1.00 0.00 H new ATOM 1407 N GLN A 91 17.281 9.597 5.482 1.00 0.00 N ATOM 1408 CA GLN A 91 18.706 9.779 5.232 1.00 0.00 C ATOM 1409 C GLN A 91 19.032 11.253 5.012 1.00 0.00 C ATOM 1410 O GLN A 91 19.994 11.777 5.574 1.00 0.00 O ATOM 1411 CB GLN A 91 19.141 8.956 4.016 1.00 0.00 C ATOM 1412 CG GLN A 91 20.003 7.755 4.372 1.00 0.00 C ATOM 1413 CD GLN A 91 19.322 6.820 5.352 1.00 0.00 C ATOM 1414 OE1 GLN A 91 18.613 5.896 4.956 1.00 0.00 O ATOM 1415 NE2 GLN A 91 19.537 7.055 6.641 1.00 0.00 N ATOM 0 H GLN A 91 16.699 9.631 4.645 1.00 0.00 H new ATOM 0 HA GLN A 91 19.254 9.432 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.254 8.611 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.693 9.599 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.249 7.206 3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 91 20.944 8.101 4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 91 20.132 7.833 6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 91 19.107 6.458 7.347 1.00 0.00 H new ATOM 1424 N GLN A 92 18.223 11.915 4.192 1.00 0.00 N ATOM 1425 CA GLN A 92 18.424 13.330 3.898 1.00 0.00 C ATOM 1426 C GLN A 92 17.292 14.170 4.479 1.00 0.00 C ATOM 1427 O GLN A 92 16.222 13.651 4.799 1.00 0.00 O ATOM 1428 CB GLN A 92 18.515 13.551 2.386 1.00 0.00 C ATOM 1429 CG GLN A 92 19.919 13.380 1.831 1.00 0.00 C ATOM 1430 CD GLN A 92 20.100 14.054 0.485 1.00 0.00 C ATOM 1431 OE1 GLN A 92 19.375 13.769 -0.468 1.00 0.00 O ATOM 1432 NE2 GLN A 92 21.073 14.954 0.400 1.00 0.00 N ATOM 0 H GLN A 92 17.422 11.495 3.719 1.00 0.00 H new ATOM 0 HA GLN A 92 19.360 13.643 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 92 17.847 12.851 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 92 18.160 14.555 2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 92 20.638 13.792 2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 92 20.140 12.317 1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 92 21.650 15.159 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 92 21.243 15.440 -0.481 1.00 0.00 H new ATOM 1441 N SER A 93 17.534 15.470 4.616 1.00 0.00 N ATOM 1442 CA SER A 93 16.534 16.380 5.160 1.00 0.00 C ATOM 1443 C SER A 93 15.824 17.143 4.046 1.00 0.00 C ATOM 1444 O SER A 93 14.653 17.500 4.173 1.00 0.00 O ATOM 1445 CB SER A 93 17.186 17.365 6.132 1.00 0.00 C ATOM 1446 OG SER A 93 18.476 17.745 5.684 1.00 0.00 O ATOM 0 H SER A 93 18.414 15.916 4.358 1.00 0.00 H new ATOM 0 HA SER A 93 15.794 15.785 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 93 16.558 18.250 6.234 1.00 0.00 H new ATOM 0 HB3 SER A 93 17.260 16.911 7.120 1.00 0.00 H new ATOM 0 HG SER A 93 18.871 18.376 6.321 1.00 0.00 H new ATOM 1452 N GLY A 94 16.540 17.387 2.954 1.00 0.00 N ATOM 1453 CA GLY A 94 15.962 18.105 1.832 1.00 0.00 C ATOM 1454 C GLY A 94 16.726 19.374 1.499 1.00 0.00 C ATOM 1455 O GLY A 94 16.215 20.476 1.695 1.00 0.00 O ATOM 0 H GLY A 94 17.510 17.101 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.946 17.454 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.927 18.357 2.061 1.00 0.00 H new ATOM 1459 N PRO A 95 17.963 19.249 0.990 1.00 0.00 N ATOM 1460 CA PRO A 95 18.791 20.405 0.633 1.00 0.00 C ATOM 1461 C PRO A 95 18.259 21.142 -0.592 1.00 0.00 C ATOM 1462 O PRO A 95 17.183 20.826 -1.099 1.00 0.00 O ATOM 1463 CB PRO A 95 20.158 19.786 0.332 1.00 0.00 C ATOM 1464 CG PRO A 95 19.856 18.386 -0.075 1.00 0.00 C ATOM 1465 CD PRO A 95 18.652 17.972 0.724 1.00 0.00 C ATOM 0 HA PRO A 95 18.812 21.151 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.672 20.327 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 95 20.807 19.813 1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.654 18.326 -1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.703 17.730 0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 95 18.018 17.282 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.937 17.469 1.648 1.00 0.00 H new ATOM 1473 N SER A 96 19.019 22.125 -1.061 1.00 0.00 N ATOM 1474 CA SER A 96 18.623 22.907 -2.227 1.00 0.00 C ATOM 1475 C SER A 96 19.710 23.908 -2.605 1.00 0.00 C ATOM 1476 O SER A 96 19.829 24.970 -1.995 1.00 0.00 O ATOM 1477 CB SER A 96 17.310 23.642 -1.953 1.00 0.00 C ATOM 1478 OG SER A 96 17.284 24.167 -0.637 1.00 0.00 O ATOM 0 H SER A 96 19.912 22.400 -0.652 1.00 0.00 H new ATOM 0 HA SER A 96 18.479 22.221 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 96 17.185 24.451 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.472 22.959 -2.092 1.00 0.00 H new ATOM 0 HG SER A 96 18.107 24.673 -0.470 1.00 0.00 H new ATOM 1484 N SER A 97 20.501 23.562 -3.616 1.00 0.00 N ATOM 1485 CA SER A 97 21.577 24.430 -4.077 1.00 0.00 C ATOM 1486 C SER A 97 21.035 25.544 -4.966 1.00 0.00 C ATOM 1487 O SER A 97 20.139 25.322 -5.780 1.00 0.00 O ATOM 1488 CB SER A 97 22.626 23.618 -4.839 1.00 0.00 C ATOM 1489 OG SER A 97 23.652 23.167 -3.971 1.00 0.00 O ATOM 0 H SER A 97 20.416 22.686 -4.131 1.00 0.00 H new ATOM 0 HA SER A 97 22.044 24.883 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.150 22.763 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 97 23.058 24.229 -5.631 1.00 0.00 H new ATOM 0 HG SER A 97 24.309 22.649 -4.482 1.00 0.00 H new ATOM 1495 N GLY A 98 21.584 26.744 -4.804 1.00 0.00 N ATOM 1496 CA GLY A 98 21.144 27.875 -5.600 1.00 0.00 C ATOM 1497 C GLY A 98 22.193 28.330 -6.594 1.00 0.00 C ATOM 1498 O GLY A 98 23.393 28.084 -6.346 1.00 0.00 O ATOM 1499 OXT GLY A 98 21.816 28.932 -7.621 1.00 0.00 O ATOM 0 H GLY A 98 22.326 26.953 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 98 20.234 27.606 -6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.891 28.704 -4.939 1.00 0.00 H new TER 1503 GLY A 98