USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 830 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.108) USER MOD Single : A 2 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.162) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0341) USER MOD Single : A 5 SER OG : rot 50:sc= 0.0754 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00855 USER MOD Single : A -1 GLY N :NH3+ -99:sc= 0.0604 (180deg=0) USER MOD Single : A 12 MET CE :methyl -171:sc= 0 (180deg=-0.0924) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.0523 (180deg=-0.512) USER MOD Single : A 16 MET CE :methyl -136:sc= -0.511 (180deg=-1.16) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.7) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.706 F(o=-1.5,f=-0.71) USER MOD Single : A 36 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.59) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0211) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.154 K(o=-0.15,f=-3.1) USER MOD Single : A 53 SER OG : rot 38:sc= 0.532 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0103 USER MOD Single : A 66 SER OG : rot -77:sc= 0.341 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0416) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.622 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 19.036 -43.761 10.636 1.00 0.00 N ATOM 2 CA GLY A -1 18.175 -42.593 10.893 1.00 0.00 C ATOM 3 C GLY A -1 16.931 -42.964 11.698 1.00 0.00 C ATOM 4 O GLY A -1 16.552 -44.133 11.742 1.00 0.00 O ATOM 0 H1 GLY A -1 19.818 -43.774 11.322 1.00 0.00 H new ATOM 0 H2 GLY A -1 18.477 -44.633 10.733 1.00 0.00 H new ATOM 0 H3 GLY A -1 19.422 -43.702 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A -1 18.743 -41.836 11.433 1.00 0.00 H new ATOM 0 HA3 GLY A -1 17.874 -42.149 9.944 1.00 0.00 H new ATOM 10 N SER A 0 16.300 -41.964 12.327 1.00 0.00 N ATOM 11 CA SER A 0 15.057 -42.113 13.072 1.00 0.00 C ATOM 12 C SER A 0 14.376 -40.743 13.177 1.00 0.00 C ATOM 13 O SER A 0 14.933 -39.740 12.731 1.00 0.00 O ATOM 14 CB SER A 0 15.353 -42.723 14.452 1.00 0.00 C ATOM 15 OG SER A 0 14.162 -43.065 15.130 1.00 0.00 O ATOM 0 H SER A 0 16.654 -41.007 12.328 1.00 0.00 H new ATOM 0 HA SER A 0 14.376 -42.791 12.557 1.00 0.00 H new ATOM 0 HB2 SER A 0 15.974 -43.611 14.333 1.00 0.00 H new ATOM 0 HB3 SER A 0 15.923 -42.013 15.051 1.00 0.00 H new ATOM 0 HG SER A 0 14.382 -43.452 16.003 1.00 0.00 H new ATOM 21 N MET A 1 13.174 -40.714 13.766 1.00 0.00 N ATOM 22 CA MET A 1 12.392 -39.509 14.026 1.00 0.00 C ATOM 23 C MET A 1 12.107 -38.747 12.728 1.00 0.00 C ATOM 24 O MET A 1 12.383 -37.552 12.626 1.00 0.00 O ATOM 25 CB MET A 1 13.075 -38.629 15.088 1.00 0.00 C ATOM 26 CG MET A 1 13.346 -39.393 16.390 1.00 0.00 C ATOM 27 SD MET A 1 14.122 -38.419 17.709 1.00 0.00 S ATOM 28 CE MET A 1 12.766 -37.298 18.134 1.00 0.00 C ATOM 0 H MET A 1 12.706 -41.563 14.084 1.00 0.00 H new ATOM 0 HA MET A 1 11.426 -39.806 14.434 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.016 -38.248 14.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.445 -37.765 15.301 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.402 -39.792 16.762 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.986 -40.246 16.165 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.023 -36.741 19.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.598 -36.602 17.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.859 -37.875 18.311 1.00 0.00 H new ATOM 38 N LYS A 2 11.554 -39.450 11.733 1.00 0.00 N ATOM 39 CA LYS A 2 11.243 -38.887 10.428 1.00 0.00 C ATOM 40 C LYS A 2 9.869 -38.215 10.465 1.00 0.00 C ATOM 41 O LYS A 2 8.970 -38.668 11.171 1.00 0.00 O ATOM 42 CB LYS A 2 11.312 -39.979 9.354 1.00 0.00 C ATOM 43 CG LYS A 2 12.642 -40.748 9.338 1.00 0.00 C ATOM 44 CD LYS A 2 13.857 -39.825 9.153 1.00 0.00 C ATOM 45 CE LYS A 2 15.166 -40.616 9.079 1.00 0.00 C ATOM 46 NZ LYS A 2 15.228 -41.415 7.871 1.00 0.00 N ATOM 0 H LYS A 2 11.310 -40.437 11.819 1.00 0.00 H new ATOM 0 HA LYS A 2 11.980 -38.126 10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.497 -40.685 9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.154 -39.525 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.749 -41.301 10.271 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.623 -41.483 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.734 -39.240 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.906 -39.118 9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.011 -39.929 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.252 -41.264 9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.198 -41.763 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.579 -42.223 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.951 -40.833 7.055 1.00 0.00 H new ATOM 59 N LYS A 3 9.727 -37.109 9.725 1.00 0.00 N ATOM 60 CA LYS A 3 8.595 -36.203 9.839 1.00 0.00 C ATOM 61 C LYS A 3 7.351 -36.782 9.163 1.00 0.00 C ATOM 62 O LYS A 3 6.300 -36.859 9.796 1.00 0.00 O ATOM 63 CB LYS A 3 8.951 -34.840 9.225 1.00 0.00 C ATOM 64 CG LYS A 3 9.843 -33.963 10.118 1.00 0.00 C ATOM 65 CD LYS A 3 11.233 -34.559 10.386 1.00 0.00 C ATOM 66 CE LYS A 3 12.182 -33.529 11.009 1.00 0.00 C ATOM 67 NZ LYS A 3 11.700 -33.101 12.309 1.00 0.00 N ATOM 0 H LYS A 3 10.408 -36.821 9.023 1.00 0.00 H new ATOM 0 HA LYS A 3 8.369 -36.071 10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.457 -35.003 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.030 -34.300 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.962 -32.986 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.339 -33.800 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.139 -35.416 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.658 -34.926 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.178 -33.960 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.274 -32.667 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.428 -32.524 12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.835 -32.536 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.491 -33.935 12.894 1.00 0.00 H new ATOM 80 N TRP A 4 7.484 -37.154 7.881 1.00 0.00 N ATOM 81 CA TRP A 4 6.420 -37.638 7.000 1.00 0.00 C ATOM 82 C TRP A 4 5.064 -36.975 7.275 1.00 0.00 C ATOM 83 O TRP A 4 4.045 -37.651 7.413 1.00 0.00 O ATOM 84 CB TRP A 4 6.361 -39.169 7.024 1.00 0.00 C ATOM 85 CG TRP A 4 7.634 -39.860 6.648 1.00 0.00 C ATOM 86 CD1 TRP A 4 8.397 -40.610 7.474 1.00 0.00 C ATOM 87 CD2 TRP A 4 8.319 -39.871 5.359 1.00 0.00 C ATOM 88 NE1 TRP A 4 9.501 -41.084 6.796 1.00 0.00 N ATOM 89 CE2 TRP A 4 9.505 -40.649 5.486 1.00 0.00 C ATOM 90 CE3 TRP A 4 8.058 -39.300 4.093 1.00 0.00 C ATOM 91 CZ2 TRP A 4 10.392 -40.846 4.416 1.00 0.00 C ATOM 92 CZ3 TRP A 4 8.940 -39.493 3.012 1.00 0.00 C ATOM 93 CH2 TRP A 4 10.107 -40.260 3.173 1.00 0.00 C ATOM 0 H TRP A 4 8.388 -37.122 7.409 1.00 0.00 H new ATOM 0 HA TRP A 4 6.669 -37.336 5.983 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.074 -39.490 8.025 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.574 -39.497 6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 4 8.175 -40.809 8.512 1.00 0.00 H new ATOM 0 HE1 TRP A 4 10.220 -41.678 7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.167 -38.706 3.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 11.283 -41.442 4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.718 -39.049 2.053 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.783 -40.398 2.342 1.00 0.00 H new ATOM 104 N SER A 5 5.063 -35.638 7.326 1.00 0.00 N ATOM 105 CA SER A 5 3.876 -34.811 7.472 1.00 0.00 C ATOM 106 C SER A 5 3.458 -34.342 6.080 1.00 0.00 C ATOM 107 O SER A 5 3.720 -33.205 5.690 1.00 0.00 O ATOM 108 CB SER A 5 4.163 -33.653 8.439 1.00 0.00 C ATOM 109 OG SER A 5 5.364 -32.981 8.112 1.00 0.00 O ATOM 0 H SER A 5 5.921 -35.091 7.264 1.00 0.00 H new ATOM 0 HA SER A 5 3.047 -35.370 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.333 -32.946 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.227 -34.037 9.457 1.00 0.00 H new ATOM 0 HG SER A 5 5.362 -32.753 7.159 1.00 0.00 H new ATOM 115 N ASP A 6 2.832 -35.249 5.322 1.00 0.00 N ATOM 116 CA ASP A 6 2.490 -35.064 3.919 1.00 0.00 C ATOM 117 C ASP A 6 1.215 -34.225 3.766 1.00 0.00 C ATOM 118 O ASP A 6 0.234 -34.675 3.177 1.00 0.00 O ATOM 119 CB ASP A 6 2.364 -36.442 3.252 1.00 0.00 C ATOM 120 CG ASP A 6 3.662 -37.241 3.360 1.00 0.00 C ATOM 121 OD1 ASP A 6 3.809 -38.032 4.289 1.00 0.00 O ATOM 122 OD2 ASP A 6 4.593 -37.008 2.391 1.00 0.00 O ATOM 0 H ASP A 6 2.543 -36.158 5.685 1.00 0.00 H new ATOM 0 HA ASP A 6 3.282 -34.507 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.553 -37.000 3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.100 -36.316 2.202 1.00 0.00 H new ATOM 128 N THR A 7 1.244 -32.996 4.294 1.00 0.00 N ATOM 129 CA THR A 7 0.160 -32.027 4.233 1.00 0.00 C ATOM 130 C THR A 7 0.386 -31.079 3.052 1.00 0.00 C ATOM 131 O THR A 7 1.521 -30.886 2.617 1.00 0.00 O ATOM 132 CB THR A 7 0.086 -31.261 5.563 1.00 0.00 C ATOM 133 OG1 THR A 7 1.353 -30.718 5.877 1.00 0.00 O ATOM 134 CG2 THR A 7 -0.355 -32.184 6.705 1.00 0.00 C ATOM 0 H THR A 7 2.059 -32.642 4.794 1.00 0.00 H new ATOM 0 HA THR A 7 -0.792 -32.536 4.080 1.00 0.00 H new ATOM 0 HB THR A 7 -0.647 -30.462 5.450 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.299 -30.230 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.399 -31.617 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.340 -32.593 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.361 -32.999 6.811 1.00 0.00 H new ATOM 142 N GLU A 8 -0.703 -30.509 2.522 1.00 0.00 N ATOM 143 CA GLU A 8 -0.698 -29.631 1.358 1.00 0.00 C ATOM 144 C GLU A 8 -1.735 -28.520 1.545 1.00 0.00 C ATOM 145 O GLU A 8 -2.555 -28.583 2.461 1.00 0.00 O ATOM 146 CB GLU A 8 -1.001 -30.444 0.088 1.00 0.00 C ATOM 147 CG GLU A 8 0.053 -31.525 -0.186 1.00 0.00 C ATOM 148 CD GLU A 8 -0.199 -32.219 -1.520 1.00 0.00 C ATOM 149 OE1 GLU A 8 0.572 -32.029 -2.457 1.00 0.00 O ATOM 150 OE2 GLU A 8 -1.297 -33.026 -1.574 1.00 0.00 O ATOM 0 H GLU A 8 -1.637 -30.654 2.907 1.00 0.00 H new ATOM 0 HA GLU A 8 0.287 -29.176 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.980 -30.913 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.055 -29.769 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.046 -31.075 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.039 -32.261 0.618 1.00 0.00 H new ATOM 158 N VAL A 9 -1.693 -27.515 0.659 1.00 0.00 N ATOM 159 CA VAL A 9 -2.598 -26.369 0.634 1.00 0.00 C ATOM 160 C VAL A 9 -2.522 -25.620 1.969 1.00 0.00 C ATOM 161 O VAL A 9 -3.453 -25.650 2.772 1.00 0.00 O ATOM 162 CB VAL A 9 -4.030 -26.787 0.237 1.00 0.00 C ATOM 163 CG1 VAL A 9 -4.899 -25.549 -0.041 1.00 0.00 C ATOM 164 CG2 VAL A 9 -4.027 -27.658 -1.028 1.00 0.00 C ATOM 0 H VAL A 9 -0.998 -27.482 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.280 -25.672 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.438 -27.356 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.904 -25.865 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.948 -24.930 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.461 -24.973 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.050 -27.936 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.588 -27.098 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.441 -28.559 -0.848 1.00 0.00 H new ATOM 174 N PHE A 10 -1.380 -24.965 2.206 1.00 0.00 N ATOM 175 CA PHE A 10 -1.076 -24.304 3.466 1.00 0.00 C ATOM 176 C PHE A 10 -1.870 -23.002 3.576 1.00 0.00 C ATOM 177 O PHE A 10 -2.703 -22.867 4.470 1.00 0.00 O ATOM 178 CB PHE A 10 0.440 -24.086 3.582 1.00 0.00 C ATOM 179 CG PHE A 10 1.253 -25.328 3.264 1.00 0.00 C ATOM 180 CD1 PHE A 10 1.221 -26.432 4.137 1.00 0.00 C ATOM 181 CD2 PHE A 10 1.927 -25.435 2.031 1.00 0.00 C ATOM 182 CE1 PHE A 10 1.868 -27.629 3.786 1.00 0.00 C ATOM 183 CE2 PHE A 10 2.574 -26.633 1.682 1.00 0.00 C ATOM 184 CZ PHE A 10 2.548 -27.728 2.560 1.00 0.00 C ATOM 0 H PHE A 10 -0.635 -24.882 1.514 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.378 -24.933 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.737 -23.283 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.676 -23.755 4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.698 -26.359 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.946 -24.595 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.843 -28.473 4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.092 -26.711 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.050 -28.646 2.293 1.00 0.00 H new ATOM 194 N GLU A 11 -1.629 -22.067 2.647 1.00 0.00 N ATOM 195 CA GLU A 11 -2.392 -20.841 2.491 1.00 0.00 C ATOM 196 C GLU A 11 -3.002 -20.829 1.091 1.00 0.00 C ATOM 197 O GLU A 11 -2.318 -21.149 0.120 1.00 0.00 O ATOM 198 CB GLU A 11 -1.530 -19.604 2.801 1.00 0.00 C ATOM 199 CG GLU A 11 -0.487 -19.212 1.745 1.00 0.00 C ATOM 200 CD GLU A 11 