USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 LYS NZ :NH3+ -177:sc= -0.678 (180deg=-0.707) USER MOD Set 1.2: A 45 SER OG : rot -81:sc= -0.474 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0 (180deg=-0.00656) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 94:sc= 1.15 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 177:sc= -1.97 (180deg=-2.13) USER MOD Single : A 18 CYS SG : rot -89:sc= -1.55 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.61 K(o=-2.6,f=-3.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.3) USER MOD Single : A 55 THR OG1 : rot 110:sc= -5.11! USER MOD Single : A 56 MET CE :methyl -131:sc= -8.06! (180deg=-9.18!) USER MOD Single : A 57 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.6!) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 1.27 (180deg=1.07) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.947 8.725 13.274 1.00 0.00 N ATOM 2 CA MET A 1 11.196 8.409 14.016 1.00 0.00 C ATOM 3 C MET A 1 12.401 8.376 13.082 1.00 0.00 C ATOM 4 O MET A 1 13.379 9.094 13.287 1.00 0.00 O ATOM 5 CB MET A 1 11.025 7.054 14.705 1.00 0.00 C ATOM 6 CG MET A 1 10.173 7.114 15.962 1.00 0.00 C ATOM 7 SD MET A 1 9.195 5.620 16.210 1.00 0.00 S ATOM 8 CE MET A 1 9.496 5.302 17.946 1.00 0.00 C ATOM 0 H1 MET A 1 9.493 9.559 13.698 1.00 0.00 H new ATOM 0 H2 MET A 1 10.175 8.924 12.279 1.00 0.00 H new ATOM 0 H3 MET A 1 9.298 7.914 13.325 1.00 0.00 H new ATOM 0 HA MET A 1 11.377 9.188 14.757 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.573 6.353 14.003 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.008 6.659 14.961 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.818 7.269 16.827 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.506 7.974 15.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.956 4.405 18.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.564 5.156 18.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.152 6.151 18.536 1.00 0.00 H new ATOM 20 N SER A 2 12.323 7.537 12.054 1.00 0.00 N ATOM 21 CA SER A 2 13.408 7.409 11.088 1.00 0.00 C ATOM 22 C SER A 2 13.256 8.423 9.959 1.00 0.00 C ATOM 23 O SER A 2 14.245 8.890 9.395 1.00 0.00 O ATOM 24 CB SER A 2 13.443 5.991 10.514 1.00 0.00 C ATOM 25 OG SER A 2 14.547 5.822 9.642 1.00 0.00 O ATOM 0 H SER A 2 11.520 6.936 11.869 1.00 0.00 H new ATOM 0 HA SER A 2 14.346 7.608 11.606 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.503 5.267 11.327 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.516 5.790 9.976 1.00 0.00 H new ATOM 0 HG SER A 2 14.548 4.908 9.289 1.00 0.00 H new ATOM 31 N GLU A 3 12.012 8.756 9.631 1.00 0.00 N ATOM 32 CA GLU A 3 11.733 9.712 8.565 1.00 0.00 C ATOM 33 C GLU A 3 10.600 10.653 8.962 1.00 0.00 C ATOM 34 O GLU A 3 9.698 10.271 9.707 1.00 0.00 O ATOM 35 CB GLU A 3 11.371 8.969 7.277 1.00 0.00 C ATOM 36 CG GLU A 3 11.455 9.832 6.029 1.00 0.00 C ATOM 37 CD GLU A 3 12.488 9.331 5.038 1.00 0.00 C ATOM 38 OE1 GLU A 3 12.211 8.328 4.347 1.00 0.00 O ATOM 39 OE2 GLU A 3 13.574 9.942 4.952 1.00 0.00 O ATOM 0 H GLU A 3 11.182 8.379 10.087 1.00 0.00 H new ATOM 0 HA GLU A 3 12.630 10.308 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.037 8.114 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.359 8.575 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.478 9.861 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.699 10.855 6.316 1.00 0.00 H new ATOM 46 N LYS A 4 10.648 11.887 8.456 1.00 0.00 N ATOM 47 CA LYS A 4 9.617 12.880 8.755 1.00 0.00 C ATOM 48 C LYS A 4 8.222 12.273 8.609 1.00 0.00 C ATOM 49 O LYS A 4 7.442 12.259 9.562 1.00 0.00 O ATOM 50 CB LYS A 4 9.764 14.094 7.834 1.00 0.00 C ATOM 51 CG LYS A 4 10.845 15.066 8.281 1.00 0.00 C ATOM 52 CD LYS A 4 10.972 16.240 7.324 1.00 0.00 C ATOM 53 CE LYS A 4 12.427 16.605 7.079 1.00 0.00 C ATOM 54 NZ LYS A 4 12.883 17.704 7.975 1.00 0.00 N ATOM 0 H LYS A 4 11.388 12.221 7.839 1.00 0.00 H new ATOM 0 HA LYS A 4 9.745 13.204 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.991 13.750 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.811 14.620 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.614 15.434 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.800 14.544 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.494 15.992 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.443 17.102 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.053 15.726 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.555 16.907 6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.880 17.923 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.303 18.551 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.785 17.407 8.967 1.00 0.00 H new ATOM 68 N PRO A 5 7.894 11.743 7.415 1.00 0.00 N ATOM 69 CA PRO A 5 6.592 11.114 7.157 1.00 0.00 C ATOM 70 C PRO A 5 6.365 9.860 8.006 1.00 0.00 C ATOM 71 O PRO A 5 5.311 9.231 7.922 1.00 0.00 O ATOM 72 CB PRO A 5 6.660 10.739 5.672 1.00 0.00 C ATOM 73 CG PRO A 5 8.115 10.665 5.364 1.00 0.00 C ATOM 74 CD PRO A 5 8.764 11.707 6.227 1.00 0.00 C ATOM 0 HA PRO A 5 5.768 11.783 7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.167 9.786 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.162 11.485 5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.512 9.673 5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.302 10.859 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.788 11.437 6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.806 12.675 5.728 1.00 0.00 H new ATOM 82 N LEU A 6 7.361 9.503 8.819 1.00 0.00 N ATOM 83 CA LEU A 6 7.281 8.327 9.683 1.00 0.00 C ATOM 84 C LEU A 6 7.483 7.047 8.880 1.00 0.00 C ATOM 85 O LEU A 6 7.900 7.087 7.722 1.00 0.00 O ATOM 86 CB LEU A 6 5.946 8.273 10.428 1.00 0.00 C ATOM 87 CG LEU A 6 5.544 9.570 11.126 1.00 0.00 C ATOM 88 CD1 LEU A 6 4.503 10.302 10.304 1.00 0.00 C ATOM 89 CD2 LEU A 6 5.018 9.285 12.527 1.00 0.00 C ATOM 0 H LEU A 6 8.239 10.017 8.896 1.00 0.00 H new ATOM 0 HA LEU A 6 8.081 8.409 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.163 8.001 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.994 7.478 11.172 1.00 0.00 H new ATOM 0 HG LEU A 6 6.426 10.204 11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.223 11.226 10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.914 10.537 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.622 9.671 10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.737 10.222 13.008 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.146 8.634 12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.794 8.795 13.114 1.00 0.00 H new ATOM 101 N THR A 7 7.186 5.912 9.503 1.00 0.00 N ATOM 102 CA THR A 7 7.336 4.619 8.844 1.00 0.00 C ATOM 103 C THR A 7 5.987 4.098 8.360 1.00 0.00 C ATOM 104 O THR A 7 4.936 4.573 8.792 1.00 0.00 O ATOM 105 CB THR A 7 7.982 3.607 9.795 1.00 0.00 C ATOM 106 OG1 THR A 7 8.035 4.118 11.115 1.00 0.00 O ATOM 107 CG2 THR A 7 9.391 3.226 9.395 1.00 0.00 C ATOM 0 H THR A 7 6.841 5.860 10.461 1.00 0.00 H new ATOM 0 HA THR A 7 7.985 4.752 7.978 1.00 0.00 H new ATOM 0 HB THR A 7 7.352 2.719 9.741 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.248 3.816 11.614 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.790 2.507 10.110 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.379 2.780 8.400 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.020 4.116 9.386 1.00 0.00 H new ATOM 115 N LYS A 8 6.024 3.121 7.460 1.00 0.00 N ATOM 116 CA LYS A 8 4.804 2.534 6.916 1.00 0.00 C ATOM 117 C LYS A 8 3.885 2.047 8.033 1.00 0.00 C ATOM 118 O LYS A 8 2.668 1.989 7.868 1.00 0.00 O ATOM 119 CB LYS A 8 5.145 1.375 5.979 1.00 0.00 C ATOM 120 CG LYS A 8 6.260 1.697 4.996 1.00 0.00 C ATOM 121 CD LYS A 8 6.104 0.916 3.700 1.00 0.00 C ATOM 122 CE LYS A 8 7.110 1.364 2.651 1.00 0.00 C ATOM 123 NZ LYS A 8 6.444 1.808 1.397 1.00 0.00 N ATOM 0 H LYS A 8 6.886 2.719 7.092 1.00 0.00 H new ATOM 0 HA LYS A 8 4.281 3.307 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.436 0.510 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.251 1.093 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.259 2.765 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.224 1.464 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.234 -0.148 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.093 1.048 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.712 2.180 3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.792 0.544 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.165 2.057 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.849 1.038 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.851 2.639 1.594 1.00 0.00 H new ATOM 137 N THR A 9 4.479 1.698 9.172 1.00 0.00 N ATOM 138 CA THR A 9 3.713 1.219 10.315 1.00 0.00 C ATOM 139 C THR A 9 3.056 2.379 11.056 1.00 0.00 C ATOM 140 O THR A 9 1.948 2.247 11.576 1.00 0.00 O ATOM 141 CB THR A 9 4.618 0.437 11.269 1.00 0.00 C ATOM 142 OG1 THR A 9 3.867 -0.114 12.336 1.00 0.00 O ATOM 143 CG2 THR A 9 5.723 1.279 11.872 1.00 0.00 C ATOM 0 H THR A 9 5.487 1.739 9.326 1.00 0.00 H new ATOM 0 HA THR A 9 2.929 0.559 9.944 1.00 0.00 H new ATOM 0 HB THR A 9 5.070 -0.345 10.660 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.464 -0.611 12.934 