USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 28 ASN : amide:sc= -1.58 X(o=-3.1,f=-3.4!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -1.49 X(o=-3.1,f=-3.4!) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0101) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0318 (180deg=-0.433) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= -0.689 (180deg=-2.33!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.14) USER MOD Single : A 21 MET CE :methyl -152:sc= -0.0443 (180deg=-0.69) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= 0.417 (180deg=0.346) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 42:sc= -2.81 USER MOD Single : A 35 HIS : no HD1:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 37 SER OG : rot -140:sc= -0.154 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0995 K(o=-0.1,f=-0.96) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 46:sc= -2.2! USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -1.42 (180deg=-2.07!) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc=-0.00798 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.007 3.759 18.932 1.00 0.00 N ATOM 2 CA MET A 1 3.671 2.317 18.982 1.00 0.00 C ATOM 3 C MET A 1 4.851 1.524 19.529 1.00 0.00 C ATOM 4 O MET A 1 5.584 1.998 20.373 1.00 0.00 O ATOM 5 CB MET A 1 3.351 1.804 17.569 1.00 0.00 C ATOM 6 CG MET A 1 2.411 2.795 16.880 1.00 0.00 C ATOM 7 SD MET A 1 0.911 3.276 17.772 1.00 0.00 S ATOM 8 CE MET A 1 0.042 1.695 17.622 1.00 0.00 C ATOM 0 H1 MET A 1 3.135 4.315 18.823 1.00 0.00 H new ATOM 0 H2 MET A 1 4.485 4.035 19.813 1.00 0.00 H new ATOM 0 H3 MET A 1 4.637 3.941 18.125 1.00 0.00 H new ATOM 0 HA MET A 1 2.805 2.187 19.631 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.269 1.693 16.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.887 0.819 17.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.977 3.700 16.660 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.112 2.366 15.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.950 1.781 18.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.054 1.431 16.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.605 0.919 18.141 1.00 0.00 H new ATOM 17 N ALA A 2 5.013 0.327 19.037 1.00 0.00 N ATOM 18 CA ALA A 2 6.138 -0.513 19.516 1.00 0.00 C ATOM 19 C ALA A 2 7.472 0.192 19.306 1.00 0.00 C ATOM 20 O ALA A 2 8.423 -0.055 20.020 1.00 0.00 O ATOM 21 CB ALA A 2 6.143 -1.820 18.709 1.00 0.00 C ATOM 0 H ALA A 2 4.417 -0.101 18.328 1.00 0.00 H new ATOM 0 HA ALA A 2 6.008 -0.705 20.581 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.964 -2.453 19.046 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.198 -2.342 18.857 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.271 -1.594 17.650 1.00 0.00 H new ATOM 27 N LYS A 3 7.518 1.056 18.327 1.00 0.00 N ATOM 28 CA LYS A 3 8.782 1.787 18.053 1.00 0.00 C ATOM 29 C LYS A 3 9.437 2.250 19.351 1.00 0.00 C ATOM 30 O LYS A 3 10.646 2.274 19.464 1.00 0.00 O ATOM 31 CB LYS A 3 8.453 3.020 17.196 1.00 0.00 C ATOM 32 CG LYS A 3 9.756 3.722 16.806 1.00 0.00 C ATOM 33 CD LYS A 3 9.478 4.694 15.659 1.00 0.00 C ATOM 34 CE LYS A 3 8.411 5.696 16.101 1.00 0.00 C ATOM 35 NZ LYS A 3 8.697 7.047 15.540 1.00 0.00 N ATOM 0 H LYS A 3 6.738 1.284 17.710 1.00 0.00 H new ATOM 0 HA LYS A 3 9.472 1.121 17.535 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.905 2.721 16.302 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.810 3.703 17.751 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.165 4.258 17.662 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.503 2.988 16.504 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.392 5.217 15.379 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.140 4.149 14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.429 5.359 15.770 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.381 5.747 17.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.962 7.714 15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.626 7.373 15.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.703 6.997 14.501 1.00 0.00 H new ATOM 49 N LYS A 4 8.626 2.607 20.310 1.00 0.00 N ATOM 50 CA LYS A 4 9.186 3.068 21.603 1.00 0.00 C ATOM 51 C LYS A 4 8.241 2.720 22.756 1.00 0.00 C ATOM 52 O LYS A 4 7.910 3.555 23.574 1.00 0.00 O ATOM 53 CB LYS A 4 9.369 4.598 21.528 1.00 0.00 C ATOM 54 CG LYS A 4 10.628 4.991 22.305 1.00 0.00 C ATOM 55 CD LYS A 4 10.805 6.510 22.235 1.00 0.00 C ATOM 56 CE LYS A 4 12.299 6.844 22.188 1.00 0.00 C ATOM 57 NZ LYS A 4 13.100 5.754 22.812 1.00 0.00 N ATOM 0 H LYS A 4 7.608 2.598 20.251 1.00 0.00 H new ATOM 0 HA LYS A 4 10.140 2.574 21.786 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.454 4.916 20.489 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.497 5.102 21.945 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.545 4.669 23.343 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.501 4.491 21.885 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.304 6.906 21.351 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.342 6.982 23.102 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.613 6.987 21.154 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.484 7.783 22.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.016 6.133 23.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.586 5.370 23.