0.618 -20.250 1.567 1.00 0.00 C ATOM 201 OE1 GLU A 11 1.307 -20.574 2.532 1.00 0.00 O ATOM 202 OE2 GLU A 11 0.768 -20.757 0.311 1.00 0.00 O ATOM 0 H GLU A 11 -0.873 -22.154 1.968 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.207 -20.802 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.196 -18.755 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.012 -19.777 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.989 -19.059 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.038 -18.259 2.025 1.00 0.00 H new ATOM 210 N MET A 12 -4.295 -20.499 0.997 1.00 0.00 N ATOM 211 CA MET A 12 -5.030 -20.467 -0.260 1.00 0.00 C ATOM 212 C MET A 12 -4.993 -19.036 -0.807 1.00 0.00 C ATOM 213 O MET A 12 -3.979 -18.655 -1.388 1.00 0.00 O ATOM 214 CB MET A 12 -6.434 -21.059 -0.047 1.00 0.00 C ATOM 215 CG MET A 12 -7.174 -21.269 -1.374 1.00 0.00 C ATOM 216 SD MET A 12 -8.864 -21.909 -1.211 1.00 0.00 S ATOM 217 CE MET A 12 -8.529 -23.582 -0.602 1.00 0.00 C ATOM 0 H MET A 12 -4.862 -20.244 1.806 1.00 0.00 H new ATOM 0 HA MET A 12 -4.574 -21.094 -1.026 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.351 -22.011 0.477 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.015 -20.394 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 12 -7.210 -20.319 -1.908 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.597 -21.959 -1.990 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.453 -24.161 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.798 -24.065 -1.250 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.135 -23.528 0.413 1.00 0.00 H new ATOM 227 N LEU A 13 -6.067 -18.259 -0.581 1.00 0.00 N ATOM 228 CA LEU A 13 -6.275 -16.847 -0.889 1.00 0.00 C ATOM 229 C LEU A 13 -6.003 -16.397 -2.332 1.00 0.00 C ATOM 230 O LEU A 13 -5.278 -17.051 -3.079 1.00 0.00 O ATOM 231 CB LEU A 13 -5.595 -15.949 0.150 1.00 0.00 C ATOM 232 CG LEU A 13 -4.063 -15.889 0.095 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.636 -14.428 0.209 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.429 -16.674 1.249 1.00 0.00 C ATOM 0 H LEU A 13 -6.893 -18.654 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.355 -16.722 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.982 -14.937 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.889 -16.290 1.143 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.731 -16.331 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.549 -14.363 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.062 -13.859 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.992 -14.018 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.343 -16.610 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.757 -16.252 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.736 -17.718 1.190 1.00 0.00 H new ATOM 246 N LYS A 14 -6.608 -15.265 -2.726 1.00 0.00 N ATOM 247 CA LYS A 14 -6.434 -14.669 -4.047 1.00 0.00 C ATOM 248 C LYS A 14 -5.908 -13.234 -3.950 1.00 0.00 C ATOM 249 O LYS A 14 -5.871 -12.643 -2.871 1.00 0.00 O ATOM 250 CB LYS A 14 -7.719 -14.800 -4.880 1.00 0.00 C ATOM 251 CG LYS A 14 -8.757 -13.678 -4.760 1.00 0.00 C ATOM 252 CD LYS A 14 -9.332 -13.524 -3.350 1.00 0.00 C ATOM 253 CE LYS A 14 -10.677 -12.787 -3.369 1.00 0.00 C ATOM 254 NZ LYS A 14 -11.703 -13.584 -4.014 1.00 0.00 N ATOM 0 H LYS A 14 -7.239 -14.736 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.665 -15.226 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.433 -14.883 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.203 -15.737 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.298 -12.736 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.572 -13.873 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.461 -14.508 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.625 -12.978 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.982 -12.554 -2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.567 -11.838 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.634 -13.332 -3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.694 -13.399 -5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.518 -14.593 -3.843 1.00 0.00 H new ATOM 267 N ARG A 15 -5.486 -12.688 -5.094 1.00 0.00 N ATOM 268 CA ARG A 15 -4.854 -11.391 -5.207 1.00 0.00 C ATOM 269 C ARG A 15 -5.891 -10.336 -5.591 1.00 0.00 C ATOM 270 O ARG A 15 -6.171 -10.145 -6.771 1.00 0.00 O ATOM 271 CB ARG A 15 -3.738 -11.530 -6.246 1.00 0.00 C ATOM 272 CG ARG A 15 -3.069 -10.206 -6.607 1.00 0.00 C ATOM 273 CD ARG A 15 -1.760 -10.429 -7.379 1.00 0.00 C ATOM 274 NE ARG A 15 -1.957 -11.264 -8.573 1.00 0.00 N ATOM 275 CZ ARG A 15 -0.989 -11.621 -9.434 1.00 0.00 C ATOM 276 NH1 ARG A 15 0.263 -11.166 -9.288 1.00 0.00 N ATOM 277 NH2 ARG A 15 -1.284 -12.448 -10.445 1.00 0.00 N ATOM 0 H ARG A 15 -5.583 -13.161 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.425 -11.061 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.982 -12.217 -5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.149 -11.978 -7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.750 -9.605 -7.210 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.865 -9.641 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.346 -9.465 -7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.029 -10.902 -6.723 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.902 -11.598 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.491 -10.540 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.988 -11.445 -9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.235 -12.800 -10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.558 -12.726 -11.105 1.00 0.00 H new ATOM 291 N MET A 16 -6.412 -9.604 -4.602 1.00 0.00 N ATOM 292 CA MET A 16 -7.081 -8.337 -4.859 1.00 0.00 C ATOM 293 C MET A 16 -6.066 -7.362 -5.458 1.00 0.00 C ATOM 294 O MET A 16 -4.861 -7.463 -5.229 1.00 0.00 O ATOM 295 CB MET A 16 -7.703 -7.790 -3.569 1.00 0.00 C ATOM 296 CG MET A 16 -8.560 -6.518 -3.698 1.00 0.00 C ATOM 297 SD MET A 16 -8.274 -5.305 -2.377 1.00 0.00 S ATOM 298 CE MET A 16 -6.924 -4.352 -3.114 1.00 0.00 C ATOM 0 H MET A 16 -6.381 -9.872 -3.618 1.00 0.00 H new ATOM 0 HA MET A 16 -7.895 -8.478 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.321 -8.573 -3.131 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.898 -7.587 -2.863 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.355 -6.049 -4.660 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.613 -6.799 -3.699 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.156 -4.167 -2.362 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.493 -4.913 -3.943 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.309 -3.400 -3.481 1.00 0.00 H new ATOM 308 N TYR A 17 -6.578 -6.426 -6.251 1.00 0.00 N ATOM 309 CA TYR A 17 -5.796 -5.415 -6.932 1.00 0.00 C ATOM 310 C TYR A 17 -6.650 -4.162 -7.095 1.00 0.00 C ATOM 311 O TYR A 17 -7.738 -4.231 -7.665 1.00 0.00 O ATOM 312 CB TYR A 17 -5.317 -5.970 -8.276 1.00 0.00 C ATOM 313 CG TYR A 17 -4.737 -4.931 -9.214 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.530 -4.288 -8.890 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.407 -4.604 -10.408 1.00 0.00 C ATOM 316 CE1 TYR A 17 -2.964 -3.367 -9.786 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.849 -3.666 -11.295 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.619 -3.060 -10.991 1.00 0.00 C ATOM 319 OH TYR A 17 -3.053 -2.181 -11.868 1.00 0.00 O ATOM 0 H TYR A 17 -7.578 -6.353 -6.439 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.912 -5.146 -6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.563 -6.735 -8.091 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.155 -6.461 -8.771 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.038 -4.502 -7.953 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.351 -5.074 -10.643 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.023 -2.893 -9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.366 -3.412 -12.209 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.634 -2.081 -12.651 1.00 0.00 H new ATOM 329 N ALA A 18 -6.149 -3.028 -6.586 1.00 0.00 N ATOM 330 CA ALA A 18 -6.799 -1.732 -6.686 1.00 0.00 C ATOM 331 C ALA A 18 -5.852 -0.701 -7.279 1.00 0.00 C ATOM 332 O ALA A 18 -4.828 -0.366 -6.688 1.00 0.00 O ATOM 333 CB ALA A 18 -7.297 -1.263 -5.323 1.00 0.00 C ATOM 0 H ALA A 18 -5.261 -2.995 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.658 -1.841 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.779 -0.291 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.014 -1.984 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.454 -1.179 -4.637 1.00 0.00 H new ATOM 339 N ARG A 19 -6.235 -0.184 -8.446 1.00 0.00 N ATOM 340 CA ARG A 19 -5.539 0.857 -9.167 1.00 0.00 C ATOM 341 C ARG A 19 -6.117 2.204 -8.724 1.00 0.00 C ATOM 342 O ARG A 19 -7.127 2.652 -9.266 1.00 0.00 O ATOM 343 CB ARG A 19 -5.746 0.594 -10.665 1.00 0.00 C ATOM 344 CG ARG A 19 -5.027 1.603 -11.561 1.00 0.00 C ATOM 345 CD ARG A 19 -3.507 1.473 -11.472 1.00 0.00 C ATOM 346 NE ARG A 19 -2.862 2.315 -12.489 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.596 2.190 -12.924 1.00 0.00 C ATOM 348 NH1 ARG A 19 -0.818 1.186 -12.499 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.108 3.082 -13.797 1.00 0.00 N ATOM 0 H ARG A 19 -7.077 -0.500 -8.928 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.468 0.870 -8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.393 -0.409 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.813 0.617 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.343 1.458 -12.594 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.321 2.613 -11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.168 1.767 -10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.215 0.432 -11.614 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.424 3.060 -12.901 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.184 0.503 -11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.140 1.105 -12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.696 3.848 -14.126 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.149 2.995 -14.132 1.00 0.00 H new ATOM 363 N VAL A 20 -5.500 2.826 -7.713 1.00 0.00 N ATOM 364 CA VAL A 20 -6.023 4.028 -7.078 1.00 0.00 C ATOM 365 C VAL A 20 -5.501 5.259 -7.824 1.00 0.00 C ATOM 366 O VAL A 20 -4.301 5.537 -7.778 1.00 0.00 O ATOM 367 CB VAL A 20 -5.636 4.065 -5.588 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.485 5.096 -4.835 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.793 2.702 -4.898 1.00 0.00 C ATOM 0 H VAL A 20 -4.619 2.503 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.112 4.025 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.582 4.343 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.196 5.107 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.324 6.084 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.539 4.831 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.506 2.789 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.832 2.378 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.153 1.969 -5.390 1.00 0.00 H new ATOM 379 N TYR A 21 -6.393 5.989 -8.506 1.00 0.00 N ATOM 380 CA TYR A 21 -6.040 7.203 -9.238 1.00 0.00 C ATOM 381 C TYR A 21 -6.335 8.454 -8.417 1.00 0.00 C ATOM 382 O TYR A 21 -7.299 8.479 -7.654 1.00 0.00 O ATOM 383 CB TYR A 21 -6.803 7.282 -10.565 1.00 0.00 C ATOM 384 CG TYR A 21 -6.414 6.224 -11.576 1.00 0.00 C ATOM 385 CD1 TYR A 21 -5.170 6.313 -12.226 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.284 5.159 -11.875 1.00 0.00 C ATOM 387 CE1 TYR A 21 -4.795 5.337 -13.162 1.00 0.00 C ATOM 388 CE2 TYR A 21 -6.919 4.196 -12.830 1.00 0.00 C ATOM 389 CZ TYR A 21 -5.675 4.289 -13.479 1.00 0.00 C ATOM 390 OH TYR A 21 -5.303 3.355 -14.401 1.00 0.00 O ATOM 0 H TYR A 21 -7.383 5.750 -8.563 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.969 7.156 -9.437 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.870 7.197 -10.362 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.640 8.265 -11.006 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.503 7.133 -12.005 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.235 5.082 -11.369 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.828 5.392 -13.640 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.593 3.385 -13.066 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.021 2.696 -14.507 1.00 0.00 H new ATOM 400 N GLY A 22 -5.541 9.510 -8.642 1.00 0.00 N ATOM 401 CA GLY A 22 -5.810 10.865 -8.185 1.00 0.00 C ATOM 402 C GLY A 22 -4.603 11.479 -7.492 1.00 0.00 C ATOM 403 O GLY A 22 -3.466 11.075 -7.731 1.00 0.00 O ATOM 0 H GLY A 22 -4.668 9.434 -9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.095 11.485 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.657 10.856 -7.499 1.00 0.00 H new ATOM 407 N LEU A 23 -4.872 12.434 -6.593 1.00 0.00 N ATOM 408 CA LEU A 23 -3.863 13.110 -5.787 1.00 0.00 C ATOM 409 C LEU A 23 -3.425 12.252 -4.590 1.00 0.00 C ATOM 410 O LEU A 23 -2.766 12.746 -3.681 1.00 0.00 O ATOM 411 CB LEU A 23 -4.423 14.469 -5.350 1.00 0.00 C ATOM 412 CG LEU A 23 -3.372 15.519 -4.946 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.716 16.155 -6.177 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.047 16.615 -4.111 1.00 0.00 C ATOM 0 H LEU A 23 -5.820 12.761 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.964 13.268 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.022 14.875 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.096 14.311 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.597 15.020 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.979 16.892 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.224 15.382 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.478 16.644 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.306 17.361 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.831 17.091 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.484 16.173 -3.216 1.00 0.00 H new ATOM 426 N VAL A 24 -3.749 10.953 -4.599 1.00 0.00 N ATOM 427 CA VAL A 24 -3.441 9.996 -3.535 1.00 0.00 C ATOM 428 C VAL A 24 -1.958 9.587 -3.508 1.00 0.00 C ATOM 429 O VAL A 24 -1.617 8.521 -2.994 1.00 0.00 O ATOM 430 CB VAL A 24 -4.340 8.758 -3.717 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.821 9.113 -3.541 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.138 8.114 -5.096 1.00 0.00 C ATOM 0 H VAL A 24 -4.251 10.526 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.638 10.477 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.049 8.045 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.428 8.218 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.983 9.514 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.107 9.860 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.788 7.244 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.384 8.836 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.099 7.804 -5.204 1.00 0.00 H new ATOM 442 N GLN A 25 -1.074 10.408 -4.084 1.00 0.00 N ATOM 443 CA GLN A 25 0.242 9.991 -4.527 1.00 0.00 C ATOM 444 C GLN A 25 1.300 10.340 -3.481 1.00 0.00 C ATOM 445 O GLN A 25 2.245 11.084 -3.735 1.00 0.00 O ATOM 446 CB GLN A 25 0.480 10.599 -5.910 1.00 0.00 C ATOM 447 CG GLN A 25 1.324 9.673 -6.790 1.00 0.00 C ATOM 448 CD GLN A 25 0.650 8.329 -7.088 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.560 8.173 -6.941 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.443 7.344 -7.507 1.00 0.00 N ATOM 0 H GLN A 25 -1.265 11.395 -4.254 1.00 0.00 H new ATOM 0 HA GLN A 25 0.313 8.908 -4.629 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.477 10.791 -6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.982 11.561 -5.805 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.541 10.178 -7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.280 9.490 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.444 7.507 -7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.050 6.427 -7.716 1.00 0.00 H new ATOM 459 N GLY A 26 1.109 9.768 -2.291 1.00 0.00 N ATOM 460 CA GLY A 26 1.949 9.959 -1.121 1.00 0.00 C ATOM 461 C GLY A 26 1.372 11.029 -0.200 1.00 0.00 C ATOM 462 O GLY A 26 2.020 12.043 0.054 1.00 0.00 O ATOM 0 H GLY A 26 0.330 9.133 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.041 9.018 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.953 10.246 -1.433 1.00 0.00 H new ATOM 466 N VAL A 27 0.158 10.785 0.309 1.00 0.00 N ATOM 467 CA VAL A 27 -0.539 11.672 1.231 1.00 0.00 C ATOM 468 C VAL A 27 -1.657 10.881 1.925 1.00 0.00 C ATOM 469 O VAL A 27 -2.712 10.637 1.340 1.00 0.00 O ATOM 470 CB VAL A 27 -1.020 12.945 0.504 1.00 0.00 C ATOM 471 CG1 VAL A 27 -1.668 12.668 -0.861 1.00 0.00 C ATOM 472 CG2 VAL A 27 -1.965 13.775 1.381 1.00 0.00 C ATOM 0 H VAL A 27 -0.374 9.945 0.082 1.00 0.00 H new ATOM 0 HA VAL A 27 0.133 12.030 2.011 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.116 13.523 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.981 13.609 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.947 12.175 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.536 12.023 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.282 14.663 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.839 13.178 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.447 14.075 2.292 1.00 0.00 H new ATOM 482 N GLY A 28 -1.408 10.455 3.172 1.00 0.00 N ATOM 483 CA GLY A 28 -2.343 9.678 3.976 1.00 0.00 C ATOM 484 C GLY A 28 -2.342 8.210 3.556 1.00 0.00 C ATOM 485 O GLY A 28 -1.987 7.331 4.340 1.00 0.00 O ATOM 0 H GLY A 28 -0.530 10.649 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.075 9.758 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.347 10.089 3.870 1.00 0.00 H new ATOM 489 N PHE A 29 -2.735 7.956 2.303 1.00 0.00 N ATOM 490 CA PHE A 29 -2.727 6.637 1.692 1.00 0.00 C ATOM 491 C PHE A 29 -1.294 6.100 1.575 1.00 0.00 C ATOM 492 O PHE A 29 -0.343 6.811 1.898 1.00 0.00 O ATOM 493 CB PHE A 29 -3.433 6.717 0.333 1.00 0.00 C ATOM 494 CG PHE A 29 -3.904 5.381 -0.202 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.971 4.711 0.425 1.00 0.00 C ATOM 496 CD2 PHE A 29 -3.240 4.779 -1.284 1.00 0.00 C ATOM 497 CE1 PHE A 29 -5.384 3.449 -0.040 1.00 0.00 C ATOM 498 CE2 PHE A 29 -3.647 3.517 -1.744 1.00 0.00 C ATOM 499 CZ PHE A 29 -4.715 2.848 -1.120 1.00 0.00 C ATOM 0 H PHE A 29 -3.075 8.685 1.676 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.269 5.930 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.291 7.383 0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.753 7.166 -0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.474 5.167 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.416 5.288 -1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.213 2.943 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.139 3.059 -2.579 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.021 1.873 -1.470 1.00 0.00 H new ATOM 509 N ARG A 30 -1.154 4.831 1.164 1.00 0.00 N ATOM 510 CA ARG A 30 0.069 4.031 1.206 1.00 0.00 C ATOM 511 C ARG A 30 0.335 3.563 2.632 1.00 0.00 C ATOM 512 O ARG A 30 0.377 2.363 2.893 1.00 0.00 O ATOM 513 CB ARG A 30 1.306 4.739 0.633 1.00 0.00 C ATOM 514 CG ARG A 30 1.154 5.058 -0.857 1.00 0.00 C ATOM 515 CD ARG A 30 2.329 5.913 -1.334 1.00 0.00 C ATOM 516 NE ARG A 30 3.619 5.230 -1.165 1.00 0.00 N ATOM 517 CZ ARG A 30 4.814 5.748 -1.492 1.00 0.00 C ATOM 518 NH1 ARG A 30 4.902 6.907 -2.157 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.925 5.095 -1.134 1.00 0.00 N ATOM 0 H ARG A 30 -1.939 4.310 0.772 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.106 3.175 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.481 5.663 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.183 4.109 0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.110 4.133 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.216 5.586 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.189 6.166 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.342 6.851 -0.780 1.00 0.00 H new ATOM 0 HE ARG A 30 3.606 4.290 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.054 7.409 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.817 7.288 -2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.857 4.217 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.840 5.475 -1.375 1.00 0.00 H new ATOM 533 N LYS A 31 0.511 4.519 3.551 1.00 0.00 N ATOM 534 CA LYS A 31 0.772 4.246 4.950 1.00 0.00 C ATOM 535 C LYS A 31 -0.518 3.765 5.629 1.00 0.00 C ATOM 536 O LYS A 31 -0.500 2.765 6.339 1.00 0.00 O ATOM 537 CB LYS A 31 1.375 5.488 5.625 1.00 0.00 C ATOM 538 CG LYS A 31 2.533 5.154 6.575 1.00 0.00 C ATOM 539 CD LYS A 31 2.120 4.258 7.747 1.00 0.00 C ATOM 540 CE LYS A 31 3.289 4.102 8.724 1.00 0.00 C ATOM 541 NZ LYS A 31 2.909 3.233 9.821 1.00 0.00 N ATOM 0 H LYS A 31 0.474 5.514 3.331 1.00 0.00 H new ATOM 0 HA LYS A 31 1.507 3.447 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.730 6.175 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.594 6.007 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.325 4.660 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.951 6.081 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.261 4.690 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.812 3.280 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.154 3.689 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.584 5.078 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.709 3.134 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.097 3.644 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.649 2.298 9.449 1.00 0.00 H new ATOM 554 N PHE A 32 -1.651 4.444 5.404 1.00 0.00 N ATOM 555 CA PHE A 32 -2.933 4.019 5.961 1.00 0.00 C ATOM 556 C PHE A 32 -3.244 2.565 5.585 1.00 0.00 C ATOM 557 O PHE A 32 -3.545 1.742 6.450 1.00 0.00 O ATOM 558 CB PHE A 32 -4.043 4.957 5.467 1.00 0.00 C ATOM 559 CG PHE A 32 -5.447 4.737 6.018 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.684 3.962 7.173 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.518 5.434 5.429 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.972 3.884 7.726 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.794 5.398 6.014 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.026 4.616 7.157 1.00 0.00 C ATOM 0 H PHE A 32 -1.701 5.291 4.838 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.877 4.072 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.747 5.980 5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.092 4.878 4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.869 3.425 7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.358 5.999 4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.152 3.261 8.589 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.600 5.974 5.583 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.012 4.578 7.597 1.00 0.00 H new ATOM 574 N VAL A 33 -3.153 2.242 4.290 1.00 0.00 N ATOM 575 CA VAL A 33 -3.421 0.895 3.806 1.00 0.00 C ATOM 576 C VAL A 33 -2.369 -0.113 4.291 1.00 0.00 C ATOM 577 O VAL A 33 -2.675 -1.301 4.362 1.00 0.00 O ATOM 578 CB VAL A 33 -3.645 0.901 2.281 1.00 0.00 C ATOM 579 CG1 VAL A 33 -2.370 1.188 1.485 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.283 -0.409 1.804 1.00 0.00 C ATOM 0 H VAL A 33 -2.894 2.904 3.559 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.354 0.544 4.246 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.334 1.723 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.597 1.178 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.980 2.167 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.624 0.424 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.427 -0.371 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.629 -1.244 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.247 -0.544 2.294 1.00 0.00 H new ATOM 590 N GLN A 34 -1.172 0.349 4.689 1.00 0.00 N ATOM 591 CA GLN A 34 -0.190 -0.485 5.375 1.00 0.00 C ATOM 592 C GLN A 34 -0.800 -1.027 6.664 1.00 0.00 C ATOM 593 O GLN A 34 -0.907 -2.238 6.805 1.00 0.00 O ATOM 594 CB GLN A 34 1.108 0.298 5.660 1.00 0.00 C ATOM 595 CG GLN A 34 2.302 -0.583 6.044 1.00 0.00 C ATOM 596 CD GLN A 34 3.000 -1.248 4.861 1.00 0.00 C ATOM 597 OE1 GLN A 34 2.408 -1.197 3.667 1.00 0.00 O flip ATOM 598 NE2 GLN A 34 4.082 -1.803 5.031 1.00 0.00 N flip ATOM 0 H GLN A 34 -0.865 1.310 4.541 1.00 0.00 H new ATOM 0 HA GLN A 34 0.077 -1.321 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.370 0.880 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.921 1.008 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.028 0.025 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.961 -1.357 6.731 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.505 -1.822 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.558 -2.245 4.244 1.00 0.00 H new ATOM 607 N ILE A 35 -1.211 -0.148 7.586 1.00 0.00 N ATOM 608 CA ILE A 35 -1.765 -0.530 8.883 1.00 0.00 C ATOM 609 C ILE A 35 -2.803 -1.638 8.752 1.00 0.00 C ATOM 610 O ILE A 35 -2.696 -2.658 9.426 1.00 0.00 O ATOM 611 CB ILE A 35 -2.369 0.709 9.579 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.335 1.821 9.835 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.085 0.332 10.884 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.144 1.378 10.688 1.00 0.00 C ATOM 0 H ILE A 35 -1.166 0.861 7.447 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.954 -0.924 9.495 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.104 1.111 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.966 2.188 8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.831 2.658 10.328 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.497 1.229 11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.892 -0.368 10.667 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.375 -0.134 11.567 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.539 2.217 10.823 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.499 1.039 11.661 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.378 0.562 10.188 1.00 0.00 H new ATOM 626 N HIS A 36 -3.800 -1.440 7.888 1.00 0.00 N ATOM 627 CA HIS A 36 -4.889 -2.390 7.760 1.00 0.00 C ATOM 628 C HIS A 36 -4.395 -3.683 7.122 1.00 0.00 C ATOM 629 O HIS A 36 -4.666 -4.751 7.658 1.00 0.00 O ATOM 630 CB HIS A 36 -6.074 -1.748 7.039 1.00 0.00 C ATOM 631 CG HIS A 36 -6.868 -0.869 7.975 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.166 -1.211 8.352 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.499 0.266 8.654 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.537 -0.266 9.218 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.569 0.639 9.438 1.00 0.00 N ATOM 0 H HIS A 36 -3.870 -0.631 7.271 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.258 -2.669 8.747 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.714 -1.157 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.719 -2.525 6.630 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.547 0.772 8.586 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.508 -0.232 9.690 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.617 1.444 10.063 1.00 0.00 H new ATOM 643 N ALA A 37 -3.631 -3.601 6.026 1.00 0.00 N ATOM 644 CA ALA A 37 -3.020 -4.768 5.402 1.00 0.00 C ATOM 645 C ALA A 37 -2.262 -5.635 6.415 1.00 0.00 C ATOM 646 O ALA A 37 -2.491 -6.837 6.510 1.00 0.00 O ATOM 647 CB ALA A 37 -2.064 -4.299 4.303 1.00 0.00 C ATOM 0 H ALA A 37 -3.423 -2.722 5.552 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.815 -5.384 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.601 -5.165 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.619 -3.730 3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.290 -3.667 4.739 1.00 0.00 H new ATOM 653 N ILE A 38 -1.365 -5.006 7.175 1.00 0.00 N ATOM 654 CA ILE A 38 -0.488 -5.641 8.145 1.00 0.00 C ATOM 655 C ILE A 38 -1.295 -6.210 9.314 1.00 0.00 C ATOM 656 O ILE A 38 -1.008 -7.318 9.765 1.00 0.00 O ATOM 657 CB ILE A 38 0.620 -4.643 8.557 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.858 -4.792 7.651 1.00 0.00 C ATOM 659 CG2 ILE A 38 1.058 -4.778 10.022 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.580 -4.532 6.168 1.00 0.00 C ATOM 0 H ILE A 38 -1.228 -3.996 7.125 1.00 0.00 H new ATOM 0 HA ILE A 38 0.015 -6.502 7.705 1.00 0.00 H new ATOM 0 HB ILE A 38 0.176 -3.655 8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.630 -4.102 7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.259 -5.799 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.837 -4.047 10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.203 -4.601 10.675 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.445 -5.782 10.195 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.501 -4.657 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.832 -5.239 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.209 -3.515 6.040 1.00 0.00 H new ATOM 672 N ARG A 39 -2.319 -5.490 9.791 1.00 0.00 N ATOM 673 CA ARG A 39 -3.193 -5.970 10.846 1.00 0.00 C ATOM 674 C ARG A 39 -4.007 -7.187 10.398 1.00 0.00 C ATOM 675 O ARG A 39 -4.158 -8.141 11.160 1.00 0.00 O ATOM 676 CB ARG A 39 -4.053 -4.801 11.338 1.00 0.00 C ATOM 677 CG ARG A 39 -4.683 -5.065 12.703 1.00 0.00 C ATOM 678 CD ARG A 39 -6.084 -5.683 12.623 1.00 0.00 C ATOM 679 NE ARG A 39 -6.546 -6.132 13.944 1.00 0.00 N ATOM 680 CZ ARG A 39 -6.954 -5.335 14.947 1.00 0.00 C ATOM 681 NH1 ARG A 39 -7.022 -4.006 14.788 1.00 0.00 N ATOM 682 NH2 ARG A 39 -7.296 -5.879 16.123 1.00 0.00 N ATOM 0 H ARG A 39 -2.557 -4.559 9.450 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.601 -6.330 11.688 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.439 -3.902 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.841 -4.604 10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.033 -5.731 13.271 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.740 -4.127 13.255 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.784 -4.951 12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.073 -6.527 11.933 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.558 -7.137 14.115 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.762 -3.585 13.896 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.334 -3.415 15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.246 -6.890 16.251 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.607 -5.282 16.890 1.00 0.00 H new ATOM 696 N LEU A 40 -4.517 -7.162 9.165 1.00 0.00 N ATOM 697 CA LEU A 40 -5.387 -8.191 8.613 1.00 0.00 C ATOM 698 C LEU A 40 -4.609 -9.313 7.905 1.00 0.00 C ATOM 699 O LEU A 40 -5.224 -10.146 7.242 1.00 0.00 O ATOM 700 CB LEU A 40 -6.400 -7.520 7.681 1.00 0.00 C ATOM 701 CG LEU A 40 -7.245 -6.462 8.412 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.010 -5.663 7.363 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.215 -7.092 9.420 1.00 0.00 C ATOM 0 H LEU A 40 -4.329 -6.404 8.509 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.911 -8.684 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.873 -7.052 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.058 -8.278 7.255 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.583 -5.812 8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.618 -4.904 7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.304 -5.180 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.655 -6.333 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.790 -6.307 9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.894 -7.767 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.651 -7.651 10.167 1.00 0.00 H new ATOM 715 N GLY A 41 -3.278 -9.360 8.058 1.00 0.00 N ATOM 716 CA GLY A 41 -2.441 -10.428 7.529 1.00 0.00 C ATOM 717 C GLY A 41 -2.500 -10.505 6.003 1.00 0.00 C ATOM 718 O GLY A 41 -2.823 -11.555 5.449 1.00 0.00 O ATOM 0 H GLY A 41 -2.753 -8.644 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.410 -10.269 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.760 -11.381 7.952 1.00 0.00 H new ATOM 722 N ILE A 42 -2.184 -9.390 5.338 1.00 0.00 N ATOM 723 CA ILE A 42 -2.199 -9.238 3.893 1.00 0.00 C ATOM 724 C ILE A 42 -0.770 -9.022 3.407 1.00 0.00 C ATOM 725 O ILE A 42 -0.003 -8.277 4.015 1.00 0.00 O ATOM 726 CB ILE A 42 -3.092 -8.050 3.497 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.544 -8.218 3.968 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.048 -7.736 1.998 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.293 -9.392 3.336 1.00 0.00 C ATOM 0 H ILE A 42 -1.900 -8.537 5.819 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.606 -10.136 3.429 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.667 -7.194 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.547 -8.344 5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.089 -7.299 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.699 -6.888 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.026 -7.491 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.387 -8.605 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.309 -9.430 3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.328 -9.262 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.777 -10.323 3.573 1.00 0.00 H new ATOM 741 N LYS A 43 -0.449 -9.667 2.285 1.00 0.00 N ATOM 742 CA LYS A 43 0.809 -9.528 1.562 1.00 0.00 C ATOM 743 C LYS A 43 0.517 -8.770 0.265 1.00 0.00 C ATOM 744 O LYS A 43 -0.645 -8.577 -0.072 1.00 0.00 O ATOM 745 CB LYS A 43 1.400 -10.910 1.271 1.00 0.00 C ATOM 746 CG LYS A 43 1.390 -11.816 2.516 1.00 0.00 C ATOM 747 CD LYS A 43 1.960 -13.214 2.245 1.00 0.00 C ATOM 748 CE LYS A 43 0.897 -14.310 2.081 1.00 0.00 C ATOM 749 NZ LYS A 43 0.104 -14.120 0.881 1.00 0.00 N ATOM 0 H LYS A 43 -1.087 -10.327 1.839 1.00 0.00 H new ATOM 0 HA LYS A 43 1.540 -8.978 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.832 -11.386 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.423 -10.798 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.968 -11.341 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.367 -11.911 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.568 -13.176 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.624 -13.488 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.383 -15.285 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.242 -14.314 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.532 -14.933 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.459 -13.250 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.734 -14.040 0.057 1.00 0.00 H new ATOM 762 N GLY A 44 1.541 -8.334 -0.471 1.00 0.00 N ATOM 763 CA GLY A 44 1.347 -7.650 -1.745 1.00 0.00 C ATOM 764 C GLY A 44 2.345 -6.512 -1.884 1.00 0.00 C ATOM 765 O GLY A 44 3.505 -6.690 -1.518 1.00 0.00 O ATOM 0 H GLY A 44 2.519 -8.445 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.470 -8.355 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.330 -7.262 -1.807 1.00 0.00 H new ATOM 769 N TYR A 45 1.904 -5.356 -2.402 1.00 0.00 N ATOM 770 CA TYR A 45 2.763 -4.185 -2.568 1.00 0.00 C ATOM 771 C TYR A 45 1.965 -2.985 -3.076 1.00 0.00 C ATOM 772 O TYR A 45 1.092 -3.137 -3.929 1.00 0.00 O ATOM 773 CB TYR A 45 3.890 -4.482 -3.566 1.00 0.00 C ATOM 774 CG TYR A 45 5.184 -3.724 -3.359 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.033 -4.081 -2.292 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.666 -2.885 -4.378 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.345 -3.580 -2.234 1.00 0.00 C ATOM 778 CE2 TYR A 45 6.988 -2.413 -4.338 1.00 0.00 C ATOM 779 CZ TYR A 45 7.823 -2.747 -3.258 1.00 0.00 C ATOM 780 OH TYR A 45 9.100 -2.268 -3.211 1.00 0.00 O ATOM 0 H TYR A 45 0.944 -5.212 -2.715 1.00 0.00 H new ATOM 0 HA TYR A 45 3.185 -3.950 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.108 -5.549 -3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.524 -4.267 -4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.674 -4.742 -1.517 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.018 -2.602 -5.194 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.985 -3.836 -1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.364 -1.793 -5.138 1.00 0.00 H new ATOM 0 HH TYR A 45 9.269 -1.708 -3.998 1.00 0.00 H new ATOM 790 N ALA A 46 2.298 -1.797 -2.562 1.00 0.00 N ATOM 791 CA ALA A 46 1.653 -0.528 -2.886 1.00 0.00 C ATOM 792 C ALA A 46 2.615 0.368 -3.667 1.00 0.00 C ATOM 793 O ALA A 46 3.332 1.172 -3.075 1.00 0.00 O ATOM 794 CB ALA A 46 1.169 0.134 -1.591 1.00 0.00 C ATOM 0 H ALA A 46 3.053 -1.693 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 46 0.786 -0.699 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.686 1.083 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.456 -0.522 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.020 0.313 -0.934 1.00 0.00 H new ATOM 800 N LYS A 47 2.640 0.219 -4.997 1.00 0.00 N ATOM 801 CA LYS A 47 3.630 0.855 -5.853 1.00 0.00 C ATOM 802 C LYS A 47 3.106 2.194 -6.360 1.00 0.00 C ATOM 803 O LYS A 47 2.186 2.252 -7.174 1.00 0.00 O ATOM 804 CB LYS A 47 4.089 -0.109 -6.955 1.00 0.00 C ATOM 805 CG LYS A 47 4.670 0.591 -8.193 1.00 0.00 C ATOM 806 CD LYS A 47 5.340 -0.379 -9.173 1.00 0.00 C ATOM 807 CE LYS A 47 6.691 -0.897 -8.661 1.00 0.00 C ATOM 808 NZ LYS A 47 7.326 -1.693 -9.692 1.00 0.00 N ATOM 0 H LYS A 47 1.966 -0.352 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 47 4.528 1.087 -5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.841 -0.783 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.243 -0.724 -7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.872 1.126 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.398 1.336 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.676 -1.224 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.486 0.121 -10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.333 -0.060 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.546 -1.496 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.241 -2.044 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.715 -2.499 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.478 -1.108 -10.538 1.00 0.00 H new ATOM 821 N ASN A 48 3.717 3.266 -5.850 1.00 0.00 N ATOM 822 CA ASN A 48 3.424 4.644 -6.183 1.00 0.00 C ATOM 823 C ASN A 48 4.316 5.082 -7.345 1.00 0.00 C ATOM 824 O ASN A 48 5.452 5.495 -7.118 1.00 0.00 O ATOM 825 CB ASN A 48 3.674 5.486 -4.924 1.00 0.00 C ATOM 826 CG ASN A 48 3.370 6.972 -5.075 1.00 0.00 C ATOM 827 OD1 ASN A 48 2.370 7.458 -4.555 1.00 0.00 O ATOM 828 ND2 ASN A 48 4.265 7.712 -5.733 1.00 0.00 N ATOM 0 H ASN A 48 4.464 3.182 -5.161 1.00 0.00 H new ATOM 0 HA ASN A 48 2.389 4.772 -6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.067 5.087 -4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.717 