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.327 0.663 12.538 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.352 1.678 11.076 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.286 2.103 12.436 1.00 0.00 H new ATOM 151 N ASP A 10 3.746 3.514 11.100 1.00 0.00 N ATOM 152 CA ASP A 10 3.227 4.696 11.781 1.00 0.00 C ATOM 153 C ASP A 10 1.904 5.141 11.164 1.00 0.00 C ATOM 154 O ASP A 10 0.916 5.344 11.872 1.00 0.00 O ATOM 155 CB ASP A 10 4.255 5.829 11.724 1.00 0.00 C ATOM 156 CG ASP A 10 5.534 5.472 12.456 1.00 0.00 C ATOM 157 OD1 ASP A 10 5.934 4.291 12.408 1.00 0.00 O ATOM 158 OD2 ASP A 10 6.133 6.373 13.079 1.00 0.00 O ATOM 0 H ASP A 10 4.664 3.641 10.673 1.00 0.00 H new ATOM 0 HA ASP A 10 3.043 4.441 12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.485 6.058 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.826 6.730 12.162 1.00 0.00 H new ATOM 163 N TYR A 11 1.886 5.278 9.842 1.00 0.00 N ATOM 164 CA TYR A 11 0.676 5.686 9.138 1.00 0.00 C ATOM 165 C TYR A 11 -0.321 4.534 9.083 1.00 0.00 C ATOM 166 O TYR A 11 -1.515 4.719 9.314 1.00 0.00 O ATOM 167 CB TYR A 11 1.015 6.155 7.722 1.00 0.00 C ATOM 168 CG TYR A 11 1.026 7.660 7.567 1.00 0.00 C ATOM 169 CD1 TYR A 11 1.633 8.470 8.519 1.00 0.00 C ATOM 170 CD2 TYR A 11 0.431 8.269 6.470 1.00 0.00 C ATOM 171 CE1 TYR A 11 1.646 9.844 8.381 1.00 0.00 C ATOM 172 CE2 TYR A 11 0.440 9.643 6.325 1.00 0.00 C ATOM 173 CZ TYR A 11 1.049 10.426 7.283 1.00 0.00 C ATOM 174 OH TYR A 11 1.060 11.795 7.143 1.00 0.00 O ATOM 0 H TYR A 11 2.692 5.113 9.239 1.00 0.00 H new ATOM 0 HA TYR A 11 0.224 6.515 9.683 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.993 5.763 7.443 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.291 5.732 7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.102 8.018 9.380 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.047 7.659 5.718 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.122 10.460 9.130 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.027 10.101 5.466 1.00 0.00 H new ATOM 0 HH TYR A 11 0.598 12.043 6.315 1.00 0.00 H new ATOM 184 N LEU A 12 0.184 3.341 8.781 1.00 0.00 N ATOM 185 CA LEU A 12 -0.655 2.150 8.700 1.00 0.00 C ATOM 186 C LEU A 12 -1.417 1.934 10.004 1.00 0.00 C ATOM 187 O LEU A 12 -2.609 1.628 9.995 1.00 0.00 O ATOM 188 CB LEU A 12 0.201 0.921 8.384 1.00 0.00 C ATOM 189 CG LEU A 12 -0.541 -0.416 8.420 1.00 0.00 C ATOM 190 CD1 LEU A 12 -1.650 -0.440 7.380 1.00 0.00 C ATOM 191 CD2 LEU A 12 0.428 -1.567 8.195 1.00 0.00 C ATOM 0 H LEU A 12 1.172 3.174 8.588 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.378 2.296 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.640 1.048 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.026 0.880 9.095 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.993 -0.533 9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.166 -1.399 7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.358 0.363 7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.221 -0.301 6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.116 -2.511 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.908 -1.454 7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.187 -1.562 8.977 1.00 0.00 H new ATOM 203 N MET A 13 -0.721 2.100 11.125 1.00 0.00 N ATOM 204 CA MET A 13 -1.334 1.928 12.436 1.00 0.00 C ATOM 205 C MET A 13 -2.495 2.899 12.620 1.00 0.00 C ATOM 206 O MET A 13 -3.552 2.530 13.132 1.00 0.00 O ATOM 207 CB MET A 13 -0.297 2.138 13.541 1.00 0.00 C ATOM 208 CG MET A 13 0.703 0.998 13.663 1.00 0.00 C ATOM 209 SD MET A 13 0.345 -0.096 15.050 1.00 0.00 S ATOM 210 CE MET A 13 -1.333 -0.591 14.668 1.00 0.00 C ATOM 0 H MET A 13 0.267 2.353 11.151 1.00 0.00 H new ATOM 0 HA MET A 13 -1.718 0.910 12.501 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.243 3.065 13.349 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.813 2.261 14.493 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.702 0.419 12.739 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.705 1.410 13.780 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.677 -1.313 15.409 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.983 0.284 14.685 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.362 -1.046 13.678 1.00 0.00 H new ATOM 220 N ARG A 14 -2.290 4.142 12.196 1.00 0.00 N ATOM 221 CA ARG A 14 -3.320 5.168 12.310 1.00 0.00 C ATOM 222 C ARG A 14 -4.419 4.962 11.268 1.00 0.00 C ATOM 223 O ARG A 14 -5.553 5.404 11.454 1.00 0.00 O ATOM 224 CB ARG A 14 -2.701 6.560 12.151 1.00 0.00 C ATOM 225 CG ARG A 14 -2.800 7.416 13.405 1.00 0.00 C ATOM 226 CD ARG A 14 -1.427 7.805 13.929 1.00 0.00 C ATOM 227 NE ARG A 14 -1.479 9.002 14.765 1.00 0.00 N ATOM 228 CZ ARG A 14 -0.420 9.525 15.377 1.00 0.00 C ATOM 229 NH1 ARG A 14 0.775 8.960 15.249 1.00 0.00 N ATOM 230 NH2 ARG A 14 -0.554 10.616 16.119 1.00 0.00 N ATOM 0 H ARG A 14 -1.420 4.463 11.771 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.769 5.087 13.300 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.652 6.453 11.876 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.195 7.077 11.328 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.375 8.316 13.187 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.343 6.870 14.177 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.011 6.978 14.505 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.754 7.978 13.089 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.380 9.464 14.887 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.884 8.121 14.679 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.584 9.365 15.720 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.469 11.054 16.221 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.258 11.017 16.588 1.00 0.00 H new ATOM 244 N LEU A 15 -4.075 4.291 10.172 1.00 0.00 N ATOM 245 CA LEU A 15 -5.032 4.033 9.102 1.00 0.00 C ATOM 246 C LEU A 15 -6.136 3.086 9.567 1.00 0.00 C ATOM 247 O LEU A 15 -7.318 3.324 9.317 1.00 0.00 O ATOM 248 CB LEU A 15 -4.317 3.446 7.882 1.00 0.00 C ATOM 249 CG LEU A 15 -4.357 4.318 6.625 1.00 0.00 C ATOM 250 CD1 LEU A 15 -3.487 3.718 5.532 1.00 0.00 C ATOM 251 CD2 LEU A 15 -5.789 4.485 6.139 1.00 0.00 C ATOM 0 H LEU A 15 -3.141 3.917 10.002 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.491 4.982 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.275 3.262 8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.763 2.479 7.649 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.962 5.303 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.528 4.351 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.457 3.650 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.852 2.721 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.799 5.108 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.210 3.507 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.385 4.960 6.919 1.00 0.00 H new ATOM 263 N ARG A 16 -5.743 2.011 10.242 1.00 0.00 N ATOM 264 CA ARG A 16 -6.701 1.027 10.739 1.00 0.00 C ATOM 265 C ARG A 16 -7.566 1.611 11.854 1.00 0.00 C ATOM 266 O ARG A 16 -8.626 1.073 12.174 1.00 0.00 O ATOM 267 CB ARG A 16 -5.970 -0.217 11.244 1.00 0.00 C ATOM 268 CG ARG A 16 -4.953 0.074 12.335 1.00 0.00 C ATOM 269 CD ARG A 16 -4.269 -1.197 12.813 1.00 0.00 C ATOM 270 NE ARG A 16 -5.221 -2.155 13.369 1.00 0.00 N ATOM 271 CZ ARG A 16 -4.867 -3.298 13.953 1.00 0.00 C ATOM 272 NH1 ARG A 16 -3.585 -3.627 14.059 1.00 0.00 N ATOM 273 NH2 ARG A 16 -5.796 -4.113 14.432 1.00 0.00 N ATOM 0 H ARG A 16 -4.769 1.798 10.458 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.353 0.748 9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.703 -0.930 11.623 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.464 -0.696 10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.205 0.772 11.959 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.449 0.560 13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.736 -1.657 11.981 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.524 -0.946 13.568 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.215 -1.936 13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.866 -3.003 13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.319 -4.504 14.507 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.782 -3.865 14.353 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.525 -4.989 14.879 1.00 0.00 H new ATOM 287 N ARG A 17 -7.110 2.713 12.445 1.00 0.00 N ATOM 288 CA ARG A 17 -7.846 3.364 13.524 1.00 0.00 C ATOM 289 C ARG A 17 -9.265 3.723 13.088 1.00 0.00 C ATOM 290 O ARG A 17 -10.156 3.891 13.922 1.00 0.00 O ATOM 291 CB ARG A 17 -7.106 4.624 13.983 1.00 0.00 C ATOM 292 CG ARG A 17 -6.870 4.677 15.483 1.00 0.00 C ATOM 293 CD ARG A 17 -6.580 6.094 15.952 1.00 0.00 C ATOM 294 NE ARG A 17 -6.771 6.244 17.392 1.00 0.00 N ATOM 295 CZ ARG A 17 -5.956 5.722 18.307 1.00 0.00 C ATOM 296 NH1 ARG A 17 -4.893 5.017 17.936 1.00 0.00 N ATOM 297 NH2 ARG A 17 -6.203 5.906 19.597 1.00 0.00 N ATOM 0 H ARG A 17 -6.235 3.173 12.195 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.913 2.663 14.356 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.146 4.679 13.470 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.678 5.502 13.682 