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.258 4.997 22.116 1.00 0.00 H new ATOM 71 N ASP A 5 7.834 1.479 22.796 1.00 0.00 N ATOM 72 CA ASP A 5 6.916 1.033 23.872 1.00 0.00 C ATOM 73 C ASP A 5 7.288 1.645 25.220 1.00 0.00 C ATOM 74 O ASP A 5 8.448 1.763 25.562 1.00 0.00 O ATOM 75 CB ASP A 5 7.016 -0.494 23.982 1.00 0.00 C ATOM 76 CG ASP A 5 8.407 -0.941 23.532 1.00 0.00 C ATOM 77 OD1 ASP A 5 9.121 -1.432 24.390 1.00 0.00 O ATOM 78 OD2 ASP A 5 8.678 -0.763 22.355 1.00 0.00 O ATOM 0 H ASP A 5 8.101 0.757 22.126 1.00 0.00 H new ATOM 0 HA ASP A 5 5.904 1.353 23.622 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.835 -0.809 25.010 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.252 -0.966 23.364 1.00 0.00 H new ATOM 83 N VAL A 6 6.283 2.021 25.955 1.00 0.00 N ATOM 84 CA VAL A 6 6.521 2.630 27.291 1.00 0.00 C ATOM 85 C VAL A 6 5.194 2.822 28.010 1.00 0.00 C ATOM 86 O VAL A 6 4.149 2.763 27.391 1.00 0.00 O ATOM 87 CB VAL A 6 7.185 4.004 27.094 1.00 0.00 C ATOM 88 CG1 VAL A 6 6.111 5.038 26.752 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.883 4.418 28.391 1.00 0.00 C ATOM 0 H VAL A 6 5.303 1.933 25.688 1.00 0.00 H new ATOM 0 HA VAL A 6 7.163 1.978 27.883 1.00 0.00 H new ATOM 0 HB VAL A 6 7.913 3.946 26.285 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.577 6.013 26.611 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.602 4.744 25.834 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.388 5.095 27.566 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.355 5.391 28.256 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.150 4.479 29.195 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.642 3.679 28.647 1.00 0.00 H new ATOM 99 N ILE A 7 5.244 3.053 29.305 1.00 0.00 N ATOM 100 CA ILE A 7 3.969 3.246 30.050 1.00 0.00 C ATOM 101 C ILE A 7 3.660 4.721 30.238 1.00 0.00 C ATOM 102 O ILE A 7 4.221 5.371 31.098 1.00 0.00 O ATOM 103 CB ILE A 7 4.098 2.596 31.422 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.612 1.171 31.273 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.705 2.549 32.075 1.00 0.00 C ATOM 106 CD1 ILE A 7 5.226 0.717 32.598 1.00 0.00 C ATOM 0 H ILE A 7 6.096 3.114 29.862 1.00 0.00 H new ATOM 0 HA ILE A 7 3.161 2.791 29.476 1.00 0.00 H new ATOM 0 HB ILE A 7 4.793 3.171 32.034 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.797 0.505 30.989 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.356 1.121 30.478 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.780 2.086 33.059 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.318 3.563 32.179 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.030 1.965 31.450 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.596 -0.303 32.497 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.052 1.378 32.862 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.469 0.752 33.381 1.00 0.00 H new ATOM 118 N GLU A 8 2.770 5.224 29.428 1.00 0.00 N ATOM 119 CA GLU A 8 2.406 6.653 29.542 1.00 0.00 C ATOM 120 C GLU A 8 1.177 6.806 30.418 1.00 0.00 C ATOM 121 O GLU A 8 0.085 6.451 30.015 1.00 0.00 O ATOM 122 CB GLU A 8 2.078 7.186 28.141 1.00 0.00 C ATOM 123 CG GLU A 8 3.302 7.024 27.238 1.00 0.00 C ATOM 124 CD GLU A 8 3.140 7.919 26.009 1.00 0.00 C ATOM 125 OE1 GLU A 8 4.166 8.240 25.434 1.00 0.00 O ATOM 126 OE2 GLU A 8 1.997 8.233 25.717 1.00 0.00 O ATOM 0 H GLU A 8 2.284 4.705 28.697 1.00 0.00 H new ATOM 0 HA GLU A 8 3.236 7.206 29.982 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.229 6.644 27.723 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.790 8.236 28.197 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.208 7.292 27.781 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.409 5.983 26.933 1.00 0.00 H new ATOM 133 N LEU A 9 1.373 7.327 31.606 1.00 0.00 N ATOM 134 CA LEU A 9 0.217 7.509 32.526 1.00 0.00 C ATOM 135 C LEU A 9 0.218 8.897 33.134 1.00 0.00 C ATOM 136 O LEU A 9 1.259 9.491 33.339 1.00 0.00 O ATOM 137 CB LEU A 9 0.337 6.478 33.656 1.00 0.00 C ATOM 138 CG LEU A 9 -0.454 5.224 33.273 1.00 0.00 C ATOM 139 CD1 LEU A 9 -0.254 4.153 34.347 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.941 5.576 33.183 1.00 0.00 C ATOM 0 H LEU A 9 2.276 7.630 31.971 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.708 7.377 31.964 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.384 6.226 33.826 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.046 6.894 34.588 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.105 4.848 32.311 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.816 3.258 34.078 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.805 3.907 34.423 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.609 4.529 35.307 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.510 4.687 32.911 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.286 5.946 34.148 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.087 6.346 32.426 1.00 0.00 H new ATOM 152 N GLU A 10 -0.952 9.395 33.410 1.00 0.00 N ATOM 153 CA GLU A 10 -1.041 10.742 34.004 1.00 0.00 C ATOM 154 C GLU A 10 -0.931 10.669 35.513 1.00 0.00 C ATOM 155 O GLU A 10 -1.415 9.741 36.129 1.00 0.00 O ATOM 156 CB GLU A 10 -2.401 11.354 33.634 1.00 0.00 C ATOM 157 CG GLU A 10 -2.619 11.228 32.124 1.00 0.00 C ATOM 158 CD GLU A 10 -4.120 11.249 31.828 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.540 10.369 31.094 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.763 12.143 32.353 1.00 0.00 O ATOM 0 H GLU A 10 -1.843 8.926 33.249 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.224 11.354 33.621 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.200 10.845 34.172 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.434 12.402 33.932 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.122 12.047 31.603 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.177 10.302 31.757 1.00 0.00 H new ATOM 167 N GLY A 11 -0.294 11.651 36.089 1.00 0.00 N ATOM 168 CA GLY A 11 -0.147 11.647 37.560 1.00 0.00 C ATOM 169 C GLY A 11 -0.100 13.076 38.069 1.00 0.00 C ATOM 170 O GLY A 11 -0.178 14.008 37.292 1.00 0.00 O ATOM 0 H GLY A 11 0.125 12.445 35.606 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.980 11.114 38.018 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.763 11.119 37.844 1.00 0.00 H new ATOM 174 N THR A 12 0.025 13.219 39.361 1.00 0.00 N ATOM 175 CA THR A 12 0.080 14.580 39.946 1.00 0.00 C ATOM 176 C THR A 12 1.337 14.751 40.768 1.00 0.00 C ATOM 177 O THR A 12 1.658 13.922 41.596 1.00 0.00 O ATOM 178 CB THR A 12 -1.134 14.766 40.860 