5.372 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.130 8.720 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.084 7.270 -6.151 1.00 0.00 H new ATOM 835 N LEU A 49 3.801 5.032 -8.580 1.00 0.00 N ATOM 836 CA LEU A 49 4.432 5.650 -9.733 1.00 0.00 C ATOM 837 C LEU A 49 4.131 7.150 -9.655 1.00 0.00 C ATOM 838 O LEU A 49 2.965 7.514 -9.781 1.00 0.00 O ATOM 839 CB LEU A 49 3.859 5.050 -11.021 1.00 0.00 C ATOM 840 CG LEU A 49 4.083 3.531 -11.106 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.773 2.781 -10.851 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.627 3.140 -12.483 1.00 0.00 C ATOM 0 H LEU A 49 2.927 4.555 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 49 5.508 5.476 -9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.791 5.261 -11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.322 5.532 -11.882 1.00 0.00 H new ATOM 0 HG LEU A 49 4.811 3.258 -10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.950 1.707 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.399 3.029 -9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.035 3.072 -11.599 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.778 2.061 -12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.914 3.434 -13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.577 3.646 -12.656 1.00 0.00 H new ATOM 854 N PRO A 50 5.124 8.017 -9.391 1.00 0.00 N ATOM 855 CA PRO A 50 4.898 9.380 -8.927 1.00 0.00 C ATOM 856 C PRO A 50 4.388 10.294 -10.047 1.00 0.00 C ATOM 857 O PRO A 50 5.134 11.091 -10.611 1.00 0.00 O ATOM 858 CB PRO A 50 6.240 9.830 -8.342 1.00 0.00 C ATOM 859 CG PRO A 50 7.253 9.045 -9.174 1.00 0.00 C ATOM 860 CD PRO A 50 6.543 7.707 -9.375 1.00 0.00 C ATOM 0 HA PRO A 50 4.111 9.431 -8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.383 10.906 -8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.318 9.593 -7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.469 9.537 -10.122 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.203 8.927 -8.653 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.852 7.236 -10.308 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.783 7.011 -8.571 1.00 0.00 H new ATOM 868 N ASP A 51 3.086 10.180 -10.330 1.00 0.00 N ATOM 869 CA ASP A 51 2.327 11.023 -11.237 1.00 0.00 C ATOM 870 C ASP A 51 0.950 11.215 -10.599 1.00 0.00 C ATOM 871 O ASP A 51 0.687 12.260 -10.008 1.00 0.00 O ATOM 872 CB ASP A 51 2.253 10.380 -12.631 1.00 0.00 C ATOM 873 CG ASP A 51 3.620 10.344 -13.309 1.00 0.00 C ATOM 874 OD1 ASP A 51 3.965 11.282 -14.023 1.00 0.00 O ATOM 875 OD2 ASP A 51 4.379 9.236 -13.067 1.00 0.00 O ATOM 0 H ASP A 51 2.509 9.454 -9.905 1.00 0.00 H new ATOM 0 HA ASP A 51 2.800 11.994 -11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.863 9.366 -12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.553 10.938 -13.253 1.00 0.00 H new ATOM 881 N GLY A 52 0.098 10.184 -10.660 1.00 0.00 N ATOM 882 CA GLY A 52 -1.139 10.141 -9.893 1.00 0.00 C ATOM 883 C GLY A 52 -1.801 8.763 -9.919 1.00 0.00 C ATOM 884 O GLY A 52 -3.028 8.688 -9.942 1.00 0.00 O ATOM 0 H GLY A 52 0.252 9.361 -11.243 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.931 10.420 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.834 10.881 -10.290 1.00 0.00 H new ATOM 888 N SER A 53 -1.006 7.680 -9.917 1.00 0.00 N ATOM 889 CA SER A 53 -1.490 6.308 -9.971 1.00 0.00 C ATOM 890 C SER A 53 -0.704 5.438 -8.987 1.00 0.00 C ATOM 891 O SER A 53 0.443 5.085 -9.260 1.00 0.00 O ATOM 892 CB SER A 53 -1.388 5.784 -11.411 1.00 0.00 C ATOM 893 OG SER A 53 -0.067 5.808 -11.912 1.00 0.00 O ATOM 0 H SER A 53 0.011 7.745 -9.877 1.00 0.00 H new ATOM 0 HA SER A 53 -2.538 6.270 -9.675 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.767 4.763 -11.448 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.027 6.385 -12.057 1.00 0.00 H new ATOM 0 HG SER A 53 0.558 5.560 -11.199 1.00 0.00 H new ATOM 899 N VAL A 54 -1.307 5.098 -7.840 1.00 0.00 N ATOM 900 CA VAL A 54 -0.729 4.157 -6.885 1.00 0.00 C ATOM 901 C VAL A 54 -1.465 2.823 -6.996 1.00 0.00 C ATOM 902 O VAL A 54 -2.646 2.717 -6.666 1.00 0.00 O ATOM 903 CB VAL A 54 -0.656 4.743 -5.464 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.001 5.186 -4.888 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.006 3.748 -4.492 1.00 0.00 C ATOM 0 H VAL A 54 -2.211 5.471 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 54 0.315 3.966 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.045 5.639 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.853 5.585 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.434 5.957 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.676 4.332 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.034 4.186 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.595 2.831 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.005 3.519 -4.828 1.00 0.00 H new ATOM 915 N GLU A 55 -0.754 1.813 -7.508 1.00 0.00 N ATOM 916 CA GLU A 55 -1.275 0.476 -7.743 1.00 0.00 C ATOM 917 C GLU A 55 -1.019 -0.394 -6.519 1.00 0.00 C ATOM 918 O GLU A 55 0.132 -0.633 -6.158 1.00 0.00 O ATOM 919 CB GLU A 55 -0.668 -0.137 -9.012 1.00 0.00 C ATOM 920 CG GLU A 55 0.818 0.164 -9.225 1.00 0.00 C ATOM 921 CD GLU A 55 1.409 -0.724 -10.315 1.00 0.00 C ATOM 922 OE1 GLU A 55 1.401 -0.340 -11.481 1.00 0.00 O ATOM 923 OE2 GLU A 55 1.913 -1.920 -9.896 1.00 0.00 O ATOM 0 H GLU A 55 0.225 1.913 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.351 0.536 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.804 -1.218 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.225 0.226 -9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.944 1.212 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.361 0.010 -8.292 1.00 0.00 H new ATOM 931 N VAL A 56 -2.101 -0.862 -5.886 1.00 0.00 N ATOM 932 CA VAL A 56 -2.044 -1.669 -4.677 1.00 0.00 C ATOM 933 C VAL A 56 -2.450 -3.107 -4.988 1.00 0.00 C ATOM 934 O VAL A 56 -3.634 -3.405 -5.122 1.00 0.00 O ATOM 935 CB VAL A 56 -2.917 -1.055 -3.573 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.821 -1.896 -2.293 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.445 0.368 -3.258 1.00 0.00 C ATOM 0 H VAL A 56 -3.052 -0.684 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.019 -1.684 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.948 -1.034 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.444 -1.451 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.165 -2.910 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.786 -1.926 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.071 0.794 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.409 0.341 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.519 0.983 -4.155 1.00 0.00 H new ATOM 947 N VAL A 57 -1.455 -3.997 -5.042 1.00 0.00 N ATOM 948 CA VAL A 57 -1.643 -5.437 -5.002 1.00 0.00 C ATOM 949 C VAL A 57 -1.854 -5.822 -3.537 1.00 0.00 C ATOM 950 O VAL A 57 -1.067 -5.403 -2.690 1.00 0.00 O ATOM 951 CB VAL A 57 -0.394 -6.123 -5.581 1.00 0.00 C ATOM 952 CG1 VAL A 57 -0.504 -7.644 -5.435 1.00 0.00 C ATOM 953 CG2 VAL A 57 -0.216 -5.773 -7.066 1.00 0.00 C ATOM 0 H VAL A 57 -0.476 -3.722 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.502 -5.751 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 57 0.471 -5.764 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.387 -8.115 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.594 -7.903 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.384 -7.998 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.674 -6.270 -7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.090 -6.106 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.105 -4.694 -7.175 1.00 0.00 H new ATOM 963 N ALA A 58 -2.904 -6.601 -3.241 1.00 0.00 N ATOM 964 CA ALA A 58 -3.252 -7.032 -1.891 1.00 0.00 C ATOM 965 C ALA A 58 -3.744 -8.479 -1.911 1.00 0.00 C ATOM 966 O ALA A 58 -4.677 -8.806 -2.636 1.00 0.00 O ATOM 967 CB ALA A 58 -4.350 -6.130 -1.334 1.00 0.00 C ATOM 0 H ALA A 58 -3.545 -6.953 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.367 -6.965 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.609 -6.453 -0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.995 -5.100 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.231 -6.192 -1.973 1.00 0.00 H new ATOM 973 N GLU A 59 -3.119 -9.347 -1.116 1.00 0.00 N ATOM 974 CA GLU A 59 -3.329 -10.782 -1.134 1.00 0.00 C ATOM 975 C GLU A 59 -4.088 -11.191 0.126 1.00 0.00 C ATOM 976 O GLU A 59 -3.498 -11.224 1.205 1.00 0.00 O ATOM 977 CB GLU A 59 -1.971 -11.486 -1.245 1.00 0.00 C ATOM 978 CG GLU A 59 -1.229 -11.032 -2.508 1.00 0.00 C ATOM 979 CD GLU A 59 -0.002 -11.896 -2.767 1.00 0.00 C ATOM 980 OE1 GLU A 59 1.086 -11.574 -2.295 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.221 -13.001 -3.534 1.00 0.00 O ATOM 0 H GLU A 59 -2.432 -9.054 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.929 -11.077 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.368 -11.266 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.116 -12.566 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.900 -11.083 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.927 -9.990 -2.401 1.00 0.00 H new ATOM 989 N GLY A 60 -5.387 -11.490 -0.009 1.00 0.00 N ATOM 990 CA GLY A 60 -6.259 -11.819 1.112 1.00 0.00 C ATOM 991 C GLY A 60 -7.305 -12.855 0.718 1.00 0.00 C ATOM 992 O GLY A 60 -7.580 -13.046 -0.465 1.00 0.00 O ATOM 0 H GLY A 60 -5.861 -11.509 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.661 -12.200 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.755 -10.915 1.466 1.00 0.00 H new ATOM 996 N TYR A 61 -7.870 -13.536 1.722 1.00 0.00 N ATOM 997 CA TYR A 61 -8.861 -14.583 1.555 1.00 0.00 C ATOM 998 C TYR A 61 -10.194 -13.966 1.113 1.00 0.00 C ATOM 999 O TYR A 61 -10.380 -13.695 -0.071 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.966 -15.375 2.867 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.832 -16.354 3.119 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -6.669 -15.929 3.789 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -7.965 -17.706 2.743 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -5.661 -16.854 4.110 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -6.964 -18.634 3.085 1.00 0.00 C ATOM 1006 CZ TYR A 61 -5.818 -18.209 3.776 1.00 0.00 C ATOM 1007 OH TYR A 61 -4.859 -19.110 4.133 1.00 0.00 O ATOM 0 H TYR A 61 -7.637 -13.361 2.700 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.568 -15.282 0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.008 -14.670 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.907 -15.925 2.868 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.551 -14.889 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.836 -18.030 2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.765 -16.523 4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.077 -19.674 2.816 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.120 -20.004 3.828 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.121 -13.753 2.053 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.440 -13.196 1.794 1.00 0.00 C ATOM 1019 C GLU A 62 -13.018 -12.633 3.089 1.00 0.00 C ATOM 1020 O GLU A 62 -13.346 -11.448 3.160 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.353 -14.196 1.084 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.531 -15.545 1.789 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.181 -16.564 0.857 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -13.534 -17.539 0.483 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -15.470 -16.304 0.496 1.00 0.00 O ATOM 0 H GLU A 62 -10.965 -13.971 3.037 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.354 -12.365 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.335 -13.739 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.956 -14.378 0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.562 -15.917 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.146 -15.416 2.680 1.00 0.00 H new ATOM 1033 N GLU A 63 -13.046 -13.478 4.128 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.206 -13.093 5.515 1.00 0.00 C ATOM 1035 C GLU A 63 -12.324 -11.884 5.838 1.00 0.00 C ATOM 1036 O GLU A 63 -12.781 -10.963 6.505 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.810 -14.292 6.389 1.00 0.00 C ATOM 1038 CG GLU A 63 -13.815 -15.452 6.316 1.00 0.00 C ATOM 1039 CD GLU A 63 -15.125 -15.125 7.029 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -15.171 -15.172 8.256 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -16.182 -14.805 6.227 1.00 0.00 O ATOM 0 H GLU A 63 -12.953 -14.487 4.008 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.241 -12.811 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.828 -14.650 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.718 -13.964 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.020 -15.687 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.373 -16.343 6.762 1.00 0.00 H new ATOM 1049 N ALA A 64 -11.077 -11.889 5.342 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.127 -10.794 5.486 1.00 0.00 C ATOM 1051 C ALA A 64 -10.234 -9.782 4.347 1.00 0.00 C ATOM 1052 O ALA A 64 -9.929 -8.610 4.570 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.709 -11.363 5.572 1.00 0.00 C ATOM 0 H ALA A 64 -10.700 -12.678 4.818 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.365 -10.257 6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.995 -10.546 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.635 -12.026 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.486 -11.922 4.664 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.638 -10.202 3.138 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.672 -9.279 2.009 1.00 0.00 C ATOM 1061 C LEU A 65 -11.576 -8.095 2.334 1.00 0.00 C ATOM 1062 O LEU A 65 -11.117 -6.961 2.332 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.134 -9.957 0.721 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.141 -8.982 -0.463 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.848 -8.173 -0.622 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.358 -9.778 -1.745 1.00 0.00 C ATOM 0 H LEU A 65 -10.938 -11.154 2.926 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.654 -8.928 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.477 -10.797 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.135 -10.364 0.863 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.941 -8.268 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.938 -7.509 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.676 -7.581 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.010 -8.853 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.366 -9.099 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.552 -10.502 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.312 -10.303 -1.690 1.00 0.00 H new ATOM 1078 N SER A 66 -12.846 -8.380 2.640 1.00 0.00 N ATOM 1079 CA SER A 66 -13.849 -7.412 3.071 1.00 0.00 C ATOM 1080 C SER A 66 -13.310 -6.415 4.098 1.00 0.00 C ATOM 1081 O SER A 66 -13.556 -5.219 3.980 1.00 0.00 O ATOM 1082 CB SER A 66 -15.050 -8.183 3.634 1.00 0.00 C ATOM 1083 OG SER A 66 -14.643 -9.103 4.629 1.00 0.00 O ATOM 0 H SER A 66 -13.214 -9.330 2.591 1.00 0.00 H new ATOM 0 HA SER A 66 -14.147 -6.815 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.771 -7.482 4.055 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.555 -8.714 2.828 1.00 0.00 H new ATOM 0 HG SER A 66 -14.249 -9.892 4.203 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.562 -6.906 5.090 1.00 0.00 N ATOM 1090 CA LYS A 67 -11.993 -6.096 6.156 1.00 0.00 C ATOM 1091 C LYS A 67 -10.996 -5.054 5.627 1.00 0.00 C ATOM 1092 O LYS A 67 -10.941 -3.953 6.168 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.394 -7.017 7.231 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.435 -7.962 7.851 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.683 -7.291 8.438 1.00 0.00 C ATOM 1096 CE LYS A 67 -13.354 -6.259 9.521 1.00 0.00 C ATOM 1097 NZ LYS A 67 -14.584 -5.730 10.076 1.00 0.00 N ATOM 0 H LYS A 67 -12.334 -7.897 5.171 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.787 -5.510 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.590 -7.607 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.948 -6.408 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.753 -8.672 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.951 -8.538 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.238 -6.804 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.336 -8.056 8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.757 -6.720 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.756 -5.451 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.360 -5.029 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.138 -5.276 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.138 -6.505 10.494 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.252 -5.367 4.555 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.428 -4.400 3.830 1.00 0.00 C ATOM 1112 C LEU A 68 -10.303 -3.531 2.921 1.00 0.00 C ATOM 1113 O LEU A 68 -10.210 -2.306 2.943 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.338 -5.140 3.037 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.654 -4.296 1.945 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.021 -3.005 2.475 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.560 -5.131 1.275 1.00 0.00 C ATOM 0 H LEU A 68 -10.208 -6.309 4.167 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.936 -3.735 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.578 -5.494 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.780 -6.021 2.573 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.435 -4.009 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.558 -2.462 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.791 -2.383 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.263 -3.250 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.073 -4.538 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.823 -5.431 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.004 -6.019 0.826 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.118 -4.161 2.072 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.844 -3.486 1.020 1.00 0.00 C ATOM 1131 C LEU A 69 -12.685 -2.339 1.599 1.00 0.00 C ATOM 1132 O LEU A 69 -12.566 -1.190 1.175 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.710 -4.553 0.324 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.925 -4.369 -1.181 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -13.611 -3.047 -1.513 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -11.632 -4.514 -1.991 1.00 0.00 C ATOM 0 H LEU A 69 -11.287 -5.166 2.105 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.170 -3.028 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.251 -5.528 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.685 -4.574 0.810 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.591 -5.180 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.740 -2.965 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.586 -3.011 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.997 -2.219 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.848 -4.373 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.912 -3.763 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.215 -5.509 -1.835 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.501 -2.667 2.608 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.400 -1.751 3.289 1.00 0.00 C ATOM 1150 C GLU A 70 -13.644 -0.675 4.070 1.00 0.00 C ATOM 1151 O GLU A 70 -14.099 0.463 4.094 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.325 -2.539 4.222 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.277 -3.458 3.449 1.00 0.00 C ATOM 1154 CD GLU A 70 -17.185 -4.223 4.406 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -18.389 -3.977 4.423 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.572 -5.147 5.200 1.00 0.00 O ATOM 0 H GLU A 70 -13.549 -3.615 2.980 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.992 -1.238 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.724 -3.135 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.906 -1.844 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.881 -2.867 2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.702 -4.161 2.846 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.496 -1.013 4.680 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.556 -0.049 5.265 1.00 0.00 C ATOM 1166 C ARG A 71 -11.388 1.160 4.350 1.00 0.00 C ATOM 1167 O ARG A 71 -11.515 2.296 4.801 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.228 -0.745 5.607 1.00 0.00 C ATOM 1169 CG ARG A 71 -8.940 -0.061 5.128 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.708 1.292 5.811 1.00 0.00 C ATOM 1171 NE ARG A 71 -8.685 2.437 4.884 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.814 2.664 3.888 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -6.860 1.779 3.583 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -7.918 3.787 3.165 1.00 0.00 N ATOM 0 H ARG A 71 -12.192 -1.981 4.781 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.959 0.334 6.203 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.171 -0.854 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.254 -1.750 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.090 -0.715 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.988 0.083 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.492 1.453 6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.762 1.257 6.352 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.415 3.138 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.783 0.910 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.209 1.973 2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.655 4.461 3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.261 3.968 2.406 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.115 0.909 3.068 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.880 1.973 2.104 1.00 0.00 C ATOM 1190 C ILE A 72 -12.166 2.764 1.851 1.00 0.00 C ATOM 1191 O ILE A 72 -12.154 3.986 1.958 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.217 1.462 0.813 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.964 0.608 1.081 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.781 2.668 -0.031 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.698 -0.348 -0.082 1.00 0.00 C ATOM 0 H ILE A 72 -11.052 -0.031 2.676 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.158 2.665 2.537 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.953 0.841 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.101 1.257 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.096 0.040 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.309 2.318 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.653 3.273 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.070 3.270 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.808 -0.941 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.553 -1.011 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.543 0.225 -0.996 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.269 2.090 1.512 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.500 2.776 1.134 1.00 0.00 C ATOM 1209 C LYS A 73 -15.019 3.653 2.281 1.00 0.00 C ATOM 1210 O LYS A 73 -15.322 4.826 2.077 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.562 1.757 0.685 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.409 1.352 -0.793 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.215 0.423 -1.058 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.935 0.231 -2.554 1.00 0.00 C ATOM 1215 NZ LYS A 73 -15.042 -0.434 -3.216 1.00 0.00 N ATOM 0 H LYS A 73 -13.331 1.072 1.493 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.283 3.435 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.493 0.867 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.554 2.180 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.323 0.857 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.299 2.252 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.327 0.833 -0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.407 -0.548 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.759 1.200 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.025 -0.356 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.765 -0.687 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.292 -1.297 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.863 0.204 -3.245 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.107 3.075 3.483 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.557 3.738 4.701 1.00 0.00 C ATOM 1230 C GLN A 74 -14.564 4.820 5.133 1.00 0.00 C ATOM 1231 O GLN A 74 -14.976 5.915 5.512 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.728 2.699 5.817 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.820 1.672 5.483 1.00 0.00 C ATOM 1234 CD GLN A 74 -16.910 0.556 6.523 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -16.137 0.512 7.478 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -17.858 -0.364 6.334 1.00 0.00 N ATOM 0 H GLN A 74 -14.857 2.098 3.635 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.515 4.219 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.782 2.183 5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.979 3.206 6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.782 2.179 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.618 1.237 4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.482 -0.296 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.959 -1.136 6.994 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.265 4.502 5.087 