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.747 4.293 16.004 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.034 4.028 15.744 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.555 6.359 15.693 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.232 6.791 15.425 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.576 6.780 17.716 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.697 4.873 16.945 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.273 4.620 18.642 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.017 6.447 19.888 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.579 5.506 20.298 1.00 0.00 H new ATOM 311 N CYS A 18 -9.472 3.842 11.778 1.00 0.00 N ATOM 312 CA CYS A 18 -10.785 4.183 11.234 1.00 0.00 C ATOM 313 C CYS A 18 -11.871 3.277 11.806 1.00 0.00 C ATOM 314 O CYS A 18 -11.585 2.347 12.561 1.00 0.00 O ATOM 315 CB CYS A 18 -10.770 4.078 9.709 1.00 0.00 C ATOM 316 SG CYS A 18 -10.484 2.404 9.088 1.00 0.00 S ATOM 0 H CYS A 18 -8.747 3.707 11.073 1.00 0.00 H new ATOM 0 HA CYS A 18 -11.010 5.210 11.521 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -11.722 4.440 9.321 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.995 4.737 9.318 1.00 0.00 H new ATOM 0 HG CYS A 18 -9.207 2.206 8.948 1.00 0.00 H new ATOM 322 N GLN A 19 -13.119 3.553 11.440 1.00 0.00 N ATOM 323 CA GLN A 19 -14.249 2.764 11.916 1.00 0.00 C ATOM 324 C GLN A 19 -14.731 1.795 10.840 1.00 0.00 C ATOM 325 O GLN A 19 -15.178 0.689 11.143 1.00 0.00 O ATOM 326 CB GLN A 19 -15.396 3.682 12.341 1.00 0.00 C ATOM 327 CG GLN A 19 -15.815 4.672 11.267 1.00 0.00 C ATOM 328 CD GLN A 19 -17.260 5.109 11.406 1.00 0.00 C ATOM 329 OE1 GLN A 19 -18.179 4.297 11.301 1.00 0.00 O ATOM 330 NE2 GLN A 19 -17.467 6.398 11.646 1.00 0.00 N ATOM 0 H GLN A 19 -13.373 4.318 10.815 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.917 2.185 12.778 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -16.256 3.071 12.615 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.098 4.232 13.234 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.169 5.548 11.314 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.669 4.221 10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.675 7.036 11.725 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.418 6.751 11.751 1.00 0.00 H new ATOM 339 N THR A 20 -14.637 2.219 9.584 1.00 0.00 N ATOM 340 CA THR A 20 -15.064 1.390 8.464 1.00 0.00 C ATOM 341 C THR A 20 -14.295 1.749 7.196 1.00 0.00 C ATOM 342 O THR A 20 -13.655 2.797 7.122 1.00 0.00 O ATOM 343 CB THR A 20 -16.565 1.551 8.224 1.00 0.00 C ATOM 344 OG1 THR A 20 -16.969 0.844 7.066 1.00 0.00 O ATOM 345 CG2 THR A 20 -16.988 2.994 8.053 1.00 0.00 C ATOM 0 H THR A 20 -14.269 3.132 9.317 1.00 0.00 H new ATOM 0 HA THR A 20 -14.853 0.351 8.715 1.00 0.00 H new ATOM 0 HB THR A 20 -17.046 1.149 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.933 0.959 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 20 -18.064 3.040 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.736 3.556 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.469 3.426 7.197 1.00 0.00 H new ATOM 353 N ILE A 21 -14.361 0.868 6.202 1.00 0.00 N ATOM 354 CA ILE A 21 -13.668 1.088 4.937 1.00 0.00 C ATOM 355 C ILE A 21 -14.375 2.143 4.090 1.00 0.00 C ATOM 356 O ILE A 21 -13.730 2.988 3.471 1.00 0.00 O ATOM 357 CB ILE A 21 -13.560 -0.218 4.127 1.00 0.00 C ATOM 358 CG1 ILE A 21 -12.920 -1.317 4.977 1.00 0.00 C ATOM 359 CG2 ILE A 21 -12.759 0.009 2.853 1.00 0.00 C ATOM 360 CD1 ILE A 21 -11.558 -0.944 5.522 1.00 0.00 C ATOM 0 H ILE A 21 -14.887 -0.005 6.248 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.667 1.442 5.183 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.564 -0.538 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.583 -1.554 5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -12.827 -2.222 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.693 -0.924 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.253 0.764 2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.756 0.350 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.165 -1.770 6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.880 -0.736 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.648 -0.057 6.150 1.00 0.00 H new ATOM 372 N ASP A 22 -15.702 2.084 4.060 1.00 0.00 N ATOM 373 CA ASP A 22 -16.494 3.031 3.280 1.00 0.00 C ATOM 374 C ASP A 22 -16.147 4.472 3.645 1.00 0.00 C ATOM 375 O ASP A 22 -15.914 5.305 2.768 1.00 0.00 O ATOM 376 CB ASP A 22 -17.987 2.781 3.501 1.00 0.00 C ATOM 377 CG ASP A 22 -18.587 1.881 2.438 1.00 0.00 C ATOM 378 OD1 ASP A 22 -18.056 0.769 2.236 1.00 0.00 O ATOM 379 OD2 ASP A 22 -19.585 2.289 1.809 1.00 0.00 O ATOM 0 H ASP A 22 -16.253 1.391 4.566 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.257 2.879 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.135 2.329 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.515 3.734 3.506 1.00 0.00 H new ATOM 384 N THR A 23 -16.110 4.759 4.942 1.00 0.00 N ATOM 385 CA THR A 23 -15.788 6.097 5.417 1.00 0.00 C ATOM 386 C THR A 23 -14.280 6.334 5.346 1.00 0.00 C ATOM 387 O THR A 23 -13.828 7.412 4.957 1.00 0.00 O ATOM 388 CB THR A 23 -16.306 6.280 6.851 1.00 0.00 C ATOM 389 OG1 THR A 23 -17.605 6.843 6.842 1.00 0.00 O ATOM 390 CG2 THR A 23 -15.434 7.167 7.715 1.00 0.00 C ATOM 0 H THR A 23 -16.299 4.082 5.682 1.00 0.00 H new ATOM 0 HA THR A 23 -16.276 6.832 4.777 1.00 0.00 H new ATOM 0 HB THR A 23 -16.301 5.278 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 23 -17.921 6.951 7.763 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.869 7.245 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.435 6.736 7.788 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.369 8.159 7.269 1.00 0.00 H new ATOM 398 N LEU A 24 -13.509 5.316 5.716 1.00 0.00 N ATOM 399 CA LEU A 24 -12.055 5.409 5.687 1.00 0.00 C ATOM 400 C LEU A 24 -11.567 5.685 4.270 1.00 0.00 C ATOM 401 O LEU A 24 -10.625 6.443 4.064 1.00 0.00 O ATOM 402 CB LEU A 24 -11.430 4.114 6.220 1.00 0.00 C ATOM 403 CG LEU A 24 -9.912 3.983 6.045 1.00 0.00 C ATOM 404 CD1 LEU A 24 -9.574 3.522 4.635 1.00 0.00 C ATOM 405 CD2 LEU A 24 -9.215 5.299 6.357 1.00 0.00 C ATOM 0 H LEU A 24 -13.868 4.418 6.039 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.748 6.236 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.663 4.031 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.908 3.271 5.722 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.553 3.233 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.493 3.435 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.036 2.552 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.951 4.248 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.139 5.181 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.580 6.073 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.425 5.587 7.387 1.00 0.00 H new ATOM 417 N GLU A 25 -12.222 5.069 3.292 1.00 0.00 N ATOM 418 CA GLU A 25 -11.853 5.259 1.894 1.00 0.00 C ATOM 419 C GLU A 25 -11.934 6.735 1.515 1.00 0.00 C ATOM 420 O GLU A 25 -11.088 7.251 0.781 1.00 0.00 O ATOM 421 CB GLU A 25 -12.771 4.434 0.988 1.00 0.00 C ATOM 422 CG GLU A 25 -12.234 4.260 -0.424 1.00 0.00 C ATOM 423 CD GLU A 25 -13.275 4.557 -1.485 1.00 0.00 C ATOM 424 OE1 GLU A 25 -14.185 3.723 -1.675 1.00 0.00 O ATOM 425 OE2 GLU A 25 -13.181 5.625 -2.126 1.00 0.00 O ATOM 0 H GLU A 25 -13.008 4.436 3.440 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.826 4.921 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.921 3.451 1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.748 4.915 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.377 4.919 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.875 3.238 -0.549 1.00 0.00 H new ATOM 432 N ARG A 26 -12.955 7.410 2.032 1.00 0.00 N ATOM 433 CA ARG A 26 -13.151 8.827 1.759 1.00 0.00 C ATOM 434 C ARG A 26 -11.943 9.640 2.213 1.00 0.00 C ATOM 435 O ARG A 26 -11.556 10.609 1.560 1.00 0.00 O ATOM 436 CB ARG A 26 -14.414 9.332 2.458 1.00 0.00 C ATOM 437 CG ARG A 26 -14.845 10.720 2.009 1.00 0.00 C ATOM 438 CD ARG A 26 -15.880 11.316 2.950 1.00 0.00 C ATOM 439 NE ARG A 26 -15.395 12.531 3.600 1.00 0.00 N ATOM 440 CZ ARG A 26 -16.187 13.432 4.175 1.00 0.00 C ATOM 441 NH1 ARG A 26 -17.503 13.260 4.184 1.00 0.00 N ATOM 442 NH2 ARG A 26 -15.662 14.509 4.743 1.00 0.00 N ATOM 0 H ARG A 26 -13.660 6.997 2.643 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.266 8.952 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.227 8.630 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.243 9.344 3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.975 11.375 1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.257 10.666 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.789 11.542 2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.146 10.580 3.709 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.389 12.699 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.912 12.433 3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.105 13.954 4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.651 14.646 4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.269 15.200 5.184 1.00 0.00 H new ATOM 456 N VAL