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.261 14.620 40.019 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.218 16.212 41.368 1.00 0.00 C ATOM 0 H THR A 12 0.091 12.452 40.031 1.00 0.00 H new ATOM 0 HA THR A 12 0.078 15.316 39.142 1.00 0.00 H new ATOM 0 HB THR A 12 -1.077 14.069 41.696 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.079 14.727 40.547 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.088 16.320 42.015 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.316 16.453 41.930 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.310 16.891 40.520 1.00 0.00 H new ATOM 188 N VAL A 13 2.030 15.823 40.532 1.00 0.00 N ATOM 189 CA VAL A 13 3.276 16.048 41.307 1.00 0.00 C ATOM 190 C VAL A 13 2.976 16.117 42.789 1.00 0.00 C ATOM 191 O VAL A 13 2.240 16.971 43.240 1.00 0.00 O ATOM 192 CB VAL A 13 3.904 17.371 40.868 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.410 17.326 41.140 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.670 17.557 39.377 1.00 0.00 C ATOM 0 H VAL A 13 1.795 16.543 39.849 1.00 0.00 H new ATOM 0 HA VAL A 13 3.960 15.220 41.122 1.00 0.00 H new ATOM 0 HB VAL A 13 3.456 18.197 41.420 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.864 18.267 40.829 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.583 17.174 42.205 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.857 16.505 40.579 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.114 18.498 39.054 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.129 16.733 38.831 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.599 17.573 39.176 1.00 0.00 H new ATOM 204 N SER A 14 3.554 15.212 43.526 1.00 0.00 N ATOM 205 CA SER A 14 3.314 15.208 44.981 1.00 0.00 C ATOM 206 C SER A 14 4.321 16.091 45.707 1.00 0.00 C ATOM 207 O SER A 14 4.005 16.686 46.719 1.00 0.00 O ATOM 208 CB SER A 14 3.458 13.767 45.494 1.00 0.00 C ATOM 209 OG SER A 14 2.799 13.779 46.753 1.00 0.00 O ATOM 0 H SER A 14 4.177 14.482 43.180 1.00 0.00 H new ATOM 0 HA SER A 14 2.314 15.596 45.173 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.999 13.053 44.811 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.505 13.483 45.595 1.00 0.00 H new ATOM 0 HG SER A 14 2.843 12.886 47.154 1.00 0.00 H new ATOM 215 N GLU A 15 5.518 16.168 45.185 1.00 0.00 N ATOM 216 CA GLU A 15 6.537 17.017 45.857 1.00 0.00 C ATOM 217 C GLU A 15 7.552 17.570 44.865 1.00 0.00 C ATOM 218 O GLU A 15 7.760 17.011 43.806 1.00 0.00 O ATOM 219 CB GLU A 15 7.278 16.151 46.885 1.00 0.00 C ATOM 220 CG GLU A 15 8.129 17.054 47.781 1.00 0.00 C ATOM 221 CD GLU A 15 7.223 18.066 48.484 1.00 0.00 C ATOM 222 OE1 GLU A 15 7.525 19.242 48.360 1.00 0.00 O ATOM 223 OE2 GLU A 15 6.278 17.608 49.106 1.00 0.00 O ATOM 0 H GLU A 15 5.827 15.689 44.339 1.00 0.00 H new ATOM 0 HA GLU A 15 6.031 17.859 46.330 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.564 15.589 47.487 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.910 15.422 46.377 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.664 16.455 48.517 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.880 17.573 47.186 1.00 0.00 H new ATOM 230 N ALA A 16 8.169 18.670 45.237 1.00 0.00 N ATOM 231 CA ALA A 16 9.180 19.298 44.346 1.00 0.00 C ATOM 232 C ALA A 16 10.580 19.097 44.900 1.00 0.00 C ATOM 233 O ALA A 16 10.955 19.712 45.880 1.00 0.00 O ATOM 234 CB ALA A 16 8.891 20.805 44.271 1.00 0.00 C ATOM 0 H ALA A 16 8.011 19.154 46.121 1.00 0.00 H new ATOM 0 HA ALA A 16 9.122 18.838 43.359 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.623 21.284 43.621 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.890 20.964 43.869 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.954 21.238 45.269 1.00 0.00 H new ATOM 240 N LEU A 17 11.332 18.237 44.261 1.00 0.00 N ATOM 241 CA LEU A 17 12.713 17.975 44.732 1.00 0.00 C ATOM 242 C LEU A 17 13.742 18.756 43.894 1.00 0.00 C ATOM 243 O LEU A 17 13.567 18.933 42.707 1.00 0.00 O ATOM 244 CB LEU A 17 12.990 16.478 44.564 1.00 0.00 C ATOM 245 CG LEU A 17 11.843 15.688 45.190 1.00 0.00 C ATOM 246 CD1 LEU A 17 11.945 14.231 44.752 1.00 0.00 C ATOM 247 CD2 LEU A 17 11.952 15.764 46.709 1.00 0.00 C ATOM 0 H LEU A 17 11.045 17.710 43.437 1.00 0.00 H new ATOM 0 HA LEU A 17 12.801 18.289 45.772 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.086 16.229 43.507 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.934 16.214 45.041 1.00 0.00 H new ATOM 0 HG LEU A 17 10.888 16.105 44.869 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.129 13.660 45.195 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.881 14.172 43.665 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.898 13.818 45.082 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.135 15.201 47.161 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.904 15.340 47.027 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.895 16.805 47.026 1.00 0.00 H new ATOM 259 N PRO A 18 14.805 19.216 44.535 1.00 0.00 N ATOM 260 CA PRO A 18 15.844 19.968 43.837 1.00 0.00 C ATOM 261 C PRO A 18 16.488 19.125 42.743 1.00 0.00 C ATOM 262 O PRO A 18 16.299 17.926 42.689 1.00 0.00 O ATOM 263 CB PRO A 18 16.896 20.294 44.922 1.00 0.00 C ATOM 264 CG PRO A 18 16.408 19.645 46.252 1.00 0.00 C ATOM 265 CD PRO A 18 15.029 19.026 45.977 1.00 0.00 C ATOM 0 HA PRO A 18 15.437 20.858 43.357 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.873 19.902 44.639 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.006 21.372 45.039 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.111 18.883 46.589 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.344 20.392 47.043 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.011 17.969 46.243 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.253 19.516 46.565 1.00 0.00 H new ATOM 273 N ASN A 19 17.231 19.776 41.887 1.00 0.00 N ATOM 274 CA ASN A 19 17.905 19.046 40.783 1.00 0.00 C ATOM 275 C ASN A 19 16.926 18.693 39.658 1.00 0.00 C ATOM 276 O ASN A 19 17.096 17.703 38.975 