USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 862 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS : no HD1:sc= -4.55! C(o=-3.4!,f=-7!) USER MOD Set 1.2: A 50 SER OG : rot 109:sc= 1.12 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0525 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.789 USER MOD Single : A 10 THR OG1 : rot -81:sc= 1.21 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -35:sc= -0.0183! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.0031) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00702 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0064 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -172:sc= -0.91 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.0326 (180deg=-0.0326) USER MOD Single : A 49 SER OG : rot -6:sc= 0.312 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0228) USER MOD Single : A 54 ASN : amide:sc= -0.334 K(o=-0.33,f=-2) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.0437 (180deg=-0.336) USER MOD Single : A 75 GLN : amide:sc= -0.907 K(o=-0.91,f=-6.1!) USER MOD Single : A 77 MET CE :methyl -115:sc= -6.33! (180deg=-12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 93 TYR OH : rot 60:sc= -0.093 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.643 3.644 -1.374 1.00 0.00 N ATOM 2 CA GLY A 1 -0.002 3.530 -2.669 1.00 0.00 C ATOM 3 C GLY A 1 0.994 3.455 -3.809 1.00 0.00 C ATOM 4 O GLY A 1 2.188 3.704 -3.636 1.00 0.00 O ATOM 0 H1 GLY A 1 0.455 2.787 -0.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.669 3.753 -1.506 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.268 4.474 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.631 2.640 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.659 4.386 -2.821 1.00 0.00 H new ATOM 8 N PRO A 2 0.504 3.104 -5.007 1.00 0.00 N ATOM 9 CA PRO A 2 1.344 2.988 -6.203 1.00 0.00 C ATOM 10 C PRO A 2 1.842 4.342 -6.695 1.00 0.00 C ATOM 11 O PRO A 2 1.081 5.307 -6.763 1.00 0.00 O ATOM 12 CB PRO A 2 0.406 2.356 -7.235 1.00 0.00 C ATOM 13 CG PRO A 2 -0.962 2.740 -6.788 1.00 0.00 C ATOM 14 CD PRO A 2 -0.908 2.793 -5.286 1.00 0.00 C ATOM 0 HA PRO A 2 2.246 2.406 -6.013 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.613 2.727 -8.239 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.523 1.273 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.251 3.706 -7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.701 2.014 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.574 3.557 -4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.207 1.845 -4.839 1.00 0.00 H new ATOM 22 N GLY A 3 3.125 4.407 -7.037 1.00 0.00 N ATOM 23 CA GLY A 3 3.702 5.649 -7.519 1.00 0.00 C ATOM 24 C GLY A 3 4.351 6.455 -6.411 1.00 0.00 C ATOM 25 O GLY A 3 3.937 6.379 -5.255 1.00 0.00 O ATOM 0 H GLY A 3 3.775 3.622 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.444 5.428 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.924 6.248 -7.992 1.00 0.00 H new ATOM 29 N SER A 4 5.373 7.228 -6.765 1.00 0.00 N ATOM 30 CA SER A 4 6.084 8.048 -5.791 1.00 0.00 C ATOM 31 C SER A 4 5.880 9.532 -6.078 1.00 0.00 C ATOM 32 O SER A 4 5.128 9.904 -6.978 1.00 0.00 O ATOM 33 CB SER A 4 7.577 7.714 -5.806 1.00 0.00 C ATOM 34 OG SER A 4 7.786 6.314 -5.873 1.00 0.00 O ATOM 0 H SER A 4 5.727 7.304 -7.719 1.00 0.00 H new ATOM 0 HA SER A 4 5.679 7.828 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.052 8.197 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.051 8.113 -4.909 1.00 0.00 H new ATOM 0 HG SER A 4 8.748 6.127 -5.883 1.00 0.00 H new ATOM 40 N MET A 5 6.557 10.376 -5.306 1.00 0.00 N ATOM 41 CA MET A 5 6.452 11.821 -5.477 1.00 0.00 C ATOM 42 C MET A 5 7.832 12.470 -5.481 1.00 0.00 C ATOM 43 O MET A 5 8.780 11.940 -4.901 1.00 0.00 O ATOM 44 CB MET A 5 5.593 12.426 -4.365 1.00 0.00 C ATOM 45 CG MET A 5 4.203 11.819 -4.271 1.00 0.00 C ATOM 46 SD MET A 5 3.060 12.844 -3.326 1.00 0.00 S ATOM 47 CE MET A 5 2.912 11.885 -1.820 1.00 0.00 C ATOM 0 H MET A 5 7.184 10.085 -4.556 1.00 0.00 H new ATOM 0 HA MET A 5 5.977 12.015 -6.439 1.00 0.00 H new ATOM 0 HB2 MET A 5 6.103 12.294 -3.411 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.501 13.499 -4.532 1.00 0.00 H new ATOM 0 HG2 MET A 5 3.807 11.671 -5.276 1.00 0.00 H new ATOM 0 HG3 MET A 5 4.271 10.835 -3.807 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.235 12.391 -1.132 1.00 0.00 H new ATOM 0 HE2 MET A 5 2.518 10.896 -2.055 1.00 0.00 H new ATOM 0 HE3 MET A 5 3.893 11.784 -1.355 1.00 0.00 H new ATOM 57 N THR A 6 7.938 13.620 -6.139 1.00 0.00 N ATOM 58 CA THR A 6 9.203 14.341 -6.219 1.00 0.00 C ATOM 59 C THR A 6 8.974 15.846 -6.284 1.00 0.00 C ATOM 60 O THR A 6 8.060 16.317 -6.960 1.00 0.00 O ATOM 61 CB THR A 6 10.021 13.903 -7.449 1.00 0.00 C ATOM 62 OG1 THR A 6 11.233 14.663 -7.526 1.00 0.00 O ATOM 63 CG2 THR A 6 9.218 14.089 -8.727 1.00 0.00 C ATOM 0 H THR A 6 7.163 14.072 -6.624 1.00 0.00 H new ATOM 0 HA THR A 6 9.763 14.101 -5.315 1.00 0.00 H new ATOM 0 HB THR A 6 10.261 12.845 -7.341 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.749 14.378 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.816 13.773 -9.582 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.310 13.488 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.951 15.140 -8.839 1.00 0.00 H new ATOM 71 N VAL A 7 9.812 16.598 -5.576 1.00 0.00 N ATOM 72 CA VAL A 7 9.702 18.052 -5.555 1.00 0.00 C ATOM 73 C VAL A 7 10.996 18.708 -6.025 1.00 0.00 C ATOM 74 O VAL A 7 12.059 18.494 -5.443 1.00 0.00 O ATOM 75 CB VAL A 7 9.360 18.568 -4.145 1.00 0.00 C ATOM 76 CG1 VAL A 7 10.375 18.063 -3.131 1.00 0.00 C ATOM 77 CG2 VAL A 7 9.297 20.088 -4.136 1.00 0.00 C ATOM 0 H VAL A 7 10.574 16.224 -5.010 1.00 0.00 H new ATOM 0 HA VAL A 7 8.895 18.319 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 7 8.379 18.184 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.117 18.438 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.367 16.973 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.369 18.416 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.054 20.436 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.263 20.494 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.529 20.424 -4.832 1.00 0.00 H new ATOM 87 N VAL A 8 10.897 19.507 -7.082 1.00 0.00 N ATOM 88 CA VAL A 8 12.059 20.197 -7.630 1.00 0.00 C ATOM 89 C VAL A 8 11.863 21.708 -7.608 1.00 0.00 C ATOM 90 O VAL A 8 10.746 22.203 -7.762 1.00 0.00 O ATOM 91 CB VAL A 8 12.348 19.749 -9.076 1.00 0.00 C ATOM 92 CG1 VAL A 8 11.237 20.207 -10.008 1.00 0.00 C ATOM 93 CG2 VAL A 8 13.696 20.278 -9.538 1.00 0.00 C ATOM 0 H VAL A 8 10.024 19.693 -7.576 1.00 0.00 H new ATOM 0 HA VAL A 8 12.908 19.935 -6.999 1.00 0.00 H new ATOM 0 HB VAL A 8 12.384 18.660 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.458 19.882 -11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.290 19.774 -9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.166 21.294 -9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.884 19.952 -10.561 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.692 21.367 -9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.480 19.895 -8.885 1.00 0.00 H new ATOM 103 N THR A 9 12.957 22.439 -7.415 1.00 0.00 N ATOM 104 CA THR A 9 12.906 23.895 -7.372 1.00 0.00 C ATOM 105 C THR A 9 13.678 24.507 -8.535 1.00 0.00 C ATOM 106 O THR A 9 14.645 23.925 -9.027 1.00 0.00 O ATOM 107 CB THR A 9 13.478 24.438 -6.049 1.00 0.00 C ATOM 108 OG1 THR A 9 12.859 23.777 -4.939 1.00 0.00 O ATOM 109 CG2 THR A 9 13.256 25.939 -5.939 1.00 0.00 C ATOM 0 H THR A 9 13.889 22.046 -7.286 1.00 0.00 H new ATOM 0 HA THR A 9 11.856 24.177 -7.448 1.00 0.00 H new ATOM 0 HB THR A 9 14.550 24.243 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.336 24.007 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.668 26.300 -4.997 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.753 26.442 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.188 26.152 -5.973 1.00 0.00 H new ATOM 117 N THR A 10 13.245 25.686 -8.972 1.00 0.00 N ATOM 118 CA THR A 10 13.895 26.377 -10.078 1.00 0.00 C ATOM 119 C THR A 10 14.886 27.417 -9.570 1.00 0.00 C ATOM 120 O THR A 10 15.085 27.560 -8.364 1.00 0.00 O ATOM 121 CB THR A 10 12.865 27.069 -10.991 1.00 0.00 C ATOM 122 OG1 THR A 10 11.978 27.874 -10.206 1.00 0.00 O ATOM 123 CG2 THR A 10 12.064 26.043 -11.779 1.00 0.00 C ATOM 0 H THR A 10 12.446 26.182 -8.576 1.00 0.00 H new ATOM 0 HA THR A 10 14.429 25.621 -10.653 1.00 0.00 H new ATOM 0 HB THR A 10 13.404 27.703 -11.695 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.284 27.306 -9.811 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.343 26.555 -12.416 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.739 25.451 -12.397 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.535 25.386 -11.089 1.00 0.00 H new ATOM 131 N GLU A 11 15.505 28.141 -10.497 1.00 0.00 N ATOM 132 CA GLU A 11 16.477 29.168 -10.141 1.00 0.00 C ATOM 133 C GLU A 11 15.776 30.456 -9.718 1.00 0.00 C ATOM 134 O GLU A 11 16.337 31.268 -8.982 1.00 0.00 O ATOM 135 CB GLU A 11 17.412 29.447 -11.320 1.00 0.00 C ATOM 136 CG GLU A 11 18.616 28.521 -11.373 1.00 0.00 C ATOM 137 CD GLU A 11 19.805 29.066 -10.607 1.00 0.00 C ATOM 138 OE1 GLU A 11 20.606 29.813 -11.208 1.00 0.00 O ATOM 139 OE2 GLU A 11 19.936 28.746 -9.407 1.00 0.00 O ATOM 0 H GLU A 11 15.351 28.035 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 11 17.065 28.801 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.850 29.352 -12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.760 30.478 -11.261 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.340 27.549 -10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.901 28.361 -12.413 1.00 0.00 H new ATOM 146 N SER A 12 14.546 30.637 -10.190 1.00 0.00 N ATOM 147 CA SER A 12 13.770 31.827 -9.864 1.00 0.00 C ATOM 148 C SER A 12 13.079 31.673 -8.513 1.00 0.00 C ATOM 149 O SER A 12 12.833 32.654 -7.813 1.00 0.00 O ATOM 150 CB SER A 12 12.730 32.097 -10.954 1.00 0.00 C ATOM 151 OG SER A 12 13.352 32.343 -12.203 1.00 0.00 O ATOM 0 H SER A 12 14.066 29.974 -10.799 1.00 0.00 H new ATOM 0 HA SER A 12 14.455 32.673 -9.807 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.059 31.242 -11.040 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.119 32.955 -10.673 1.00 0.00 H new ATOM 0 HG SER A 12 12.666 32.511 -12.883 1.00 0.00 H new ATOM 157 N GLY A 13 12.770 30.431 -8.152 1.00 0.00 N ATOM 158 CA GLY A 13 12.110 30.169 -6.886 1.00 0.00 C ATOM 159 C GLY A 13 10.888 29.286 -7.040 1.00 0.00 C ATOM 160 O GLY A 13 10.518 28.558 -6.118 1.00 0.00 O ATOM 0 H GLY A 13 12.965 29.602 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.815 29.693 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.816 31.115 -6.431 1.00 0.00 H new ATOM 164 N LEU A 14 10.259 29.349 -8.208 1.00 0.00 N ATOM 165 CA LEU A 14 9.069 28.549 -8.481 1.00 0.00 C ATOM 166 C LEU A 14 9.319 27.078 -8.165 1.00 0.00 C ATOM 167 O LEU A 14 10.346 26.515 -8.545 1.00 0.00 O ATOM 168 CB LEU A 14 8.650 28.704 -9.943 1.00 0.00 C ATOM 169 CG LEU A 14 7.807 27.568 -10.524 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.832 28.104 -11.561 1.00 0.00 C ATOM 171 CD2 LEU A 14 8.701 26.498 -11.133 1.00 0.00 C ATOM 0 H LEU A 14 10.553 29.945 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 14 8.264 28.908 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.089 29.633 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.550 28.808 -10.549 1.00 0.00 H new ATOM 0 HG LEU A 14 7.233 27.116 -9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.241 27.282 -11.964 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.169 28.833 -11.095 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.386 28.582 -12.369 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.084 25.698 -11.541 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.302 26.936 -11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.359 26.093 -10.364 1.00 0.00 H new ATOM 183 N LYS A 15 8.371 26.459 -7.468 1.00 0.00 N ATOM 184 CA LYS A 15 8.485 25.052 -7.103 1.00 0.00 C ATOM 185 C LYS A 15 7.203 24.297 -7.440 1.00 0.00 C ATOM 186 O LYS A 15 6.116 24.874 -7.451 1.00 0.00 O ATOM 187 CB LYS A 15 8.793 24.914 -5.610 1.00 0.00 C ATOM 188 CG LYS A 15 10.212 25.312 -5.242 1.00 0.00 C ATOM 189 CD LYS A 15 10.454 25.193 -3.747 1.00 0.00 C ATOM 190 CE LYS A 15 9.727 26.283 -2.976 1.00 0.00 C ATOM 191 NZ LYS A 15 10.288 26.463 -1.608 1.00 0.00 N ATOM 0 H LYS A 15 7.515 26.910 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 15 9.303 24.619 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.094 25.530 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.624 23.881 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.919 24.679 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.398 26.338 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.119 24.215 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.523 25.254 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.796 27.223 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.668 26.033 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.765 27.215 -1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.199 25.573 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.292 26.727 -1.676 1.00 0.00 H new ATOM 205 N TYR A 16 7.338 23.004 -7.714 1.00 0.00 N ATOM 206 CA TYR A 16 6.190 22.171 -8.053 1.00 0.00 C ATOM 207 C TYR A 16 6.468 20.705 -7.732 1.00 0.00 C ATOM 208 O TYR A 16 7.520 20.171 -8.081 1.00 0.00 O ATOM 209 CB TYR A 16 5.842 22.323 -9.534 