A 27 -11.350 9.243 3.336 1.00 0.00 N ATOM 457 CA VAL A 27 -10.189 9.945 3.863 1.00 0.00 C ATOM 458 C VAL A 27 -8.939 9.638 3.040 1.00 0.00 C ATOM 459 O VAL A 27 -8.014 10.447 2.977 1.00 0.00 O ATOM 460 CB VAL A 27 -9.938 9.618 5.355 1.00 0.00 C ATOM 461 CG1 VAL A 27 -9.349 8.227 5.543 1.00 0.00 C ATOM 462 CG2 VAL A 27 -9.038 10.674 5.977 1.00 0.00 C ATOM 0 H VAL A 27 -11.653 8.444 3.893 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.407 11.010 3.788 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.902 9.628 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.189 8.040 6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.038 7.483 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.397 8.161 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.868 10.435 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.084 10.695 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.516 11.650 5.901 1.00 0.00 H new ATOM 472 N ILE A 28 -8.922 8.470 2.399 1.00 0.00 N ATOM 473 CA ILE A 28 -7.789 8.075 1.571 1.00 0.00 C ATOM 474 C ILE A 28 -7.591 9.073 0.439 1.00 0.00 C ATOM 475 O ILE A 28 -6.463 9.410 0.078 1.00 0.00 O ATOM 476 CB ILE A 28 -7.979 6.669 0.968 1.00 0.00 C ATOM 477 CG1 ILE A 28 -8.333 5.660 2.062 1.00 0.00 C ATOM 478 CG2 ILE A 28 -6.723 6.235 0.225 1.00 0.00 C ATOM 479 CD1 ILE A 28 -8.432 4.233 1.566 1.00 0.00 C ATOM 0 H ILE A 28 -9.677 7.785 2.438 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.911 8.058 2.217 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.804 6.707 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.579 5.710 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.283 5.945 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.874 5.240 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.514 6.940 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.881 6.213 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.686 3.576 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.206 4.166 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.475 3.928 1.142 1.00 0.00 H new ATOM 491 N GLU A 29 -8.703 9.544 -0.115 1.00 0.00 N ATOM 492 CA GLU A 29 -8.663 10.510 -1.206 1.00 0.00 C ATOM 493 C GLU A 29 -8.190 11.871 -0.704 1.00 0.00 C ATOM 494 O GLU A 29 -7.335 12.509 -1.320 1.00 0.00 O ATOM 495 CB GLU A 29 -10.044 10.638 -1.852 1.00 0.00 C ATOM 496 CG GLU A 29 -10.023 10.499 -3.367 1.00 0.00 C ATOM 497 CD GLU A 29 -9.104 11.505 -4.031 1.00 0.00 C ATOM 498 OE1 GLU A 29 -9.113 12.682 -3.616 1.00 0.00 O ATOM 499 OE2 GLU A 29 -8.374 11.114 -4.965 1.00 0.00 O ATOM 0 H GLU A 29 -9.643 9.272 0.174 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.955 10.153 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.703 9.877 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.470 11.607 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.704 9.491 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.034 10.625 -3.754 1.00 0.00 H new ATOM 506 N LYS A 30 -8.751 12.308 0.418 1.00 0.00 N ATOM 507 CA LYS A 30 -8.386 13.593 1.004 1.00 0.00 C ATOM 508 C LYS A 30 -6.940 13.577 1.491 1.00 0.00 C ATOM 509 O LYS A 30 -6.172 14.497 1.210 1.00 0.00 O ATOM 510 CB LYS A 30 -9.327 13.936 2.162 1.00 0.00 C ATOM 511 CG LYS A 30 -10.164 15.183 1.915 1.00 0.00 C ATOM 512 CD LYS A 30 -9.996 16.203 3.031 1.00 0.00 C ATOM 513 CE LYS A 30 -11.182 16.192 3.983 1.00 0.00 C ATOM 514 NZ LYS A 30 -12.023 17.413 3.835 1.00 0.00 N ATOM 0 H LYS A 30 -9.460 11.792 0.940 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.481 14.357 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.992 13.091 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.738 14.077 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.876 15.632 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.215 14.905 1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.082 15.990 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.883 17.198 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.790 15.307 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.823 16.120 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.821 17.368 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.449 18.256 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.387 17.468 2.862 1.00 0.00 H new ATOM 528 N ASN A 31 -6.575 12.526 2.219 1.00 0.00 N ATOM 529 CA ASN A 31 -5.220 12.393 2.742 1.00 0.00 C ATOM 530 C ASN A 31 -4.205 12.318 1.608 1.00 0.00 C ATOM 531 O ASN A 31 -3.084 12.811 1.731 1.00 0.00 O ATOM 532 CB ASN A 31 -5.108 11.148 3.625 1.00 0.00 C ATOM 533 CG ASN A 31 -4.186 11.362 4.810 1.00 0.00 C ATOM 534 OD1 ASN A 31 -3.032 11.758 4.649 1.00 0.00 O ATOM 535 ND2 ASN A 31 -4.694 11.098 6.008 1.00 0.00 N ATOM 0 H ASN A 31 -7.198 11.755 2.460 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.003 13.276 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.099 10.870 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.740 10.314 3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.122 11.222 6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.657 10.772 6.093 1.00 0.00 H new ATOM 542 N LYS A 32 -4.607 11.701 0.502 1.00 0.00 N ATOM 543 CA LYS A 32 -3.732 11.564 -0.658 1.00 0.00 C ATOM 544 C LYS A 32 -3.298 12.931 -1.172 1.00 0.00 C ATOM 545 O LYS A 32 -2.138 13.130 -1.537 1.00 0.00 O ATOM 546 CB LYS A 32 -4.442 10.790 -1.769 1.00 0.00 C ATOM 547 CG LYS A 32 -4.241 9.284 -1.687 1.00 0.00 C ATOM 548 CD LYS A 32 -3.439 8.760 -2.869 1.00 0.00 C ATOM 549 CE LYS A 32 -4.337 8.113 -3.909 1.00 0.00 C ATOM 550 NZ LYS A 32 -5.027 9.125 -4.756 1.00 0.00 N ATOM 0 H LYS A 32 -5.532 11.288 0.384 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.844 11.011 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.509 11.008 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.081 11.144 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.727 9.035 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.211 8.788 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.884 9.580 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.705 8.034 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.743 7.455 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.080 7.490 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.630 8.642 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.615 9.738 -4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.319 9.703 -5.252 1.00 0.00 H new ATOM 564 N TYR A 33 -4.235 13.872 -1.198 1.00 0.00 N ATOM 565 CA TYR A 33 -3.950 15.223 -1.668 1.00 0.00 C ATOM 566 C TYR A 33 -3.512 16.125 -0.516 1.00 0.00 C ATOM 567 O TYR A 33 -2.863 17.148 -0.731 1.00 0.00 O ATOM 568 CB TYR A 33 -5.184 15.815 -2.352 1.00 0.00 C ATOM 569 CG TYR A 33 -5.267 15.500 -3.829 1.00 0.00 C ATOM 570 CD1 TYR A 33 -4.215 15.803 -4.684 1.00 0.00 C ATOM 571 CD2 TYR A 33 -6.398 14.899 -4.367 1.00 0.00 C ATOM 572 CE1 TYR A 33 -4.288 15.516 -6.034 1.00 0.00 C ATOM 573 CE2 TYR A 33 -6.479 14.609 -5.716 1.00 0.00 C ATOM 574 CZ TYR A 33 -5.421 14.919 -6.545 1.00 0.00 C ATOM 575 OH TYR A 33 -5.498 14.631 -7.887 1.00 0.00 O ATOM 0 H TYR A 33 -5.199 13.724 -0.899 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.133 15.164 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.079 15.438 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.179 16.897 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.326 16.270 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.228 14.654 -3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.461 15.758 -6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.366 14.142 -6.119 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.362 14.211 -8.082 1.00 0.00 H new ATOM 585 N GLU A 34 -3.873 15.742 0.707 1.00 0.00 N ATOM 586 CA GLU A 34 -3.517 16.523 1.886 1.00 0.00 C ATOM 587 C GLU A 34 -2.002 16.658 2.020 1.00 0.00 C ATOM 588 O GLU A 34 -1.445 17.730 1.791 1.00 0.00 O ATOM 589 CB GLU A 34 -4.101 15.880 3.147 1.00 0.00 C ATOM 590 CG GLU A 34 -4.779 16.873 4.077 1.00 0.00 C ATOM 591 CD GLU A 34 -4.786 16.410 5.519 1.00 0.00 C ATOM 592 OE1 GLU A 34 -3.690 16.198 6.080 1.00 0.00 O ATOM 593 OE2 GLU A 34 -5.887 16.256 6.089 1.00 0.00 O ATOM 0 H GLU A 34 -4.410 14.898 0.905 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.939 17.521 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.823 15.117 2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.303 15.373 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.269 17.834 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.805 17.033 3.746 1.00 0.00 H new ATOM 600 N LEU A 35 -1.340 15.567 2.397 1.00 0.00 N ATOM 601 CA LEU A 35 0.109 15.580 2.562 1.00 0.00 C ATOM 602 C LEU A 35 0.819 15.768 1.228 1.00 0.00 C ATOM 603 O LEU A 35 0.247 16.286 0.270 1.00 0.00 O ATOM 604 CB LEU A 35 0.604 14.297 3.255 1.00 0.00 C ATOM 605 CG LEU A 35 0.714 13.017 2.402 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.184 11.831 3.181 1.00 0.00 C ATOM 607 CD2 LEU A 35 -0.018 13.121 1.075 1.00 0.00 C ATOM 0 H LEU A 35 -1.781 14.669 2.593 1.00 0.00 H new ATOM 0 HA LEU A 35 0.352 16.430 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.587 14.503 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.065 14.087 4.089 1.00 0.00 H new ATOM 0 HG LEU