1.00 0.00 O ATOM 277 CB ASN A 19 18.503 17.745 41.348 1.00 0.00 C ATOM 278 CG ASN A 19 19.855 17.473 40.684 1.00 0.00 C ATOM 279 OD1 ASN A 19 20.685 16.756 41.209 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.117 18.023 39.529 1.00 0.00 N ATOM 0 H ASN A 19 17.398 20.782 41.908 1.00 0.00 H new ATOM 0 HA ASN A 19 18.681 19.690 40.368 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.627 17.828 42.428 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.824 16.912 41.168 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.013 17.850 39.073 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.426 18.626 39.083 1.00 0.00 H new ATOM 287 N ALA A 20 15.920 19.509 39.487 1.00 0.00 N ATOM 288 CA ALA A 20 14.927 19.233 38.412 1.00 0.00 C ATOM 289 C ALA A 20 14.298 17.848 38.571 1.00 0.00 C ATOM 290 O ALA A 20 14.358 17.030 37.672 1.00 0.00 O ATOM 291 CB ALA A 20 15.662 19.287 37.063 1.00 0.00 C ATOM 0 H ALA A 20 15.745 20.347 40.041 1.00 0.00 H new ATOM 0 HA ALA A 20 14.131 19.976 38.468 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.957 19.088 36.256 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.100 20.276 36.927 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.451 18.536 37.048 1.00 0.00 H new ATOM 297 N MET A 21 13.691 17.618 39.703 1.00 0.00 N ATOM 298 CA MET A 21 13.059 16.318 39.944 1.00 0.00 C ATOM 299 C MET A 21 11.909 16.476 40.923 1.00 0.00 C ATOM 300 O MET A 21 11.843 17.441 41.654 1.00 0.00 O ATOM 301 CB MET A 21 14.107 15.383 40.565 1.00 0.00 C ATOM 302 CG MET A 21 14.709 14.509 39.469 1.00 0.00 C ATOM 303 SD MET A 21 15.849 13.199 39.983 1.00 0.00 S ATOM 304 CE MET A 21 17.314 14.241 40.204 1.00 0.00 C ATOM 0 H MET A 21 13.612 18.288 40.468 1.00 0.00 H new ATOM 0 HA MET A 21 12.681 15.912 39.006 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.888 15.966 41.053 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.647 14.760 41.332 1.00 0.00 H new ATOM 0 HG2 MET A 21 13.890 14.046 38.919 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.235 15.159 38.770 1.00 0.00 H new ATOM 0 HE1 MET A 21 18.212 13.647 40.033 1.00 0.00 H new ATOM 0 HE2 MET A 21 17.284 15.067 39.493 1.00 0.00 H new ATOM 0 HE3 MET A 21 17.329 14.637 41.219 1.00 0.00 H new ATOM 314 N PHE A 22 11.024 15.540 40.917 1.00 0.00 N ATOM 315 CA PHE A 22 9.875 15.628 41.845 1.00 0.00 C ATOM 316 C PHE A 22 9.229 14.267 42.071 1.00 0.00 C ATOM 317 O PHE A 22 9.484 13.323 41.350 1.00 0.00 O ATOM 318 CB PHE A 22 8.809 16.589 41.268 1.00 0.00 C ATOM 319 CG PHE A 22 8.870 16.651 39.732 1.00 0.00 C ATOM 320 CD1 PHE A 22 9.291 15.569 38.976 1.00 0.00 C ATOM 321 CD2 PHE A 22 8.468 17.804 39.078 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.305 15.647 37.597 1.00 0.00 C ATOM 323 CE2 PHE A 22 8.483 17.871 37.704 1.00 0.00 C ATOM 324 CZ PHE A 22 8.899 16.795 36.968 1.00 0.00 C ATOM 0 H PHE A 22 11.041 14.718 40.314 1.00 0.00 H new ATOM 0 HA PHE A 22 10.252 15.999 42.798 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.817 16.262 41.580 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.959 17.587 41.679 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.609 14.661 39.467 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.140 18.658 39.652 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.637 14.801 37.013 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.166 18.775 37.205 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.907 16.851 35.889 1.00 0.00 H new ATOM 334 N LYS A 23 8.411 14.193 43.089 1.00 0.00 N ATOM 335 CA LYS A 23 7.725 12.914 43.400 1.00 0.00 C ATOM 336 C LYS A 23 6.279 12.984 42.938 1.00 0.00 C ATOM 337 O LYS A 23 5.500 13.756 43.463 1.00 0.00 O ATOM 338 CB LYS A 23 7.757 12.703 44.925 1.00 0.00 C ATOM 339 CG LYS A 23 7.276 11.287 45.250 1.00 0.00 C ATOM 340 CD LYS A 23 7.664 10.943 46.693 1.00 0.00 C ATOM 341 CE LYS A 23 7.192 12.063 47.625 1.00 0.00 C ATOM 342 NZ LYS A 23 7.099 11.572 49.030 1.00 0.00 N ATOM 0 H LYS A 23 8.191 14.967 43.716 1.00 0.00 H new ATOM 0 HA LYS A 23 8.226 12.091 42.891 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.768 12.852 45.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.121 13.438 45.419 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.195 11.219 45.125 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.722 10.571 44.560 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.213 9.995 46.987 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.744 10.820 46.772 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.885 12.903 47.573 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.220 12.431 47.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.961 12.379 49.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.294 10.919 49.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.977 11.075 49.283 1.00 0.00 H new ATOM 356 N VAL A 24 5.940 12.175 41.966 1.00 0.00 N ATOM 357 CA VAL A 24 4.546 12.191 41.461 1.00 0.00 C ATOM 358 C VAL A 24 3.734 11.081 42.065 1.00 0.00 C ATOM 359 O VAL A 24 4.243 10.016 42.344 1.00 0.00 O ATOM 360 CB VAL A 24 4.568 11.999 39.942 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.136 12.090 39.404 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.410 13.098 39.305 1.00 0.00 C ATOM 0 H VAL A 24 6.566 11.512 41.508 1.00 0.00 H new ATOM 0 HA VAL A 24 4.095 13.145 41.733 1.00 0.00 H new ATOM 0 HB VAL A 24 4.994 11.025 39.702 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.144 11.954 38.323 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.525 11.313 39.863 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.719 13.068 39.644 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.427 12.963 38.224 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.979 14.071 39.543 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.427 13.048 39.693 1.00 0.00 H new ATOM 372 N LYS A 25 2.477 11.358 42.253 1.00 0.00 N ATOM 373 CA LYS A 25 1.565 10.342 42.843 1.00 0.00 