USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0374 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.897 X(o=-0.9,f=-0.99) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.505 K(o=-0.5,f=-2.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -168:sc= -1.78 (180deg=-1.8) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 39 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-2) USER MOD Single : A 42 GLN : amide:sc= -2.6 K(o=-2.6,f=-4.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -161:sc= -0.025 (180deg=-0.284) USER MOD Single : A 57 ASN : amide:sc= -0.836 K(o=-0.84,f=-2.1!) USER MOD Single : A 63 SER OG : rot -33:sc= 0.00915 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 17:sc= 0.906 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.781 38.394 -4.035 1.00 0.00 N ATOM 2 CA GLY A 1 13.095 37.613 -2.852 1.00 0.00 C ATOM 3 C GLY A 1 12.408 36.262 -2.851 1.00 0.00 C ATOM 4 O GLY A 1 11.328 36.107 -3.421 1.00 0.00 O ATOM 0 H1 GLY A 1 13.624 38.461 -4.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.012 37.932 -4.562 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.482 39.349 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.174 37.469 -2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.797 38.169 -1.963 1.00 0.00 H new ATOM 8 N SER A 2 13.036 35.282 -2.209 1.00 0.00 N ATOM 9 CA SER A 2 12.480 33.935 -2.140 1.00 0.00 C ATOM 10 C SER A 2 11.608 33.770 -0.900 1.00 0.00 C ATOM 11 O SER A 2 10.441 33.390 -0.994 1.00 0.00 O ATOM 12 CB SER A 2 13.604 32.897 -2.129 1.00 0.00 C ATOM 13 OG SER A 2 13.119 31.625 -1.738 1.00 0.00 O ATOM 0 H SER A 2 13.929 35.395 -1.730 1.00 0.00 H new ATOM 0 HA SER A 2 11.859 33.779 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.051 32.830 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.391 33.216 -1.445 1.00 0.00 H new ATOM 0 HG SER A 2 13.856 30.979 -1.740 1.00 0.00 H new ATOM 19 N SER A 3 12.182 34.060 0.263 1.00 0.00 N ATOM 20 CA SER A 3 11.459 33.940 1.524 1.00 0.00 C ATOM 21 C SER A 3 10.706 32.615 1.595 1.00 0.00 C ATOM 22 O SER A 3 9.560 32.563 2.040 1.00 0.00 O ATOM 23 CB SER A 3 10.482 35.105 1.688 1.00 0.00 C ATOM 24 OG SER A 3 11.170 36.316 1.949 1.00 0.00 O ATOM 0 H SER A 3 13.146 34.380 0.358 1.00 0.00 H new ATOM 0 HA SER A 3 12.186 33.968 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.883 35.211 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.792 34.892 2.504 1.00 0.00 H new ATOM 0 HG SER A 3 10.523 37.045 2.048 1.00 0.00 H new ATOM 30 N GLY A 4 11.360 31.546 1.152 1.00 0.00 N ATOM 31 CA GLY A 4 10.737 30.235 1.173 1.00 0.00 C ATOM 32 C GLY A 4 11.004 29.487 2.464 1.00 0.00 C ATOM 33 O GLY A 4 11.966 29.782 3.173 1.00 0.00 O ATOM 0 H GLY A 4 12.309 31.564 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.661 30.345 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.107 29.647 0.333 1.00 0.00 H new ATOM 37 N SER A 5 10.150 28.516 2.771 1.00 0.00 N ATOM 38 CA SER A 5 10.295 27.727 3.989 1.00 0.00 C ATOM 39 C SER A 5 9.376 26.510 3.960 1.00 0.00 C ATOM 40 O SER A 5 8.451 26.435 3.151 1.00 0.00 O ATOM 41 CB SER A 5 9.985 28.585 5.217 1.00 0.00 C ATOM 42 OG SER A 5 8.678 29.128 5.144 1.00 0.00 O ATOM 0 H SER A 5 9.350 28.257 2.193 1.00 0.00 H new ATOM 0 HA SER A 5 11.327 27.380 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.081 27.982 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.714 29.392 5.294 1.00 0.00 H new ATOM 0 HG SER A 5 8.504 29.671 5.941 1.00 0.00 H new ATOM 48 N SER A 6 9.639 25.557 4.848 1.00 0.00 N ATOM 49 CA SER A 6 8.839 24.340 4.923 1.00 0.00 C ATOM 50 C SER A 6 7.359 24.671 5.088 1.00 0.00 C ATOM 51 O SER A 6 6.993 25.819 5.339 1.00 0.00 O ATOM 52 CB SER A 6 9.311 23.465 6.087 1.00 0.00 C ATOM 53 OG SER A 6 9.058 24.094 7.332 1.00 0.00 O ATOM 0 H SER A 6 10.400 25.604 5.526 1.00 0.00 H new ATOM 0 HA SER A 6 8.968 23.792 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.802 22.502 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.378 23.265 5.987 1.00 0.00 H new ATOM 0 HG SER A 6 9.367 23.515 8.060 1.00 0.00 H new ATOM 59 N GLY A 7 6.512 23.657 4.945 1.00 0.00 N ATOM 60 CA GLY A 7 5.082 23.860 5.081 1.00 0.00 C ATOM 61 C GLY A 7 4.274 22.837 4.306 1.00 0.00 C ATOM 62 O GLY A 7 4.636 22.470 3.189 1.00 0.00 O ATOM 0 H GLY A 7 6.791 22.698 4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.810 23.810 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.826 24.860 4.733 1.00 0.00 H new ATOM 66 N GLU A 8 3.179 22.375 4.902 1.00 0.00 N ATOM 67 CA GLU A 8 2.321 21.387 4.260 1.00 0.00 C ATOM 68 C GLU A 8 1.132 22.059 3.579 1.00 0.00 C ATOM 69 O GLU A 8 0.665 23.110 4.018 1.00 0.00 O ATOM 70 CB GLU A 8 1.825 20.366 5.287 1.00 0.00 C ATOM 71 CG GLU A 8 2.831 19.268 5.588 1.00 0.00 C ATOM 72 CD GLU A 8 2.283 18.220 6.538 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.974 18.573 7.695 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.165 17.048 6.124 1.00 0.00 O ATOM 0 H GLU A 8 2.866 22.669 5.827 1.00 0.00 H new ATOM 0 HA GLU A 8 2.909 20.872 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.578 20.885 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.904 19.913 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.129 18.788 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.729 19.711 6.020 1.00 0.00 H new ATOM 81 N ASP A 9 0.649 21.444 2.505 1.00 0.00 N ATOM 82 CA ASP A 9 -0.486 21.982 1.763 1.00 0.00 C ATOM 83 C ASP A 9 -1.786 21.312 2.198 1.00 0.00 C ATOM 84 O ASP A 9 -1.799 20.178 2.675 1.00 0.00 O ATOM 85 CB ASP A 9 -0.277 21.790 0.260 1.00 0.00 C ATOM 86 CG ASP A 9 0.876 22.617 -0.274 1.00 0.00 C ATOM 87 OD1 ASP A 9 0.843 23.854 -0.114 1.00 0.00 O ATOM 88 OD2 ASP A 9 1.812 22.026 -0.854 1.00 0.00 O ATOM 0 H ASP A 9 1.025 20.574 2.129 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.558 23.048 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.091 20.736 0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.191 22.062 -0.269 1.00 0.00 H new ATOM 93 N PRO A 10 -2.907 22.030 2.030 1.00 0.00 N ATOM 94 CA PRO A 10 -4.232 21.526 2.399 1.00 0.00 C ATOM 95 C PRO A 10 -4.700 20.399 1.483 1.00 0.00 C ATOM 96 O PRO A 10 -5.808 19.885 1.632 1.00 0.00 O ATOM 97 CB PRO A 10 -5.135 22.752 2.242 1.00 0.00 C ATOM 98 CG PRO A 10 -4.436 23.611 1.246 1.00 0.00 C ATOM 99 CD PRO A 10 -2.966 23.389 1.466 1.00 0.00 C ATOM 0 HA PRO A 10 -4.240 21.099 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.129 22.470 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.266 23.272 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.723 23.342 0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.697 24.660 1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.405 23.462 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.546 24.127 2.150 1.00 0.00 H new ATOM 107 N PHE A 11 -3.848 20.021 0.537 1.00 0.00 N ATOM 108 CA PHE A 11 -4.175 18.955 -0.404 1.00 0.00 C ATOM 109 C PHE A 11 -3.103 17.869 -0.389 1.00 0.00 C ATOM 110 O PHE A 11 -2.530 17.534 -1.425 1.00 0.00 O ATOM 111 CB PHE A 11 -4.322 19.522 -1.818 1.00 0.00 C ATOM 112 CG PHE A 11 -5.716 19.983 -2.136 1.00 0.00 C ATOM 113 CD1 PHE A 11 -6.795 19.126 -1.985 1.00 0.00 C ATOM 114 CD2 PHE A 11 -5.947 21.272 -2.586 1.00 0.00 C ATOM 115 CE1 PHE A 11 -8.078 19.548 -2.277 1.00 0.00 C ATOM 116 CE2 PHE A 11 -7.229 21.699 -2.879 1.00 0.00 C ATOM 117 CZ PHE A 11 -8.295 20.836 -2.726 1.00 0.00 C ATOM 0 H PHE A 11 -2.926 20.436 0.401 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.122 18.511 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.634 20.359 -1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.026 18.760 -2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.631 18.117 -1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.117 21.951 -2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.911 18.871 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.396 22.707 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.297 21.167 -2.957 1.00 0.00 H new ATOM 127 N GLN A 12 -2.838 17.324 0.794 1.00 0.00 N ATOM 128 CA GLN A 12 -1.835 16.277 0.945 1.00 0.00 C ATOM 129 C GLN A 12 -2.340 14.953 0.381 1.00 0.00 C ATOM 130 O GLN A 12 -3.541 14.681 0.353 1.00 0.00 O ATOM 131 CB GLN A 12 -1.461 16.108 2.419 1.00 0.00 C ATOM 132 CG GLN A 12 -0.428 17.112 2.904 1.00 0.00 C ATOM 133 