A 35 1.771 12.882 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.265 10.930 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.766 11.706 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.861 12.002 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.097 12.189 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.077 13.306 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.399 13.942 0.493 1.00 0.00 H new ATOM 619 N SER A 36 2.068 15.330 1.180 1.00 0.00 N ATOM 620 CA SER A 36 2.871 15.429 -0.027 1.00 0.00 C ATOM 621 C SER A 36 3.278 14.042 -0.504 1.00 0.00 C ATOM 622 O SER A 36 2.908 13.034 0.099 1.00 0.00 O ATOM 623 CB SER A 36 4.115 16.281 0.229 1.00 0.00 C ATOM 624 OG SER A 36 3.881 17.638 -0.107 1.00 0.00 O ATOM 0 H SER A 36 2.549 14.900 1.970 1.00 0.00 H new ATOM 0 HA SER A 36 2.273 15.907 -0.803 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.401 16.207 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.950 15.897 -0.357 1.00 0.00 H new ATOM 0 HG SER A 36 4.690 18.162 0.067 1.00 0.00 H new ATOM 630 N ASP A 37 4.047 13.997 -1.580 1.00 0.00 N ATOM 631 CA ASP A 37 4.511 12.732 -2.129 1.00 0.00 C ATOM 632 C ASP A 37 5.341 11.966 -1.101 1.00 0.00 C ATOM 633 O ASP A 37 5.455 10.743 -1.171 1.00 0.00 O ATOM 634 CB ASP A 37 5.337 12.972 -3.394 1.00 0.00 C ATOM 635 CG ASP A 37 4.470 13.195 -4.618 1.00 0.00 C ATOM 636 OD1 ASP A 37 4.056 12.194 -5.241 1.00 0.00 O ATOM 637 OD2 ASP A 37 4.204 14.368 -4.952 1.00 0.00 O ATOM 0 H ASP A 37 4.363 14.821 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 37 3.637 12.132 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.980 13.839 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.990 12.116 -3.566 1.00 0.00 H new ATOM 642 N ASN A 38 5.939 12.696 -0.160 1.00 0.00 N ATOM 643 CA ASN A 38 6.777 12.077 0.862 1.00 0.00 C ATOM 644 C ASN A 38 5.957 11.319 1.904 1.00 0.00 C ATOM 645 O ASN A 38 6.268 10.169 2.219 1.00 0.00 O ATOM 646 CB ASN A 38 7.641 13.136 1.548 1.00 0.00 C ATOM 647 CG ASN A 38 8.691 12.528 2.456 1.00 0.00 C ATOM 648 OD1 ASN A 38 9.082 11.373 2.285 1.00 0.00 O ATOM 649 ND2 ASN A 38 9.154 13.303 3.430 1.00 0.00 N ATOM 0 H ASN A 38 5.859 13.710 -0.085 1.00 0.00 H new ATOM 0 HA ASN A 38 7.416 11.351 0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.131 13.748 0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.002 13.800 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.862 12.947 4.073 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.802 14.255 3.536 1.00 0.00 H new ATOM 656 N GLU A 39 4.907 11.943 2.435 1.00 0.00 N ATOM 657 CA GLU A 39 4.072 11.277 3.426 1.00 0.00 C ATOM 658 C GLU A 39 3.100 10.322 2.741 1.00 0.00 C ATOM 659 O GLU A 39 2.704 9.304 3.310 1.00 0.00 O ATOM 660 CB GLU A 39 3.310 12.281 4.308 1.00 0.00 C ATOM 661 CG GLU A 39 3.763 13.728 4.167 1.00 0.00 C ATOM 662 CD GLU A 39 5.192 13.945 4.624 1.00 0.00 C ATOM 663 OE1 GLU A 39 5.535 13.493 5.737 1.00 0.00 O ATOM 664 OE2 GLU A 39 5.965 14.574 3.873 1.00 0.00 O ATOM 0 H GLU A 39 4.619 12.893 2.199 1.00 0.00 H new ATOM 0 HA GLU A 39 4.731 10.707 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.249 12.222 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.417 11.982 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.670 14.033 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.100 14.369 4.747 1.00 0.00 H new ATOM 671 N LEU A 40 2.720 10.661 1.510 1.00 0.00 N ATOM 672 CA LEU A 40 1.794 9.842 0.737 1.00 0.00 C ATOM 673 C LEU A 40 2.366 8.456 0.492 1.00 0.00 C ATOM 674 O LEU A 40 1.636 7.465 0.502 1.00 0.00 O ATOM 675 CB LEU A 40 1.475 10.512 -0.593 1.00 0.00 C ATOM 676 CG LEU A 40 0.480 9.758 -1.477 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.496 10.725 -2.129 1.00 0.00 C ATOM 678 CD2 LEU A 40 1.213 8.945 -2.533 1.00 0.00 C ATOM 0 H LEU A 40 3.041 11.500 1.027 1.00 0.00 H new ATOM 0 HA LEU A 40 0.875 9.740 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.079 11.508 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.404 10.643 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.087 9.072 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.196 10.170 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.047 11.262 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.054 11.437 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.489 8.416 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.806 9.612 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.870 8.224 -2.046 1.00 0.00 H new ATOM 690 N ALA A 41 3.677 8.380 0.286 1.00 0.00 N ATOM 691 CA ALA A 41 4.325 7.097 0.057 1.00 0.00 C ATOM 692 C ALA A 41 4.012 6.167 1.217 1.00 0.00 C ATOM 693 O ALA A 41 3.788 4.970 1.033 1.00 0.00 O ATOM 694 CB ALA A 41 5.828 7.275 -0.100 1.00 0.00 C ATOM 0 H ALA A 41 4.305 9.184 0.273 1.00 0.00 H new ATOM 0 HA ALA A 41 3.945 6.661 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.294 6.304 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.030 7.928 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.238 7.720 0.806 1.00 0.00 H new ATOM 700 N VAL A 42 3.972 6.746 2.411 1.00 0.00 N ATOM 701 CA VAL A 42 3.653 5.998 3.612 1.00 0.00 C ATOM 702 C VAL A 42 2.153 5.738 3.699 1.00 0.00 C ATOM 703 O VAL A 42 1.722 4.727 4.251 1.00 0.00 O ATOM 704 CB VAL A 42 4.113 6.738 4.883 1.00 0.00 C ATOM 705 CG1 VAL A 42 4.026 5.823 6.095 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.527 7.273 4.710 1.00 0.00 C ATOM 0 H VAL A 42 4.158 7.736 2.569 1.00 0.00 H new ATOM 0 HA VAL A 42 4.187 5.050 3.550 1.00 0.00 H new ATOM 0 HB VAL A 42 3.447 7.585 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.355 6.363 6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.995 5.496 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.666 4.954 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.833 7.792 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.209 6.444 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.553 7.966 3.869 1.00 0.00 H new ATOM 716 N PHE A 43 1.354 6.661 3.151 1.00 0.00 N ATOM 717 CA PHE A 43 -0.095 6.513 3.180 1.00 0.00 C ATOM 718 C PHE A 43 -0.566 5.482 2.159 1.00 0.00 C ATOM 719 O PHE A 43 -1.495 4.716 2.418 1.00 0.00 O ATOM 720 CB PHE A 43 -0.775 7.857 2.914 1.00 0.00 C ATOM 721 CG PHE A 43 -2.229 7.870 3.288 1.00 0.00 C ATOM 722 CD1 PHE A 43 -3.184 7.375 2.415 1.00 0.00 C ATOM 723 CD2 PHE A 43 -2.639 8.372 4.512 1.00 0.00 C ATOM 724 CE1 PHE A 43 -4.523 7.380 2.757 1.00 0.00 C ATOM 725 CE2 PHE A 43 -3.976 8.379 4.860 1.00 0.00 C ATOM 726 CZ PHE A 43 -4.920 7.883 3.982 1.00 0.00 C ATOM 0 H PHE A 43 1.687 7.507 2.688 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.373 6.162 4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.256 8.636 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.676 8.103 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.879 6.981 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.905 8.762 5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.258 6.991 2.068 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.283 8.772 5.818 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.966 7.888 4.252 1.00 0.00 H new ATOM 736 N TYR A 44 0.078 5.469 0.997 1.00 0.00 N ATOM 737 CA TYR A 44 -0.277 4.534 -0.065 1.00 0.00 C ATOM 738 C TYR A 44 0.149 3.113 0.290 1.00 0.00 C ATOM 739 O TYR A 44 -0.633 2.171 0.162 1.00 0.00 O ATOM 740 CB TYR A 44 0.373 4.959 -1.383 1.00 0.00 C ATOM 741 CG TYR A 44 -0.475 4.660 -2.600 1.00 0.00 C ATOM 742 CD1 TYR A 44 -0.725 3.352 -2.992 1.00 0.00 C ATOM 743 CD2 TYR A 44 -1.025 5.689 -3.354 1.00 0.00 C ATOM 744 CE1 TYR A 44 -1.498 3.076 -4.104 1.00 0.00 C ATOM 745 CE2 TYR A 44 -1.800 5.420 -4.467 1.00 0.00 C ATOM 746 CZ TYR A 44 -2.034 4.113 -4.837 1.00 0.00 C ATOM 747 OH TYR A 44 -2.805 3.842 -5.944 1.00 0.00 O ATOM 0 H TYR A 44 0.849 6.096 0.766 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.361 4.549 -0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.580 6.029 -1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.332 4.452 -1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.309 2.537 -2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.845 6.714 -3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.681 2.053 -4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.220 6.230 -5.044 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.106 4.683 -6.347 1.00 0.00 H new ATOM 757 N SER A 45 1.392 2.965 0.733 1.00 0.00 N ATOM 758 CA SER A 45 1.921 1.658 1.104 1.00 0.00 C ATOM 759 C SER A 45 1.135 1.062 2.267 1.00 0.00 C ATOM 760 O SER A 45 0.968 -0.155 2.358 1.00 0.00 O ATOM 761 CB SER A 45 3.401 1.770 1.476 1.00 0.00 C ATOM 762 OG SER A 45 3.576 2.563 2.637 1.00 0.00 O ATOM 0 H SER A 45 2.053 3.734 0.844 1.00 0.00 H new ATOM 0 HA SER A 45 1.819 0.996 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.813 0.775 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.956 2.207 0.646 1.00 0.00 H new ATOM 0 HG SER A 45 3.555 3.512 2.391 1.00 0.00 H new ATOM 768 N ALA A 46 0.655 1.926 3.155 1.00 0.00 N ATOM 769 CA ALA A 46 -0.114 1.485 4.313 1.00 0.00 C ATOM 770 C ALA A 46 -1.535 1.103 3.917 1.00 0.00 C ATOM 771 O ALA A 46 -2.103 0.148 4.448 1.00 0.00 O ATOM 772 CB ALA A 46 -0.133 2.573 5.375 1.00 0.00 C