C ATOM 374 C LYS A 25 0.389 10.107 41.913 1.00 0.00 C ATOM 375 O LYS A 25 -0.416 10.988 41.687 1.00 0.00 O ATOM 376 CB LYS A 25 1.053 10.869 44.193 1.00 0.00 C ATOM 377 CG LYS A 25 -0.247 10.151 44.554 1.00 0.00 C ATOM 378 CD LYS A 25 -0.537 10.356 46.044 1.00 0.00 C ATOM 379 CE LYS A 25 -1.909 9.763 46.376 1.00 0.00 C ATOM 380 NZ LYS A 25 -2.771 10.781 47.037 1.00 0.00 N ATOM 0 H LYS A 25 2.039 12.250 42.022 1.00 0.00 H new ATOM 0 HA LYS A 25 2.099 9.402 42.984 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.801 10.704 44.968 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.885 11.944 44.137 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.070 10.539 43.954 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.164 9.087 44.330 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.235 9.877 46.646 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.518 11.418 46.288 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.389 9.409 45.464 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.790 8.899 47.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.698 10.362 47.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.319 11.100 47.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.900 11.593 46.400 1.00 0.00 H new ATOM 394 N LEU A 26 0.313 8.922 41.384 1.00 0.00 N ATOM 395 CA LEU A 26 -0.791 8.604 40.468 1.00 0.00 C ATOM 396 C LEU A 26 -2.114 8.529 41.194 1.00 0.00 C ATOM 397 O LEU A 26 -2.176 8.141 42.341 1.00 0.00 O ATOM 398 CB LEU A 26 -0.503 7.252 39.832 1.00 0.00 C ATOM 399 CG LEU A 26 0.943 7.246 39.396 1.00 0.00 C ATOM 400 CD1 LEU A 26 1.198 6.055 38.473 1.00 0.00 C ATOM 401 CD2 LEU A 26 1.232 8.537 38.648 1.00 0.00 C ATOM 0 H LEU A 26 0.974 8.163 41.552 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.862 9.392 39.719 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.691 6.447 40.543 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.160 7.083 38.979 1.00 0.00 H new ATOM 0 HG LEU A 26 1.592 7.166 40.268 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.242 6.054 38.160 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.977 5.129 39.004 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.557 6.131 37.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.274 8.546 38.327 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.583 8.605 37.775 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.047 9.387 39.305 1.00 0.00 H new ATOM 413 N GLU A 27 -3.152 8.911 40.518 1.00 0.00 N ATOM 414 CA GLU A 27 -4.483 8.866 41.153 1.00 0.00 C ATOM 415 C GLU A 27 -4.705 7.506 41.798 1.00 0.00 C ATOM 416 O GLU A 27 -5.639 7.312 42.550 1.00 0.00 O ATOM 417 CB GLU A 27 -5.544 9.074 40.066 1.00 0.00 C ATOM 418 CG GLU A 27 -5.090 8.370 38.785 1.00 0.00 C ATOM 419 CD GLU A 27 -4.589 6.965 39.132 1.00 0.00 C ATOM 420 OE1 GLU A 27 -5.443 6.130 39.377 1.00 0.00 O ATOM 421 OE2 GLU A 27 -3.379 6.809 39.133 1.00 0.00 O ATOM 0 H GLU A 27 -3.135 9.251 39.557 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.551 9.642 41.916 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.503 8.675 40.395 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.689 10.138 39.880 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.916 8.310 38.077 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.298 8.943 38.303 1.00 0.00 H new ATOM 428 N ASN A 28 -3.829 6.583 41.487 1.00 0.00 N ATOM 429 CA ASN A 28 -3.961 5.225 42.064 1.00 0.00 C ATOM 430 C ASN A 28 -3.443 5.196 43.499 1.00 0.00 C ATOM 431 O ASN A 28 -3.746 4.291 44.250 1.00 0.00 O ATOM 432 CB ASN A 28 -3.122 4.259 41.210 1.00 0.00 C ATOM 433 CG ASN A 28 -3.641 2.829 41.389 1.00 0.00 C ATOM 434 OD1 ASN A 28 -4.731 2.608 41.880 1.00 0.00 O ATOM 435 ND2 ASN A 28 -2.893 1.831 41.002 1.00 0.00 N ATOM 0 H ASN A 28 -3.035 6.717 40.861 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.011 4.934 42.069 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.175 4.547 40.160 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.074 4.315 41.504 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.224 0.873 41.112 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.978 2.010 40.589 1.00 0.00 H new ATOM 442 N GLY A 29 -2.667 6.195 43.851 1.00 0.00 N ATOM 443 CA GLY A 29 -2.115 6.254 45.240 1.00 0.00 C ATOM 444 C GLY A 29 -0.624 5.871 45.293 1.00 0.00 C ATOM 445 O GLY A 29 -0.022 5.917 46.347 1.00 0.00 O ATOM 0 H GLY A 29 -2.395 6.966 43.241 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.244 7.261 45.637 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.683 5.582 45.883 1.00 0.00 H new ATOM 449 N HIS A 30 -0.051 5.509 44.165 1.00 0.00 N ATOM 450 CA HIS A 30 1.398 5.129 44.184 1.00 0.00 C ATOM 451 C HIS A 30 2.299 6.300 43.839 1.00 0.00 C ATOM 452 O HIS A 30 2.022 7.060 42.937 1.00 0.00 O ATOM 453 CB HIS A 30 1.609 4.024 43.156 1.00 0.00 C ATOM 454 CG HIS A 30 0.619 2.919 43.452 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.504 2.823 42.932 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.705 1.882 44.351 1.00 0.00 C ATOM 457 CE1 HIS A 30 -1.148 1.846 43.401 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.456 1.174 44.321 1.00 0.00 N ATOM 0 H HIS A 30 -0.511 5.461 43.256 1.00 0.00 H new ATOM 0 HA HIS A 30 1.656 4.799 45.190 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.461 4.408 42.147 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.630 3.645 43.207 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.556 1.665 44.979 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.149 1.583 43.092 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.725 0.350 44.858 1.00 0.00 H new ATOM 466 N GLU A 31 3.375 6.418 44.576 1.00 0.00 N ATOM 467 CA GLU A 31 4.318 7.523 44.321 1.00 0.00 C ATOM 468 C GLU A 31 5.399 7.086 43.341 1.00 0.00 C ATOM 469 O GLU A 31 5.869 5.967 43.398 1.00 0.00 O ATOM 470 CB GLU A 31 4.977 7.909 45.651 1.00 0.00 C ATOM 471 CG GLU A 31 3.920 8.516 46.576 1.00 0.00 C ATOM 472 CD GLU