1.00 0.00 C ATOM 210 CG TYR A 16 7.039 22.216 -10.452 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.514 20.977 -10.864 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.696 23.353 -10.905 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.607 20.873 -11.702 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.789 23.259 -11.745 1.00 0.00 C ATOM 215 CZ TYR A 16 9.241 22.017 -12.140 1.00 0.00 C ATOM 216 OH TYR A 16 10.331 21.920 -12.974 1.00 0.00 O ATOM 0 H TYR A 16 8.230 22.510 -7.708 1.00 0.00 H new ATOM 0 HA TYR A 16 5.343 22.502 -7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.115 21.558 -9.808 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.362 23.289 -9.688 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.020 20.079 -10.523 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.347 24.327 -10.595 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.963 19.902 -12.012 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.287 24.153 -12.090 1.00 0.00 H new ATOM 0 HH TYR A 16 10.659 22.818 -13.190 1.00 0.00 H new ATOM 226 N GLU A 17 5.515 20.061 -7.065 1.00 0.00 N ATOM 227 CA GLU A 17 5.656 18.657 -6.697 1.00 0.00 C ATOM 228 C GLU A 17 4.481 17.837 -7.221 1.00 0.00 C ATOM 229 O GLU A 17 3.326 18.107 -6.892 1.00 0.00 O ATOM 230 CB GLU A 17 5.756 18.513 -5.177 1.00 0.00 C ATOM 231 CG GLU A 17 4.776 19.390 -4.417 1.00 0.00 C ATOM 232 CD GLU A 17 4.919 19.257 -2.913 1.00 0.00 C ATOM 233 OE1 GLU A 17 6.054 19.030 -2.444 1.00 0.00 O ATOM 234 OE2 GLU A 17 3.897 19.380 -2.206 1.00 0.00 O ATOM 0 H GLU A 17 4.638 20.489 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 17 6.572 18.279 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.583 17.471 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.770 18.760 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.929 20.431 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.759 19.127 -4.706 1.00 0.00 H new ATOM 241 N ASP A 18 4.785 16.834 -8.037 1.00 0.00 N ATOM 242 CA ASP A 18 3.755 15.972 -8.606 1.00 0.00 C ATOM 243 C ASP A 18 2.858 15.402 -7.512 1.00 0.00 C ATOM 244 O ASP A 18 3.341 14.913 -6.490 1.00 0.00 O ATOM 245 CB ASP A 18 4.395 14.834 -9.403 1.00 0.00 C ATOM 246 CG ASP A 18 4.823 13.679 -8.520 1.00 0.00 C ATOM 247 OD1 ASP A 18 3.963 12.837 -8.185 1.00 0.00 O ATOM 248 OD2 ASP A 18 6.018 13.616 -8.165 1.00 0.00 O ATOM 0 H ASP A 18 5.736 16.598 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 18 3.142 16.574 -9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.687 14.474 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.262 15.215 -9.943 1.00 0.00 H new ATOM 253 N LEU A 19 1.549 15.469 -7.733 1.00 0.00 N ATOM 254 CA LEU A 19 0.584 14.960 -6.765 1.00 0.00 C ATOM 255 C LEU A 19 -0.235 13.819 -7.361 1.00 0.00 C ATOM 256 O LEU A 19 -0.691 12.926 -6.645 1.00 0.00 O ATOM 257 CB LEU A 19 -0.347 16.083 -6.304 1.00 0.00 C ATOM 258 CG LEU A 19 -0.980 15.906 -4.924 1.00 0.00 C ATOM 259 CD1 LEU A 19 0.082 15.964 -3.837 1.00 0.00 C ATOM 260 CD2 LEU A 19 -2.047 16.965 -4.687 1.00 0.00 C ATOM 0 H LEU A 19 1.132 15.870 -8.573 1.00 0.00 H new ATOM 0 HA LEU A 19 1.136 14.578 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.214 17.017 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.146 16.189 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.455 14.925 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.388 15.836 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.810 15.168 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.587 16.929 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.487 16.824 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.596 17.956 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.824 16.875 -5.447 1.00 0.00 H new ATOM 272 N THR A 20 -0.416 13.852 -8.678 1.00 0.00 N ATOM 273 CA THR A 20 -1.178 12.821 -9.371 1.00 0.00 C ATOM 274 C THR A 20 -0.865 12.815 -10.863 1.00 0.00 C ATOM 275 O THR A 20 -1.156 13.779 -11.570 1.00 0.00 O ATOM 276 CB THR A 20 -2.693 13.016 -9.176 1.00 0.00 C ATOM 277 OG1 THR A 20 -2.966 13.426 -7.831 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.448 11.732 -9.483 1.00 0.00 C ATOM 0 H THR A 20 -0.045 14.582 -9.286 1.00 0.00 H new ATOM 0 HA THR A 20 -0.884 11.865 -8.937 1.00 0.00 H new ATOM 0 HB THR A 20 -3.029 13.790 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.332 12.993 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.516 11.894 -9.338 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.262 11.439 -10.516 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.107 10.941 -8.815 1.00 0.00 H new ATOM 286 N GLU A 21 -0.272 11.723 -11.334 1.00 0.00 N ATOM 287 CA GLU A 21 0.080 11.594 -12.744 1.00 0.00 C ATOM 288 C GLU A 21 -1.142 11.813 -13.632 1.00 0.00 C ATOM 289 O GLU A 21 -2.222 11.290 -13.361 1.00 0.00 O ATOM 290 CB GLU A 21 0.681 10.214 -13.017 1.00 0.00 C ATOM 291 CG GLU A 21 1.306 10.085 -14.396 1.00 0.00 C ATOM 292 CD GLU A 21 1.383 8.646 -14.870 1.00 0.00 C ATOM 293 OE1 GLU A 21 2.343 7.946 -14.487 1.00 0.00 O ATOM 294 OE2 GLU A 21 0.482 8.221 -15.623 1.00 0.00 O ATOM 0 H GLU A 21 -0.025 10.916 -10.761 1.00 0.00 H new ATOM 0 HA GLU A 21 0.820 12.359 -12.979 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.438 10.001 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.098 9.460 -12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.725 10.668 -15.110 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.309 10.512 -14.378 1.00 0.00 H new ATOM 301 N GLY A 22 -0.962 12.593 -14.694 1.00 0.00 N ATOM 302 CA GLY A 22 -2.056 12.869 -15.605 1.00 0.00 C ATOM 303 C GLY A 22 -1.785 12.363 -17.008 1.00 0.00 C ATOM 304 O GLY A 22 -0.731 12.637 -17.581 1.00 0.00 O ATOM 0 H GLY A 22 -0.078 13.038 -14.939 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.967 12.406 -15.225 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.235 13.944 -15.638 1.00 0.00 H new ATOM 308 N SER A 23 -2.739 11.620 -17.562 1.00 0.00 N ATOM 309 CA SER A 23 -2.595 11.069 -18.904 1.00 0.00 C ATOM 310 C SER A 23 -3.688 11.597 -19.828 1.00 0.00 C ATOM 311 O SER A 23 -4.655 10.898 -20.127 1.00 0.00 O ATOM 312 CB SER A 23 -2.644 9.541 -18.859 1.00 0.00 C ATOM 313 OG SER A 23 -1.375 8.999 -18.534 1.00 0.00 O ATOM 0 H SER A 23 -3.619 11.386 -17.102 1.00 0.00 H new ATOM 0 HA SER A 23 -1.628 11.383 -19.297 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.380 9.219 -18.122 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.971 9.156 -19.825 1.00 0.00 H new ATOM 0 HG SER A 23 -1.433 8.021 -18.510 1.00 0.00 H new ATOM 319 N GLY A 24 -3.527 12.839 -20.277 1.00 0.00 N ATOM 320 CA GLY A 24 -4.507 13.441 -21.162 1.00 0.00 C ATOM 321 C GLY A 24 -3.872 14.345 -22.200 1.00 0.00 C ATOM 322 O GLY A 24 -3.477 13.888 -23.273 1.00 0.00 O ATOM 0 H GLY A 24 -2.735 13.438 -20.043 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.070 12.654 -21.665 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.221 14.016 -20.572 1.00 0.00 H new ATOM 326 N ALA A 25 -3.776 15.631 -21.883 1.00 0.00 N ATOM 327 CA ALA A 25 -3.185 16.601 -22.796 1.00 0.00 C ATOM 328 C ALA A 25 -2.536 17.750 -22.032 1.00 0.00 C ATOM 329 O ALA A 25 -3.126 18.302 -21.104 1.00 0.00 O ATOM 330 CB ALA A 25 -4.239 17.132 -23.757 1.00 0.00 C ATOM 0 H ALA A 25 -4.100 16.026 -21.000 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.408 16.096 -23.370 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.783 17.856 -24.433 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.653 16.306 -24.335 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.036 17.615 -23.192 1.00 0.00 H new ATOM 336 N GLU A 26 -1.317 18.105 -22.429 1.00 0.00 N ATOM 337 CA GLU A 26 -0.588 19.188 -21.779 1.00 0.00 C ATOM 338 C GLU A 26 -1.122 20.547 -22.224 1.00 0.00 C ATOM 339 O GLU A 26 -1.273 20.806 -23.418 1.00 0.00 O ATOM 340 CB GLU A 26 0.906 19.087 -22.093 1.00 0.00 C ATOM 341 CG GLU A 26 1.724 20.241 -21.537 1.00 0.00 C ATOM 342 CD GLU A 26 3.185 20.164 -21.933 1.00 0.00 C ATOM 343 OE1 GLU A 26 3.914 19.331 -21.355 1.00 0.00 O ATOM 344 OE2 GLU A 26 3.600 20.936 -22.823 1.00 0.00 O ATOM 0 H GLU A 26 -0.815 17.659 -23.196 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.733 19.095 -20.703 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.291 18.151 -21.688 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.040 19.046 -23.174 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.305 21.183 -21.891 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.646 20.246 -20.450 1.00 0.00 H new ATOM 351 N ALA A 27 -1.406 21.411 -21.255 1.00 0.00 N ATOM 352 CA ALA A 27 -1.921 22.743 -21.546 1.00 0.00 C ATOM 353 C ALA A 27 -1.018 23.477 -22.532 1.00 0.00 C ATOM 354 O ALA A 27 0.197 23.544 -22.345 1.00 0.00 O ATOM 355 CB ALA A 27 -2.065 23.546 -20.262 1.00 0.00 C ATOM 0 H ALA A 27 -1.288 21.212 -20.262 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.904 22.633 -22.005 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.451 24.539 -20.495 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.756 23.037 -19.590 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.092 23.639 -19.780 1.00 0.00 H new ATOM 361 N ARG A 28 -1.620 24.026 -23.582 1.00 0.00 N ATOM 362 CA ARG A 28 -0.870 24.754 -24.599 1.00 0.00 C ATOM 363 C ARG A 28 -0.947 26.259 -24.359 1.00 0.00 C ATOM 364 O ARG A 28 -1.976 26.776 -23.926 1.00 0.00 O ATOM 365 CB ARG A 28 -1.404 24.421 -25.993 1.00 0.00 C ATOM 366 CG ARG A 28 -0.876 23.110 -26.551 1.00 0.00 C ATOM 367 CD ARG A 28 0.637 23.139 -26.703 1.00 0.00 C ATOM 368 NE ARG A 28 1.050 23.009 -28.098 1.00 0.00 N ATOM 369 CZ ARG A 28 0.963 21.877 -28.788 1.00 0.00 C ATOM 370 NH1 ARG A 28 0.480 20.783 -28.215 1.00 0.00 N ATOM 371 NH2 ARG A 28 1.358 21.838 -30.054 1.00 0.00 N ATOM 0 H ARG A 28 -2.625 23.981 -23.751 1.00 0.00 H new ATOM 0 HA ARG A 28 0.174 24.446 -24.534 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.492 24.378 -25.955 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.141 25.229 -26.676 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.161 22.291 -25.890 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.336 22.914 -27.519 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.024 24.073 -26.296 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.076 22.330 -26.118 1.00 0.00 H new ATOM 0 HE ARG A 28 1.426 23.832 -28.568 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.174 20.809 -27.242 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.414 19.915 -28.747 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.729 22.678 -30.499 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.291 20.968 -30.583 1.00 0.00 H new ATOM 385 N ALA A 29 0.149 26.955 -24.642 1.00 0.00 N ATOM 386 CA ALA A 29 0.205 28.400 -24.459 1.00 0.00 C ATOM 387 C ALA A 29 -0.695 29.116 -25.461 1.00 0.00 C ATOM 388 O ALA A 29 -0.625 28.864 -26.663 1.00 0.00 O ATOM 389 CB ALA A 29 1.638 28.893 -24.587 1.00 0.00 C ATOM 0 H ALA A 29 1.010 26.541 -24.999 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.158 28.629 -23.457 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.665 29.974 -24.448 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.257 28.414 -23.828 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.021 28.645 -25.577 1.00 0.00 H new ATOM 395 N GLY A 30 -1.541 30.009 -24.957 1.00 0.00 N ATOM 396 CA GLY A 30 -2.443 30.747 -25.822 1.00 0.00 C ATOM 397 C GLY A 30 -3.783 30.057 -25.985 1.00 0.00 C ATOM 398 O GLY A 30 -4.640 30.525 -26.734 1.00 0.00 O ATOM 0 H GLY A 30 -1.618 30.235 -23.965 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.599 31.745 -25.412 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.981 30.873 -26.801 1.00 0.00 H new ATOM 402 N GLN A 31 -3.963 28.943 -25.284 1.00 0.00 N ATOM 403 CA GLN A 31 -5.207 28.187 -25.358 1.00 0.00 C ATOM 404 C GLN A 31 -5.906 28.154 -24.002 1.00 0.00 C ATOM 405 O GLN A 31 -5.255 28.154 -22.956 1.00 0.00 O ATOM 406 CB GLN A 31 -4.935 26.760 -25.839 1.00 0.00 C ATOM 407 CG GLN A 31 -4.868 26.631 -27.352 1.00 0.00 C ATOM 408 CD GLN A 31 -4.495 25.232 -27.802 1.00 0.00 C ATOM 409 OE1 GLN A 31 -3.644 25.054 -28.673 1.00 0.00 O ATOM 410 NE2 GLN A 31 -5.132 24.229 -27.209 1.00 0.00 N ATOM 0 H GLN A 31 -3.263 28.544 -24.658 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.862 28.685 -26.073 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.994 26.414 -25.411 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.718 26.102 -25.461 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.834 26.901 -27.779 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.138 27.341 -27.741 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.831 24.422 -26.491 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.923 23.266 -27.471 1.00 0.00 H new ATOM 419 N THR A 32 -7.235 28.128 -24.027 1.00 0.00 N ATOM 420 CA THR A 32 -8.021 28.097 -22.801 1.00 0.00 C ATOM 421 C THR A 32 -7.994 26.712 -22.164 1.00 0.00 C ATOM 422 O THR A 32 -7.822 25.705 -22.852 1.00 0.00 O ATOM 423 CB THR A 32 -9.485 28.500 -23.062 1.00 0.00 C ATOM 424 OG1 THR A 32 -9.552 29.419 -24.158 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.101 29.134 -21.824 1.00 0.00 C ATOM 0 H THR A 32 -7.789 28.128 -24.883 1.00 0.00 H new ATOM 0 HA THR A 32 -7.569 28.817 -22.118 1.00 0.00 H new ATOM 0 HB THR A 32 -10.048 27.600 -23.308 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.486 29.669 -24.319 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.135 29.410 -22.033 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.075 28.422 -20.999 