ATOM 0 H ALA A 46 0.785 2.936 3.095 1.00 0.00 H new ATOM 0 HA ALA A 46 0.369 0.598 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.710 2.232 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.888 2.794 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.590 3.474 4.965 1.00 0.00 H new ATOM 778 N ALA A 47 -2.105 1.856 2.985 1.00 0.00 N ATOM 779 CA ALA A 47 -3.463 1.599 2.519 1.00 0.00 C ATOM 780 C ALA A 47 -3.557 0.253 1.807 1.00 0.00 C ATOM 781 O ALA A 47 -4.612 -0.381 1.796 1.00 0.00 O ATOM 782 CB ALA A 47 -3.924 2.718 1.597 1.00 0.00 C ATOM 0 H ALA A 47 -1.648 2.650 2.536 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.118 1.565 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.939 2.514 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.906 3.665 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.258 2.778 0.736 1.00 0.00 H new ATOM 788 N ASP A 48 -2.451 -0.179 1.211 1.00 0.00 N ATOM 789 CA ASP A 48 -2.415 -1.450 0.495 1.00 0.00 C ATOM 790 C ASP A 48 -2.382 -2.626 1.467 1.00 0.00 C ATOM 791 O ASP A 48 -3.125 -3.593 1.306 1.00 0.00 O ATOM 792 CB ASP A 48 -1.198 -1.503 -0.432 1.00 0.00 C ATOM 793 CG ASP A 48 -1.528 -1.075 -1.850 1.00 0.00 C ATOM 794 OD1 ASP A 48 -2.729 -0.963 -2.174 1.00 0.00 O ATOM 795 OD2 ASP A 48 -0.584 -0.851 -2.636 1.00 0.00 O ATOM 0 H ASP A 48 -1.568 0.331 1.209 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.323 -1.525 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.414 -0.858 -0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.800 -2.518 -0.446 1.00 0.00 H new ATOM 800 N HIS A 49 -1.524 -2.538 2.482 1.00 0.00 N ATOM 801 CA HIS A 49 -1.415 -3.601 3.477 1.00 0.00 C ATOM 802 C HIS A 49 -2.784 -3.882 4.086 1.00 0.00 C ATOM 803 O HIS A 49 -3.174 -5.035 4.267 1.00 0.00 O ATOM 804 CB HIS A 49 -0.416 -3.213 4.569 1.00 0.00 C ATOM 805 CG HIS A 49 0.861 -3.992 4.514 1.00 0.00 C ATOM 806 ND1 HIS A 49 1.592 -4.319 5.637 1.00 0.00 N ATOM 807 CD2 HIS A 49 1.538 -4.511 3.462 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.663 -5.005 5.278 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.653 -5.135 3.964 1.00 0.00 N ATOM 0 H HIS A 49 -0.899 -1.747 2.636 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.052 -4.505 2.988 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.188 -2.151 4.481 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.880 -3.360 5.544 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.254 -4.446 2.422 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.418 -5.393 5.946 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.360 -5.621 3.411 1.00 0.00 H new ATOM 818 N ARG A 50 -3.517 -2.812 4.373 1.00 0.00 N ATOM 819 CA ARG A 50 -4.856 -2.930 4.930 1.00 0.00 C ATOM 820 C ARG A 50 -5.772 -3.580 3.905 1.00 0.00 C ATOM 821 O ARG A 50 -6.505 -4.522 4.204 1.00 0.00 O ATOM 822 CB ARG A 50 -5.397 -1.549 5.291 1.00 0.00 C ATOM 823 CG ARG A 50 -6.259 -1.538 6.542 1.00 0.00 C ATOM 824 CD ARG A 50 -5.438 -1.221 7.782 1.00 0.00 C ATOM 825 NE ARG A 50 -5.020 -2.432 8.485 1.00 0.00 N ATOM 826 CZ ARG A 50 -4.024 -2.470 9.367 1.00 0.00 C ATOM 827 NH1 ARG A 50 -3.342 -1.369 9.657 1.00 0.00 N ATOM 828 NH2 ARG A 50 -3.709 -3.613 9.961 1.00 0.00 N ATOM 0 H ARG A 50 -3.204 -1.852 4.228 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.816 -3.543 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.559 -0.866 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.982 -1.168 4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.053 -0.799 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.741 -2.508 6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.558 -0.645 7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.024 -0.595 8.455 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.521 -3.299 8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.580 -0.487 9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.580 -1.405 10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.230 -4.462 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.946 -3.643 10.637 1.00 0.00 H new ATOM 842 N LEU A 51 -5.702 -3.063 2.687 1.00 0.00 N ATOM 843 CA LEU A 51 -6.496 -3.571 1.582 1.00 0.00 C ATOM 844 C LEU A 51 -6.201 -5.056 1.368 1.00 0.00 C ATOM 845 O LEU A 51 -7.093 -5.842 1.044 1.00 0.00 O ATOM 846 CB LEU A 51 -6.179 -2.748 0.320 1.00 0.00 C ATOM 847 CG LEU A 51 -6.286 -3.483 -1.020 1.00 0.00 C ATOM 848 CD1 LEU A 51 -5.091 -4.403 -1.209 1.00 0.00 C ATOM 849 CD2 LEU A 51 -7.594 -4.259 -1.112 1.00 0.00 C ATOM 0 H LEU A 51 -5.095 -2.282 2.439 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.558 -3.473 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.852 -1.891 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.166 -2.356 0.414 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.283 -2.745 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.178 -4.920 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.173 -3.815 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.064 -5.135 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.646 -4.772 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.640 -4.992 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.433 -3.569 -1.023 1.00 0.00 H new ATOM 861 N ALA A 52 -4.938 -5.428 1.553 1.00 0.00 N ATOM 862 CA ALA A 52 -4.508 -6.810 1.384 1.00 0.00 C ATOM 863 C ALA A 52 -5.226 -7.741 2.356 1.00 0.00 C ATOM 864 O ALA A 52 -5.787 -8.760 1.952 1.00 0.00 O ATOM 865 CB ALA A 52 -3.001 -6.913 1.565 1.00 0.00 C ATOM 0 H ALA A 52 -4.192 -4.787 1.821 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.769 -7.123 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.689 -7.950 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.502 -6.290 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.731 -6.574 2.565 1.00 0.00 H new ATOM 871 N GLU A 53 -5.209 -7.388 3.640 1.00 0.00 N ATOM 872 CA GLU A 53 -5.863 -8.203 4.657 1.00 0.00 C ATOM 873 C GLU A 53 -7.370 -8.239 4.429 1.00 0.00 C ATOM 874 O GLU A 53 -8.033 -9.221 4.763 1.00 0.00 O ATOM 875 CB GLU A 53 -5.555 -7.675 6.060 1.00 0.00 C ATOM 876 CG GLU A 53 -5.793 -6.182 6.221 1.00 0.00 C ATOM 877 CD GLU A 53 -5.645 -5.721 7.658 1.00 0.00 C ATOM 878 OE1 GLU A 53 -4.495 -5.632 8.138 1.00 0.00 O ATOM 879 OE2 GLU A 53 -6.679 -5.448 8.304 1.00 0.00 O ATOM 0 H GLU A 53 -4.752 -6.549 3.997 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.473 -9.218 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.170 -8.211 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.515 -7.895 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.089 -5.636 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.794 -5.937 5.866 1.00 0.00 H new ATOM 886 N LEU A 54 -7.907 -7.168 3.851 1.00 0.00 N ATOM 887 CA LEU A 54 -9.335 -7.091 3.573 1.00 0.00 C ATOM 888 C LEU A 54 -9.753 -8.223 2.640 1.00 0.00 C ATOM 889 O LEU A 54 -10.849 -8.769 2.760 1.00 0.00 O ATOM 890 CB LEU A 54 -9.687 -5.737 2.952 1.00 0.00 C ATOM 891 CG LEU A 54 -10.266 -4.711 3.927 1.00 0.00 C ATOM 892 CD1 LEU A 54 -9.151 -3.962 4.640 1.00 0.00 C ATOM 893 CD2 LEU A 54 -11.181 -3.738 3.195 1.00 0.00 C ATOM 0 H LEU A 54 -7.376 -6.345 3.567 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.877 -7.193 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.789 -5.318 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.406 -5.898 2.148 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.855 -5.242 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.583 -3.237 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.535 -4.669 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.534 -3.443 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.584 -3.015 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.614 -3.214 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.000 -4.288 2.731 1.00 0.00 H new ATOM 905 N THR A 55 -8.863 -8.572 1.718 1.00 0.00 N ATOM 906 CA THR A 55 -9.126 -9.646 0.767 1.00 0.00 C ATOM 907 C THR A 55 -8.833 -11.003 1.400 1.00 0.00 C ATOM 908 O THR A 55 -9.515 -11.990 1.125 1.00 0.00 O ATOM 909 CB THR A 55 -8.275 -9.462 -0.490 1.00 0.00 C ATOM 910 OG1 THR A 55 -8.517 -8.196 -1.078 1.00 0.00 O ATOM 911 CG2 THR A 55 -8.533 -10.515 -1.546 1.00 0.00 C ATOM 0 H THR A 55 -7.952 -8.126 1.609 1.00 0.00 H new ATOM 0 HA THR A 55 -10.179 -9.609 0.489 1.00 0.00 H new ATOM 0 HB THR A 55 -7.241 -9.551 -0.155 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.730 -7.625 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.897 -10.326 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.309 -11.501 -1.139 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.579 -10.477 -1.849 1.00 0.00 H new ATOM 919 N MET A 56 -7.816 -11.036 2.257 1.00 0.00 N ATOM 920 CA MET A 56 -7.427 -12.265 2.942 1.00 0.00 C ATOM 921 C MET A 56 -8.046 -12.334 4.334 1.00 0.00 C ATOM 922 O MET A 56 -7.567 -13.067 5.197 1.00 0.00 O ATOM 923 CB MET A 56 -5.909 -12.338 3.061 1.00 0.00 C ATOM 924 CG MET A 56 -5.347 -13.736 2.858 1.00 0.00 C ATOM 925 SD MET A 56 -5.027 -14.110 1.123 1.00 0.00 S ATOM 926 CE MET A 56 -3.301 -13.654 0.992 1.00 0.00 C ATOM 0 H MET A 56 -7.246 -10.224 2.494 1.00 0.00 H new ATOM 0 HA MET A 56 -7.791 -13.108 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.463 -11.667 2.327 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.613 -11.976 4.046 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.421 -13.837 3.424 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.048 -14.467 3.260 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.159 -13.014 0.121 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.997 -13.117 1.890 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.694 -14.553 0.885 1.00 0.00 H new ATOM 936 N ASN A 57 -9.105 -11.561 4.544 1.00 0.00 N ATOM 937 CA ASN A 57 -9.791 -11.524 5.829 1.00 0.00 C ATOM 938 C ASN A 57 -9.016 -10.687 6.844 1.00 0.00 C ATOM 939 O ASN A 57 -9.427 -9.577 7.183 1.00 0.00 O ATOM 940 CB ASN A 57 -10.022 -12.938 6.374 1.00 0.00 C ATOM 941 CG ASN A 57 -10.540 -13.889 5.313 1.00 0.00 C ATOM 942 OD1 ASN A 57 -10.793 -13.490 4.175 1.00 0.00 O ATOM 943 ND2 ASN A 57 -10.702 -15.155 5.680 1.00 0.00 N ATOM 0 H ASN A 57 -9.509 -10.948 3.836 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.762 -11.055 5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.087 -13.325 6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.734 -12.895 7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.048 -15.840 5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.480 -15.442 6.633 1.00 0.00 H new ATOM 950 N LYS A 58 -7.899 -11.220 7.327 1.00 0.00 N ATOM 951 CA LYS A 58 -7.079 -10.514 8.305 1.00 0.00 C ATOM 952 C LYS A 58 -5.613 -10.914 8.187 1.00 0.00 C ATOM 953 O LYS A 58 -4.900 -10.989 9.188 1.00 0.00 O ATOM 954 CB LYS A 58 -7.573 -10.812 9.721 1.00 0.00 C ATOM 955 CG LYS A 58 -8.700 -9.903 10.185 1.00 0.00 C ATOM 956 CD LYS A 58 -8.170 -8.729 10.991 1.00 0.00 C ATOM 957 CE LYS A 58 -7.420 -7.743 10.110 1.00 0.00 C ATOM 958 NZ LYS A 58 -7.575 -6.342 10.588 1.00 0.00 N ATOM 0 H LYS A 58 -7.541 -12.137 7.058 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.166 -9.446 8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.912 -11.847 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.737 -10.720 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.251 -9.533 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.404 -10.474 10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.999 -8.221 11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.508 -9.094 11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.362 -8.005 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.786 -7.820 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.405 -5.685 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.540 -6.204 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.889 -6.156 11.347 1.00 0.00 H new ATOM 972 N LEU A 59 -5.164 -11.179 6.965 1.00 0.00 N ATOM 973 CA LEU A 59 -3.781 -11.577 6.744 1.00 0.00 C ATOM 974 C LEU A 59 -3.039 -10.562 5.878 1.00 0.00 C ATOM 975 O LEU A 59 -3.393 -10.341 4.720 1.00 0.00 O ATOM 976 CB LEU A 59 -3.726 -12.962 6.089 1.00 0.00 C ATOM 977 CG LEU A 59 -2.326 -13.454 5.704 1.00 0.00 C ATOM 978 CD1 LEU A 59 -1.868 -12.806 4.407 1.00 0.00 C ATOM 979 CD2 LEU A 59 -1.332 -13.171 6.821 1.00 0.00 C ATOM 0 H LEU A 59 -5.733 -11.126 6.120 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.288 -11.617 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.172 -13.686 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.346 -12.946 5.193 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.374 -14.532 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.872 -13.168 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.564 -13.061 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.839 -11.724 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.344 -13.528 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.290 -12.098 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.649 -13.685 7.729 1.00 0.00 H new ATOM 991 N TYR A 60 -2.000 -9.958 6.447 1.00 0.00 N ATOM 992 CA TYR A 60 -1.194 -8.977 5.730 1.00 0.00 C ATOM 993 C TYR A 60 0.295 -9.235 5.954 1.00 0.00 C ATOM 994 O TYR A 60 0.675 -9.925 6.901 1.00 0.00 O ATOM 995 CB TYR A 60 -1.565 -7.551 6.156 1.00 0.00 C ATOM 996 CG TYR A 60 -0.849 -7.072 7.397 1.00 0.00 C ATOM 997 CD1 TYR A 60 0.446 -6.581 7.322 1.00 0.00 C ATOM 998 CD2 TYR A 60 -1.467 -7.110 8.641 1.00 0.00 C ATOM 999 CE1 TYR A 60 1.109 -6.139 8.452 1.00 0.00 C ATOM 1000 CE2 TYR A 60 -0.813 -6.671 9.776 1.00 0.00 C ATOM 1001 CZ TYR A 60 0.476 -6.186 9.676 1.00 0.00 C ATOM 1002 OH TYR A 60 1.132 -5.749 10.804 1.00 0.00 O ATOM 0 H TYR A 60 -1.696 -10.132 7.405 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.403 -9.079 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.343 -6.869 5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.640 -7.503 6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.945 -6.543 6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.475 -7.489 8.722 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.117 -5.759 8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.307 -6.707 10.736 1.00 0.00 H new ATOM 0 HH TYR A 60 0.546 -5.849 11.583 1.00 0.00 H new ATOM 1012 N ASP A 61 1.129 -8.680 5.073 1.00 0.00 N ATOM 1013 CA ASP A 61 2.585 -8.842 5.153 1.00 0.00 C ATOM 1014 C ASP A 61 3.044 -10.094 4.408 1.00 0.00 C ATOM 1015 O ASP A 61 4.187 -10.173 3.957 1.00 0.00 O ATOM 1016 CB ASP A 61 3.059 -8.898 6.609 1.00 0.00 C ATOM 1017 CG ASP A 61 4.476 -8.384 6.777 1.00 0.00 C ATOM 1018 OD1 ASP A 61 4.913 -7.566 5.940 1.00 0.00 O ATOM 1019 OD2 ASP A 61 5.146 -8.797 7.746 1.00 0.00 O ATOM 0 H ASP A 61 0.818 -8.108 4.287 1.00 0.00 H new ATOM 0 HA ASP A 61 3.032 -7.970 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.385 -8.308 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.004 -9.926 6.967 1.00 0.00 H new ATOM 1024 N LYS A 62 2.149 -11.068 4.277 1.00 0.00 N ATOM 1025 CA LYS A 62 2.468 -12.309 3.581 1.00 0.00 C ATOM 1026 C LYS A 62 1.607 -12.469 2.330 1.00 0.00 C ATOM 1027 O LYS A 62 1.459 -13.573 1.806 1.00 0.00 O ATOM 1028 CB LYS A 62 2.261 -13.506 4.511 1.00 0.00 C ATOM 1029 CG LYS A 62 3.367 -13.675 5.540 1.00 0.00 C ATOM 1030 CD LYS A 62 3.044 -12.939 6.829 1.00 0.00 C ATOM 1031 CE LYS A 62 2.398 -13.861 7.851 1.00 0.00 C ATOM 1032 NZ LYS A 62 2.848 -13.556 9.237 1.00 0.00 N ATOM 0 H LYS A 62 1.198 -11.022 4.643 1.00 0.00 H new ATOM 0 HA LYS A 62 3.514 -12.268 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.309 -13.393 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.192 -14.414 3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.511 -14.735 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.306 -13.301 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.958 -12.515 7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.375 -12.105 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.314 -13.765 7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.640 -14.896 7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.385 -14.206 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.880 -13.672 9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.594 -12.576 9.477 1.00 0.00 H new ATOM 1046 N ILE A 63 1.043 -11.362 1.852 1.00 0.00 N ATOM 1047 CA ILE A 63 0.203 -11.390 0.662 1.00 0.00 C ATOM 1048 C ILE A 63 1.009 -11.823 -0.560 1.00 0.00 C ATOM 1049 O ILE A 63 1.981 -11.166 -0.934 1.00 0.00 O ATOM 1050 CB ILE A 63 -0.431 -10.013 0.384 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -1.097 -9.462 1.650 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -1.440 -10.117 -0.753 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.396 -8.249 2.226 1.00 0.00 C ATOM 0 H ILE A 63 1.153 -10.438 2.270 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.592 -12.111 0.850 1.00 0.00 H new ATOM 0 HB ILE A 63 0.356 -9.321 0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.130 -9.200 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.127 -10.247 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.881 -9.138 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.937 -10.466 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.225 -10.822 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.923 -7.914 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.630 -8.511 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.390 -7.448 1.487 1.00 0.00 H new ATOM 1065 N PRO A 64 0.622 -12.940 -1.202 1.00 0.00 N ATOM 1066 CA PRO A 64 1.322 -13.450 -2.384 1.00 0.00 C ATOM 1067 C PRO A 64 1.043 -12.615 -3.628 1.00 0.00 C ATOM 1068 O PRO A 64 0.494 -11.516 -3.541 1.00 0.00 O ATOM 1069 CB PRO A 64 0.756 -14.861 -2.545 1.00 0.00 C ATOM 1070 CG PRO A 64 -0.610 -14.785 -1.959 1.00 0.00 C ATOM 1071 CD PRO A 64 -0.525 -13.793 -0.831 1.00 0.00 C ATOM 0 HA PRO A 64 2.405 -13.422 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.722 -15.158 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.370 -15.596 -2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.337 -14.465 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.933 -15.761 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.443 -13.212 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.363 -14.288 0.126 1.00 0.00 H new ATOM 1079 N SER A 65 1.427 -13.141 -4.785 1.00 0.00 N ATOM 1080 CA SER A 65 1.221 -12.442 -6.048 1.00 0.00 C ATOM 1081 C SER A 65 -0.142 -12.778 -6.648 1.00 0.00 C ATOM 1082 O SER A 65 -0.708 -11.988 -7.400 1.00 0.00 O ATOM 1083 CB SER A 65 2.330 -12.804 -7.039 1.00 0.00 C ATOM 1084 OG SER A 65 2.318 -14.189 -7.337 1.00 0.00 O ATOM 0 H SER A 65 1.883 -14.049 -4.875 1.00 0.00 H new ATOM 0 HA SER A 65 1.252 -11.371 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.202 -12.231 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.298 -12.527 -6.622 1.00 0.00 H new ATOM 0 HG SER A 65 3.035 -14.393 -7.973 1.00 0.00 H new ATOM 1090 N SER A 66 -0.661 -13.956 -6.313 1.00 0.00 N ATOM 1091 CA SER A 66 -1.957 -14.391 -6.825 1.00 0.00 C ATOM 1092 C SER A 66 -3.093 -13.594 -6.192 1.00 0.00 C ATOM 1093 O SER A 66 -3.999 -13.128 -6.885 1.00 0.00 O ATOM 1094 CB SER A 66 -2.157 -15.884 -6.558 1.00 0.00 C ATOM 1095 OG SER A 66 -1.593 -16.667 -7.595 1.00 0.00 O ATOM 0 H SER A 66 -0.206 -14.624 -5.691 1.00 0.00 H new ATOM 0 HA SER A 66 -1.971 -14.213 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.698 -16.151 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.221 -16.102 -6.471 1.00 0.00 H new ATOM 0 HG SER A 66 -1.732 -17.617 -7.400 1.00 0.00 H new ATOM 1101 N VAL A 67 -3.042 -13.439 -4.873 1.00 0.00 N ATOM 1102 CA VAL A 67 -4.069 -12.698 -4.151 1.00 0.00 C ATOM 1103 C VAL A 67 -4.087 -11.233 -4.577 1.00 0.00 C ATOM 1104 O VAL A 67 -5.144 -10.677 -4.878 1.00 0.00 O ATOM 1105 CB VAL A 67 -3.858 -12.781 -2.627 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -4.998 -12.097 -1.886 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -3.724 -14.230 -2.187 1.00 0.00 C ATOM 0 H VAL A 67 -2.301 -13.817 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.026 -13.157 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.933 -12.260 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.828 -12.168 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.044 -11.048 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.940 -12.585 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.576 -14.270 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.631 -14.775 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.870 -14.685 -2.688 1.00 0.00 H new ATOM 1117 N TRP A 68 -2.912 -10.613 -4.601 1.00 0.00 N ATOM 1118 CA TRP A 68 -2.796 -9.213 -4.992 1.00 0.00 C ATOM 1119 C TRP A 68 -3.288 -9.009 -6.421 1.00 0.00 C ATOM 1120 O TRP A 68 -4.022 -8.065 -6.709 1.00 0.00 O ATOM 1121 CB TRP A 68 -1.345 -8.743 -4.862 1.00 0.00 C ATOM 1122 CG TRP A 68 -1.180 -7.570 -3.953 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -0.375 -7.496 -2.857 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -1.831 -6.298 -4.062 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -0.485 -6.260 -2.276 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -1.373 -5.505 -2.995 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -2.757 -5.753 -4.957 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -1.809 -4.198 -2.799 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -3.188 -4.455 -4.761 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -2.714 -3.690 -3.688 1.00 0.00 C ATOM 0 H TRP A 68 -2.028 -11.057 -4.355 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.420 -8.619 -4.324 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.736 -9.568 -4.493 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.965 -8.484 -5.850 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.257 -8.295 -2.498 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.014 -5.952 -1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.129 -6.336 -5.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.445 -3.606 -1.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -3.902 -4.023 -5.447 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.071 -2.679 -3.561 1.00 0.00 H new ATOM 1141 N LYS A 69 -2.883 -9.905 -7.314 1.00 0.00 N ATOM 1142 CA LYS A 69 -3.286 -9.822 -8.714 1.00 0.00 C ATOM 1143 C LYS A 69 -4.807 -9.808 -8.845 1.00 0.00 C ATOM 1144 O LYS A 69 -5.353 -9.260 -9.804 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.703 -10.994 -9.507 1.00 0.00 C ATOM 1146 CG LYS A 69 -1.500 -10.614 -10.356 1.00 0.00 C ATOM 1147 CD LYS A 69 -0.341 -11.574 -10.145 1.00 0.00 C ATOM 1148 CE LYS A 69 0.533 -11.676 -11.386 1.00 0.00 C ATOM 1149 NZ LYS A 69 1.365 -10.456 -11.580 1.00 0.00 N ATOM 0 H LYS A 69 -2.277 -10.696 -7.095 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.897 -8.889 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.413 -11.783 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.478 -11.406 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.783 -10.610 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.184 -9.601 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.262 -11.238 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.727 -12.561 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.181 -12.548 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.097 -11.829 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.946 -10.565 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.746 -9.627 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.985 -10.324 -10.755 1.00 0.00 H new ATOM 1163 N PHE A 70 -5.487 -10.417 -7.879 1.00 0.00 N ATOM 1164 CA PHE A 70 -6.944 -10.477 -7.889 1.00 0.00 C ATOM 1165 C PHE A 70 -7.556 -9.139 -7.482 1.00 0.00 C ATOM 1166 O PHE A 70 -8.436 -8.616 -8.165 1.00 0.00 O ATOM 1167 CB PHE A 70 -7.435 -11.582 -6.950 1.00 0.00 C ATOM 1168 CG PHE A 70 -8.595 -12.362 -7.499 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -9.879 -11.844 -7.452 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -8.401 -13.613 -8.061 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -10.949 -12.560 -7.955 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -9.467 -14.334 -8.566 1.00 0.00 C ATOM 1173 CZ PHE A 70 -10.742 -13.806 -8.514 1.00 0.00 C ATOM 0 H PHE A 70 -5.052 -10.876 -7.079 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.263 -10.702 -8.907 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.612 -12.266 -6.745 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.724 -11.137 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -10.046 -10.870 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.406 -14.030 -8.105 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -11.945 -12.146 -7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.303 -15.309 -9.001 1.00 0.00 H new ATOM 0 HZ PHE A 70 -11.576 -14.366 -8.910 1.00 0.00 H new ATOM 1183 N ILE A 71 -7.089 -8.591 -6.364 1.00 0.00 N ATOM 1184 CA ILE A 71 -7.599 -7.317 -5.867 1.00 0.00 C ATOM 1185 C ILE A 71 -6.740 -6.149 -6.343 1.00 0.00 C ATOM 1186 O ILE A 71 -5.515 -6.178 -6.229 1.00 0.00 O ATOM 1187 CB ILE A 71 -7.669 -7.300 -4.327 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -8.378 -6.033 -3.842 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -6.273 -7.400 -3.725 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -9.456 -6.301 -2.814 1.00 0.00 C ATOM 0 H ILE A 71 -6.360 -9.008 -5.786 1.00 0.00 H new ATOM 0 HA ILE A 71 -8.606 -7.205 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.243 -8.165 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.640 -5.354 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.821 -5.524 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.344 -7.386 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.804 -8.330 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.671 -6.555 -4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.916 -5.359 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.215 -6.955 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -9.015 -6.782 -1.941 1.00 0.00 H new ATOM 1202 N ARG A 72 -7.392 -5.119 -6.872 1.00 0.00 N ATOM 1203 CA ARG A 72 -6.690 -3.939 -7.363 1.00 0.00 C ATOM 1204 C ARG A 72 -7.043 -2.710 -6.529 1.00 0.00 C ATOM 1205 O ARG A 72 -6.343 -2.456 -5.527 1.00 0.00 O ATOM 1206 CB ARG A 72 -7.035 -3.688 -8.831 1.00 0.00 C ATOM 1207 CG ARG A 72 -6.448 -4.720 -9.780 1.00 0.00 C ATOM 1208 CD ARG A 72 -5.117 -4.258 -10.351 1.00 0.00 C ATOM 1209 NE ARG A 72 -3.983 -4.870 -9.662 1.00 0.00 N ATOM 1210 CZ ARG A 72 -2.752 -4.923 -10.163 1.00 0.00 C ATOM 1211 NH1 ARG A 72 -2.491 -4.402 -11.356 1.00 0.00 N ATOM 1212 NH2 ARG A 72 -1.778 -5.498 -9.470 1.00 0.00 N ATOM 1213 OXT ARG A 72 -8.016 -2.013 -6.887 1.00 0.00 O ATOM 0 H ARG A 72 -8.406 -5.078 -6.972 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.619 -4.122 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.119 -3.678 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.676 -2.699 -9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.311 -5.664 -9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.149 -4.908 -10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.073 -4.505 -11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.046 -3.173 -10.273 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.145 -5.281 -8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.236 -3.958 -11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.545 -4.445 -11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.973 -5.900 -8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.834 -5.539 -9.854 1.00 0.00 H new TER 1227 ARG A 72