A 31 4.560 8.856 47.923 1.00 0.00 C ATOM 473 OE1 GLU A 31 4.869 7.910 48.630 1.00 0.00 O ATOM 474 OE2 GLU A 31 4.706 10.042 48.170 1.00 0.00 O ATOM 0 H GLU A 31 3.632 5.793 45.340 1.00 0.00 H new ATOM 0 HA GLU A 31 3.779 8.368 43.893 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.425 7.032 46.117 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.781 8.624 45.479 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.498 9.414 46.124 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.098 7.814 46.718 1.00 0.00 H new ATOM 481 N ILE A 32 5.778 7.980 42.454 1.00 0.00 N ATOM 482 CA ILE A 32 6.831 7.626 41.463 1.00 0.00 C ATOM 483 C ILE A 32 7.814 8.764 41.276 1.00 0.00 C ATOM 484 O ILE A 32 7.447 9.921 41.319 1.00 0.00 O ATOM 485 CB ILE A 32 6.169 7.355 40.128 1.00 0.00 C ATOM 486 CG1 ILE A 32 4.981 6.414 40.299 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.197 6.692 39.197 1.00 0.00 C ATOM 488 CD1 ILE A 32 5.490 4.983 40.495 1.00 0.00 C ATOM 0 H ILE A 32 5.405 8.926 42.379 1.00 0.00 H new ATOM 0 HA ILE A 32 7.367 6.751 41.830 1.00 0.00 H new ATOM 0 HB ILE A 32 5.815 8.296 39.708 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.382 6.719 41.157 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.334 6.465 39.424 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.735 6.490 38.230 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.048 7.359 39.061 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.538 5.756 39.639 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.642 4.309 40.617 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.071 4.681 39.624 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.120 4.939 41.384 1.00 0.00 H new ATOM 500 N LEU A 33 9.053 8.417 41.070 1.00 0.00 N ATOM 501 CA LEU A 33 10.069 9.457 40.876 1.00 0.00 C ATOM 502 C LEU A 33 10.099 9.855 39.417 1.00 0.00 C ATOM 503 O LEU A 33 10.082 8.999 38.553 1.00 0.00 O ATOM 504 CB LEU A 33 11.441 8.883 41.270 1.00 0.00 C ATOM 505 CG LEU A 33 11.493 8.698 42.788 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.292 7.863 43.238 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.784 7.965 43.160 1.00 0.00 C ATOM 0 H LEU A 33 9.394 7.457 41.030 1.00 0.00 H new ATOM 0 HA LEU A 33 9.836 10.328 41.489 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.606 7.929 40.770 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.236 9.555 40.946 1.00 0.00 H new ATOM 0 HG LEU A 33 11.466 9.671 43.278 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.326 7.729 44.319 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.370 8.376 42.965 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.323 6.888 42.751 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.827 7.830 44.241 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.803 6.991 42.672 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.643 8.552 42.833 1.00 0.00 H new ATOM 519 N CYS A 34 10.131 11.136 39.154 1.00 0.00 N ATOM 520 CA CYS A 34 10.159 11.572 37.737 1.00 0.00 C ATOM 521 C CYS A 34 11.101 12.738 37.537 1.00 0.00 C ATOM 522 O CYS A 34 11.335 13.512 38.440 1.00 0.00 O ATOM 523 CB CYS A 34 8.738 11.991 37.337 1.00 0.00 C ATOM 524 SG CYS A 34 7.363 11.044 38.039 1.00 0.00 S ATOM 0 H CYS A 34 10.139 11.883 39.849 1.00 0.00 H new ATOM 0 HA CYS A 34 10.513 10.747 37.118 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.604 13.036 37.615 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.664 11.938 36.251 1.00 0.00 H new ATOM 0 HG CYS A 34 7.594 10.812 39.297 1.00 0.00 H new ATOM 530 N HIS A 35 11.643 12.824 36.350 1.00 0.00 N ATOM 531 CA HIS A 35 12.585 13.934 36.045 1.00 0.00 C ATOM 532 C HIS A 35 12.013 14.842 34.970 1.00 0.00 C ATOM 533 O HIS A 35 11.109 14.463 34.252 1.00 0.00 O ATOM 534 CB HIS A 35 13.896 13.321 35.533 1.00 0.00 C ATOM 535 CG HIS A 35 14.462 12.379 36.599 1.00 0.00 C ATOM 536 ND1 HIS A 35 13.888 11.353 37.022 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.654 12.446 37.293 1.00 0.00 C ATOM 538 CE1 HIS A 35 14.581 10.763 37.904 1.00 0.00 C ATOM 539 NE2 HIS A 35 15.732 11.389 38.148 1.00 0.00 N ATOM 0 H HIS A 35 11.473 12.174 35.583 1.00 0.00 H new ATOM 0 HA HIS A 35 12.753 14.524 36.946 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.719 12.776 34.606 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.615 14.108 35.307 1.00 0.00 H new ATOM 0 HD2 HIS A 35 16.404 13.214 37.176 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.273 9.855 38.402 1.00 0.00 H new ATOM 0 HE2 HIS A 35 16.475 11.142 38.802 1.00 0.00 H new ATOM 547 N ILE A 36 12.551 16.027 34.876 1.00 0.00 N ATOM 548 CA ILE A 36 12.051 16.971 33.857 1.00 0.00 C ATOM 549 C ILE A 36 12.843 16.873 32.566 1.00 0.00 C ATOM 550 O ILE A 36 14.032 16.623 32.575 1.00 0.00 O ATOM 551 CB ILE A 36 12.174 18.380 34.415 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.038 18.623 35.387 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.062 19.384 33.254 1.00 0.00 C ATOM 554 CD1 ILE A 36 11.387 19.804 36.295 1.00 0.00 C ATOM 0 H ILE A 36 13.311 16.374 35.461 1.00 0.00 H new ATOM 0 HA ILE A 36 11.014 16.726 33.629 1.00 0.00 H new ATOM 0 HB ILE A 36 13.131 18.501 34.923 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.117 18.829 34.842 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.861 17.730 35.986 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.149 20.399 33.641 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.861 19.200 32.536 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.097 19.265 32.762 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.570 19.979 36.