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.535 30.025 -21.552 1.00 0.00 H new ATOM 433 N VAL A 33 -8.164 26.668 -20.847 1.00 0.00 N ATOM 434 CA VAL A 33 -8.160 25.405 -20.117 1.00 0.00 C ATOM 435 C VAL A 33 -8.814 25.559 -18.749 1.00 0.00 C ATOM 436 O VAL A 33 -8.643 26.578 -18.079 1.00 0.00 O ATOM 437 CB VAL A 33 -6.729 24.868 -19.933 1.00 0.00 C ATOM 438 CG1 VAL A 33 -5.910 25.815 -19.070 1.00 0.00 C ATOM 439 CG2 VAL A 33 -6.758 23.472 -19.328 1.00 0.00 C ATOM 0 H VAL A 33 -8.306 27.492 -20.263 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.733 24.694 -20.712 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.254 24.805 -20.912 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.902 25.419 -18.951 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.861 26.793 -19.548 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.379 25.913 -18.091 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.738 23.108 -19.205 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.251 23.507 -18.356 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.306 22.800 -19.989 1.00 0.00 H new ATOM 449 N SER A 34 -9.563 24.541 -18.338 1.00 0.00 N ATOM 450 CA SER A 34 -10.245 24.564 -17.050 1.00 0.00 C ATOM 451 C SER A 34 -9.518 23.689 -16.034 1.00 0.00 C ATOM 452 O SER A 34 -9.268 22.508 -16.279 1.00 0.00 O ATOM 453 CB SER A 34 -11.691 24.089 -17.206 1.00 0.00 C ATOM 454 OG SER A 34 -11.958 23.700 -18.542 1.00 0.00 O ATOM 0 H SER A 34 -9.713 23.689 -18.879 1.00 0.00 H new ATOM 0 HA SER A 34 -10.244 25.591 -16.685 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.876 23.250 -16.536 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.373 24.887 -16.913 1.00 0.00 H new ATOM 0 HG SER A 34 -12.888 23.399 -18.615 1.00 0.00 H new ATOM 460 N VAL A 35 -9.179 24.277 -14.891 1.00 0.00 N ATOM 461 CA VAL A 35 -8.481 23.552 -13.836 1.00 0.00 C ATOM 462 C VAL A 35 -8.945 24.006 -12.456 1.00 0.00 C ATOM 463 O VAL A 35 -9.617 25.030 -12.322 1.00 0.00 O ATOM 464 CB VAL A 35 -6.956 23.740 -13.940 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.488 23.530 -15.372 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.554 25.118 -13.435 1.00 0.00 C ATOM 0 H VAL A 35 -9.376 25.253 -14.672 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.720 22.497 -13.967 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.471 22.992 -13.312 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.408 23.667 -15.426 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.742 22.520 -15.693 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.978 24.252 -16.025 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.473 25.234 -13.516 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.047 25.883 -14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.854 25.225 -12.392 1.00 0.00 H new ATOM 476 N HIS A 36 -8.583 23.239 -11.433 1.00 0.00 N ATOM 477 CA HIS A 36 -8.962 23.564 -10.063 1.00 0.00 C ATOM 478 C HIS A 36 -7.763 24.088 -9.278 1.00 0.00 C ATOM 479 O HIS A 36 -6.685 23.494 -9.301 1.00 0.00 O ATOM 480 CB HIS A 36 -9.543 22.333 -9.366 1.00 0.00 C ATOM 481 CG HIS A 36 -11.030 22.213 -9.503 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.872 23.304 -9.541 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.823 21.122 -9.613 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.120 22.889 -9.667 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.118 21.569 -9.714 1.00 0.00 N ATOM 0 H HIS A 36 -8.028 22.388 -11.527 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.722 24.345 -10.098 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.075 21.438 -9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.286 22.370 -8.307 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.498 20.092 -9.620 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.994 23.522 -9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.944 20.978 -9.810 1.00 0.00 H new ATOM 493 N TYR A 37 -7.959 25.204 -8.584 1.00 0.00 N ATOM 494 CA TYR A 37 -6.894 25.811 -7.795 1.00 0.00 C ATOM 495 C TYR A 37 -7.248 25.813 -6.311 1.00 0.00 C ATOM 496 O TYR A 37 -8.398 26.046 -5.935 1.00 0.00 O ATOM 497 CB TYR A 37 -6.629 27.240 -8.270 1.00 0.00 C ATOM 498 CG TYR A 37 -7.784 28.184 -8.023 1.00 0.00 C ATOM 499 CD1 TYR A 37 -7.964 28.783 -6.782 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.696 28.476 -9.029 1.00 0.00 C ATOM 501 CE1 TYR A 37 -9.018 29.646 -6.551 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.752 29.338 -8.808 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.909 29.920 -7.567 1.00 0.00 C ATOM 504 OH TYR A 37 -10.961 30.779 -7.342 1.00 0.00 O ATOM 0 H TYR A 37 -8.846 25.707 -8.552 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.991 25.217 -7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.743 27.624 -7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.406 27.224 -9.337 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.268 28.570 -5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.577 28.021 -10.001 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.143 30.103 -5.581 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.451 29.555 -9.602 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.494 30.865 -8.160 1.00 0.00 H new ATOM 514 N THR A 38 -6.252 25.552 -5.471 1.00 0.00 N ATOM 515 CA THR A 38 -6.457 25.523 -4.028 1.00 0.00 C ATOM 516 C THR A 38 -5.346 26.271 -3.300 1.00 0.00 C ATOM 517 O THR A 38 -4.188 25.856 -3.320 1.00 0.00 O ATOM 518 CB THR A 38 -6.520 24.078 -3.498 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.395 23.153 -4.584 1.00 0.00 O ATOM 520 CG2 THR A 38 -7.827 23.829 -2.761 1.00 0.00 C ATOM 0 H THR A 38 -5.295 25.358 -5.765 1.00 0.00 H new ATOM 0 HA THR A 38 -7.410 26.015 -3.834 1.00 0.00 H new ATOM 0 HB THR A 38 -5.695 23.933 -2.801 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.565 22.244 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.849 22.802 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.906 24.516 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.664 23.990 -3.440 1.00 0.00 H new ATOM 528 N GLY A 39 -5.707 27.377 -2.656 1.00 0.00 N ATOM 529 CA GLY A 39 -4.728 28.165 -1.929 1.00 0.00 C ATOM 530 C GLY A 39 -4.529 27.676 -0.509 1.00 0.00 C ATOM 531 O GLY A 39 -5.489 27.545 0.250 1.00 0.00 O ATOM 0 H GLY A 39 -6.659 27.741 -2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.775 28.133 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.047 29.207 -1.910 1.00 0.00 H new ATOM 535 N TRP A 40 -3.280 27.404 -0.148 1.00 0.00 N ATOM 536 CA TRP A 40 -2.958 26.924 1.191 1.00 0.00 C ATOM 537 C TRP A 40 -1.805 27.720 1.792 1.00 0.00 C ATOM 538 O TRP A 40 -0.801 27.977 1.126 1.00 0.00 O ATOM 539 CB TRP A 40 -2.602 25.437 1.150 1.00 0.00 C ATOM 540 CG TRP A 40 -3.796 24.544 0.997 1.00 0.00 C ATOM 541 CD1 TRP A 40 -4.992 24.656 1.646 1.00 0.00 C ATOM 542 CD2 TRP A 40 -3.907 23.403 0.140 1.00 0.00 C ATOM 543 NE1 TRP A 40 -5.840 23.652 1.245 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.199 22.871 0.321 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.042 22.779 -0.764 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -5.643 21.745 -0.368 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.485 21.662 -1.447 1.00 0.00 C ATOM 548 CH2 TRP A 40 -4.776 21.155 -1.247 1.00 0.00 C ATOM 0 H TRP A 40 -2.474 27.508 -0.764 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.837 27.062 1.821 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.915 25.258 0.323 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.074 25.172 2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.236 25.421 2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.793 23.511 1.581 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.046 23.163 -0.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -6.637 21.351 -0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.825 21.171 -2.147 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.093 20.281 -1.797 1.00 0.00 H new ATOM 559 N LEU A 41 -1.954 28.108 3.054 1.00 0.00 N ATOM 560 CA LEU A 41 -0.923 28.875 3.745 1.00 0.00 C ATOM 561 C LEU A 41 0.244 27.980 4.148 1.00 0.00 C ATOM 562 O LEU A 41 0.167 26.755 4.042 1.00 0.00 O ATOM 563 CB LEU A 41 -1.510 29.555 4.983 1.00 0.00 C ATOM 564 CG LEU A 41 -1.930 31.016 4.811 1.00 0.00 C ATOM 565 CD1 LEU A 41 -2.812 31.458 5.968 1.00 0.00 C ATOM 566 CD2 LEU A 41 -0.705 31.912 4.698 1.00 0.00 C ATOM 0 H LEU A 41 -2.778 27.904 3.619 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.552 29.637 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.379 28.984 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.774 29.501 5.786 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.506 31.103 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.101 32.500 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.706 30.835 6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.263 31.356 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.022 32.948 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.103 31.821 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.112 31.610 3.835 1.00 0.00 H new ATOM 578 N THR A 42 1.325 28.598 4.614 1.00 0.00 N ATOM 579 CA THR A 42 2.507 27.858 5.034 1.00 0.00 C ATOM 580 C THR A 42 2.151 26.790 6.062 1.00 0.00 C ATOM 581 O THR A 42 2.718 25.698 6.059 1.00 0.00 O ATOM 582 CB THR A 42 3.574 28.795 5.632 1.00 0.00 C ATOM 583 OG1 THR A 42 3.078 29.399 6.832 1.00 0.00 O ATOM 584 CG2 THR A 42 3.962 29.878 4.637 1.00 0.00 C ATOM 0 H THR A 42 1.405 29.610 4.710 1.00 0.00 H new ATOM 0 HA THR A 42 2.913 27.379 4.143 1.00 0.00 H new ATOM 0 HB THR A 42 4.459 28.202 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.762 29.992 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.716 30.527 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.366 29.416 3.736 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.082 30.468 4.379 1.00 0.00 H new ATOM 592 N ASP A 43 1.209 27.113 6.941 1.00 0.00 N ATOM 593 CA ASP A 43 0.775 26.180 7.975 1.00 0.00 C ATOM 594 C ASP A 43 -0.302 25.241 7.442 1.00 0.00 C ATOM 595 O ASP A 43 -0.591 24.207 8.043 1.00 0.00 O ATOM 596 CB ASP A 43 0.249 26.943 9.192 1.00 0.00 C ATOM 597 CG ASP A 43 1.362 27.411 10.108 1.00 0.00 C ATOM 598 OD1 ASP A 43 2.105 28.335 9.717 1.00 0.00 O ATOM 599 OD2 ASP A 43 1.490 26.852 11.218 1.00 0.00 O ATOM 0 H ASP A 43 0.731 28.014 6.959 1.00 0.00 H new ATOM 0 HA ASP A 43 1.636 25.582 8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.327 27.805 8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.433 26.303 9.752 1.00 0.00 H new ATOM 604 N GLY A 44 -0.895 25.610 6.311 1.00 0.00 N ATOM 605 CA GLY A 44 -1.935 24.790 5.717 1.00 0.00 C ATOM 606 C GLY A 44 -3.269 25.508 5.645 1.00 0.00 C ATOM 607 O GLY A 44 -4.181 25.066 4.947 1.00 0.00 O ATOM 0 H GLY A 44 -0.674 26.462 5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.631 24.493 4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.049 23.875 6.299 1.00 0.00 H new ATOM 611 N GLN A 45 -3.382 26.616 6.370 1.00 0.00 N ATOM 612 CA GLN A 45 -4.615 27.394 6.386 1.00 0.00 C ATOM 613 C GLN A 45 -5.064 27.733 4.968 1.00 0.00 C ATOM 614 O GLN A 45 -4.416 28.512 4.269 1.00 0.00 O ATOM 615 CB GLN A 45 -4.422 28.679 7.193 1.00 0.00 C ATOM 616 CG GLN A 45 -4.749 28.526 8.669 1.00 0.00 C ATOM 617 CD GLN A 45 -4.409 29.764 9.474 1.00 0.00 C ATOM 618 OE1 GLN A 45 -3.770 29.681 10.524 1.00 0.00 O ATOM 619 NE2 GLN A 45 -4.835 30.923 8.986 1.00 0.00 N ATOM 0 H GLN A 45 -2.636 26.995 6.953 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.390 26.790 6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.389 29.010 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.051 29.462 6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.810 28.305 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.202 27.674 9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.361 30.946 8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.636 31.790 9.485 1.00 0.00 H new ATOM 628 N LYS A 46 -6.178 27.142 4.549 1.00 0.00 N ATOM 629 CA LYS A 46 -6.716 27.381 3.215 1.00 0.00 C ATOM 630 C LYS A 46 -7.293 28.788 3.105 1.00 0.00 C ATOM 631 O LYS A 46 -8.014 29.245 3.992 1.00 0.00 O ATOM 632 CB LYS A 46 -7.796 26.348 2.885 1.00 0.00 C ATOM 633 CG LYS A 46 -8.079 26.217 1.399 1.00 0.00 C ATOM 634 CD LYS A 46 -9.388 25.489 1.142 1.00 0.00 C ATOM 635 CE LYS A 46 -9.308 24.031 1.567 1.00 0.00 C ATOM 636 NZ LYS A 46 -8.957 23.139 0.427 1.00 0.00 N ATOM 0 H LYS A 46 -6.726 26.494 5.114 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.900 27.285 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.490 25.377 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.717 26.621 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.118 27.208 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.262 25.679 0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.193 25.984 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.636 25.547 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.563 23.923 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.265 23.723 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.912 22.154 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.681 23.223 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.032 23.417 0.041 1.00 0.00 H new ATOM 650 N PHE A 47 -6.973 29.470 2.010 1.00 0.00 N ATOM 651 CA PHE A 47 -7.461 30.826 1.784 1.00 0.00 C ATOM 652 C PHE A 47 -8.006 30.979 0.367 1.00 0.00 C ATOM 653 O PHE A 47 -8.118 32.090 -0.150 1.00 0.00 O ATOM 654 CB PHE A 47 -6.341 31.840 2.024 1.00 0.00 C ATOM 655 CG PHE A 47 -5.115 31.587 1.193 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.055 32.010 -0.125 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.022 30.925 1.731 1.00 0.00 C ATOM 658 CE1 PHE A 47 -3.929 31.779 -0.892 1.00 0.00 C ATOM 659 CE2 PHE A 47 -2.893 30.692 0.969 1.00 0.00 C ATOM 660 CZ PHE A 47 -2.846 31.118 -0.344 1.00 0.00 C ATOM 0 H PHE A 47 -6.378 29.106 1.266 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.271 31.016 2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.716 32.841 1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.065 31.822 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.899 32.527 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.053 30.588 2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.895 32.114 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.047 30.177 1.400 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.965 30.935 -0.941 1.00 0.00 H new ATOM 670 N ASP A 48 -8.342 29.854 -0.256 1.00 0.00 N ATOM 671 CA ASP A 48 -8.875 29.862 -1.613 1.00 0.00 C ATOM 672 C ASP A 48 -9.192 28.444 -2.080 1.00 0.00 C ATOM 673 O ASP A 48 -8.359 27.544 -1.974 1.00 0.00 O ATOM 674 CB ASP A 48 -7.880 30.517 -2.571 1.00 0.00 C ATOM 675 CG ASP A 48 -8.533 31.554 -3.464 1.00 0.00 C ATOM 676 OD1 ASP A 48 -9.750 31.438 -3.715 1.00 0.00 O ATOM 677 OD2 ASP A 48 -7.826 32.482 -3.911 1.00 0.00 O ATOM 0 H ASP A 48 -8.255 28.926 0.157 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.799 30.440 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.082 30.987 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.416 29.749 -3.190 1.00 0.00 H new ATOM 682 N SER A 49 -10.403 28.253 -2.595 1.00 0.00 N ATOM 683 CA SER A 49 -10.832 26.944 -3.074 1.00 0.00 C ATOM 684 C SER A 49 -11.748 27.083 -4.286 1.00 0.00 C ATOM 685 O SER A 49 -12.823 27.677 -4.201 1.00 0.00 O ATOM 686 CB SER A 49 -11.552 26.182 -1.960 1.00 0.00 C ATOM 687 OG SER A 49 -12.904 26.593 -1.853 1.00 0.00 O ATOM 0 H SER A 49 -11.104 28.988 -2.691 1.00 0.00 H new ATOM 0 HA SER A 49 -9.946 26.384 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.509 25.111 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.041 26.350 -1.012 1.00 0.00 H new ATOM 0 HG SER A 49 -13.064 27.351 -2.453 1.00 0.00 H new ATOM 693 N SER A 50 -11.314 26.530 -5.414 1.00 0.00 N ATOM 694 CA SER A 50 -12.092 26.594 -6.646 1.00 0.00 C ATOM 695 C SER A 50 -13.346 25.732 -6.541 1.00 0.00 C ATOM 696 O SER A 50 -14.365 26.017 -7.172 1.00 0.00 O ATOM 697 CB SER A 50 -11.243 26.138 -7.834 1.00 0.00 C ATOM 698 OG SER A 50 -10.591 24.912 -7.555 1.00 0.00 O ATOM 0 H SER A 50 -10.428 26.033 -5.500 1.00 0.00 H new ATOM 0 HA SER A 50 -12.396 27.629 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.875 26.025 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.502 26.902 -8.070 1.00 0.00 H new ATOM 0 HG SER A 50 -10.999 24.196 -8.086 1.00 0.00 H new ATOM 704 N LYS A 51 -13.265 24.674 -5.741 1.00 0.00 N ATOM 705 CA LYS A 51 -14.392 23.769 -5.551 1.00 0.00 C ATOM 706 C LYS A 51 -15.587 24.506 -4.956 1.00 0.00 C ATOM 707 O LYS A 51 -16.729 24.067 -5.090 1.00 0.00 O ATOM 708 CB LYS A 51 -13.991 22.606 -4.640 1.00 0.00 C ATOM 709 CG LYS A 51 -13.108 21.576 -5.323 1.00 0.00 C ATOM 710 CD LYS A 51 -13.905 20.704 -6.279 1.00 0.00 C ATOM 711 CE LYS A 51 -14.198 19.339 -5.675 1.00 0.00 C ATOM 712 NZ LYS A 51 -15.400 19.367 -4.796 1.00 0.00 N ATOM 0 H LYS A 51 -12.429 24.422 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.679 23.376 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.468 23.001 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.892 22.114 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.312 22.083 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.630 20.949 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.842 21.200 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.350 20.580 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.349 18.613 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.335 19.004 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.596 18.408 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.227 20.002 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.218 19.711 -5.338 1.00 0.00 H new ATOM 726 N ASP A 52 -15.317 25.629 -4.299 1.00 0.00 N ATOM 727 CA ASP A 52 -16.371 26.428 -3.685 1.00 0.00 C ATOM 728 C ASP A 52 -17.459 26.764 -4.700 1.00 0.00 C ATOM 729 O ASP A 52 -18.649 26.612 -4.423 1.00 0.00 O ATOM 730 CB ASP A 52 -15.788 27.715 -3.098 1.00 0.00 C ATOM 731 CG ASP A 52 -16.857 28.629 -2.532 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.665 28.156 -1.705 1.00 0.00 O ATOM 733 OD2 ASP A 52 -16.887 29.817 -2.916 1.00 0.00 O ATOM 0 H ASP A 52 -14.377 26.006 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.817 25.841 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.076 27.463 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.233 28.245 -3.872 1.00 0.00 H new ATOM 738 N ARG A 53 -17.043 27.223 -5.876 1.00 0.00 N ATOM 739 CA ARG A 53 -17.982 27.583 -6.931 1.00 0.00 C ATOM 740 C ARG A 53 -18.590 26.336 -7.567 1.00 0.00 C ATOM 741 O ARG A 53 -19.548 26.423 -8.333 1.00 0.00 O ATOM 742 CB ARG A 53 -17.283 28.425 -8.000 1.00 0.00 C ATOM 743 CG ARG A 53 -18.227 29.323 -8.782 1.00 0.00 C ATOM 744 CD ARG A 53 -17.546 30.617 -9.201 1.00 0.00 C ATOM 745 NE ARG A 53 -16.664 30.424 -10.350 1.00 0.00 N ATOM 746 CZ ARG A 53 -15.921 31.391 -10.877 1.00 0.00 C ATOM 747 NH1 ARG A 53 -15.954 32.612 -10.361 1.00 0.00 N ATOM 748 NH2 ARG A 53 -15.144 31.137 -11.922 1.00 0.00 N ATOM 0 H ARG A 53 -16.062 27.354 -6.122 1.00 0.00 H new ATOM 0 HA ARG A 53 -18.784 28.170 -6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.520 29.041 -7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.768 27.761 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.584 28.795 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -19.102 29.552 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.303 31.362 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.970 31.011 -8.364 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.616 29.496 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.551 32.810 -9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.383 33.353 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.117 30.199 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.574 31.880 -12.326 1.00 0.00 H new ATOM 762 N ASN A 54 -18.024 25.178 -7.243 1.00 0.00 N ATOM 763 CA ASN A 54 -18.509 23.913 -7.784 1.00 0.00 C ATOM 764 C ASN A 54 -18.334 23.866 -9.299 1.00 0.00 C ATOM 765 O ASN A 54 -19.056 23.152 -9.995 1.00 0.00 O ATOM 766 CB ASN A 54 -19.982 23.712 -7.423 1.00 0.00 C ATOM 767 CG ASN A 54 -20.450 22.292 -7.674 1.00 0.00 C ATOM 768 OD1 ASN A 54 -19.640 21.383 -7.859 1.00 0.00 O ATOM 769 ND2 ASN A 54 -21.763 22.094 -7.680 1.00 0.00 N ATOM 0 H ASN A 54 -17.230 25.089 -6.609 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.920 23.108 -7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.133 23.961 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.593 24.401 -8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -22.137 21.159 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -22.398 22.877 -7.522 1.00 0.00 H new ATOM 776 N ASP A 55 -17.371 24.630 -9.801 1.00 0.00 N ATOM 777 CA ASP A 55 -17.099 24.675 -11.233 1.00 0.00 C ATOM 778 C ASP A 55 -15.611 24.882 -11.498 1.00 0.00 C ATOM 779 O ASP A 55 -14.899 25.514 -10.717 1.00 0.00 O ATOM 780 CB ASP A 55 -17.908 25.793 -11.893 1.00 0.00 C ATOM 781 CG ASP A 55 -18.833 25.276 -12.977 1.00 0.00 C ATOM 782 OD1 ASP A 55 -19.804 24.566 -12.640 1.00 0.00 O ATOM 783 OD2 ASP A 55 -18.587 25.582 -14.162 1.00 0.00 O ATOM 0 H ASP A 55 -16.765 25.227 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.396 23.719 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.496 26.309 -11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.226 26.527 -12.321 1.00 0.00 H new ATOM 788 N PRO A 56 -15.128 24.338 -12.625 1.00 0.00 N ATOM 789 CA PRO A 56 -13.721 24.450 -13.018 1.00 0.00 C ATOM 790 C PRO A 56 -13.344 25.870 -13.426 1.00 0.00 C ATOM 791 O PRO A 56 -14.152 26.595 -14.006 1.00 0.00 O ATOM 792 CB PRO A 56 -13.610 23.502 -14.215 1.00 0.00 C ATOM 793 CG PRO A 56 -14.989 23.438 -14.776 1.00 0.00 C ATOM 794 CD PRO A 56 -15.920 23.572 -13.602 1.00 0.00 C ATOM 0 HA PRO A 56 -13.048 24.202 -12.197 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.900 23.876 -14.952 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.261 22.516 -13.908 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.154 24.238 -15.498 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.154 22.496 -15.300 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.837 24.094 -13.874 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.212 22.599 -13.208 1.00 0.00 H new ATOM 802 N PHE A 57 -12.111 26.261 -13.121 1.00 0.00 N ATOM 803 CA PHE A 57 -11.627 27.595 -13.456 1.00 0.00 C ATOM 804 C PHE A 57 -11.032 27.620 -14.861 1.00 0.00 C ATOM 805 O PHE A 57 -9.903 27.179 -15.077 1.00 0.00 O ATOM 806 CB PHE A 57 -10.580 28.052 -12.438 1.00 0.00 C ATOM 807 CG PHE A 57 -9.920 29.351 -12.800 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.672 30.503 -12.967 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.547 29.422 -12.971 1.00 0.00 C ATOM 810 CE1 PHE A 57 -10.066 31.700 -13.300 1.00 0.00 C ATOM 811 CE2 PHE A 57 -7.936 30.616 -13.304 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.697 31.757 -13.468 1.00 0.00 C ATOM 0 H PHE A 57 -11.429 25.673 -12.642 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.474 28.280 -13.427 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.054 28.154 -11.462 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.817 27.280 -12.342 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.743 30.465 -12.836 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.947 28.533 -12.842 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.663 32.590 -13.429 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.865 30.657 -13.436 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.222 32.692 -13.727 1.00 0.00 H new ATOM 822 N ALA A 58 -11.799 28.140 -15.813 1.00 0.00 N ATOM 823 CA ALA A 58 -11.348 28.225 -17.197 1.00 0.00 C ATOM 824 C ALA A 58 -10.630 29.544 -17.460 1.00 0.00 C ATOM 825 O ALA A 58 -11.219 30.619 -17.337 1.00 0.00 O ATOM 826 CB ALA A 58 -12.526 28.064 -18.147 1.00 0.00 C ATOM 0 H ALA A 58 -12.736 28.509 -15.651 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.640 27.415 -17.373 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.175 28.130 -19.177 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.994 27.093 -17.985 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.254 28.854 -17.961 1.00 0.00 H new ATOM 832 N PHE A 59 -9.355 29.456 -17.824 1.00 0.00 N ATOM 833 CA PHE A 59 -8.556 30.644 -18.103 1.00 0.00 C ATOM 834 C PHE A 59 -7.686 30.436 -19.339 1.00 0.00 C ATOM 835 O PHE A 59 -7.607 29.331 -19.877 1.00 0.00 O ATOM 836 CB PHE A 59 -7.677 30.988 -16.899 1.00 0.00 C ATOM 837 CG PHE A 59 -6.486 30.085 -16.749 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.629 28.808 -16.230 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.224 30.512 -17.127 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.535 27.975 -16.090 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.126 29.684 -16.990 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.282 28.413 -16.472 1.00 0.00 C ATOM 0 H PHE A 59 -8.853 28.575 -17.933 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.238 31.473 -18.295 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.333 32.018 -16.993 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.280 30.935 -15.992 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.607 28.460 -15.931 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.096 31.504 -17.534 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.660 26.983 -15.682 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.147 30.030 -17.288 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.426 27.763 -16.366 1.00 0.00 H new ATOM 852 N VAL A 60 -7.036 31.506 -19.785 1.00 0.00 N ATOM 853 CA VAL A 60 -6.172 31.442 -20.957 1.00 0.00 C ATOM 854 C VAL A 60 -4.727 31.160 -20.560 1.00 0.00 C ATOM 855 O VAL A 60 -4.195 31.775 -19.635 1.00 0.00 O ATOM 856 CB VAL A 60 -6.224 32.752 -21.766 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.518 32.584 -23.102 1.00 0.00 C ATOM 858 CG2 VAL A 60 -7.665 33.196 -21.967 1.00 0.00 C ATOM 0 H VAL A 60 -7.092 32.428 -19.352 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.541 30.626 -21.578 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.704 33.527 -21.203 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.565 33.520 -23.659 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.475 32.316 -22.931 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.006 31.796 -23.675 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.684 34.123 -22.540 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.212 32.424 -22.508 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.134 33.360 -20.997 1.00 0.00 H new ATOM 868 N LEU A 61 -4.097 30.228 -21.266 1.00 0.00 N ATOM 869 CA LEU A 61 -2.711 29.864 -20.988 1.00 0.00 C ATOM 870 C LEU A 61 -1.758 30.968 -21.434 1.00 0.00 C ATOM 871 O LEU A 61 -1.774 31.385 -22.592 1.00 0.00 O ATOM 872 CB LEU A 61 -2.357 28.552 -21.691 