CD GLN A 12 0.851 17.071 2.092 1.00 0.00 C ATOM 134 OE1 GLN A 12 1.015 17.823 1.131 1.00 0.00 O ATOM 135 NE2 GLN A 12 1.768 16.190 2.475 1.00 0.00 N ATOM 0 H GLN A 12 -3.304 17.590 1.661 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.949 16.575 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.361 16.203 3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.076 15.100 2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.852 18.115 2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.196 16.913 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.591 15.586 3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.649 16.118 1.967 1.00 0.00 H new ATOM 144 N PRO A 13 -1.405 14.110 -0.080 1.00 0.00 N ATOM 145 CA PRO A 13 -1.732 12.801 -0.652 1.00 0.00 C ATOM 146 C PRO A 13 -2.238 11.819 0.400 1.00 0.00 C ATOM 147 O PRO A 13 -2.275 12.134 1.588 1.00 0.00 O ATOM 148 CB PRO A 13 -0.398 12.323 -1.231 1.00 0.00 C ATOM 149 CG PRO A 13 0.638 13.034 -0.431 1.00 0.00 C ATOM 150 CD PRO A 13 0.045 14.370 -0.078 1.00 0.00 C ATOM 0 HA PRO A 13 -2.533 12.867 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.293 11.242 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.316 12.566 -2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.892 12.471 0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.558 13.154 -1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.390 14.718 0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.317 15.135 -0.805 1.00 0.00 H new ATOM 158 N GLU A 14 -2.627 10.629 -0.047 1.00 0.00 N ATOM 159 CA GLU A 14 -3.131 9.602 0.857 1.00 0.00 C ATOM 160 C GLU A 14 -2.041 8.587 1.190 1.00 0.00 C ATOM 161 O GLU A 14 -2.016 7.485 0.640 1.00 0.00 O ATOM 162 CB GLU A 14 -4.334 8.890 0.235 1.00 0.00 C ATOM 163 CG GLU A 14 -5.541 9.792 0.038 1.00 0.00 C ATOM 164 CD GLU A 14 -6.792 9.020 -0.335 1.00 0.00 C ATOM 165 OE1 GLU A 14 -7.017 8.800 -1.543 1.00 0.00 O ATOM 166 OE2 GLU A 14 -7.546 8.636 0.584 1.00 0.00 O ATOM 0 H GLU A 14 -2.603 10.353 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.444 10.089 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.041 8.474 -0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.618 8.051 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.724 10.353 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.322 10.520 -0.743 1.00 0.00 H new ATOM 173 N ILE A 15 -1.143 8.967 2.092 1.00 0.00 N ATOM 174 CA ILE A 15 -0.052 8.090 2.498 1.00 0.00 C ATOM 175 C ILE A 15 -0.159 7.727 3.976 1.00 0.00 C ATOM 176 O ILE A 15 -0.703 8.489 4.776 1.00 0.00 O ATOM 177 CB ILE A 15 1.320 8.742 2.240 1.00 0.00 C ATOM 178 CG1 ILE A 15 1.548 8.923 0.738 1.00 0.00 C ATOM 179 CG2 ILE A 15 2.430 7.901 2.853 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.744 9.789 0.409 1.00 0.00 C ATOM 0 H ILE A 15 -1.149 9.876 2.555 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.135 7.185 1.897 1.00 0.00 H new ATOM 0 HB ILE A 15 1.334 9.725 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.681 7.944 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.656 9.365 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.393 8.375 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.273 7.819 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.421 6.906 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.845 9.874 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.605 10.781 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.645 9.337 0.823 1.00 0.00 H new ATOM 192 N LYS A 16 0.364 6.559 4.331 1.00 0.00 N ATOM 193 CA LYS A 16 0.331 6.094 5.713 1.00 0.00 C ATOM 194 C LYS A 16 1.713 5.633 6.165 1.00 0.00 C ATOM 195 O LYS A 16 2.175 5.993 7.248 1.00 0.00 O ATOM 196 CB LYS A 16 -0.675 4.950 5.864 1.00 0.00 C ATOM 197 CG LYS A 16 -0.691 4.334 7.252 1.00 0.00 C ATOM 198 CD LYS A 16 -1.493 5.178 8.228 1.00 0.00 C ATOM 199 CE LYS A 16 -0.994 5.005 9.654 1.00 0.00 C ATOM 200 NZ LYS A 16 -1.486 6.090 10.549 1.00 0.00 N ATOM 0 H LYS A 16 0.816 5.916 3.681 1.00 0.00 H new ATOM 0 HA LYS A 16 0.021 6.928 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.673 5.321 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.443 4.174 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.117 3.332 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.331 4.228 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.427 6.228 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.545 4.899 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.322 4.040 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.096 4.996 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.124 5.936 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.152 7.009 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.526 6.082 10.565 1.00 0.00 H new ATOM 214 N VAL A 17 2.369 4.836 5.329 1.00 0.00 N ATOM 215 CA VAL A 17 3.700 4.328 5.641 1.00 0.00 C ATOM 216 C VAL A 17 3.646 3.307 6.773 1.00 0.00 C ATOM 217 O VAL A 17 4.341 3.445 7.780 1.00 0.00 O ATOM 218 CB VAL A 17 4.657 5.468 6.038 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.092 4.967 6.088 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.524 6.634 5.071 1.00 0.00 C ATOM 0 H VAL A 17 2.001 4.527 4.429 1.00 0.00 H new ATOM 0 HA VAL A 17 4.075 3.847 4.738 1.00 0.00 H new ATOM 0 HB VAL A 17 4.385 5.818 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.754 5.786 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.172 4.166 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.380 4.589 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.207 7.431 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.769 6.300 4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.500 7.008 5.090 1.00 0.00 H new ATOM 230 N ARG A 18 2.817 2.283 6.600 1.00 0.00 N ATOM 231 CA ARG A 18 2.673 1.239 7.607 1.00 0.00 C ATOM 232 C ARG A 18 3.643 0.091 7.344 1.00 0.00 C ATOM 233 O ARG A 18 3.337 -1.070 7.615 1.00 0.00 O ATOM 234 CB ARG A 18 1.236 0.712 7.623 1.00 0.00 C ATOM 235 CG ARG A 18 0.351 1.390 8.656 1.00 0.00 C ATOM 236 CD ARG A 18 -1.031 0.759 8.705 1.00 0.00 C ATOM 237 NE ARG A 18 -0.999 -0.585 9.276 1.00 0.00 N ATOM 238 CZ ARG A 18 -2.089 -1.277 9.589 1.00 0.00 C ATOM 239 NH1 ARG A 18 -3.291 -0.754 9.387 1.00 0.00 N ATOM 240 NH2 ARG A 18 -1.979 -2.494 10.105 1.00 0.00 N ATOM 0 H ARG A 18 2.235 2.154 5.772 1.00 0.00 H new ATOM 0 HA ARG A 18 2.906 1.673 8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.797 0.848 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.253 -0.360 7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.818 1.322 9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.260 2.450 8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.696 1.388 9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.445 0.715 7.698 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.090 -1.016 9.444 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.380 0.182 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.126 -1.287 9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.057 -2.900 10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.817 -3.024 10.345 1.00 0.00 H new ATOM 254 N CYS A 19 4.815 0.424 6.814 1.00 0.00 N ATOM 255 CA CYS A 19 5.831 -0.577 6.512 1.00 0.00 C ATOM 256 C CYS A 19 6.324 -1.253 7.789 1.00 0.00 C ATOM 257 O CYS A 19 6.111 -0.751 8.892 1.00 0.00 O ATOM 258 CB CYS A 19 7.008 0.066 5.776 1.00 0.00 C ATOM 259 SG CYS A 19 8.150 -1.130 5.011 1.00 0.00 S ATOM 0 H CYS A 19 5.085 1.381 6.585 1.00 0.00 H new ATOM 0 HA CYS A 19 5.380 -1.334 5.871 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.620 0.728 5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.565 0.687 6.477 1.00 0.00 H new ATOM 264 N VAL A 20 6.985 -2.395 7.630 1.00 0.00 N ATOM 265 CA VAL A 20 7.510 -3.139 8.768 1.00 0.00 C ATOM 266 C VAL A 20 8.753 -2.466 9.340 1.00 0.00 C ATOM 267 O VAL A 20 8.916 -2.369 10.556 1.00 0.00 O ATOM 268 CB VAL A 20 7.858 -4.588 8.378 1.00 0.00 C ATOM 269 CG1 VAL A 20 6.602 -5.354 7.992 1.00 0.00 C ATOM 270 CG2 VAL A 20 8.873 -4.606 7.245 1.00 0.00 C ATOM 0 H VAL A 20 7.170 -2.825 6.724 1.00 0.00 H new ATOM 0 HA VAL A 20 6.727 -3.152 9.526 1.00 0.00 H new ATOM 0 HB VAL A 20 8.304 -5.081 9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.868 -6.375 7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.913 -5.371 8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.124 -4.865 7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.107 -5.638 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.457 -4.096 6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.783 -4.097 7.563 1.00 0.00 H new ATOM 280 N CYS A 21 9.627 -2.000 8.454 1.00 0.00 N ATOM 281 CA CYS A 21 10.856 -1.335 8.869 1.00 0.00 C ATOM 282 C CYS A 21 10.583 -0.342 9.996 1.00 0.00 C ATOM 283 O CYS A 21 11.447 -0.085 10.833 1.00 0.00 O ATOM 284 CB CYS A 21 11.496 -0.613 7.682 1.00 0.00 C ATOM 285 SG CYS A 21 10.499 0.764 7.024 1.00 0.00 S ATOM 0 H CYS A 21 9.507 -2.071 7.444 1.00 0.00 H new ATOM 0 HA CYS A 21 11.545 -2.095 9.237 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.470 -0.230 7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.672 -1.334 6.884 1.00 0.00 H new ATOM 290 N GLY A 22 9.375 0.213 10.008 1.00 0.00 N ATOM 291 CA GLY A 22 9.010 1.170 11.036 1.00 0.00 C ATOM 292 C GLY A 22 9.585 2.548 10.775 1.00 0.00 C ATOM 293 O GLY A 22 9.901 3.283 11.710 1.00 0.00 O ATOM 0 H GLY A 22 8.643 0.017 9.325 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.924 1.238 11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.360 0.811 12.004 1.00 0.00 H new ATOM 297 N ASN A 23 9.724 2.899 9.501 1.00 0.00 N ATOM 298 CA ASN A 23 10.268 4.197 9.120 1.00 0.00 C ATOM 299 C ASN A 23 9.172 5.106 8.570 1.00 0.00 C ATOM 300 O ASN A 23 8.841 5.050 7.385 1.00 0.00 O ATOM 301 CB ASN A 23 11.374 4.024 8.077 1.00 0.00 C ATOM 302 CG ASN A 23 12.615 3.370 8.653 1.00 0.00 C ATOM 303 OD1 ASN A 23 12.526 2.400 9.406 1.00 0.00 O ATOM 304 ND2 ASN A 23 13.780 3.899 8.300 1.00 0.00 N ATOM 0 H ASN A 23 9.467 2.302 8.715 1.00 0.00 H new ATOM 0 HA ASN A 23 10.688 4.663 10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.999 3.420 7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.638 4.999 7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.649 3.501 8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.806 4.703 7.673 1.00 0.00 H new ATOM 311 N SER A 24 8.614 5.943 9.438 1.00 0.00 N ATOM 312 CA SER A 24 7.554 6.862 9.041 1.00 0.00 C ATOM 313 C SER A 24 7.886 7.531 7.711 1.00 0.00 C ATOM 314 O SER A 24 6.992 7.895 6.945 1.00 0.00 O ATOM 315 CB SER A 24 7.340 7.925 10.120 1.00 0.00 C ATOM 316 OG SER A 24 6.967 7.332 11.353 1.00 0.00 O ATOM 0 H SER A 24 8.878 6.004 10.421 1.00 0.00 H new ATOM 0 HA SER A 24 6.635 6.288 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.255 8.503 10.253 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.566 8.623 9.799 1.00 0.00 H new ATOM 0 HG SER A 24 6.838 8.032 12.027 1.00 0.00 H new ATOM 322 N LEU A 25 9.177 7.692 7.442 1.00 0.00 N ATOM 323 CA LEU A 25 9.629 8.318 6.204 1.00 0.00 C ATOM 324 C LEU A 25 8.989 7.650 4.991 1.00 0.00 C ATOM 325 O LEU A 25 8.509 6.520 5.074 1.00 0.00 O ATOM 326 CB LEU A 25 11.153 8.241 6.098 1.00 0.00 C ATOM 327 CG LEU A 25 11.730 6.886 5.688 1.00 0.00 C ATOM 328 CD1 LEU A 25 11.771 6.759 4.173 1.00 0.00 C ATOM 329 CD2 LEU A 25 13.119 6.697 6.279 1.00 0.00 C ATOM 0 H LEU A 25 9.929 7.398 8.065 1.00 0.00 H new ATOM 0 HA LEU A 25 9.324 9.364 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.485 8.988 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.579 8.518 7.063 1.00 0.00 H new ATOM 0 HG LEU A 25 11.081 6.103 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.185 5.788 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.761 6.848 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.397 7.549 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.514 5.727 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.779 7.486 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.061 6.742 7.367 1.00 0.00 H new ATOM 341 N GLU A 26 8.988 8.357 3.865 1.00 0.00 N ATOM 342 CA GLU A 26 8.408 7.831 2.635 1.00 0.00 C ATOM 343 C GLU A 26 9.137 8.380 1.412 1.00 0.00 C ATOM 344 O GLU A 26 9.624 9.511 1.420 1.00 0.00 O ATOM 345 CB GLU A 26 6.921 8.182 2.555 1.00 0.00 C ATOM 346 CG GLU A 26 6.656 9.654 2.284 1.00 0.00 C ATOM 347 CD GLU A 26 6.663 9.984 0.804 1.00 0.00 C ATOM 348 OE1 GLU A 26 5.692 9.615 0.110 1.00 0.00 O ATOM 349 OE2 GLU A 26 7.638 10.611 0.340 1.00 0.00 O ATOM 0 H GLU A 26 9.382 9.294 3.779 1.00 0.00 H new ATOM 0 HA GLU A 26 8.518 6.747 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.458 7.587 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.439 7.901 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.691 9.930 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.412 10.255 2.790 1.00 0.00 H new ATOM 356 N THR A 27 9.210 7.569 0.361 1.00 0.00 N ATOM 357 CA THR A 27 9.881 7.971 -0.869 1.00 0.00 C ATOM 358 C THR A 27 8.892 8.083 -2.024 1.00 0.00 C ATOM 359 O THR A 27 7.737 7.674 -1.906 1.00 0.00 O ATOM 360 CB THR A 27 10.992 6.976 -1.254 1.00 0.00 C ATOM 361 OG1 THR A 27 11.677 7.435 -2.425 1.00 0.00 O ATOM 362 CG2 THR A 27 10.414 5.592 -1.509 1.00 0.00 C ATOM 0 H THR A 27 8.813 6.630 0.337 1.00 0.00 H new ATOM 0 HA THR A 27 10.327 8.947 -0.681 1.00 0.00 H new ATOM 0 HB THR A 27 11.695 6.912 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.383 6.798 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.217 4.906 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.918 5.233 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.692 5.644 -2.324 1.00 0.00 H new ATOM 370 N ASP A 28 9.352 8.639 -3.139 1.00 0.00 N ATOM 371 CA ASP A 28 8.508 8.804 -4.316 1.00 0.00 C ATOM 372 C ASP A 28 8.383 7.491 -5.083 1.00 0.00 C ATOM 373 O ASP A 28 7.732 7.429 -6.126 1.00 0.00 O ATOM 374 CB ASP A 28 9.076 9.890 -5.230 1.00 0.00 C ATOM 375 CG ASP A 28 8.082 10.340 -6.283 1.00 0.00 C ATOM 376 OD1 ASP A 28 6.864 10.218 -6.038 1.00 0.00 O ATOM 377 OD2 ASP A 28 8.523 10.812 -7.352 1.00 0.00 O ATOM 0 H ASP A 28 10.305 8.983 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 28 7.515 9.105 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.376 10.748 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.975 9.515 -5.720 1.00 0.00 H new ATOM 382 N SER A 29 9.013 6.444 -4.559 1.00 0.00 N ATOM 383 CA SER A 29 8.976 5.133 -5.197 1.00 0.00 C ATOM 384 C SER A 29 8.520 4.062 -4.211 1.00 0.00 C ATOM 385 O SER A 29 9.336 3.433 -3.539 1.00 0.00 O ATOM 386 CB SER A 29 10.356 4.775 -5.754 1.00 0.00 C ATOM 387 OG SER A 29 10.891 5.843 -6.516 1.00 0.00 O ATOM 0 H SER A 29 9.555 6.478 -3.695 1.00 0.00 H new ATOM 0 HA SER A 29 8.260 5.175 -6.018 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.032 4.535 -4.933 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.281 3.883 -6.376 1.00 0.00 H new ATOM 0 HG SER A 29 11.773 5.590 -6.859 1.00 0.00 H new ATOM 393 N MET A 30 7.208 3.860 -4.132 1.00 0.00 N ATOM 394 CA MET A 30 6.642 2.864 -3.229 1.00 0.00 C ATOM 395 C MET A 30 5.423 2.194 -3.855 1.00 0.00 C ATOM 396 O MET A 30 4.941 2.619 -4.905 1.00 0.00 O ATOM 397 CB MET A 30 6.256 3.512 -1.898 1.00 0.00 C ATOM 398 CG MET A 30 7.441 3.774 -0.983 1.00 0.00 C ATOM 399 SD MET A 30 7.039 3.536 0.759 1.00 0.00 S ATOM 400 CE MET A 30 6.316 5.125 1.160 1.00 0.00 C ATOM 0 H MET A 30 6.518 4.372 -4.682 1.00 0.00 H new ATOM 0 HA MET A 30 7.400 2.102 -3.047 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.746 4.454 -2.097 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.545 2.867 -1.382 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.261 3.110 -1.257 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.794 4.794 -1.134 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.212 5.215 2.241 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.961 5.922 0.790 1.00 0.00 H new ATOM 0 HE3 MET A 30 5.334 5.206 0.693 1.00 0.00 H new ATOM 410 N ILE A 31 4.930 1.146 -3.204 1.00 0.00 N ATOM 411 CA ILE A 31 3.767 0.419 -3.697 1.00 0.00 C ATOM 412 C ILE A 31 2.613 0.489 -2.703 1.00 0.00 C ATOM 413 O ILE A 31 2.801 0.289 -1.503 1.00 0.00 O ATOM 414 CB ILE A 31 4.102 -1.058 -3.974 1.00 0.00 C ATOM 415 CG1 ILE A 31 4.633 -1.730 -2.706 1.00 0.00 C ATOM 416 CG2 ILE A 31 5.116 -1.168 -5.102 1.00 0.00 C ATOM 417 CD1 ILE A 31 4.905 -3.208 -2.874 1.00 0.00 C ATOM 0 H ILE A 31 5.318 0.781 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 31 3.469 0.897 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 31 3.190 -1.571 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.553 -1.232 