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.298 19.579 36.850 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.542 20.696 35.688 1.00 0.00 H new ATOM 566 N SER A 37 12.162 17.075 31.474 1.00 0.00 N ATOM 567 CA SER A 37 12.841 17.001 30.166 1.00 0.00 C ATOM 568 C SER A 37 13.332 18.375 29.729 1.00 0.00 C ATOM 569 O SER A 37 13.175 19.350 30.438 1.00 0.00 O ATOM 570 CB SER A 37 11.837 16.479 29.127 1.00 0.00 C ATOM 571 OG SER A 37 11.930 15.067 29.237 1.00 0.00 O ATOM 0 H SER A 37 11.165 17.288 31.437 1.00 0.00 H new ATOM 0 HA SER A 37 13.700 16.336 30.249 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.827 16.830 29.337 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.090 16.818 28.122 1.00 0.00 H new ATOM 0 HG SER A 37 11.889 14.666 28.344 1.00 0.00 H new ATOM 577 N GLY A 38 13.920 18.429 28.565 1.00 0.00 N ATOM 578 CA GLY A 38 14.431 19.737 28.063 1.00 0.00 C ATOM 579 C GLY A 38 13.294 20.574 27.465 1.00 0.00 C ATOM 580 O GLY A 38 13.477 21.734 27.144 1.00 0.00 O ATOM 0 H GLY A 38 14.068 17.633 27.945 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.902 20.286 28.879 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.199 19.567 27.308 1.00 0.00 H new ATOM 584 N LYS A 39 12.141 19.977 27.325 1.00 0.00 N ATOM 585 CA LYS A 39 11.010 20.735 26.753 1.00 0.00 C ATOM 586 C LYS A 39 10.455 21.706 27.771 1.00 0.00 C ATOM 587 O LYS A 39 10.482 22.904 27.567 1.00 0.00 O ATOM 588 CB LYS A 39 9.908 19.745 26.350 1.00 0.00 C ATOM 589 CG LYS A 39 10.540 18.563 25.613 1.00 0.00 C ATOM 590 CD LYS A 39 11.232 19.072 24.347 1.00 0.00 C ATOM 591 CE LYS A 39 11.313 17.934 23.327 1.00 0.00 C ATOM 592 NZ LYS A 39 12.500 18.110 22.441 1.00 0.00 N ATOM 0 H LYS A 39 11.942 19.010 27.580 1.00 0.00 H new ATOM 0 HA LYS A 39 11.357 21.296 25.885 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.375 19.395 27.234 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.175 20.238 25.711 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.260 18.060 26.258 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.776 17.830 25.355 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.679 19.913 23.929 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.232 19.435 24.585 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.377 16.977 23.845 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.404 17.911 22.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.540 17.329 21.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.423 19.014 21.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.366 18.109 23.017 1.00 0.00 H new ATOM 606 N LEU A 40 9.962 21.184 28.850 1.00 0.00 N ATOM 607 CA LEU A 40 9.409 22.076 29.883 1.00 0.00 C ATOM 608 C LEU A 40 10.442 23.102 30.254 1.00 0.00 C ATOM 609 O LEU A 40 10.133 24.148 30.789 1.00 0.00 O ATOM 610 CB LEU A 40 9.058 21.232 31.115 1.00 0.00 C ATOM 611 CG LEU A 40 8.399 19.933 30.651 1.00 0.00 C ATOM 612 CD1 LEU A 40 9.362 18.766 30.870 1.00 0.00 C ATOM 613 CD2 LEU A 40 7.127 19.692 31.469 1.00 0.00 C ATOM 0 H LEU A 40 9.919 20.186 29.057 1.00 0.00 H new ATOM 0 HA LEU A 40 8.518 22.581 29.511 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.957 21.014 31.692 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.384 21.784 31.771 1.00 0.00 H new ATOM 0 HG LEU A 40 8.150 20.010 29.592 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.892 17.840 30.539 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.274 18.935 30.298 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.607 18.690 31.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.654 18.766 31.141 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.383 19.614 32.526 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.438 20.524 31.323 1.00 0.00 H new ATOM 625 N ARG A 41 11.665 22.778 29.962 1.00 0.00 N ATOM 626 CA ARG A 41 12.754 23.716 30.283 1.00 0.00 C ATOM 627 C ARG A 41 12.715 24.879 29.314 1.00 0.00 C ATOM 628 O ARG A 41 12.938 26.015 29.685 1.00 0.00 O ATOM 629 CB ARG A 41 14.095 22.988 30.130 1.00 0.00 C ATOM 630 CG ARG A 41 14.478 22.350 31.466 1.00 0.00 C ATOM 631 CD ARG A 41 15.832 21.647 31.317 1.00 0.00 C ATOM 632 NE ARG A 41 16.836 22.344 32.170 1.00 0.00 N ATOM 633 CZ ARG A 41 18.081 22.393 31.782 1.00 0.00 C ATOM 634 NH1 ARG A 41 18.347 22.784 30.566 1.00 0.00 N ATOM 635 NH2 ARG A 41 19.018 22.047 32.622 1.00 0.00 N ATOM 0 H ARG A 41 11.952 21.906 29.517 1.00 0.00 H new ATOM 0 HA ARG A 41 12.638 24.082 31.303 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.021 22.223 29.357 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.868 23.688 29.813 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.533 23.111 32.244 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.715 21.635 31.774 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.748 20.601 31.612 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.150 21.659 30.275 1.00 0.00 H new ATOM 0 HE ARG A 41 16.553 22.778 33.048 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.588 23.045 29.937 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.314 22.829 30.245 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.772 21.744 33.564 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.997 22.079 32.336 1.00 0.00 H new ATOM 649 N MET A 42 12.430 24.570 28.077 1.00 0.00 N ATOM 650 CA MET A 42 12.366 25.632 27.058 1.00 0.00 C ATOM 651 C MET A 42 11.169 26.536 27.309 1.00 0.00 C ATOM 652 O MET A 42 11.188 27.702 26.967 1.00 0.00 O ATOM 653 CB MET A 42 12.211 24.975 25.679 1.00 0.00 C ATOM 654 CG MET A 42 13.590 24.826 25.034 1.00 0.00 C ATOM 655 SD MET A 42 14.610 26.316 24.905 1.00 0.00 S ATOM 656 CE MET A 42 15.747 25.703 23.637 1.00 0.00 C ATOM 0 H MET A 42 12.241 23.627 27.738 1.00 0.00 H new ATOM 0 HA MET A 42 13.276 26.230 27.103 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.736 23.999 25.779 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.564 25.581 25.045 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.149 24.082 25.601 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.452 24.424 24.030 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.478 26.476 23.399 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.263 24.818 24.008 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.186 25.446 22.739 1.00 0.00 H