1.00 0.00 C ATOM 873 CG LEU A 61 -1.371 27.642 -20.958 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.328 28.469 -20.222 1.00 0.00 C ATOM 875 CD2 LEU A 61 -2.108 26.727 -19.991 1.00 0.00 C ATOM 0 H LEU A 61 -4.523 29.710 -22.035 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.604 29.732 -19.911 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.278 27.994 -21.861 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.942 28.789 -22.671 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.860 27.023 -21.695 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.365 27.805 -19.706 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.221 29.082 -20.937 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.822 29.114 -19.495 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.391 26.086 -19.478 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.646 27.329 -19.258 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.816 26.109 -20.543 1.00 0.00 H new ATOM 887 N GLY A 62 -0.927 31.435 -20.508 1.00 0.00 N ATOM 888 CA GLY A 62 0.023 32.485 -20.826 1.00 0.00 C ATOM 889 C GLY A 62 0.251 33.433 -19.665 1.00 0.00 C ATOM 890 O GLY A 62 1.272 33.356 -18.983 1.00 0.00 O ATOM 0 H GLY A 62 -0.894 31.105 -19.543 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.973 32.036 -21.116 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.338 33.049 -21.686 1.00 0.00 H new ATOM 894 N GLY A 63 -0.703 34.331 -19.441 1.00 0.00 N ATOM 895 CA GLY A 63 -0.582 35.286 -18.355 1.00 0.00 C ATOM 896 C GLY A 63 -1.843 36.104 -18.159 1.00 0.00 C ATOM 897 O GLY A 63 -1.784 37.255 -17.728 1.00 0.00 O ATOM 0 H GLY A 63 -1.557 34.414 -19.992 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.350 34.754 -17.432 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.254 35.956 -18.556 1.00 0.00 H new ATOM 901 N GLY A 64 -2.989 35.510 -18.479 1.00 0.00 N ATOM 902 CA GLY A 64 -4.253 36.207 -18.330 1.00 0.00 C ATOM 903 C GLY A 64 -4.938 35.891 -17.016 1.00 0.00 C ATOM 904 O GLY A 64 -5.432 34.781 -16.817 1.00 0.00 O ATOM 0 H GLY A 64 -3.064 34.559 -18.839 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.082 37.281 -18.398 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.913 35.937 -19.154 1.00 0.00 H new ATOM 908 N MET A 65 -4.968 36.868 -16.116 1.00 0.00 N ATOM 909 CA MET A 65 -5.598 36.688 -14.813 1.00 0.00 C ATOM 910 C MET A 65 -4.875 35.616 -14.003 1.00 0.00 C ATOM 911 O MET A 65 -5.443 35.034 -13.078 1.00 0.00 O ATOM 912 CB MET A 65 -7.070 36.310 -14.983 1.00 0.00 C ATOM 913 CG MET A 65 -8.032 37.407 -14.558 1.00 0.00 C ATOM 914 SD MET A 65 -8.475 38.506 -15.918 1.00 0.00 S ATOM 915 CE MET A 65 -9.515 39.692 -15.069 1.00 0.00 C ATOM 0 H MET A 65 -4.564 37.792 -16.265 1.00 0.00 H new ATOM 0 HA MET A 65 -5.533 37.632 -14.272 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.254 36.061 -16.028 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.276 35.412 -14.400 1.00 0.00 H new ATOM 0 HG2 MET A 65 -8.937 36.955 -14.152 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.580 37.991 -13.756 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.869 40.440 -15.779 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.369 39.177 -14.628 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.941 40.182 -14.282 1.00 0.00 H new ATOM 925 N VAL A 66 -3.620 35.358 -14.358 1.00 0.00 N ATOM 926 CA VAL A 66 -2.820 34.356 -13.663 1.00 0.00 C ATOM 927 C VAL A 66 -1.450 34.910 -13.288 1.00 0.00 C ATOM 928 O VAL A 66 -1.073 36.002 -13.716 1.00 0.00 O ATOM 929 CB VAL A 66 -2.632 33.093 -14.524 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.976 32.579 -15.019 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.698 33.378 -15.691 1.00 0.00 C ATOM 0 H VAL A 66 -3.136 35.829 -15.122 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.363 34.091 -12.755 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.179 32.318 -13.907 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.823 31.686 -15.626 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.609 32.334 -14.166 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.460 33.348 -15.621 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.576 32.475 -16.289 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.121 34.169 -16.311 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.727 33.695 -15.311 1.00 0.00 H new ATOM 941 N ILE A 67 -0.710 34.152 -12.487 1.00 0.00 N ATOM 942 CA ILE A 67 0.619 34.566 -12.055 1.00 0.00 C ATOM 943 C ILE A 67 1.703 33.763 -12.766 1.00 0.00 C ATOM 944 O ILE A 67 1.425 32.736 -13.385 1.00 0.00 O ATOM 945 CB ILE A 67 0.792 34.406 -10.533 1.00 0.00 C ATOM 946 CG1 ILE A 67 0.936 32.928 -10.167 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.386 35.027 -9.798 1.00 0.00 C ATOM 948 CD1 ILE A 67 0.994 32.677 -8.676 1.00 0.00 C ATOM 0 H ILE A 67 -1.008 33.247 -12.124 1.00 0.00 H new ATOM 0 HA ILE A 67 0.721 35.620 -12.315 1.00 0.00 H new ATOM 0 HB ILE A 67 1.700 34.926 -10.229 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.097 32.374 -10.588 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.841 32.534 -10.629 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.249 34.906 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.447 36.088 -10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.308 34.532 -10.104 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.096 31.608 -8.491 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.850 33.202 -8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.078 33.040 -8.210 1.00 0.00 H new ATOM 960 N LYS A 68 2.940 34.238 -12.672 1.00 0.00 N ATOM 961 CA LYS A 68 4.069 33.564 -13.303 1.00 0.00 C ATOM 962 C LYS A 68 4.046 32.069 -13.003 1.00 0.00 C ATOM 963 O LYS A 68 4.045 31.243 -13.914 1.00 0.00 O ATOM 964 CB LYS A 68 5.387 34.172 -12.820 1.00 0.00 C ATOM 965 CG LYS A 68 5.768 35.453 -13.544 1.00 0.00 C ATOM 966 CD LYS A 68 7.228 35.807 -13.319 1.00 0.00 C ATOM 967 CE LYS A 68 8.141 35.021 -14.247 1.00 0.00 C ATOM 968 NZ LYS A 68 7.979 35.435 -15.668 1.00 0.00 N ATOM 0 H LYS A 68 3.187 35.088 -12.165 1.00 0.00 H new ATOM 0 HA LYS A 68 3.986 33.702 -14.381 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.313 34.376 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.184 33.440 -12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.581 35.338 -14.612 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.137 36.270 -13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.374 36.875 -13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.498 35.603 -12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.178 35.165 -13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.926 33.957 -14.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.825 35.161 -16.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.143 34.967 -16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.856 36.466 -15.717 1.00 0.00 H new ATOM 982 N GLY A 69 4.028 31.728 -11.718 1.00 0.00 N ATOM 983 CA GLY A 69 4.004 30.332 -11.321 1.00 0.00 C ATOM 984 C GLY A 69 2.860 29.568 -11.957 1.00 0.00 C ATOM 985 O GLY A 69 2.966 28.365 -12.196 1.00 0.00 O ATOM 0 H GLY A 69 4.030 32.393 -10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.948 29.863 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.921 30.267 -10.236 1.00 0.00 H new ATOM 989 N TRP A 70 1.764 30.266 -12.230 1.00 0.00 N ATOM 990 CA TRP A 70 0.595 29.644 -12.841 1.00 0.00 C ATOM 991 C TRP A 70 0.894 29.209 -14.271 1.00 0.00 C ATOM 992 O TRP A 70 0.786 28.030 -14.606 1.00 0.00 O ATOM 993 CB TRP A 70 -0.589 30.612 -12.826 1.00 0.00 C ATOM 994 CG TRP A 70 -1.772 30.093 -12.065 1.00 0.00 C ATOM 995 CD1 TRP A 70 -2.967 29.687 -12.586 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.873 29.926 -10.647 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.805 29.278 -11.577 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.157 29.414 -10.378 1.00 0.00 C ATOM 999 CE3 TRP A 70 -1.003 30.158 -9.578 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.590 29.132 -9.085 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.434 29.878 -8.296 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.717 29.368 -8.058 1.00 0.00 C ATOM 0 H TRP A 70 1.660 31.262 -12.038 1.00 0.00 H new ATOM 0 HA TRP A 70 0.339 28.759 -12.259 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.270 31.558 -12.387 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.890 30.822 -13.852 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.217 29.687 -13.637 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.756 28.930 -11.701 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.011 30.549 -9.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.579 28.741 -8.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.770 30.055 -7.463 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.023 29.157 -7.044 1.00 0.00 H new ATOM 1013 N ASP A 71 1.269 30.168 -15.110 1.00 0.00 N ATOM 1014 CA ASP A 71 1.585 29.884 -16.505 1.00 0.00 C ATOM 1015 C ASP A 71 2.641 28.787 -16.610 1.00 0.00 C ATOM 1016 O ASP A 71 2.502 27.854 -17.400 1.00 0.00 O ATOM 1017 CB ASP A 71 2.077 31.150 -17.207 1.00 0.00 C ATOM 1018 CG ASP A 71 2.527 30.885 -18.631 1.00 0.00 C ATOM 1019 OD1 ASP A 71 1.977 29.960 -19.264 1.00 0.00 O ATOM 1020 OD2 ASP A 71 3.431 31.602 -19.111 1.00 0.00 O ATOM 0 H ASP A 71 1.362 31.149 -14.848 1.00 0.00 H new ATOM 0 HA ASP A 71 0.675 29.537 -16.994 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.279 31.892 -17.214 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.905 31.577 -16.641 1.00 0.00 H new ATOM 1025 N GLU A 72 3.695 28.908 -15.809 1.00 0.00 N ATOM 1026 CA GLU A 72 4.774 27.927 -15.814 1.00 0.00 C ATOM 1027 C GLU A 72 4.251 26.541 -15.449 1.00 0.00 C ATOM 1028 O GLU A 72 4.631 25.542 -16.058 1.00 0.00 O ATOM 1029 CB GLU A 72 5.875 28.343 -14.836 1.00 0.00 C ATOM 1030 CG GLU A 72 7.234 27.748 -15.162 1.00 0.00 C ATOM 1031 CD GLU A 72 7.248 26.234 -15.065 1.00 0.00 C ATOM 1032 OE1 GLU A 72 6.701 25.698 -14.079 1.00 0.00 O ATOM 1033 OE2 GLU A 72 7.806 25.587 -15.975 1.00 0.00 O ATOM 0 H GLU A 72 3.825 29.675 -15.149 1.00 0.00 H new ATOM 0 HA GLU A 72 5.189 27.886 -16.821 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.955 29.430 -14.833 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.588 28.041 -13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.525 28.046 -16.169 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.979 28.159 -14.481 1.00 0.00 H new ATOM 1040 N GLY A 73 3.375 26.489 -14.450 1.00 0.00 N ATOM 1041 CA GLY A 73 2.815 25.221 -14.020 1.00 0.00 C ATOM 1042 C GLY A 73 1.957 24.575 -15.088 1.00 0.00 C ATOM 1043 O GLY A 73 2.273 23.490 -15.577 1.00 0.00 O ATOM 0 H GLY A 73 3.043 27.302 -13.931 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.624 24.543 -13.749 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.216 25.377 -13.123 1.00 0.00 H new ATOM 1047 N VAL A 74 0.865 25.240 -15.452 1.00 0.00 N ATOM 1048 CA VAL A 74 -0.042 24.723 -16.469 1.00 0.00 C ATOM 1049 C VAL A 74 0.689 24.477 -17.784 1.00 0.00 C ATOM 1050 O VAL A 74 0.281 23.636 -18.584 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.214 25.691 -16.721 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.226 25.610 -15.588 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.703 27.114 -16.888 1.00 0.00 C ATOM 0 H VAL A 74 0.587 26.139 -15.057 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.434 23.779 -16.092 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.713 25.397 -17.645 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.047 26.300 -15.783 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.615 24.594 -15.520 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.742 25.877 -14.648 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.544 27.784 -17.065 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.179 27.421 -15.983 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.019 27.158 -17.736 1.00 0.00 H new ATOM 1063 N GLN A 75 1.773 25.215 -17.999 1.00 0.00 N ATOM 1064 CA GLN A 75 2.562 25.076 -19.218 1.00 0.00 C ATOM 1065 C GLN A 75 2.989 23.627 -19.427 1.00 0.00 C ATOM 1066 O GLN A 75 3.278 23.211 -20.548 1.00 0.00 O ATOM 1067 CB GLN A 75 3.794 25.980 -19.159 1.00 0.00 C ATOM 1068 CG GLN A 75 3.657 27.250 -19.983 1.00 0.00 C ATOM 1069 CD GLN A 75 4.798 28.222 -19.752 1.00 0.00 C ATOM 1070 OE1 GLN A 75 4.787 28.992 -18.791 1.00 0.00 O ATOM 1071 NE2 GLN A 75 5.790 28.191 -20.634 1.00 0.00 N ATOM 0 H GLN A 75 2.125 25.915 -17.346 1.00 0.00 H new ATOM 0 HA GLN A 75 1.939 25.377 -20.060 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.987 26.250 -18.121 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.662 25.421 -19.510 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.615 26.990 -21.041 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.714 27.738 -19.737 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.757 27.536 -21.415 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.585 28.822 -20.530 1.00 0.00 H new ATOM 1080 N GLY A 76 3.027 22.863 -18.340 1.00 0.00 N ATOM 1081 CA GLY A 76 3.421 21.469 -18.426 1.00 0.00 C ATOM 1082 C GLY A 76 2.338 20.529 -17.936 1.00 0.00 C ATOM 1083 O GLY A 76 2.268 19.376 -18.360 1.00 0.00 O ATOM 0 H GLY A 76 2.792 23.185 -17.401 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.667 21.227 -19.460 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.326 21.314 -17.838 1.00 0.00 H new ATOM 1087 N MET A 77 1.491 21.022 -17.038 1.00 0.00 N ATOM 1088 CA