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.166 5.384 5.447 1.00 0.00 C ATOM 1247 C GLY A 75 -11.383 5.769 4.191 1.00 0.00 C ATOM 1248 O GLY A 75 -10.362 5.138 3.913 1.00 0.00 O ATOM 0 H GLY A 75 -12.945 3.582 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.550 6.279 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.508 4.888 6.160 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.841 6.772 3.418 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.222 7.172 2.158 1.00 0.00 C ATOM 1254 C PRO A 76 -9.815 7.734 2.380 1.00 0.00 C ATOM 1255 O PRO A 76 -9.458 8.077 3.508 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.166 8.222 1.558 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.866 8.812 2.778 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.004 7.599 3.691 1.00 0.00 C ATOM 0 HA PRO A 76 -11.091 6.324 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.618 8.983 1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.878 7.773 0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.278 9.605 3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.835 9.241 2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.035 7.898 4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.927 7.057 3.486 1.00 0.00 H new ATOM 1266 N PRO A 77 -9.002 7.837 1.315 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.675 8.424 1.400 1.00 0.00 C ATOM 1268 C PRO A 77 -7.797 9.927 1.667 1.00 0.00 C ATOM 1269 O PRO A 77 -8.756 10.559 1.224 1.00 0.00 O ATOM 1270 CB PRO A 77 -7.031 8.143 0.042 1.00 0.00 C ATOM 1271 CG PRO A 77 -8.224 8.134 -0.907 1.00 0.00 C ATOM 1272 CD PRO A 77 -9.319 7.485 -0.063 1.00 0.00 C ATOM 0 HA PRO A 77 -7.075 8.011 2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.306 8.911 -0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.503 7.190 0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.499 9.141 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.018 7.562 -1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.305 7.854 -0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.332 6.404 -0.200 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.827 10.500 2.389 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.836 11.906 2.776 1.00 0.00 C ATOM 1282 C ALA A 78 -6.319 12.790 1.635 1.00 0.00 C ATOM 1283 O ALA A 78 -5.446 13.630 1.843 1.00 0.00 O ATOM 1284 CB ALA A 78 -6.006 12.080 4.053 1.00 0.00 C ATOM 0 H ALA A 78 -6.008 9.991 2.722 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.859 12.223 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.008 13.129 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.437 11.477 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.981 11.757 3.868 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.858 12.596 0.426 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.422 13.262 -0.788 1.00 0.00 C ATOM 1292 C ALA A 79 -7.552 13.228 -1.814 1.00 0.00 C ATOM 1293 O ALA A 79 -8.524 12.490 -1.651 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.192 12.542 -1.320 1.00 0.00 C ATOM 0 H ALA A 79 -7.632 11.950 0.270 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.169 14.303 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.851 13.030 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.399 12.576 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.443 11.504 -1.536 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.404 14.019 -2.881 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.370 14.100 -3.966 1.00 0.00 C ATOM 1302 C GLU A 80 -8.256 12.867 -4.865 1.00 0.00 C ATOM 1303 O GLU A 80 -7.698 12.933 -5.959 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.174 15.404 -4.754 1.00 0.00 C ATOM 1305 CG GLU A 80 -8.407 16.642 -3.880 1.00 0.00 C ATOM 1306 CD GLU A 80 -8.193 17.925 -4.676 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -7.229 18.643 -4.419 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -9.117 18.188 -5.646 1.00 0.00 O ATOM 0 H GLU A 80 -6.596 14.628 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.379 14.115 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.164 15.433 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.860 15.423 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.421 16.623 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.728 16.622 -3.027 1.00 0.00 H new ATOM 1316 N VAL A 81 -8.812 11.746 -4.395 1.00 0.00 N ATOM 1317 CA VAL A 81 -8.955 10.521 -5.164 1.00 0.00 C ATOM 1318 C VAL A 81 -9.860 10.778 -6.366 1.00 0.00 C ATOM 1319 O VAL A 81 -10.991 11.240 -6.226 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.416 9.368 -4.252 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.796 9.566 -3.611 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.380 8.026 -4.992 1.00 0.00 C ATOM 0 H VAL A 81 -9.181 11.671 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.994 10.203 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.697 9.366 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.035 8.704 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.786 10.467 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.549 9.668 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.711 7.232 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.041 8.070 -5.857 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.362 7.820 -5.323 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.316 10.507 -7.554 1.00 0.00 N ATOM 1333 CA GLU A 82 -9.985 10.666 -8.828 1.00 0.00 C ATOM 1334 C GLU A 82 -10.966 9.509 -8.972 1.00 0.00 C ATOM 1335 O GLU A 82 -12.169 9.734 -9.082 1.00 0.00 O ATOM 1336 CB GLU A 82 -8.922 10.687 -9.934 1.00 0.00 C ATOM 1337 CG GLU A 82 -9.535 10.835 -11.332 1.00 0.00 C ATOM 1338 CD GLU A 82 -8.454 10.783 -12.408 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -7.992 11.830 -12.854 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -8.069 9.537 -12.807 1.00 0.00 O ATOM 0 H GLU A 82 -8.362 10.158 -7.649 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.543 11.600 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.231 11.511 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.339 9.767 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.261 10.040 -11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.075 11.779 -11.399 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.440 8.278 -8.938 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.241 7.063 -8.989 1.00 0.00 C ATOM 1350 C LYS A 83 -10.371 5.846 -8.682 1.00 0.00 C ATOM 1351 O LYS A 83 -9.266 5.729 -9.204 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.930 6.911 -10.359 1.00 0.00 C ATOM 1353 CG LYS A 83 -10.935 6.776 -11.521 1.00 0.00 C ATOM 1354 CD LYS A 83 -11.632 6.996 -12.866 1.00 0.00 C ATOM 1355 CE LYS A 83 -10.642 6.755 -14.010 1.00 0.00 C ATOM 1356 NZ LYS A 83 -11.284 7.018 -15.284 1.00 0.00 N ATOM 0 H LYS A 83 -9.437 8.103 -8.874 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.021 7.134 -8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.577 6.034 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.570 7.775 -10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.130 7.501 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.479 5.786 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.482 6.320 -12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.025 8.011 -12.921 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.772 7.401 -13.891 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.282 5.727 -13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.606 6.852 -16.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.101 6.384 -15.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.606 8.006 -15.313 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.864 4.927 -7.849 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.227 3.635 -7.649 1.00 0.00 C ATOM 1371 C VAL A 84 -10.955 2.584 -8.485 1.00 0.00 C ATOM 1372 O VAL A 84 -11.984 2.052 -8.074 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.098 3.306 -6.156 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.395 3.409 -5.342 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.460 1.923 -5.988 1.00 0.00 C ATOM 0 H VAL A 84 -11.712 5.062 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.197 3.652 -8.006 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.457 4.083 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.192 3.156 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.781 4.427 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.134 2.717 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.369 1.691 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.086 1.173 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.471 1.921 -6.446 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.416 2.295 -9.674 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.994 1.327 -10.592 1.00 0.00 C ATOM 1387 C ASP A 85 -10.446 -0.050 -10.228 1.00 0.00 C ATOM 1388 O ASP A 85 -9.599 -0.591 -10.937 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.660 1.729 -12.036 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.254 0.761 -13.058 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.373 0.288 -12.870 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -10.472 0.481 -14.140 1.00 0.00 O ATOM 0 H ASP A 85 -9.562 2.732 -10.022 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.081 1.299 -10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.037 2.733 -12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.578 1.766 -12.160 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.902 -0.595 -9.093 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.357 -1.843 -8.586 1.00 0.00 C ATOM 1400 C TYR A 86 -10.875 -3.027 -9.397 1.00 0.00 C ATOM 1401 O TYR A 86 -11.993 -2.994 -9.911 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.590 -2.006 -7.074 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.747 -2.890 -6.648 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -11.522 -4.257 -6.391 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -13.014 -2.332 -6.400 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -12.555 -5.058 -5.877 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -14.046 -3.132 -5.879 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.814 -4.493 -5.608 1.00 0.00 C ATOM 1409 OH TYR A 86 -14.811 -5.261 -5.082 1.00 0.00 O ATOM 0 H TYR A 86 -11.641 -0.189 -8.519 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.275 -1.814 -8.714 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.677 -2.405 -6.632 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.745 -1.016 -6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.553 -4.690 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.194 -1.288 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.382 -6.107 -5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.018 -2.702 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.614 -4.714 -4.957 1.00 0.00 H new ATOM 1419 N SER A 87 -10.051 -4.072 -9.507 1.00 0.00 N ATOM 1420 CA SER A 87 -10.398 -5.287 -10.223 1.00 0.00 C ATOM 1421 C SER A 87 -9.635 -6.453 -9.607 1.00 0.00 C ATOM 1422 O SER A 87 -8.441 -6.610 -9.853 1.00 0.00 O ATOM 1423 CB SER A 87 -10.087 -5.143 -11.717 1.00 0.00 C ATOM 1424 OG SER A 87 -10.768 -4.038 -12.277 1.00 0.00 O ATOM 0 H SER A 87 -9.118 -4.092 -9.096 1.00 0.00 H new ATOM 0 HA SER A 87 -11.468 -5.475 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.013 -5.021 -11.857 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.375 -6.055 -12.241 1.00 0.00 H new ATOM 0 HG SER A 87 -10.551 -3.968 -13.230 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.328 -7.264 -8.802 1.00 0.00 N ATOM 1431 CA PHE A 88 -9.745 -8.405 -8.121 1.00 0.00 C ATOM 1432 C PHE A 88 -9.239 -9.438 -9.136 1.00 0.00 C ATOM 1433 O PHE A 88 -9.814 -9.583 -10.215 1.00 0.00 O ATOM 1434 CB PHE A 88 -10.767 -8.977 -7.121 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.425 -10.279 -7.537 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -12.535 -10.263 -8.402 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -10.849 -11.509 -7.163 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -13.081 -11.471 -8.871 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -11.390 -12.716 -7.641 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.510 -12.697 -8.488 1.00 0.00 C ATOM 0 H PHE A 88 -11.321 -7.138 -8.608 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.870 -8.098 -7.548 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.267 -9.131 -6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.546 -8.232 -6.957 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.968 -9.322 -8.706 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.990 -11.525 -6.508 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.940 -11.457 -9.526 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.944 -13.658 -7.357 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.933 -13.624 -8.845 1.00 0.00 H new ATOM 1450 N SER A 89 -8.152 -10.136 -8.791 1.00 0.00 N ATOM 1451 CA SER A 89 -7.468 -11.093 -9.649 1.00 0.00 C ATOM 1452 C SER A 89 -7.153 -12.375 -8.873 1.00 0.00 C ATOM 1453 O SER A 89 -7.543 -12.526 -7.715 1.00 0.00 O ATOM 1454 CB SER A 89 -6.187 -10.449 -10.198 1.00 0.00 C ATOM 1455 OG SER A 89 -6.462 -9.184 -10.764 1.00 0.00 O ATOM 0 H SER A 89 -7.714 -10.043 -7.875 1.00 0.00 H new ATOM 0 HA SER A 89 -8.113 -11.364 -10.485 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.456 -10.342 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.742 -11.100 -10.951 1.00 0.00 H new ATOM 0 HG SER A 89 -5.632 -8.791 -11.106 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.416 -13.285 -9.518 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.838 -14.477 -8.912 1.00 0.00 C ATOM 1463 C GLU A 90 -4.348 -14.240 -8.668 1.00 0.00 C ATOM 1464 O GLU A 90 -3.708 -13.491 -9.407 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.101 -15.725 -9.771 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.333 -15.791 -11.102 1.00 0.00 C ATOM 1467 CD GLU A 90 -5.773 -14.729 -12.104 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -5.190 -13.648 -12.134 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -6.820 -15.063 -12.911 1.00 0.00 O ATOM 0 H GLU A 90 -6.201 -13.204 -10.512 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.318 -14.668 -7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.850 -16.608 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.168 -15.778 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.267 -15.676 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.470 -16.778 -11.545 1.00 0.00 H new ATOM 1477 N TYR A 91 -3.803 -14.853 -7.613 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.423 -14.686 -7.202 1.00 0.00 C ATOM 1479 C TYR A 91 -1.467 -15.479 -8.094 1.00 0.00 C ATOM 1480 O TYR A 91 -1.791 -16.581 -8.532 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.302 -15.083 -5.726 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.209 -16.574 -5.455 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.360 -17.385 -5.508 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -0.956 -17.162 -5.200 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.255 -18.771 -5.306 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.851 -18.549 -5.001 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.003 -19.354 -5.047 1.00 0.00 C ATOM 1488 OH TYR A 91 -1.910 -20.698 -4.845 1.00 0.00 O ATOM 0 H TYR A 91 -4.328 -15.491 -7.014 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.133 -13.641 -7.314 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.418 -14.600 -5.309 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.164 -14.687 -5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.324 -16.940 -5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.071 -16.544 -5.157 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.139 -19.390 -5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.114 -18.996 -4.813 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.975 -20.940 -4.680 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.280 -14.913 -8.340 1.00 0.00 N ATOM 1499 CA LYS A 92 0.822 -15.600 -8.999 1.00 0.00 C ATOM 1500 C LYS A 92 1.578 -16.405 -7.944 1.00 0.00 C ATOM 1501 O LYS A 92 1.706 -17.622 -8.056 1.00 0.00 O ATOM 1502 CB LYS A 92 1.726 -14.569 -9.692 1.00 0.00 C ATOM 1503 CG LYS A 92 2.984 -15.178 -10.332 1.00 0.00 C ATOM 1504 CD LYS A 92 2.655 -16.165 -11.458 1.00 0.00 C ATOM 1505 CE LYS A 92 3.942 -16.645 -12.139 1.00 0.00 C ATOM 1506 NZ LYS A 92 3.625 -17.600 -13.182 1.00 0.00 N ATOM 0 H LYS A 92 -0.061 -13.951 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 92 0.460 -16.283 -9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.151 -14.054 -10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.028 -13.817 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.610 -14.378 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.566 -15.689 -9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.109 -17.018 -11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.004 -15.687 -12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.477 -15.795 -12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.603 -17.103 -11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.503 -17.920 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.133 -18.417 -12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.011 -17.149 -13.890 1.00 0.00 H new ATOM 1519 N GLY A 93 2.064 -15.706 -6.913 1.00 0.00 N ATOM 1520 CA GLY A 93 2.729 -16.266 -5.754 1.00 0.00 C ATOM 1521 C GLY A 93 2.513 -15.321 -4.573 1.00 0.00 C ATOM 1522 O GLY A 93 1.983 -14.224 -4.743 1.00 0.00 O ATOM 0 H GLY A 93 1.996 -14.689 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.329 -17.254 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.794 -16.391 -5.951 1.00 0.00 H new ATOM 1526 N GLU A 94 2.920 -15.755 -3.377 1.00 0.00 N ATOM 1527 CA GLU A 94 2.857 -14.973 -2.158 1.00 0.00 C ATOM 1528 C GLU A 94 4.079 -14.054 -2.100 1.00 0.00 C ATOM 1529 O GLU A 94 5.218 -14.513 -2.057 1.00 0.00 O ATOM 1530 CB GLU A 94 2.696 -15.871 -0.924 1.00 0.00 C ATOM 1531 CG GLU A 94 3.670 -17.055 -0.831 1.00 0.00 C ATOM 1532 CD GLU A 94 3.498 -17.854 0.461 1.00 0.00 C ATOM 1533 OE1 GLU A 94 2.584 -17.583 1.236 1.00 0.00 O ATOM 1534 OE2 GLU A 94 4.401 -18.854 0.665 1.00 0.00 O ATOM 0 H GLU A 94 3.312 -16.686 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 94 1.969 -14.342 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.814 -15.256 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.678 -16.260 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.518 -17.715 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.693 -16.685 -0.892 1.00 0.00 H new ATOM 1542 N PHE A 95 3.822 -12.744 -2.143 1.00 0.00 N ATOM 1543 CA PHE A 95 4.837 -11.700 -2.175 1.00 0.00 C ATOM 1544 C PHE A 95 5.585 -11.636 -0.836 1.00 0.00 C ATOM 1545 O PHE A 95 6.794 -11.420 -0.819 1.00 0.00 O ATOM 1546 CB PHE A 95 4.182 -10.348 -2.500 1.00 0.00 C ATOM 1547 CG PHE A 95 3.746 -10.087 -3.939 1.00 0.00 C ATOM 1548 CD1 PHE A 95 3.376 -11.128 -4.815 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.683 -8.757 -4.396 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.893 -10.838 -6.103 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.202 -8.464 -5.683 1.00 0.00 C ATOM 1552 CZ PHE A 95 2.800 -9.505 -6.537 1.00 0.00 C ATOM 0 H PHE A 95 2.871 -12.375 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 95 5.563 -11.933 -2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.305 -10.240 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.882 -9.562 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.464 -12.155 -4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.008 -7.954 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.593 -11.641 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.141 -7.438 -6.016 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.421 -9.281 -7.523 1.00 0.00 H new ATOM 1562 N GLU A 96 4.860 -11.827 0.274 1.00 0.00 N ATOM 1563 CA GLU A 96 5.380 -11.868 1.637 1.00 0.00 C ATOM 1564 C GLU A 96 6.142 -10.595 2.009 1.00 0.00 C ATOM 1565 O GLU A 96 7.325 -10.666 2.332 1.00 0.00 O ATOM 1566 CB GLU A 96 6.220 -13.137 1.866 1.00 0.00 C ATOM 1567 CG GLU A 96 5.427 -14.421 1.598 1.00 0.00 C ATOM 1568 CD GLU A 96 6.243 -15.665 1.933 1.00 0.00 C ATOM 1569 OE1 GLU A 96 6.549 -16.450 1.039 1.00 0.00 O ATOM 1570 OE2 GLU A 96 6.581 -15.821 3.245 1.00 0.00 O ATOM 0 H GLU A 96 3.850 -11.963 0.239 1.00 0.00 H new ATOM 0 HA GLU A 96 4.525 -11.913 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.095 -13.112 1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.585 -13.147 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.512 -14.415 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.128 -14.453 0.550 1.00 0.00 H new ATOM 1578 N ASP A 97 5.426 -9.461 1.994 1.00 0.00 N ATOM 1579 CA ASP A 97 5.850 -8.117 2.403 1.00 0.00 C ATOM 1580 C ASP A 97 4.953 -7.091 1.701 1.00 0.00 C ATOM 1581 O ASP A 97 5.319 -6.585 0.642 1.00 0.00 O ATOM 1582 CB ASP A 97 7.341 -7.848 2.105 1.00 0.00 C ATOM 1583 CG ASP A 97 7.757 -6.398 2.348 1.00 0.00 C ATOM 1584 OD1 ASP A 97 8.244 -5.747 1.427 1.00 0.00 O ATOM 1585 OD2 ASP A 97 7.566 -5.923 3.612 1.00 0.00 O ATOM 0 H ASP A 97 4.459 -9.462 1.670 1.00 0.00 H new ATOM 0 HA ASP A 97 5.743 -8.033 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.952 -8.502 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.549 -8.109 1.067 1.00 0.00 H new ATOM 1591 N PHE A 98 3.790 -6.767 2.289 1.00 0.00 N ATOM 1592 CA PHE A 98 2.926 -5.715 1.765 1.00 0.00 C ATOM 1593 C PHE A 98 3.565 -4.367 2.089 1.00 0.00 C ATOM 1594 O PHE A 98 3.344 -3.845 3.176 1.00 0.00 O ATOM 1595 CB PHE A 98 1.510 -5.816 2.352 1.00 0.00 C ATOM 1596 CG PHE A 98 0.545 -4.760 1.837 1.00 0.00 C ATOM 1597 CD1 PHE A 98 -0.230 -4.999 0.686 1.00 0.00 C ATOM 1598 CD2 PHE A 98 0.416 -3.532 2.510 1.00 0.00 C ATOM 1599 CE1 PHE A 98 -1.116 -4.014 0.217 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -0.403 -2.517 1.989 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.180 -2.763 0.848 1.00 0.00 C ATOM 0 H PHE A 98 3.432 -7.223 3.128 1.00 0.00 H new ATOM 0 HA PHE A 98 2.825 -5.824 0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.105 -6.803 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.572 -5.737 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.144 -5.940 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.951 -3.368 3.434 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.750 -4.221 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.434 -1.549 2.466 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.826 -1.991 0.456 1.00 0.00 H new ATOM 1611 N GLU A 99 4.388 -3.828 1.181 1.00 0.00 N ATOM 1612 CA GLU A 99 5.159 -2.615 1.443 1.00 0.00 C ATOM 1613 C GLU A 99 4.911 -1.561 0.374 1.00 0.00 C ATOM 1614 O GLU A 99 4.551 -1.880 -0.756 1.00 0.00 O ATOM 1615 CB GLU A 99 6.637 -2.983 1.533 1.00 0.00 C ATOM 1616 CG GLU A 99 7.511 -1.820 2.012 1.00 0.00 C ATOM 1617 CD GLU A 99 8.928 -2.317 2.278 1.00 0.00 C ATOM 1618 OE1 GLU A 99 9.193 -2.826 3.366 1.00 0.00 O ATOM 1619 OE2 GLU A 99 9.813 -2.174 1.252 1.00 0.00 O ATOM 0 H GLU A 99 4.535 -4.220 0.251 1.00 0.00 H new ATOM 0 HA GLU A 99 4.839 -2.179 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.756 -3.825 2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.985 -3.313 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.527 -1.031 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.091 -1.387 2.920 1.00 0.00 H new ATOM 1627 N THR A 100 5.109 -0.297 0.756 1.00 0.00 N ATOM 1628 CA THR A 100 4.852 0.854 -0.087 1.00 0.00 C ATOM 1629 C THR A 100 6.144 1.286 -0.783 1.00 0.00 C ATOM 1630 O THR A 100 7.130 1.616 -0.123 1.00 0.00 O ATOM 1631 CB THR A 100 4.128 1.978 0.689 1.00 0.00 C ATOM 1632 OG1 THR A 100 4.867 3.183 0.734 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.735 1.583 2.119 1.00 0.00 C ATOM 0 H THR A 100 5.460 -0.049 1.681 1.00 0.00 H new ATOM 0 HA THR A 100 4.154 0.582 -0.879 1.00 0.00 H new ATOM 0 HB THR A 100 3.216 2.142 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.362 3.858 1.234 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.232 2.420 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.064 0.725 2.088 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.630 1.323 2.684 1.00 0.00 H new ATOM 1641 N TYR A 101 6.118 1.280 -2.118 1.00 0.00 N ATOM 1642 CA TYR A 101 7.146 1.839 -2.981 1.00 0.00 C ATOM 1643 C TYR A 101 6.666 3.222 -3.409 1.00 0.00 C ATOM 1644 O TYR A 101 7.508 4.144 -3.461 1.00 0.00 O ATOM 1645 CB TYR A 101 7.357 0.881 -4.162 1.00 0.00 C ATOM 1646 CG TYR A 101 8.032 1.427 -5.409 1.00 0.00 C ATOM 1647 CD1 TYR A 101 7.340 2.302 -6.272 1.00 0.00 C ATOM 1648 CD2 TYR A 101 9.278 0.912 -5.809 1.00 0.00 C ATOM 1649 CE1 TYR A 101 7.947 2.757 -7.454 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.885 1.359 -6.996 1.00 0.00 C ATOM 1651 CZ TYR A 101 9.224 2.291 -7.813 1.00 0.00 C ATOM 1652 OH TYR A 101 9.812 2.738 -8.960 1.00 0.00 O ATOM 1653 OXT TYR A 101 5.445 3.337 -3.649 1.00 0.00 O ATOM 0 H TYR A 101 5.346 0.867 -2.642 1.00 0.00 H new ATOM 0 HA TYR A 101 8.110 1.950 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.946 0.036 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.382 0.490 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.339 2.623 -6.023 1.00 0.00 H new ATOM 0 HD2 TYR A 101 9.772 0.169 -5.201 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.433 3.465 -8.087 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.858 0.986 -7.279 1.00 0.00 H new ATOM 0 HH TYR A 101 10.692 2.319 -9.061 1.00 0.00 H new TER 1663 TYR A 101