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.911 -1.591 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.343 -2.218 -5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.704 -0.722 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.030 -0.643 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.279 -3.618 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.983 -3.718 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.650 -3.354 -3.656 1.00 0.00 H new ATOM 429 N GLN A 32 1.418 0.773 -3.211 1.00 0.00 N ATOM 430 CA GLN A 32 0.232 0.868 -2.367 1.00 0.00 C ATOM 431 C GLN A 32 -0.498 -0.469 -2.301 1.00 0.00 C ATOM 432 O GLN A 32 -0.442 -1.265 -3.239 1.00 0.00 O ATOM 433 CB GLN A 32 -0.710 1.952 -2.894 1.00 0.00 C ATOM 434 CG GLN A 32 -1.863 2.266 -1.955 1.00 0.00 C ATOM 435 CD GLN A 32 -2.724 3.411 -2.449 1.00 0.00 C ATOM 436 OE1 GLN A 32 -2.955 3.555 -3.650 1.00 0.00 O ATOM 437 NE2 GLN A 32 -3.203 4.234 -1.524 1.00 0.00 N ATOM 0 H GLN A 32 1.245 0.941 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 32 0.554 1.135 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.139 2.863 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.112 1.635 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.482 1.377 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.467 2.513 -0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.986 4.077 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.788 5.024 -1.797 1.00 0.00 H new ATOM 446 N CYS A 33 -1.183 -0.710 -1.188 1.00 0.00 N ATOM 447 CA CYS A 33 -1.924 -1.951 -0.999 1.00 0.00 C ATOM 448 C CYS A 33 -3.195 -1.959 -1.843 1.00 0.00 C ATOM 449 O CYS A 33 -4.024 -1.055 -1.741 1.00 0.00 O ATOM 450 CB CYS A 33 -2.277 -2.138 0.478 1.00 0.00 C ATOM 451 SG CYS A 33 -2.563 -3.872 0.959 1.00 0.00 S ATOM 0 H CYS A 33 -1.240 -0.061 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.290 -2.777 -1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.470 -1.731 1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.171 -1.557 0.703 1.00 0.00 H new ATOM 456 N GLU A 34 -3.341 -2.986 -2.674 1.00 0.00 N ATOM 457 CA GLU A 34 -4.511 -3.111 -3.535 1.00 0.00 C ATOM 458 C GLU A 34 -5.797 -2.927 -2.736 1.00 0.00 C ATOM 459 O GLU A 34 -6.745 -2.294 -3.201 1.00 0.00 O ATOM 460 CB GLU A 34 -4.519 -4.475 -4.228 1.00 0.00 C ATOM 461 CG GLU A 34 -5.763 -4.727 -5.063 1.00 0.00 C ATOM 462 CD GLU A 34 -5.753 -3.961 -6.372 1.00 0.00 C ATOM 463 OE1 GLU A 34 -5.398 -2.764 -6.356 1.00 0.00 O ATOM 464 OE2 GLU A 34 -6.099 -4.560 -7.411 1.00 0.00 O ATOM 0 H GLU A 34 -2.664 -3.743 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.458 -2.328 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.640 -4.553 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.434 -5.257 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.846 -5.794 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.645 -4.445 -4.488 1.00 0.00 H new ATOM 471 N ASP A 35 -5.822 -3.484 -1.530 1.00 0.00 N ATOM 472 CA ASP A 35 -6.991 -3.382 -0.664 1.00 0.00 C ATOM 473 C ASP A 35 -7.365 -1.922 -0.427 1.00 0.00 C ATOM 474 O ASP A 35 -6.515 -1.074 -0.157 1.00 0.00 O ATOM 475 CB ASP A 35 -6.725 -4.077 0.672 1.00 0.00 C ATOM 476 CG ASP A 35 -7.091 -5.548 0.643 1.00 0.00 C ATOM 477 OD1 ASP A 35 -8.285 -5.857 0.449 1.00 0.00 O ATOM 478 OD2 ASP A 35 -6.184 -6.389 0.815 1.00 0.00 O ATOM 0 H ASP A 35 -5.046 -4.011 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.826 -3.876 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.671 -3.973 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.295 -3.579 1.457 1.00 0.00 H new ATOM 483 N PRO A 36 -8.668 -1.621 -0.530 1.00 0.00 N ATOM 484 CA PRO A 36 -9.185 -0.264 -0.331 1.00 0.00 C ATOM 485 C PRO A 36 -9.097 0.183 1.125 1.00 0.00 C ATOM 486 O PRO A 36 -8.599 1.269 1.422 1.00 0.00 O ATOM 487 CB PRO A 36 -10.648 -0.373 -0.769 1.00 0.00 C ATOM 488 CG PRO A 36 -10.996 -1.808 -0.570 1.00 0.00 C ATOM 489 CD PRO A 36 -9.737 -2.582 -0.848 1.00 0.00 C ATOM 0 HA PRO A 36 -8.612 0.476 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.289 0.276 -0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.773 -0.076 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.348 -1.987 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.798 -2.112 -1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.670 -3.477 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.687 -2.909 -1.887 1.00 0.00 H new ATOM 497 N ARG A 37 -9.582 -0.663 2.028 1.00 0.00 N ATOM 498 CA ARG A 37 -9.558 -0.355 3.453 1.00 0.00 C ATOM 499 C ARG A 37 -8.130 -0.109 3.932 1.00 0.00 C ATOM 500 O ARG A 37 -7.878 0.795 4.730 1.00 0.00 O ATOM 501 CB ARG A 37 -10.187 -1.496 4.254 1.00 0.00 C ATOM 502 CG ARG A 37 -9.556 -2.852 3.981 1.00 0.00 C ATOM 503 CD ARG A 37 -10.243 -3.955 4.770 1.00 0.00 C ATOM 504 NE ARG A 37 -9.386 -5.125 4.935 1.00 0.00 N ATOM 505 CZ ARG A 37 -8.267 -5.121 5.651 1.00 0.00 C ATOM 506 NH1 ARG A 37 -7.873 -4.014 6.265 1.00 0.00 N ATOM 507 NH2 ARG A 37 -7.540 -6.226 5.755 1.00 0.00 N ATOM 0 H ARG A 37 -9.996 -1.566 1.798 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.138 0.554 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.101 -1.272 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.251 -1.547 4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.615 -3.074 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.498 -2.821 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.530 -3.575 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.161 -4.247 4.260 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.661 -5.993 4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.429 -3.163 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.013 -4.014 6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.840 -7.080 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.681 -6.221 6.305 1.00 0.00 H new ATOM 521 N CYS A 38 -7.199 -0.920 3.442 1.00 0.00 N ATOM 522 CA CYS A 38 -5.797 -0.793 3.820 1.00 0.00 C ATOM 523 C CYS A 38 -5.165 0.430 3.161 1.00 0.00 C ATOM 524 O CYS A 38 -4.831 1.407 3.832 1.00 0.00 O ATOM 525 CB CYS A 38 -5.024 -2.054 3.427 1.00 0.00 C ATOM 526 SG CYS A 38 -3.570 -2.390 4.470 1.00 0.00 S ATOM 0 H CYS A 38 -7.391 -1.673 2.781 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.748 -0.668 4.902 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.698 -2.910 3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.700 -1.961 2.390 1.00 0.00 H new ATOM 531 N HIS A 39 -5.004 0.369 1.843 1.00 0.00 N ATOM 532 CA HIS A 39 -4.413 1.471 1.093 1.00 0.00 C ATOM 533 C HIS A 39 -3.156 1.989 1.787 1.00 0.00 C ATOM 534 O HIS A 39 -2.925 3.196 1.856 1.00 0.00 O ATOM 535 CB HIS A 39 -5.424 2.606 0.931 1.00 0.00 C ATOM 536 CG HIS A 39 -6.277 2.479 -0.294 1.00 0.00 C ATOM 537 ND1 HIS A 39 -7.449 3.183 -0.471 1.00 0.00 N ATOM 538 CD2 HIS A 39 -6.120 1.724 -1.406 1.00 0.00 C ATOM 539 CE1 HIS A 39 -7.978 2.865 -1.640 1.00 0.00 C ATOM 540 NE2 HIS A 39 -7.191 1.982 -2.227 1.00 0.00 N ATOM 0 H HIS A 39 -5.275 -0.432 1.272 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.135 1.098 0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.068 2.636 1.810 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.889 3.555 0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.305 1.045 -1.610 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.897 3.260 -2.046 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.352 1.560 -3.142 1.00 0.00 H new ATOM 549 N VAL A 40 -2.348 1.068 2.302 1.00 0.00 N ATOM 550 CA VAL A 40 -1.115 1.431 2.991 1.00 0.00 C ATOM 551 C VAL A 40 0.077 1.391 2.041 1.00 0.00 C ATOM 552 O VAL A 40 0.089 0.628 1.075 1.00 0.00 O ATOM 553 CB VAL A 40 -0.841 0.493 4.181 1.00 0.00 C ATOM 554 CG1 VAL A 40 -2.060 0.409 5.087 1.00 0.00 C ATOM 555 CG2 VAL A 40 -0.435 -0.888 3.689 1.00 0.00 C ATOM 0 H VAL A 40 -2.525 0.065 2.255 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.246 2.448 3.362 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.015 0.903 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.847 -0.258 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.299 1.402 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.908 0.023 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.245 -1.537 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.238 -1.309 