MET A 77 0.406 20.217 -16.489 1.00 0.00 C ATOM 1089 C MET A 77 -0.407 19.568 -17.605 1.00 0.00 C ATOM 1090 O MET A 77 -0.594 20.152 -18.672 1.00 0.00 O ATOM 1091 CB MET A 77 -0.506 21.080 -15.614 1.00 0.00 C ATOM 1092 CG MET A 77 -0.920 20.404 -14.317 1.00 0.00 C ATOM 1093 SD MET A 77 -1.489 21.579 -13.073 1.00 0.00 S ATOM 1094 CE MET A 77 -3.202 21.780 -13.555 1.00 0.00 C ATOM 0 H MET A 77 1.535 21.974 -16.675 1.00 0.00 H new ATOM 0 HA MET A 77 0.845 19.429 -15.877 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.006 22.014 -15.380 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.400 21.340 -16.181 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.714 19.686 -14.523 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.076 19.840 -13.920 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.370 22.806 -13.883 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.433 21.096 -14.371 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.847 21.561 -12.704 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.889 18.356 -17.350 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.683 17.626 -18.332 1.00 0.00 C ATOM 1106 C LYS A 78 -3.097 17.381 -17.814 1.00 0.00 C ATOM 1107 O LYS A 78 -3.327 17.333 -16.606 1.00 0.00 O ATOM 1108 CB LYS A 78 -1.014 16.292 -18.670 1.00 0.00 C ATOM 1109 CG LYS A 78 0.350 16.444 -19.323 1.00 0.00 C ATOM 1110 CD LYS A 78 1.267 15.284 -18.974 1.00 0.00 C ATOM 1111 CE LYS A 78 1.940 15.491 -17.627 1.00 0.00 C ATOM 1112 NZ LYS A 78 3.030 14.503 -17.394 1.00 0.00 N ATOM 0 H LYS A 78 -0.744 17.858 -16.472 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.745 18.233 -19.235 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.907 15.707 -17.757 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.666 15.727 -19.336 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.232 16.503 -20.405 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.807 17.380 -19.001 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.693 14.358 -18.956 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.026 15.174 -19.748 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.348 16.501 -17.576 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.198 15.407 -16.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.464 14.677 -16.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.637 13.540 -17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.751 14.600 -18.137 1.00 0.00 H new ATOM 1126 N VAL A 79 -4.041 17.223 -18.737 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.432 16.979 -18.373 1.00 0.00 C ATOM 1128 C VAL A 79 -5.551 15.798 -17.416 1.00 0.00 C ATOM 1129 O VAL A 79 -5.065 14.705 -17.700 1.00 0.00 O ATOM 1130 CB VAL A 79 -6.298 16.707 -19.617 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.741 16.440 -19.216 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -6.214 17.874 -20.590 1.00 0.00 C ATOM 0 H VAL A 79 -3.868 17.260 -19.742 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.793 17.881 -17.879 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.915 15.818 -20.117 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.337 16.250 -20.108 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.781 15.570 -18.560 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.139 17.308 -18.691 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.832 17.665 -21.463 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.571 18.781 -20.102 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.179 18.013 -20.903 1.00 0.00 H new ATOM 1142 N GLY A 80 -6.202 16.028 -16.280 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.374 14.973 -15.298 1.00 0.00 C ATOM 1144 C GLY A 80 -5.177 14.836 -14.378 1.00 0.00 C ATOM 1145 O GLY A 80 -5.160 13.982 -13.493 1.00 0.00 O ATOM 0 H GLY A 80 -6.613 16.925 -16.022 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.264 15.177 -14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.544 14.027 -15.812 1.00 0.00 H new ATOM 1149 N GLY A 81 -4.171 15.680 -14.589 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.977 15.631 -13.766 1.00 0.00 C ATOM 1151 C GLY A 81 -3.011 16.640 -12.635 1.00 0.00 C ATOM 1152 O GLY A 81 -3.419 17.786 -12.828 1.00 0.00 O ATOM 0 H GLY A 81 -4.162 16.396 -15.315 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.866 14.629 -13.352 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.102 15.817 -14.389 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.583 16.214 -11.451 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.567 17.089 -10.284 1.00 0.00 C ATOM 1158 C VAL A 82 -1.142 17.337 -9.804 1.00 0.00 C ATOM 1159 O VAL A 82 -0.345 16.406 -9.683 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.391 16.495 -9.127 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.546 17.512 -8.005 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.751 16.028 -9.626 1.00 0.00 C ATOM 0 H VAL A 82 -2.243 15.269 -11.274 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.014 18.035 -10.590 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.858 15.630 -8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.131 17.075 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.562 17.793 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.056 18.397 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.320 15.611 -8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.293 16.874 -10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.615 15.264 -10.392 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.827 18.599 -9.530 1.00 0.00 N ATOM 1173 CA ARG A 83 0.503 18.970 -9.063 1.00 0.00 C ATOM 1174 C ARG A 83 0.430 20.148 -8.095 1.00 0.00 C ATOM 1175 O ARG A 83 -0.337 21.088 -8.302 1.00 0.00 O ATOM 1176 CB ARG A 83 1.403 19.326 -10.248 1.00 0.00 C ATOM 1177 CG ARG A 83 2.868 19.481 -9.876 1.00 0.00 C ATOM 1178 CD ARG A 83 3.722 19.798 -11.094 1.00 0.00 C ATOM 1179 NE ARG A 83 3.407 18.929 -12.224 1.00 0.00 N ATOM 1180 CZ ARG A 83 3.887 17.698 -12.361 1.00 0.00 C ATOM 1181 NH1 ARG A 83 4.699 17.193 -11.442 1.00 0.00 N ATOM 1182 NH2 ARG A 83 3.554 16.968 -13.418 1.00 0.00 N ATOM 0 H ARG A 83 -1.475 19.381 -9.623 1.00 0.00 H new ATOM 0 HA ARG A 83 0.927 18.115 -8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.310 18.551 -11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.050 20.256 -10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.975 20.276 -9.138 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.225 18.563 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.570 20.838 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.776 19.690 -10.836 1.00 0.00 H new ATOM 0 HE ARG A 83 2.784 19.287 -12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.956 17.750 -10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.066 16.247 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.929 17.352 -14.127 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.923 16.023 -13.522 1.00 0.00 H new ATOM 1196 N ARG A 84 1.234 20.089 -7.038 1.00 0.00 N ATOM 1197 CA ARG A 84 1.260 21.149 -6.038 1.00 0.00 C ATOM 1198 C ARG A 84 2.250 22.242 -6.428 1.00 0.00 C ATOM 1199 O ARG A 84 3.462 22.076 -6.284 1.00 0.00 O ATOM 1200 CB ARG A 84 1.628 20.578 -4.667 1.00 0.00 C ATOM 1201 CG ARG A 84 0.722 21.056 -3.544 1.00 0.00 C ATOM 1202 CD ARG A 84 0.887 20.205 -2.295 1.00 0.00 C ATOM 1203 NE ARG A 84 -0.128 20.505 -1.290 1.00 0.00 N ATOM 1204 CZ ARG A 84 -0.189 19.909 -0.104 1.00 0.00 C ATOM 1205 NH1 ARG A 84 0.704 18.985 0.222 1.00 0.00 N ATOM 1206 NH2 ARG A 84 -1.143 20.237 0.757 1.00 0.00 N ATOM 0 H ARG A 84 1.876 19.318 -6.852 1.00 0.00 H new ATOM 0 HA ARG A 84 0.264 21.588 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.590 19.490 -4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.657 20.851 -4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.949 22.096 -3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.316 21.023 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.829 19.150 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.877 20.372 -1.871 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.830 21.212 -1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.439 18.731 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.656 18.528 1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.831 20.948 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.188 19.778 1.667 1.00 0.00 H new ATOM 1220 N LEU A 85 1.727 23.358 -6.925 1.00 0.00 N ATOM 1221 CA LEU A 85 2.566 24.478 -7.337 1.00 0.00 C ATOM 1222 C LEU A 85 2.834 25.418 -6.166 1.00 0.00 C ATOM 1223 O LEU A 85 1.915 26.042 -5.633 1.00 0.00 O ATOM 1224 CB LEU A 85 1.898 25.246 -8.480 1.00 0.00 C ATOM 1225 CG LEU A 85 2.696 26.415 -9.058 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.571 25.947 -10.210 1.00 0.00 C ATOM 1227 CD2 LEU A 85 1.760 27.525 -9.514 1.00 0.00 C ATOM 0 H LEU A 85 0.727 23.511 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 85 3.519 24.079 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.684 24.544 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.940 25.626 -8.125 1.00 0.00 H new ATOM 0 HG LEU A 85 3.343 26.810 -8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.131 26.793 -10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.266 25.187 -9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.944 25.525 -10.995 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.345 28.349 -9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.088 27.142 -10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.176 27.880 -8.665 1.00 0.00 H new ATOM 1239 N THR A 86 4.099 25.516 -5.770 1.00 0.00 N ATOM 1240 CA THR A 86 4.489 26.380 -4.663 1.00 0.00 C ATOM 1241 C THR A 86 5.109 27.677 -5.170 1.00 0.00 C ATOM 1242 O THR A 86 6.123 27.660 -5.868 1.00 0.00 O ATOM 1243 CB THR A 86 5.490 25.677 -3.727 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.407 24.258 -3.898 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.215 26.035 -2.274 1.00 0.00 C ATOM 0 H THR A 86 4.871 25.007 -6.200 1.00 0.00 H new ATOM 0 HA THR A 86 3.581 26.608 -4.105 1.00 0.00 H new ATOM 0 HB THR A 86 6.494 26.015 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.048 23.818 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.934 25.527 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.308 27.113 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.206 25.722 -2.007 1.00 0.00 H new ATOM 1253 N ILE A 87 4.494 28.800 -4.814 1.00 0.00 N ATOM 1254 CA ILE A 87 4.988 30.106 -5.232 1.00 0.00 C ATOM 1255 C ILE A 87 5.424 30.939 -4.031 1.00 0.00 C ATOM 1256 O ILE A 87 4.716 31.049 -3.030 1.00 0.00 O ATOM 1257 CB ILE A 87 3.920 30.885 -6.022 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.399 30.041 -7.187 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.492 32.201 -6.529 1.00 0.00 C ATOM 1260 CD1 ILE A 87 2.226 29.160 -6.817 1.00 0.00 C ATOM 0 H ILE A 87 3.653 28.832 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 87 5.847 29.926 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 87 3.086 31.106 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.103 30.703 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.209 29.415 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.726 32.740 -7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.819 32.805 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.341 32.001 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.909 28.590 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.523 28.473 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.400 29.781 -6.469 1.00 0.00 H new ATOM 1272 N PRO A 88 6.618 31.542 -4.132 1.00 0.00 N ATOM 1273 CA PRO A 88 7.175 32.378 -3.064 1.00 0.00 C ATOM 1274 C PRO A 88 6.416 33.691 -2.900 1.00 0.00 C ATOM 1275 O PRO A 88 5.556 34.043 -3.707 1.00 0.00 O ATOM 1276 CB PRO A 88 8.608 32.644 -3.532 1.00 0.00 C ATOM 1277 CG PRO A 88 8.553 32.507 -5.015 1.00 0.00 C ATOM 1278 CD PRO A 88 7.516 31.455 -5.296 1.00 0.00 C ATOM 0 HA PRO A 88 7.113 31.890 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.942 33.639 -3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.306 31.931 -3.094 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.286 33.454 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.524 32.215 -5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.986 31.652 -6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.962 30.465 -5.386 1.00 0.00 H new ATOM 1286 N PRO A 89 6.740 34.433 -1.830 1.00 0.00 N ATOM 1287 CA PRO A 89 6.101 35.719 -1.536 1.00 0.00 C ATOM 1288 C PRO A 89 6.496 36.804 -2.532 1.00 0.00 C ATOM 1289 O PRO A 89 5.975 37.918 -2.487 1.00 0.00 O ATOM 1290 CB PRO A 89 6.620 36.061 -0.137 1.00 0.00 C ATOM 1291 CG PRO A 89 7.918 35.337 -0.028 1.00 0.00 C ATOM 1292 CD PRO A 89 7.756 34.074 -0.827 1.00 0.00 C ATOM 0 HA PRO A 89 5.015 35.658 -1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.755 37.136 -0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.921 35.739 0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.736 35.943 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.154 35.113 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.693 33.771 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.428 33.243 -0.203 1.00 0.00 H new ATOM 1300 N GLN A 90 7.419 36.470 -3.428 1.00 0.00 N ATOM 1301 CA GLN A 90 7.883 37.418 -4.434 1.00 0.00 C ATOM 1302 C GLN A 90 7.143 37.218 -5.753 1.00 0.00 C ATOM 1303 O GLN A 90 6.674 38.178 -6.366 1.00 0.00 O ATOM 1304 CB GLN A 90 9.389 37.265 -4.653 1.00 0.00 C ATOM 1305 CG GLN A 90 10.230 37.886 -3.550 1.00 0.00 C ATOM 1306 CD GLN A 90 9.961 39.368 -3.375 1.00 0.00 C ATOM 1307 OE1 GLN A 90 10.048 40.143 -4.327 1.00 0.00 O ATOM 1308 NE2 GLN A 90 9.632 39.769 -2.152 1.00 0.00 N ATOM 0 H GLN A 90 7.860 35.551 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 90 7.676 38.425 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.631 36.205 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.658 37.723 -5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.028 37.371 -2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.286 37.736 -3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.572 39.091 -1.392 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.440 40.755 -1.973 1.00 0.00 H new ATOM 1317 N LEU A 91 7.042 35.966 -6.185 1.00 0.00 N ATOM 1318 CA LEU A 91 6.359 35.640 -7.432 1.00 0.00 C ATOM 1319 C LEU A 91 4.889 35.320 -7.180 1.00 0.00 C ATOM 1320 O LEU A 91 4.211 34.750 -8.034 1.00 0.00 O ATOM 1321 CB LEU A 91 7.041 34.453 -8.115 1.00 0.00 C ATOM 1322 CG LEU A 91 8.570 34.469 -8.118 1.00 0.00 C ATOM 1323 CD1 LEU A 91 9.114 33.318 -8.951 1.00 0.00 C ATOM 1324 CD2 LEU A 91 9.088 35.800 -8.642 1.00 0.00 C ATOM 0 H LEU A 91 7.424 35.160 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 91 6.416 36.510 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.708 33.538 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.696 34.406 -9.148 1.00 0.00 H new ATOM 0 HG LEU A 91 8.918 34.345 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.204 33.345 -8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.771 32.372 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.757 33.411 -9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.178 35.794 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.731 35.954 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.727 36.607 -8.005 1.00 0.00 H new ATOM 1336 N GLY A 92 4.401 35.692 -6.000 1.00 0.00 N ATOM 1337 CA GLY A 92 3.014 35.438 -5.657 1.00 0.00 C ATOM 1338 C GLY A 92 2.205 36.714 -5.533 1.00 0.00 C ATOM 1339 O GLY A 92 1.733 37.258 -6.532 1.00 0.00 O ATOM 0 H GLY A 92 4.942 36.165 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.566 34.800 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.970 34.890 -4.716 1.00 0.00 H new ATOM 1343 N TYR A 93 2.041 37.191 -4.304 1.00 0.00 N ATOM 1344 CA TYR A 93 1.279 38.408 -4.052 1.00 0.00 C ATOM 1345 C TYR A 93 2.209 39.602 -3.856 1.00 0.00 C ATOM 1346 O TYR A 93 1.829 40.746 -4.101 1.00 0.00 O ATOM 1347 CB TYR A 93 0.390 38.233 -2.820 1.00 0.00 C ATOM 1348 CG TYR A 93 -0.646 37.142 -2.972 1.00 0.00 C ATOM 1349 CD1 TYR A 93 -1.446 37.070 -4.106 1.00 0.00 C ATOM 1350 CD2 TYR A 93 -0.825 36.184 -1.982 1.00 0.00 C ATOM 1351 CE1 TYR A 93 -2.395 36.076 -4.248 1.00 0.00 C ATOM 1352 CE2 TYR A 93 -1.771 35.186 -2.116 1.00 0.00 C ATOM 1353 CZ TYR A 93 -2.553 35.136 -3.251 1.00 0.00 C ATOM 1354 OH TYR A 93 -3.496 34.143 -3.390 1.00 0.00 O ATOM 0 H TYR A 93 2.426 36.753 -3.467 1.00 0.00 H new ATOM 0 HA TYR A 93 0.650 38.599 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.018 38.009 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.115 39.176 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.324 37.803 -4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.214 36.220 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.010 36.035 -5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.897 34.449 -1.336 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.297 33.612 -4.189 1.00 0.00 H new ATOM 1364 N GLY A 94 3.431 39.325 -3.412 1.00 0.00 N ATOM 1365 CA GLY A 94 4.398 40.385 -3.191 1.00 0.00 C ATOM 1366 C GLY A 94 4.793 40.514 -1.734 1.00 0.00 C ATOM 1367 O GLY A 94 4.367 39.720 -0.895 1.00 0.00 O ATOM 0 H GLY A 94 3.769 38.386 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.288 40.191 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.981 41.331 -3.536 1.00 0.00 H new ATOM 1371 N ALA A 95 5.612 41.517 -1.431 1.00 0.00 N ATOM 1372 CA ALA A 95 6.064 41.747 -0.064 1.00 0.00 C ATOM 1373 C ALA A 95 4.924 42.247 0.815 1.00 0.00 C ATOM 1374 O ALA A 95 4.966 42.114 2.038 1.00 0.00 O ATOM 1375 CB ALA A 95 7.218 42.739 -0.051 1.00 0.00 C ATOM 0 H ALA A 95 5.975 42.182 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 95 6.410 40.797 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 95 7.546 42.902 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.046 42.342 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.889 43.685 -0.481 1.00 0.00 H new ATOM 1381 N ARG A 96 3.906 42.824 0.185 1.00 0.00 N ATOM 1382 CA ARG A 96 2.754 43.346 0.910 1.00 0.00 C ATOM 1383 C ARG A 96 1.748 42.237 1.203 1.00 0.00 C ATOM 1384 O ARG A 96 0.996 42.308 2.175 1.00 0.00 O ATOM 1385 CB ARG A 96 2.081 44.461 0.108 1.00 0.00 C ATOM 1386 CG ARG A 96 2.683 45.836 0.353 1.00 0.00 C ATOM 1387 CD ARG A 96 1.694 46.943 0.023 1.00 0.00 C ATOM 1388 NE ARG A 96 2.341 48.250 -0.053 1.00 0.00 N ATOM 1389 CZ ARG A 96 2.770 48.920 1.011 1.00 0.00 C ATOM 1390 NH1 ARG A 96 2.621 48.409 2.225 1.00 0.00 N ATOM 1391 NH2 ARG A 96 3.350 50.105 0.861 1.00 0.00 N ATOM 0 H ARG A 96 3.856 42.942 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 96 3.107 43.753 1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.152 44.227 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.021 44.488 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.990 45.920 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.580 45.955 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.208 46.723 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.912 46.969 0.782 1.00 0.00 H new ATOM 0 HE ARG A 96 2.471 48.671 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.176 47.499 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.951 48.926 3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.466 50.501 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.679 50.619 1.678 1.00 0.00 H new ATOM 1405 N GLY A 97 1.739 41.214 0.355 1.00 0.00 N ATOM 1406 CA GLY A 97 0.820 40.105 0.539 1.00 0.00 C ATOM 1407 C GLY A 97 -0.566 40.406 0.006 1.00 0.00 C ATOM 1408 O GLY A 97 -0.896 41.559 -0.270 1.00 0.00 O ATOM 0 H GLY A 97 2.352 41.133 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.215 39.222 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.754 39.865 1.600 1.00 0.00 H new ATOM 1412 N ALA A 98 -1.381 39.366 -0.141 1.00 0.00 N ATOM 1413 CA ALA A 98 -2.739 39.525 -0.644 1.00 0.00 C ATOM 1414 C ALA A 98 -3.687 39.970 0.464 1.00 0.00 C ATOM 1415 O ALA A 98 -3.802 39.312 1.497 1.00 0.00 O ATOM 1416 CB ALA A 98 -3.227 38.225 -1.267 1.00 0.00 C ATOM 0 H ALA A 98 -1.124 38.404 0.081 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.727 40.301 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.243 38.358 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.572 37.949 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.216 37.435 -0.516 1.00 0.00 H new ATOM 1422 N GLY A 99 -4.363 41.094 0.243 1.00 0.00 N ATOM 1423 CA GLY A 99 -5.291 41.608 1.233 1.00 0.00 C ATOM 1424 C GLY A 99 -4.666 41.723 2.609 1.00 0.00 C ATOM 1425 O GLY A 99 -3.718 42.482 2.806 1.00 0.00 O ATOM 0 H GLY A 99 -4.284 41.657 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.649 42.588 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.161 40.953 1.286 1.00 0.00 H new ATOM 1429 N GLY A 100 -5.200 40.969 3.565 1.00 0.00 N ATOM 1430 CA GLY A 100 -4.676 41.006 4.918 1.00 0.00 C ATOM 1431 C GLY A 100 -4.623 39.633 5.557 1.00 0.00 C ATOM 1432 O GLY A 100 -4.535 39.512 6.779 1.00 0.00 O ATOM 0 H GLY A 100 -5.986 40.333 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.675 41.436 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.297 41.663 5.527 1.00 0.00 H new ATOM 1436 N VAL A 101 -4.679 38.594 4.730 1.00 0.00 N ATOM 1437 CA VAL A 101 -4.638 37.222 5.221 1.00 0.00 C ATOM 1438 C VAL A 101 -3.260 36.604 5.011 1.00 0.00 C ATOM 1439 O VAL A 101 -2.799 35.800 5.822 1.00 0.00 O ATOM 1440 CB VAL A 101 -5.694 36.344 4.524 1.00 0.00 C ATOM 1441 CG1 VAL A 101 -5.608 34.909 5.021 1.00 0.00 C ATOM 1442 CG2 VAL A 101 -7.088 36.912 4.745 1.00 0.00 C ATOM 0 H VAL A 101 -4.753 38.677 3.716 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.857 37.261 6.288 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.492 36.344 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.362 34.304 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.617 34.508 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.783 34.885 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.822 36.279 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.303 36.944 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.139 37.920 4.335 1.00 0.00 H new ATOM 1452 N ILE A 102 -2.607 36.986 3.919 1.00 0.00 N ATOM 1453 CA ILE A 102 -1.281 36.470 3.603 1.00 0.00 C ATOM 1454 C ILE A 102 -0.191 37.399 4.127 1.00 0.00 C ATOM 1455 O ILE A 102 -0.237 38.616 3.944 1.00 0.00 O ATOM 1456 CB ILE A 102 -1.096 36.285 2.085 1.00 0.00 C ATOM 1457 CG1 ILE A 102 -2.188 35.372 1.524 1.00 0.00 C ATOM 1458 CG2 ILE A 102 0.283 35.716 1.786 1.00 0.00 C ATOM 1459 CD1 ILE A 102 -2.123 33.956 2.053 1.00 0.00 C ATOM 0 H ILE A 102 -2.974 37.651 3.238 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.195 35.500 4.092 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.179 37.258 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.163 35.796 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.108 35.349 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.399 35.591 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.047 36.400 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.392 34.749 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.927 33.366 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.162 33.513 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.233 33.967 3.137 1.00 0.00 H new ATOM 1471 N PRO A 103 0.816 36.814 4.793 1.00 0.00 N ATOM 1472 CA PRO A 103 1.938 37.571 5.355 1.00 0.00 C ATOM 1473 C PRO A 103 2.853 38.139 4.275 1.00 0.00 C ATOM 1474 O PRO A 103 2.767 37.778 3.101 1.00 0.00 O ATOM 1475 CB PRO A 103 2.684 36.529 6.193 1.00 0.00 C ATOM 1476 CG PRO A 103 2.339 35.222 5.567 1.00 0.00 C ATOM 1477 CD PRO A 103 0.936 35.369 5.047 1.00 0.00 C ATOM 0 HA PRO A 103 1.601 38.436 5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.760 36.704 6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.371 36.563 7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.031 34.981 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.403 34.412 6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.781 34.787 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.200 35.026 5.774 1.00 0.00 H new ATOM 1485 N PRO A 104 3.751 39.050 4.679 1.00 0.00 N ATOM 1486 CA PRO A 104 4.700 39.687 3.761 1.00 0.00 C ATOM 1487 C PRO A 104 5.764 38.715 3.261 1.00 0.00 C ATOM 1488 O PRO A 104 6.030 38.635 2.062 1.00 0.00 O ATOM 1489 CB PRO A 104 5.338 40.785 4.615 1.00 0.00 C ATOM 1490 CG PRO A 104 5.198 40.303 6.018 1.00 0.00 C ATOM 1491 CD PRO A 104 3.910 39.528 6.063 1.00 0.00 C ATOM 0 HA PRO A 104 4.209 40.059 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.385 40.934 4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.834 41.741 4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.042 39.674 6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.175 41.139 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.963 38.700 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.074 40.156 6.370 1.00 0.00 H new ATOM 1499 N ASN A 105 6.369 37.979 4.187 1.00 0.00 N ATOM 1500 CA ASN A 105 7.404 37.012 3.840 1.00 0.00 C ATOM 1501 C ASN A 105 6.977 35.597 4.220 1.00 0.00 C ATOM 1502 O ASN A 105 6.956 35.240 5.398 1.00 0.00 O ATOM 1503 CB ASN A 105 8.717 37.366 4.540 1.00 0.00 C ATOM 1504 CG ASN A 105 9.474 38.470 3.826 1.00 0.00 C ATOM 1505 OD1 ASN A 105 8.907 39.510 3.491 1.00 0.00 O ATOM 1506 ND2 ASN A 105 10.761 38.247 3.589 1.00 0.00 N ATOM 0 H ASN A 105 6.160 38.034 5.184 1.00 0.00 H new ATOM 0 HA ASN A 105 7.554 37.049 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.508 37.676 5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.345 36.477 4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.321 38.953 3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.190 37.370 3.885 1.00 0.00 H new ATOM 1513 N ALA A 106 6.639 34.797 3.215 1.00 0.00 N ATOM 1514 CA ALA A 106 6.216 33.421 3.443 1.00 0.00 C ATOM 1515 C ALA A 106 5.927 32.709 2.126 1.00 0.00 C ATOM 1516 O ALA A 106 5.540 33.338 1.140 1.00 0.00 O ATOM 1517 CB ALA A 106 4.989 33.388 4.343 1.00 0.00 C ATOM 0 H ALA A 106 6.650 35.078 2.235 1.00 0.00 H new ATOM 0 HA ALA A 106 7.032 32.894 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.684 32.354 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.228 33.850 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.175 33.936 3.869 1.00 0.00 H new ATOM 1523 N THR A 107 6.117 31.394 2.115 1.00 0.00 N ATOM 1524 CA THR A 107 5.878 30.597 0.918 1.00 0.00 C ATOM 1525 C THR A 107 4.414 30.188 0.813 1.00 0.00 C ATOM 1526 O THR A 107 3.842 29.641 1.757 1.00 0.00 O ATOM 1527 CB THR A 107 6.756 29.331 0.902 1.00 0.00 C ATOM 1528 OG1 THR A 107 8.140 29.695 0.867 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.425 28.459 -0.300 1.00 0.00 C ATOM 0 H THR A 107 6.436 30.858 2.922 1.00 0.00 H new ATOM 0 HA THR A 107 6.139 31.222 0.064 1.00 0.00 H new ATOM 0 HB THR A 107 6.553 28.763 1.810 