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.470 -0.808 3.086 1.00 0.00 H new ATOM 565 N TRP A 41 1.078 2.217 2.322 1.00 0.00 N ATOM 566 CA TRP A 41 2.276 2.276 1.493 1.00 0.00 C ATOM 567 C TRP A 41 3.382 1.400 2.071 1.00 0.00 C ATOM 568 O TRP A 41 3.527 1.292 3.288 1.00 0.00 O ATOM 569 CB TRP A 41 2.765 3.720 1.369 1.00 0.00 C ATOM 570 CG TRP A 41 1.855 4.587 0.552 1.00 0.00 C ATOM 571 CD1 TRP A 41 0.685 5.161 0.961 1.00 0.00 C ATOM 572 CD2 TRP A 41 2.041 4.978 -0.813 1.00 0.00 C ATOM 573 NE1 TRP A 41 0.132 5.884 -0.069 1.00 0.00 N ATOM 574 CE2 TRP A 41 0.945 5.788 -1.167 1.00 0.00 C ATOM 575 CE3 TRP A 41 3.027 4.723 -1.769 1.00 0.00 C ATOM 576 CZ2 TRP A 41 0.809 6.343 -2.437 1.00 0.00 C ATOM 577 CZ3 TRP A 41 2.891 5.274 -3.029 1.00 0.00 C ATOM 578 CH2 TRP A 41 1.790 6.077 -3.354 1.00 0.00 C ATOM 0 H TRP A 41 1.084 2.855 3.118 1.00 0.00 H new ATOM 0 HA TRP A 41 2.021 1.900 0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.865 4.149 2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.758 3.723 0.919 1.00 0.00 H new ATOM 0 HD1 TRP A 41 0.258 5.062 1.948 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -0.742 6.407 -0.023 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.880 4.106 -1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.040 6.961 -2.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.647 5.082 -3.776 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.714 6.494 -4.347 1.00 0.00 H new ATOM 589 N GLN A 42 4.158 0.777 1.190 1.00 0.00 N ATOM 590 CA GLN A 42 5.251 -0.090 1.615 1.00 0.00 C ATOM 591 C GLN A 42 6.470 0.089 0.716 1.00 0.00 C ATOM 592 O GLN A 42 6.400 -0.131 -0.493 1.00 0.00 O ATOM 593 CB GLN A 42 4.804 -1.553 1.602 1.00 0.00 C ATOM 594 CG GLN A 42 3.564 -1.818 2.441 1.00 0.00 C ATOM 595 CD GLN A 42 3.880 -1.979 3.915 1.00 0.00 C ATOM 596 OE1 GLN A 42 3.354 -1.251 4.757 1.00 0.00 O ATOM 597 NE2 GLN A 42 4.742 -2.936 4.234 1.00 0.00 N ATOM 0 H GLN A 42 4.050 0.856 0.179 1.00 0.00 H new ATOM 0 HA GLN A 42 5.528 0.189 2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.608 -1.855 0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.620 -2.177 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.860 -0.996 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.071 -2.720 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.154 -3.516 3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.993 -3.092 5.210 1.00 0.00 H new ATOM 606 N HIS A 43 7.587 0.491 1.315 1.00 0.00 N ATOM 607 CA HIS A 43 8.822 0.700 0.568 1.00 0.00 C ATOM 608 C HIS A 43 9.112 -0.488 -0.345 1.00 0.00 C ATOM 609 O HIS A 43 9.016 -1.642 0.072 1.00 0.00 O ATOM 610 CB HIS A 43 9.992 0.919 1.527 1.00 0.00 C ATOM 611 CG HIS A 43 9.885 2.183 2.324 1.00 0.00 C ATOM 612 ND1 HIS A 43 9.879 2.206 3.702 1.00 0.00 N ATOM 613 CD2 HIS A 43 9.781 3.473 1.927 1.00 0.00 C ATOM 614 CE1 HIS A 43 9.774 3.455 4.120 1.00 0.00 C ATOM 615 NE2 HIS A 43 9.713 4.244 3.062 1.00 0.00 N ATOM 0 H HIS A 43 7.662 0.678 2.315 1.00 0.00 H new ATOM 0 HA HIS A 43 8.698 1.589 -0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.054 0.072 2.211 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.920 0.937 0.956 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.756 3.830 0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.743 3.776 5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.629 5.260 3.084 1.00 0.00 H new ATOM 623 N VAL A 44 9.468 -0.197 -1.592 1.00 0.00 N ATOM 624 CA VAL A 44 9.773 -1.240 -2.563 1.00 0.00 C ATOM 625 C VAL A 44 10.931 -2.111 -2.089 1.00 0.00 C ATOM 626 O VAL A 44 10.907 -3.331 -2.243 1.00 0.00 O ATOM 627 CB VAL A 44 10.124 -0.641 -3.938 1.00 0.00 C ATOM 628 CG1 VAL A 44 10.724 -1.704 -4.846 1.00 0.00 C ATOM 629 CG2 VAL A 44 8.893 -0.016 -4.577 1.00 0.00 C ATOM 0 H VAL A 44 9.552 0.753 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 44 8.877 -1.854 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 44 10.868 0.142 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.966 -1.262 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.632 -2.101 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.005 -2.511 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.160 0.402 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.125 -0.778 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.511 0.776 -3.933 1.00 0.00 H new ATOM 639 N GLY A 45 11.945 -1.474 -1.512 1.00 0.00 N ATOM 640 CA GLY A 45 13.099 -2.206 -1.023 1.00 0.00 C ATOM 641 C GLY A 45 12.889 -2.754 0.374 1.00 0.00 C ATOM 642 O GLY A 45 13.845 -2.928 1.131 1.00 0.00 O ATOM 0 H GLY A 45 11.988 -0.464 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.318 -3.029 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.969 -1.550 -1.025 1.00 0.00 H new ATOM 646 N CYS A 46 11.635 -3.024 0.720 1.00 0.00 N ATOM 647 CA CYS A 46 11.301 -3.553 2.037 1.00 0.00 C ATOM 648 C CYS A 46 10.486 -4.837 1.917 1.00 0.00 C ATOM 649 O CYS A 46 10.678 -5.782 2.682 1.00 0.00 O ATOM 650 CB CYS A 46 10.520 -2.514 2.844 1.00 0.00 C ATOM 651 SG CYS A 46 11.569 -1.397 3.829 1.00 0.00 S ATOM 0 H CYS A 46 10.832 -2.885 0.106 1.00 0.00 H new ATOM 0 HA CYS A 46 12.232 -3.782 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.915 -1.918 2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.831 -3.031 3.512 1.00 0.00 H new ATOM 656 N VAL A 47 9.574 -4.865 0.949 1.00 0.00 N ATOM 657 CA VAL A 47 8.730 -6.033 0.727 1.00 0.00 C ATOM 658 C VAL A 47 9.060 -6.704 -0.601 1.00 0.00 C ATOM 659 O VAL A 47 9.305 -7.910 -0.655 1.00 0.00 O ATOM 660 CB VAL A 47 7.237 -5.657 0.743 1.00 0.00 C ATOM 661 CG1 VAL A 47 6.826 -5.160 2.121 1.00 0.00 C ATOM 662 CG2 VAL A 47 6.939 -4.611 -0.320 1.00 0.00 C ATOM 0 H VAL A 47 9.401 -4.092 0.306 1.00 0.00 H new ATOM 0 HA VAL A 47 8.930 -6.729 1.542 1.00 0.00 H new ATOM 0 HB VAL A 47 6.654 -6.549 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.768 -4.899 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.001 -5.944 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.415 -4.280 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.879 -4.357 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.531 -3.716 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.193 -5.008 -1.303 1.00 0.00 H new ATOM 672 N ILE A 48 9.064 -5.916 -1.671 1.00 0.00 N ATOM 673 CA ILE A 48 9.365 -6.434 -3.000 1.00 0.00 C ATOM 674 C ILE A 48 10.729 -7.116 -3.028 1.00 0.00 C ATOM 675 O ILE A 48 11.761 -6.459 -3.174 1.00 0.00 O ATOM 676 CB ILE A 48 9.341 -5.316 -4.059 1.00 0.00 C ATOM 677 CG1 ILE A 48 8.011 -4.561 -4.005 1.00 0.00 C ATOM 678 CG2 ILE A 48 9.570 -5.896 -5.447 1.00 0.00 C ATOM 679 CD1 ILE A 48 6.806 -5.442 -4.248 1.00 0.00 C ATOM 0 H ILE A 48 8.862 -4.917 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 48 8.591 -7.164 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 48 10.146 -4.613 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.912 -4.085 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.024 -3.764 -4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.550 -5.094 -6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.539 -6.394 -5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.785 -6.617 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.899 -4.840 -4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.882 -5.898 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.768 -6.224 -3.489 1.00 0.00 H new ATOM 691 N LEU A 49 10.727 -8.437 -2.889 1.00 0.00 N ATOM 692 CA LEU A 49 11.964 -9.209 -2.900 1.00 0.00 C ATOM 693 C LEU A 49 12.487 -9.380 -4.323 1.00 0.00 C ATOM 694 O LEU A 49 13.574 -8.916 -4.670 1.00 0.00 O ATOM 695 CB LEU A 49 11.738 -10.581 -2.260 1.00 0.00 C ATOM 696 CG LEU A 49 12.565 -11.733 -2.832 1.00 0.00 C ATOM 697 CD1 LEU A 49 14.018 -11.614 -2.398 1.00 0.00 C ATOM 698 CD2 LEU A 49 11.985 -13.071 -2.400 1.00 0.00 C ATOM 0 H LEU A 49 9.882 -8.996 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 49 12.709 -8.663 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.951 -10.502 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.682 -10.835 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 49 12.527 -11.678 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.591 -12.442 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.429 -10.671 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.076 -11.643 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.586 -13.879 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.992 -13.136 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.960 -13.157 -2.762 1.00 0.00 H new ATOM 710 N PRO A 50 11.696 -10.058 -5.167 1.00 0.00 N ATOM 711 CA PRO A 50 12.057 -10.302 -6.567 1.00 0.00 C ATOM 712 C PRO A 50 12.025 -9.028 -7.404 1.00 0.00 C ATOM 713 O PRO A 50 11.217 -8.133 -7.159 1.00 0.00 O ATOM 714 CB PRO A 50 10.983 -11.283 -7.044 1.00 0.00 C ATOM 715 CG PRO A 50 9.815 -11.028 -6.155 1.00 0.00 C ATOM 716 CD PRO A 50 10.388 -10.638 -4.820 1.00 0.00 C ATOM 0 HA PRO A 50 13.074 -10.681 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.729 -11.113 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.325 -12.315 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.185 -10.234 -6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.190 -11.917 -6.067 1.00 0.00 H new ATOM 0 HD2 PRO A 50 9.753 -9.917 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.493 -11.499 -4.160 1.00 0.00 H new ATOM 724 N ASP A 51 12.908 -8.955 -8.394 1.00 0.00 N ATOM 725 CA ASP A 51 12.979 -7.791 -9.270 1.00 0.00 C ATOM 726 C ASP A 51 12.426 -8.117 -10.654 1.00 0.00 C ATOM 727 O ASP A 51 13.157 -8.108 -11.644 1.00 0.00 O ATOM 728 CB ASP A 51 14.423 -7.301 -9.386 1.00 0.00 C ATOM 729 CG ASP A 51 15.054 -7.030 -8.035 1.00 0.00 C ATOM 730 OD1 ASP A 51 15.654 -7.964 -7.461 1.00 0.00 O ATOM 731 OD2 ASP A 51 14.948 -5.884 -7.550 1.00 0.00 O ATOM 0 H ASP A 51 13.584 -9.688 -8.610 1.00 0.00 H new ATOM 0 HA ASP A 51 12.369 -7.000 -8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.015 -8.047 -9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.447 -6.390 -9.984 1.00 0.00 H new ATOM 736 N LYS A 52 11.131 -8.406 -10.714 1.00 0.00 N ATOM 737 CA LYS A 52 10.478 -8.735 -11.976 1.00 0.00 C ATOM 738 C LYS A 52 10.497 -7.542 -12.926 1.00 0.00 C ATOM 739 O LYS A 52 11.044 -7.603 -14.027 1.00 0.00 O ATOM 740 CB LYS A 52 9.035 -9.179 -11.726 1.00 0.00 C ATOM 741 CG LYS A 52 8.876 -10.684 -11.590 1.00 0.00 C ATOM 742 CD LYS A 52 7.412 -11.087 -11.534 1.00 0.00 C ATOM 743 CE LYS A 52 6.860 -11.373 -12.922 1.00 0.00 C ATOM 744 NZ LYS A 52 7.190 -12.752 -13.377 1.00 0.00 N ATOM 0 H LYS A 52 10.512 -8.419 -9.903 1.00 0.00 H new ATOM 0 HA LYS A 52 11.029 -9.554 -12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.669 -8.700 -10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.409 -8.829 -12.546 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.359 -11.179 -12.432 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.383 -11.024 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.301 -11.972 -10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.832 -10.291 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.778 -11.242 -12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.265 -10.650 -13.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.796 -12.908 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.223 -12.870 -13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.782 -13.443 -12.716 1.00 0.00 H new ATOM 758 N PRO A 53 9.887 -6.429 -12.492 1.00 0.00 N ATOM 759 CA PRO A 53 9.822 -5.200 -13.288 1.00 0.00 C ATOM 760 C PRO A 53 11.181 -4.522 -13.419 1.00 0.00 C ATOM 761 O PRO A 53 11.513 -3.972 -14.469 1.00 0.00 O ATOM 762 CB PRO A 53 8.856 -4.315 -12.496 1.00 0.00 C ATOM 763 CG PRO A 53 8.956 -4.807 -11.093 1.00 0.00 C ATOM 764 CD PRO A 53 9.214 -6.285 -11.190 1.00 0.00 C ATOM 0 HA PRO A 53 9.502 -5.394 -14.312 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.133 -3.263 -12.568 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.838 -4.403 -12.875 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.763 -4.304 -10.560 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.037 -4.607 -10.543 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.842 -6.638 -10.372 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.288 -6.858 -11.151 1.00 0.00 H new ATOM 772 N MET A 54 11.965 -4.565 -12.346 1.00 0.00 N ATOM 773 CA MET A 54 13.289 -3.955 -12.342 1.00 0.00 C ATOM 774 C MET A 54 13.203 -2.464 -12.653 1.00 0.00 C ATOM 775 O MET A 54 14.020 -1.928 -13.401 1.00 0.00 O ATOM 776 CB MET A 54 14.196 -4.648 -13.361 1.00 0.00 C ATOM 777 CG MET A 54 14.940 -5.847 -12.796 1.00 0.00 C ATOM 778 SD MET A 54 16.549 -5.408 -12.113 1.00 0.00 S ATOM 779 CE MET A 54 17.479 -5.093 -13.611 1.00 0.00 C ATOM 0 H MET A 54 11.706 -5.016 -11.469 1.00 0.00 H new ATOM 0 HA MET A 54 13.714 -4.076 -11.345 1.00 0.00 H new ATOM 0 HB2 MET A 54 13.594 -4.971 -14.210 1.00 0.00 H new ATOM 0 HB3 MET A 54 14.920 -3.927 -13.740 1.00 0.00 H new ATOM 0 HG2 MET A 54 14.334 -6.312 -12.018 1.00 0.00 H new ATOM 0 HG3 MET A 54 15.074 -6.590 -13.582 1.00 0.00 H new ATOM 0 HE1 MET A 54 18.546 -5.142 -13.394 1.00 0.00 H new ATOM 0 HE2 MET A 54 17.226 -5.843 -14.361 1.00 0.00 H new ATOM 0 HE3 MET A 54 17.232 -4.102 -13.991 1.00 0.00 H new ATOM 789 N ASP A 55 12.207 -1.801 -12.075 1.00 0.00 N ATOM 790 CA ASP A 55 12.015 -0.372 -12.289 1.00 0.00 C ATOM 791 C ASP A 55 11.906 -0.056 -13.778 1.00 0.00 C ATOM 792 O ASP A 55 12.445 0.944 -14.252 1.00 0.00 O ATOM 793 CB ASP A 55 13.168 0.419 -11.670 1.00 0.00 C ATOM 794 CG ASP A 55 13.152 0.375 -10.155 1.00 0.00 C ATOM 795 OD1 ASP A 55 12.360 1.126 -9.548 1.00 0.00 O ATOM 796 OD2 ASP A 55 13.933 -0.409 -9.575 1.00 0.00 O ATOM 0 H ASP A 55 11.521 -2.231 -11.455 1.00 0.00 H new ATOM 0 HA ASP A 55 11.084 -0.079 -11.804 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.115 0.019 -12.032 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.112 1.456 -12.001 1.00 0.00 H new ATOM 801 N GLY A 56 11.206 -0.916 -14.511 1.00 0.00 N ATOM 802 CA GLY A 56 11.040 -0.711 -15.938 1.00 0.00 C ATOM 803 C GLY A 56 9.686 -1.174 -16.437 1.00 0.00 C ATOM 804 O GLY A 56 8.658 -0.875 -15.830 1.00 0.00 O ATOM 0 H GLY A 56 10.751 -1.751 -14.142 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.166 0.347 -16.167 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.824 -1.248 -16.473 1.00 0.00 H new ATOM 808 N ASN A 57 9.684 -1.904 -17.548 1.00 0.00 N ATOM 809 CA ASN A 57 8.444 -2.407 -18.129 1.00 0.00 C ATOM 810 C ASN A 57 8.522 -3.914 -18.355 1.00 0.00 C ATOM 811 O ASN A 57 9.463 -4.429 -18.958 1.00 0.00 O ATOM 812 CB ASN A 57 8.153 -1.696 -19.452 1.00 0.00 C ATOM 813 CG ASN A 57 9.176 -2.024 -20.523 1.00 0.00 C ATOM 814 OD1 ASN A 57 9.158 -3.109 -21.103 1.00 0.00 O ATOM 815 ND2 ASN A 57 10.075 -1.084 -20.788 1.00 0.00 N ATOM 0 H ASN A 57 10.526 -2.160 -18.063 1.00 0.00 H new ATOM 0 HA ASN A 57 7.634 -2.204 -17.429 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.161 -1.979 -19.803 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.137 -0.619 -19.286 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.789 -1.247 -21.498 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.052 -0.199 -20.282 1.00 0.00 H new ATOM 822 N PRO A 58 7.507 -4.639 -17.860 1.00 0.00 N ATOM 823 CA PRO A 58 6.381 -4.037 -17.140 1.00 0.00 C ATOM 824 C PRO A 58 6.789 -3.495 -15.775 1.00 0.00 C ATOM 825 O PRO A 58 7.636 -4.061 -15.083 1.00 0.00 O ATOM 826 CB PRO A 58 5.398 -5.200 -16.983 1.00 0.00 C ATOM 827 CG PRO A 58 6.248 -6.423 -17.031 1.00 0.00 C ATOM 828 CD PRO A 58 7.382 -6.102 -17.965 1.00 0.00 C ATOM 0 HA PRO A 58 5.967 -3.181 -17.673 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.853 -5.133 -16.041 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.656 -5.202 -17.781 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.620 -6.679 -16.039 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.678 -7.281 -17.389 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.302 -6.606 -17.668 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.162 -6.414 -18.986 1.00 0.00 H new ATOM 836 N PRO A 59 6.173 -2.373 -15.374 1.00 0.00 N ATOM 837 CA PRO A 59 6.456 -1.731 -14.087 1.00 0.00 C ATOM 838 C PRO A 59 5.944 -2.549 -12.907 1.00 0.00 C ATOM 839 O PRO A 59 5.410 -3.645 -13.083 1.00 0.00 O ATOM 840 CB PRO A 59 5.705 -0.401 -14.182 1.00 0.00 C ATOM 841 CG PRO A 59 4.607 -0.654 -15.156 1.00 0.00 C ATOM 842 CD PRO A 59 5.154 -1.644 -16.147 1.00 0.00 C ATOM 0 HA PRO A 59 7.526 -1.620 -13.913 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.311 -0.099 -13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.360 0.400 -14.524 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.724 -1.051 -14.655 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.305 0.268 -15.652 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.377 -2.312 -16.518 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.588 -1.146 -17.015 1.00 0.00 H new ATOM 850 N LEU A 60 6.111 -2.011 -11.703 1.00 0.00 N ATOM 851 CA LEU A 60 5.665 -2.692 -10.493 1.00 0.00 C ATOM 852 C LEU A 60 4.261 -3.260 -10.673 1.00 0.00 C ATOM 853 O LEU A 60 3.427 -2.704 -11.388 1.00 0.00 O ATOM 854 CB LEU A 60 5.688 -1.728 -9.305 1.00 0.00 C ATOM 855 CG LEU A 60 4.709 -0.556 -9.372 1.00 0.00 C ATOM 856 CD1 LEU A 60 3.324 -0.990 -8.918 1.00 0.00 C ATOM 857 CD2 LEU A 60 5.209 0.606 -8.525 1.00 0.00 C ATOM 0 H LEU A 60 6.552 -1.106 -11.539 1.00 0.00 H new ATOM 0 HA LEU A 60 6.349 -3.518 -10.298 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.482 -2.296 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.697 -1.327 -9.208 1.00 0.00 H new ATOM 0 HG LEU A 60 4.642 -0.223 -10.408 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.641 -0.142 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.963 -1.789 -9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.374 -1.350 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.500 1.431 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.306 0.285 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.180 0.935 -8.895 1.00 0.00 H new ATOM 869 N PRO A 61 3.991 -4.394 -10.009 1.00 0.00 N ATOM 870 CA PRO A 61 2.688 -5.061 -10.078 1.00 0.00 C ATOM 871 C PRO A 61 1.594 -4.270 -9.369 1.00 0.00 C ATOM 872 O PRO A 61 1.736 -3.906 -8.203 1.00 0.00 O ATOM 873 CB PRO A 61 2.933 -6.393 -9.365 1.00 0.00 C ATOM 874 CG PRO A 61 4.073 -6.125 -8.443 1.00 0.00 C ATOM 875 CD PRO A 61 4.938 -5.112 -9.139 1.00 0.00 C ATOM 0 HA PRO A 61 2.340 -5.170 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.048 -6.717 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.176 -7.184 -10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.719 -5.744 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.631 -7.038 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.420 -4.440 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.731 -5.589 -9.715 1.00 0.00 H new ATOM 883 N GLU A 62 0.502 -4.009 -10.082 1.00 0.00 N ATOM 884 CA GLU A 62 -0.616 -3.261 -9.519 1.00 0.00 C ATOM 885 C GLU A 62 -1.231 -4.007 -8.339 1.00 0.00 C ATOM 886 O GLU A 62 -1.298 -3.485 -7.227 1.00 0.00 O ATOM 887 CB GLU A 62 -1.680 -3.009 -10.589 1.00 0.00 C ATOM 888 CG GLU A 62 -2.894 -2.254 -10.075 1.00 0.00 C ATOM 889 CD GLU A 62 -2.667 -0.756 -10.017 1.00 0.00 C ATOM 890 OE1 GLU A 62 -2.132 -0.199 -10.998 1.00 0.00 O ATOM 891 OE2 GLU A 62 -3.023 -0.140 -8.990 1.00 0.00 O ATOM 0 H GLU A 62 0.368 -4.304 -11.049 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.236 -2.304 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.233 -2.446 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.004 -3.965 -10.999 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.748 -2.464 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.149 -2.618 -9.080 1.00 0.00 H new ATOM 898 N SER A 63 -1.680 -5.233 -8.591 1.00 0.00 N ATOM 899 CA SER A 63 -2.295 -6.051 -7.552 1.00 0.00 C ATOM 900 C SER A 63 -1.256 -6.497 -6.527 1.00 0.00 C ATOM 901 O SER A 63 -0.534 -7.471 -6.742 1.00 0.00 O ATOM 902 CB SER A 63 -2.975 -7.273 -8.171 1.00 0.00 C ATOM 903 OG SER A 63 -4.223 -6.925 -8.746 1.00 0.00 O ATOM 0 H SER A 63 -1.629 -5.681 -9.506 1.00 0.00 H new ATOM 0 HA SER A 63 -3.046 -5.446 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.328 -7.706 -8.934 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.123 -8.037 -7.407 1.00 0.00 H new ATOM 0 HG SER A 63 -4.631 -6.199 -8.229 1.00 0.00 H new ATOM 909 N PHE A 64 -1.187 -5.777 -5.412 1.00 0.00 N ATOM 910 CA PHE A 64 -0.237 -6.097 -4.354 1.00 0.00 C ATOM 911 C PHE A 64 -0.910 -6.048 -2.985 1.00 0.00 C ATOM 912 O PHE A 64 -1.952 -5.413 -2.816 1.00 0.00 O ATOM 913 CB PHE A 64 0.944 -5.125 -4.389 1.00 0.00 C ATOM 914 CG PHE A 64 1.794 -5.169 -3.151 1.00 0.00 C ATOM 915 CD1 PHE A 64 2.705 -6.195 -2.955 1.00 0.00 C ATOM 916 CD2 PHE A 64 1.681 -4.185 -2.182 1.00 0.00 C ATOM 917 CE1 PHE A 64 3.488 -6.238 -1.817 1.00 0.00 C ATOM 918 CE2 PHE A 64 2.462 -4.223 -1.042 1.00 0.00 C ATOM 919 CZ PHE A 64 3.365 -5.251 -0.859 1.00 0.00 C ATOM 0 H PHE A 64 -1.778 -4.968 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 64 0.129 -7.110 -4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.566 -5.352 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.566 -4.112 -4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.804 -6.970 -3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.975 -3.379 -2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.195 -7.042 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.366 -3.449 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.974 -5.283 0.032 1.00 0.00 H new ATOM 929 N TYR A 65 -0.308 -6.722 -2.012 1.00 0.00 N ATOM 930 CA TYR A 65 -0.850 -6.758 -0.659 1.00 0.00 C ATOM 931 C TYR A 65 0.270 -6.789 0.377 1.00 0.00 C ATOM 932 O TYR A 65 1.088 -7.710 0.396 1.00 0.00 O ATOM 933 CB TYR A 65 -1.757 -7.977 -0.482 1.00 0.00 C ATOM 934 CG TYR A 65 -3.045 -7.892 -1.269 1.00 0.00 C ATOM 935 CD1 TYR A 65 -4.000 -6.927 -0.974 1.00 0.00 C ATOM 936 CD2 TYR A 65 -3.308 -8.777 -2.307 1.00 0.00 C ATOM 937 CE1 TYR A 65 -5.179 -6.846 -1.690 1.00 0.00 C ATOM 938 CE2 TYR A 65 -4.484 -8.703 -3.029 1.00 0.00 C ATOM 939 CZ TYR A 65 -5.416 -7.736 -2.717 1.00 0.00 C ATOM 940 OH TYR A 65 -6.588 -7.659 -3.433 1.00 0.00 O ATOM 0 H TYR A 65 0.555 -7.251 -2.135 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.436 -5.852 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.213 -8.871 -0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.994 -8.093 0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.818 -6.228 -0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.581 -9.536 -2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.911 -6.090 -1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.672 -9.399 -3.833 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.597 -8.357 -4.121 1.00 0.00 H new ATOM 950 N CYS A 66 0.300 -5.777 1.237 1.00 0.00 N ATOM 951 CA CYS A 66 1.319 -5.687 2.276 1.00 0.00 C ATOM 952 C CYS A 66 1.419 -6.995 3.055 1.00 0.00 C ATOM 953 O CYS A 66 0.692 -7.949 2.780 1.00 0.00 O ATOM 954 CB CYS A 66 1.001 -4.534 3.231 1.00 0.00 C ATOM 955 SG CYS A 66 -0.485 -4.801 4.250 1.00 0.00 S ATOM 0 H CYS A 66 -0.370 -5.008 1.235 1.00 0.00 H new ATOM 0 HA CYS A 66 2.278 -5.498 1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.856 -4.375 3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.871 -3.621 2.650 1.00 0.00 H new ATOM 960 N GLU A 67 2.324 -7.030 4.028 1.00 0.00 N ATOM 961 CA GLU A 67 2.519 -8.221 4.846 1.00 0.00 C ATOM 962 C GLU A 67 1.317 -8.460 5.755 1.00 0.00 C ATOM 963 O GLU A 67 1.103 -9.572 6.240 1.00 0.00 O ATOM 964 CB GLU A 67 3.790 -8.087 5.688 1.00 0.00 C ATOM 965 CG GLU A 67 3.717 -6.981 6.727 1.00 0.00 C ATOM 966 CD GLU A 67 3.157 -7.462 8.052 1.00 0.00 C ATOM 967 OE1 GLU A 67 2.538 -8.546 8.077 1.00 0.00 O ATOM 968 OE2 GLU A 67 3.338 -6.753 9.064 1.00 0.00 O ATOM 0 H GLU A 67 2.933 -6.248 4.269 1.00 0.00 H new ATOM 0 HA GLU A 67 2.623 -9.076 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.984 -9.034 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.636 -7.898 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.714 -6.570 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.095 -6.171 6.347 1.00 0.00 H new ATOM 975 N ILE A 68 0.536 -7.409 5.982 1.00 0.00 N ATOM 976 CA ILE A 68 -0.644 -7.504 6.832 1.00 0.00 C ATOM 977 C ILE A 68 -1.848 -8.011 6.046 1.00 0.00 C ATOM 978 O ILE A 68 -2.751 -8.634 6.605 1.00 0.00 O ATOM 979 CB ILE A 68 -0.994 -6.143 7.464 1.00 0.00 C ATOM 980 CG1 ILE A 68 0.221 -5.569 8.196 1.00 0.00 C ATOM 981 CG2 ILE A 68 -2.172 -6.288 8.415 1.00 0.00 C ATOM 982 CD1 ILE A 68 0.251 -4.057 8.224 1.00 0.00 C ATOM 0 H ILE A 68 0.699 -6.482 5.589 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.405 -8.213 7.625 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.276 -5.452 6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.229 -5.943 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.129 -5.934 7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.407 -5.318 8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.038 -6.658 7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.916 -6.992 9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.139 -3.721 8.759 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.275 -3.675 7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.640 -3.685 8.730 1.00 0.00 H new ATOM 994 N CYS A 69 -1.854 -7.741 4.744 1.00 0.00 N ATOM 995 CA CYS A 69 -2.946 -8.171 3.879 1.00 0.00 C ATOM 996 C CYS A 69 -2.708 -9.588 3.366 1.00 0.00 C ATOM 997 O CYS A 69 -3.601 -10.434 3.412 1.00 0.00 O ATOM 998 CB CYS A 69 -3.099 -7.208 2.700 1.00 0.00 C ATOM 999 SG CYS A 69 -4.101 -5.732 3.070 1.00 0.00 S ATOM 0 H CYS A 69 -1.115 -7.226 4.265 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.865 -8.166 4.465 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.109 -6.889 2.374 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.553 -7.742 1.865 1.00 0.00 H new ATOM 1004 N ARG A 70 -1.498 -9.838 2.876 1.00 0.00 N ATOM 1005 CA ARG A 70 -1.142 -11.152 2.353 1.00 0.00 C ATOM 1006 C ARG A 70 -1.472 -12.247 3.363 1.00 0.00 C ATOM 1007 O ARG A 70 -1.980 -13.308 3.000 1.00 0.00 O ATOM 1008 CB ARG A 70 0.346 -11.198 2.001 1.00 0.00 C ATOM 1009 CG ARG A 70 1.261 -11.091 3.210 1.00 0.00 C ATOM 1010 CD ARG A 70 2.725 -11.057 2.799 1.00 0.00 C ATOM 1011 NE ARG A 70 3.027 -9.911 1.946 1.00 0.00 N ATOM 1012 CZ ARG A 70 4.258 -9.462 1.728 1.00 0.00 C ATOM 1013 NH1 ARG A 70 5.296 -10.059 2.298 1.00 0.00 N ATOM 1014 NH2 ARG A 70 4.453 -8.413 0.939 1.00 0.00 N ATOM 0 H ARG A 70 -0.748 -9.148 2.830 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.727 -11.327 1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.558 -12.130 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.573 -10.385 1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.019 -10.189 3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.088 -11.937 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.351 -11.020 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.975 -11.978 2.271 1.00 0.00 H new ATOM 0 HE ARG A 70 2.251 -9.429 1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.150 -10.865 2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.240 -9.712 2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.657 -7.951 0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.399 -8.069 0.772 1.00 0.00 H new ATOM 1028 N LEU A 71 -1.178 -11.982 4.631 1.00 0.00 N ATOM 1029 CA LEU A 71 -1.442 -12.945 5.695 1.00 0.00 C ATOM 1030 C LEU A 71 -2.933 -13.252 5.793 1.00 0.00 C ATOM 1031 O LEU A 71 -3.328 -14.378 6.100 1.00 0.00 O ATOM 1032 CB LEU A 71 -0.931 -12.409 7.033 1.00 0.00 C ATOM 1033 CG LEU A 71 -1.925 -11.581 7.848 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -2.722 -12.475 8.786 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -1.200 -10.496 8.631 1.00 0.00 C ATOM 0 H LEU A 71 -0.757 -11.109 4.948 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.914 -13.868 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.608 -13.254 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.049 -11.798 6.844 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.620 -11.101 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.424 -11.868 9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.272 -13.215 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.042 -12.984 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.923 -9.917 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.482 -10.956 9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.675 -9.837 7.939 1.00 0.00 H new ATOM 1047 N THR A 72 -3.759 -12.245 5.528 1.00 0.00 N ATOM 1048 CA THR A 72 -5.206 -12.407 5.585 1.00 0.00 C ATOM 1049 C THR A 72 -5.748 -12.968 4.275 1.00 0.00 C ATOM 1050 O THR A 72 -6.350 -12.245 3.481 1.00 0.00 O ATOM 1051 CB THR A 72 -5.910 -11.071 5.889 1.00 0.00 C ATOM 1052 OG1 THR A 72 -5.389 -10.040 5.042 1.00 0.00 O ATOM 1053 CG2 THR A 72 -5.722 -10.680 7.347 1.00 0.00 C ATOM 0 H THR A 72 -3.450 -11.307 5.271 1.00 0.00 H new ATOM 0 HA THR A 72 -5.414 -13.110 6.392 1.00 0.00 H new ATOM 0 HB THR A 72 -6.976 -11.195 5.697 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.908 -10.446 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.228 -9.734 7.538 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.145 -11.453 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.659 -10.573 7.561 1.00 0.00 H new ATOM 1061 N SER A 73 -5.533 -14.261 4.056 1.00 0.00 N ATOM 1062 CA SER A 73 -5.998 -14.918 2.840 1.00 0.00 C ATOM 1063 C SER A 73 -5.880 -16.434 2.963 1.00 0.00 C ATOM 1064 O SER A 73 -4.823 -16.960 3.310 1.00 0.00 O ATOM 1065 CB SER A 73 -5.196 -14.429 1.632 1.00 0.00 C ATOM 1066 OG SER A 73 -5.944 -14.563 0.436 1.00 0.00 O ATOM 0 H SER A 73 -5.040 -14.875 4.705 1.00 0.00 H new ATOM 0 HA SER A 73 -7.048 -14.663 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.917 -13.385 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.270 -14.998 1.551 1.00 0.00 H new ATOM 0 HG SER A 73 -5.411 -14.242 -0.321 1.00 0.00 H new ATOM 1072 N GLY A 74 -6.975 -17.132 2.676 1.00 0.00 N ATOM 1073 CA GLY A 74 -6.974 -18.581 2.760 1.00 0.00 C ATOM 1074 C GLY A 74 -6.392 -19.233 1.522 1.00 0.00 C ATOM 1075 O GLY A 74 -6.969 -19.180 0.436 1.00 0.00 O ATOM 0 H GLY A 74 -7.862 -16.720 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.401 -18.891 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.995 -18.934 2.907 1.00 0.00 H new ATOM 1079 N PRO A 75 -5.219 -19.865 1.678 1.00 0.00 N ATOM 1080 CA PRO A 75 -4.532 -20.542 0.573 1.00 0.00 C ATOM 1081 C PRO A 75 -5.262 -21.802 0.121 1.00 0.00 C ATOM 1082 O PRO A 75 -5.311 -22.796 0.845 1.00 0.00 O ATOM 1083 CB PRO A 75 -3.168 -20.900 1.170 1.00 0.00 C ATOM 1084 CG PRO A 75 -3.408 -20.985 2.638 1.00 0.00 C ATOM 1085 CD PRO A 75 -4.474 -19.969 2.943 1.00 0.00 C ATOM 0 HA PRO A 75 -4.473 -19.914 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.798 -21.846 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.421 -20.142 0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.730 -21.986 2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.496 -20.773 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.116 -20.294 3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.044 -19.011 3.236 1.00 0.00 H new ATOM 1093 N SER A 76 -5.829 -21.752 -1.080 1.00 0.00 N ATOM 1094 CA SER A 76 -6.560 -22.889 -1.628 1.00 0.00 C ATOM 1095 C SER A 76 -5.950 -23.341 -2.951 1.00 0.00 C ATOM 1096 O SER A 76 -5.804 -22.550 -3.883 1.00 0.00 O ATOM 1097 CB SER A 76 -8.032 -22.526 -1.830 1.00 0.00 C ATOM 1098 OG SER A 76 -8.773 -22.717 -0.637 1.00 0.00 O ATOM 0 H SER A 76 -5.796 -20.937 -1.692 1.00 0.00 H new ATOM 0 HA SER A 76 -6.490 -23.711 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.113 -21.487 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.455 -23.138 -2.626 1.00 0.00 H new ATOM 0 HG SER A 76 -9.710 -22.476 -0.792 1.00 0.00 H new ATOM 1104 N SER A 77 -5.594 -24.620 -3.025 1.00 0.00 N ATOM 1105 CA SER A 77 -4.996 -25.178 -4.232 1.00 0.00 C ATOM 1106 C SER A 77 -5.613 -24.557 -5.482 1.00 0.00 C ATOM 1107 O SER A 77 -4.912 -23.985 -6.315 1.00 0.00 O ATOM 1108 CB SER A 77 -5.176 -26.697 -4.261 1.00 0.00 C ATOM 1109 OG SER A 77 -4.461 -27.316 -3.206 1.00 0.00 O ATOM 0 H SER A 77 -5.709 -25.289 -2.263 1.00 0.00 H new ATOM 0 HA SER A 77 -3.931 -24.946 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.235 -26.942 -4.180 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.830 -27.089 -5.218 1.00 0.00 H new ATOM 0 HG SER A 77 -4.594 -28.286 -3.246 1.00 0.00 H new ATOM 1115 N GLY A 78 -6.932 -24.675 -5.604 1.00 0.00 N ATOM 1116 CA GLY A 78 -7.622 -24.122 -6.754 1.00 0.00 C ATOM 1117 C GLY A 78 -7.168 -24.745 -8.059 1.00 0.00 C ATOM 1118 O GLY A 78 -7.949 -24.785 -9.008 1.00 0.00 O ATOM 0 H GLY A 78 -7.534 -25.144 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.695 -24.273 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.454 -23.046 -6.791 1.00 0.00 H new TER 1122 GLY A 78 HETATM 1123 ZN ZN A 201 10.110 0.125 4.819 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -2.477 -4.072 3.288 1.00 0.00 ZN