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.691 28.885 0.859 1.00 0.00 H new ATOM 0 HG21 THR A 107 7.057 27.571 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.378 28.160 -0.255 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.602 29.021 -1.217 1.00 0.00 H new ATOM 1537 N LEU A 108 3.811 30.454 -0.341 1.00 0.00 N ATOM 1538 CA LEU A 108 2.412 30.113 -0.570 1.00 0.00 C ATOM 1539 C LEU A 108 2.289 28.785 -1.310 1.00 0.00 C ATOM 1540 O LEU A 108 2.901 28.589 -2.360 1.00 0.00 O ATOM 1541 CB LEU A 108 1.720 31.220 -1.367 1.00 0.00 C ATOM 1542 CG LEU A 108 1.772 32.620 -0.755 1.00 0.00 C ATOM 1543 CD1 LEU A 108 1.380 33.668 -1.785 1.00 0.00 C ATOM 1544 CD2 LEU A 108 0.865 32.704 0.464 1.00 0.00 C ATOM 0 H LEU A 108 4.270 30.905 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 108 1.925 30.014 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.170 31.262 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.675 30.943 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 108 2.795 32.818 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.423 34.658 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.069 33.625 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.366 33.473 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.915 33.708 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.161 32.485 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.191 31.980 1.211 1.00 0.00 H new ATOM 1556 N VAL A 109 1.493 27.876 -0.757 1.00 0.00 N ATOM 1557 CA VAL A 109 1.287 26.567 -1.366 1.00 0.00 C ATOM 1558 C VAL A 109 -0.033 26.517 -2.127 1.00 0.00 C ATOM 1559 O VAL A 109 -1.108 26.574 -1.530 1.00 0.00 O ATOM 1560 CB VAL A 109 1.301 25.447 -0.309 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.991 24.103 -0.950 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.642 25.408 0.408 1.00 0.00 C ATOM 0 H VAL A 109 0.980 28.022 0.112 1.00 0.00 H new ATOM 0 HA VAL A 109 2.111 26.409 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 109 0.526 25.658 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.005 23.324 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.005 24.139 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.740 23.881 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.634 24.611 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.436 25.222 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.818 26.363 0.902 1.00 0.00 H new ATOM 1572 N PHE A 110 0.056 26.409 -3.448 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.132 26.352 -4.292 1.00 0.00 C ATOM 1574 C PHE A 110 -1.204 25.023 -5.040 1.00 0.00 C ATOM 1575 O PHE A 110 -0.218 24.573 -5.621 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.132 27.512 -5.290 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.440 28.841 -4.663 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -2.751 29.251 -4.483 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.417 29.683 -4.254 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.038 30.473 -3.906 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -0.698 30.906 -3.676 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.010 31.303 -3.503 1.00 0.00 C ATOM 0 H PHE A 110 0.938 26.359 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.008 26.436 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.157 27.565 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.865 27.309 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.559 28.607 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.611 29.379 -4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.065 30.779 -3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.108 31.552 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.231 32.260 -3.054 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.379 24.402 -5.019 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.580 23.125 -5.693 1.00 0.00 C ATOM 1594 C GLU A 111 -3.374 23.309 -6.983 1.00 0.00 C ATOM 1595 O GLU A 111 -4.479 23.852 -6.973 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.306 22.144 -4.770 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.781 20.884 -5.474 1.00 0.00 C ATOM 1598 CD GLU A 111 -5.226 20.975 -5.922 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -5.469 21.449 -7.052 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -6.115 20.572 -5.143 1.00 0.00 O ATOM 0 H GLU A 111 -3.206 24.762 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.600 22.719 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.639 21.865 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.164 22.646 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.147 20.696 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.665 20.032 -4.804 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.802 22.855 -8.093 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.455 22.968 -9.392 1.00 0.00 C ATOM 1609 C VAL A 112 -3.741 21.594 -9.986 1.00 0.00 C ATOM 1610 O VAL A 112 -2.860 20.737 -10.043 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.597 23.776 -10.384 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -3.439 24.245 -11.560 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -1.942 24.956 -9.682 1.00 0.00 C ATOM 0 H VAL A 112 -1.887 22.405 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.397 23.492 -9.227 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.809 23.128 -10.768 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.816 24.814 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.856 23.381 -12.077 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.250 24.877 -11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.340 25.516 -10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.712 25.607 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.304 24.592 -8.877 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.978 21.391 -10.427 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.380 20.119 -11.017 1.00 0.00 C ATOM 1625 C GLU A 113 -6.097 20.338 -12.346 1.00 0.00 C ATOM 1626 O GLU A 113 -7.145 20.983 -12.400 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.288 19.350 -10.055 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.033 18.200 -10.711 1.00 0.00 C ATOM 1629 CD GLU A 113 -7.757 17.325 -9.706 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -7.962 17.780 -8.561 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -8.119 16.185 -10.065 1.00 0.00 O ATOM 0 H GLU A 113 -5.719 22.091 -10.387 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.480 19.533 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.686 18.961 -9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.011 20.040 -9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.753 18.599 -11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.328 17.591 -11.276 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.525 19.796 -13.416 1.00 0.00 N ATOM 1639 CA LEU A 114 -6.109 19.932 -14.746 1.00 0.00 C ATOM 1640 C LEU A 114 -7.410 19.142 -14.853 1.00 0.00 C ATOM 1641 O LEU A 114 -7.445 17.942 -14.578 1.00 0.00 O ATOM 1642 CB LEU A 114 -5.120 19.453 -15.810 1.00 0.00 C ATOM 1643 CG LEU A 114 -5.121 20.230 -17.126 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -6.542 20.401 -17.643 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -4.450 21.583 -16.948 1.00 0.00 C ATOM 0 H LEU A 114 -4.658 19.259 -13.389 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.331 20.986 -14.912 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.116 19.494 -15.388 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.332 18.406 -16.029 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.554 19.661 -17.862 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.524 20.956 -18.581 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.989 19.421 -17.810 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.133 20.948 -16.909 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.460 22.122 -17.896 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.989 22.160 -16.197 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.419 21.438 -16.624 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.477 19.823 -15.256 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.781 19.185 -15.401 1.00 0.00 C ATOM 1659 C LEU A 115 -10.094 18.914 -16.870 1.00 0.00 C ATOM 1660 O LEU A 115 -10.384 17.781 -17.255 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.872 20.064 -14.789 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.975 20.043 -13.264 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -11.230 21.443 -12.726 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -12.073 19.089 -12.816 1.00 0.00 C ATOM 0 H LEU A 115 -8.465 20.816 -15.488 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.753 18.232 -14.873 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.703 21.093 -15.107 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.833 19.756 -15.202 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.027 19.688 -12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.300 21.408 -11.639 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.409 22.099 -13.015 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.164 21.827 -13.138 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.132 19.087 -11.728 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -13.028 19.413 -13.230 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.847 18.083 -13.169 1.00 0.00 H new ATOM 1676 N ASP A 116 -10.031 19.961 -17.685 1.00 0.00 N ATOM 1677 CA ASP A 116 -10.304 19.837 -19.112 1.00 0.00 C ATOM 1678 C ASP A 116 -9.655 20.976 -19.891 1.00 0.00 C ATOM 1679 O ASP A 116 -9.271 21.995 -19.317 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.812 19.823 -19.365 1.00 0.00 C ATOM 1681 CG ASP A 116 -12.447 18.493 -19.011 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -12.166 17.496 -19.710 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -13.224 18.448 -18.034 1.00 0.00 O ATOM 0 H ASP A 116 -9.793 20.905 -17.382 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.877 18.896 -19.458 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.283 20.614 -18.781 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.003 20.045 -20.415 1.00 0.00 H new ATOM 1688 N VAL A 117 -9.535 20.797 -21.203 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.932 21.810 -22.061 1.00 0.00 C ATOM 1690 C VAL A 117 -9.921 22.295 -23.116 1.00 0.00 C ATOM 1691 O VAL A 117 -10.791 21.528 -23.524 1.00 0.00 O ATOM 1692 CB VAL A 117 -7.671 21.272 -22.764 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -7.094 22.322 -23.701 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.637 20.834 -21.738 1.00 0.00 C ATOM 0 H VAL A 117 -9.848 19.960 -21.695 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.652 22.644 -21.418 1.00 0.00 H new ATOM 0 HB VAL A 117 -7.949 20.403 -23.359 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.204 21.925 -24.189 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.836 22.583 -24.456 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.828 23.212 -23.131 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.752 20.457 -22.251 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.360 21.684 -21.115 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.057 20.047 -21.112 1.00 0.00 H new TER 1704 VAL A 117 HETATM 1705 C1 L2S A 130 -5.173 32.315 -10.011 1.00 0.00 C HETATM 1706 N1 L2S A 130 -5.783 34.044 -7.768 1.00 0.00 N HETATM 1707 O1 L2S A 130 -5.304 35.844 -6.447 1.00 0.00 O HETATM 1708 S1 L2S A 130 -7.907 36.737 -5.649 1.00 0.00 S HETATM 1709 C2 L2S A 130 -4.414 33.626 -9.833 1.00 0.00 C HETATM 1710 C3 L2S A 130 -4.408 34.037 -8.348 1.00 0.00 C HETATM 1711 C4 L2S A 130 -6.642 32.857 -8.040 1.00 0.00 C HETATM 1712 C5 L2S A 130 -6.621 32.453 -9.523 1.00 0.00 C HETATM 1713 C6 L2S A 130 -6.105 34.998 -6.855 1.00 0.00 C HETATM 1714 C7 L2S A 130 -7.543 35.059 -6.320 1.00 0.00 C HETATM 1715 C8 L2S A 130 -7.576 36.615 -3.928 1.00 0.00 C HETATM 1716 C9 L2S A 130 -6.551 35.723 -3.537 1.00 0.00 C HETATM 1717 C10 L2S A 130 -6.360 35.429 -2.174 1.00 0.00 C HETATM 1718 C11 L2S A 130 -7.203 36.046 -1.214 1.00 0.00 C HETATM 1719 C12 L2S A 130 -8.225 36.935 -1.596 1.00 0.00 C HETATM 1720 C13 L2S A 130 -8.415 37.230 -2.960 1.00 0.00 C HETATM 1721 C14 L2S A 130 -7.016 35.755 0.141 1.00 0.00 C HETATM 0 H314 L2S A 130 -7.152 34.686 0.306 1.00 0.00 H new HETATM 0 H214 L2S A 130 -6.008 36.042 0.439 1.00 0.00 H new HETATM 0 H114 L2S A 130 -7.742 36.309 0.736 1.00 0.00 H new HETATM 0 H113 L2S A 130 -9.197 37.923 -3.270 1.00 0.00 H new HETATM 0 H112 L2S A 130 -8.865 37.392 -0.841 1.00 0.00 H new HETATM 0 H9 L2S A 130 -5.910 35.264 -4.290 1.00 0.00 H new HETATM 0 H27 L2S A 130 -7.680 34.311 -5.539 1.00 0.00 H new HETATM 0 H25 L2S A 130 -7.144 33.201 -10.119 1.00 0.00 H new HETATM 0 H24 L2S A 130 -6.303 32.018 -7.432 1.00 0.00 H new HETATM 0 H23 L2S A 130 -3.966 35.028 -8.247 1.00 0.00 H new HETATM 0 H22 L2S A 130 -3.391 33.514 -10.192 1.00 0.00 H new HETATM 0 H21 L2S A 130 -5.165 32.025 -11.062 1.00 0.00 H new HETATM 0 H17 L2S A 130 -8.245 34.819 -7.118 1.00 0.00 H new HETATM 0 H15 L2S A 130 -7.150 31.510 -9.659 1.00 0.00 H new HETATM 0 H14 L2S A 130 -7.667 33.075 -7.739 1.00 0.00 H new HETATM 0 H13 L2S A 130 -3.779 33.349 -7.783 1.00 0.00 H new HETATM 0 H12 L2S A 130 -4.878 34.408 -10.433 1.00 0.00 H new HETATM 0 H11 L2S A 130 -4.672 31.521 -9.457 1.00 0.00 H new HETATM 0 H10 L2S A 130 -5.577 34.738 -1.861 1.00 0.00 H new