new ATOM 666 N ASN A 43 10.138 25.984 27.905 1.00 0.00 N ATOM 667 CA ASN A 43 8.941 26.809 28.178 1.00 0.00 C ATOM 668 C ASN A 43 9.172 27.706 29.389 1.00 0.00 C ATOM 669 O ASN A 43 8.453 28.660 29.605 1.00 0.00 O ATOM 670 CB ASN A 43 7.760 25.870 28.471 1.00 0.00 C ATOM 671 CG ASN A 43 7.157 25.390 27.149 1.00 0.00 C ATOM 672 OD1 ASN A 43 7.819 24.769 26.341 1.00 0.00 O ATOM 673 ND2 ASN A 43 5.905 25.655 26.889 1.00 0.00 N ATOM 0 H ASN A 43 10.082 25.011 28.207 1.00 0.00 H new ATOM 0 HA ASN A 43 8.733 27.437 27.312 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.096 25.018 29.062 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.005 26.389 29.061 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.489 25.341 26.012 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.343 26.176 27.563 1.00 0.00 H new ATOM 680 N PHE A 44 10.181 27.384 30.156 1.00 0.00 N ATOM 681 CA PHE A 44 10.475 28.206 31.356 1.00 0.00 C ATOM 682 C PHE A 44 9.204 28.459 32.155 1.00 0.00 C ATOM 683 O PHE A 44 8.598 29.505 32.044 1.00 0.00 O ATOM 684 CB PHE A 44 11.053 29.556 30.895 1.00 0.00 C ATOM 685 CG PHE A 44 11.607 30.313 32.107 1.00 0.00 C ATOM 686 CD1 PHE A 44 11.109 31.562 32.446 1.00 0.00 C ATOM 687 CD2 PHE A 44 12.612 29.759 32.882 1.00 0.00 C ATOM 688 CE1 PHE A 44 11.609 32.239 33.540 1.00 0.00 C ATOM 689 CE2 PHE A 44 13.108 30.441 33.976 1.00 0.00 C ATOM 690 CZ PHE A 44 12.606 31.678 34.303 1.00 0.00 C ATOM 0 H PHE A 44 10.807 26.593 30.001 1.00 0.00 H new ATOM 0 HA PHE A 44 11.187 27.676 31.988 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.843 29.394 30.161 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.279 30.147 30.406 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.326 32.007 31.851 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.011 28.788 32.629 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.216 33.212 33.797 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.892 30.002 34.575 1.00 0.00 H new ATOM 0 HZ PHE A 44 12.995 32.209 35.159 1.00 0.00 H new ATOM 700 N ILE A 45 8.823 27.490 32.946 1.00 0.00 N ATOM 701 CA ILE A 45 7.599 27.647 33.760 1.00 0.00 C ATOM 702 C ILE A 45 7.751 26.963 35.113 1.00 0.00 C ATOM 703 O ILE A 45 7.844 25.754 35.191 1.00 0.00 O ATOM 704 CB ILE A 45 6.441 26.989 33.013 1.00 0.00 C ATOM 705 CG1 ILE A 45 5.987 27.884 31.870 1.00 0.00 C ATOM 706 CG2 ILE A 45 5.269 26.805 33.989 1.00 0.00 C ATOM 707 CD1 ILE A 45 4.886 27.168 31.083 1.00 0.00 C ATOM 0 H ILE A 45 9.311 26.601 33.058 1.00 0.00 H new ATOM 0 HA ILE A 45 7.417 28.709 33.924 1.00 0.00 H new ATOM 0 HB ILE A 45 6.765 26.028 32.614 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.616 28.832 32.259 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.828 28.115 31.216 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.433 26.336 33.470 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.583 26.172 34.819 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.958 27.777 34.372 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.555 27.803 30.261 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.275 26.231 30.684 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.044 26.960 31.743 1.00 0.00 H new ATOM 719 N ARG A 46 7.775 27.748 36.155 1.00 0.00 N ATOM 720 CA ARG A 46 7.920 27.152 37.505 1.00 0.00 C ATOM 721 C ARG A 46 6.767 26.205 37.801 1.00 0.00 C ATOM 722 O ARG A 46 5.614 26.576 37.697 1.00 0.00 O ATOM 723 CB ARG A 46 7.906 28.286 38.544 1.00 0.00 C ATOM 724 CG ARG A 46 8.092 27.684 39.941 1.00 0.00 C ATOM 725 CD ARG A 46 8.679 28.745 40.875 1.00 0.00 C ATOM 726 NE ARG A 46 7.776 29.929 40.894 1.00 0.00 N ATOM 727 CZ ARG A 46 8.147 31.007 41.528 1.00 0.00 C ATOM 728 NH1 ARG A 46 7.453 32.101 41.375 1.00 0.00 N ATOM 729 NH2 ARG A 46 9.202 30.955 42.295 1.00 0.00 N ATOM 0 H ARG A 46 7.701 28.765 36.128 1.00 0.00 H new ATOM 0 HA ARG A 46 8.855 26.593 37.549 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.702 29.000 38.333 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.965 28.833 38.492 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.136 27.331 40.328 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.754 26.820 39.892 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.790 28.341 41.881 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.673 29.036 40.536 1.00 0.00 H new ATOM 0 HE ARG A 46 6.876 29.897 40.416 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.634 32.105 40.767 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.729 32.953 41.863 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.721 30.082 42.390 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.508 31.787 42.799 1.00 0.00 H new ATOM 743 N ILE A 47 7.097 24.995 38.164 1.00 0.00 N ATOM 744 CA ILE A 47 6.035 24.008 38.473 1.00 0.00 C ATOM 745 C ILE A 47 5.754 23.976 39.969 1.00 0.00 C ATOM 746 O ILE A 47 6.643 24.202 40.768 1.00 0.00 O ATOM 747 CB ILE A 47 6.516 22.627 38.032 1.00 0.00 C ATOM 748 CG1 ILE A 47 7.087 22.699 36.619 1.00 0.00 C ATOM 749 CG2 ILE A 47 5.313 21.669 38.026 1.00 0.00 C ATOM 750 CD1 ILE A 47 5.937 22.721 35.610 1.00 0.00 C ATOM 0 H ILE A 47 8.053 24.653 38.258 1.00 0.00 H new ATOM 0 HA ILE A 47 5.121 24.288 37.949 1.00 0.00 H new ATOM 0 HB ILE A 47 7.288 22.276 38.717 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.701 23.593 36.508 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.734 21.842 36.432 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.639 20.677 37.713 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.888 21.612 39.028 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.557 22.038 37.332 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.341 22.772 34.599 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.342 21.814 35.717 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.308 23.592 35.794 1.00 0.00 H new ATOM 762 N LEU A 48 4.518 23.699 40.320 1.00 0.00 N ATOM 763 CA LEU A 48 4.150 23.646 41.764 1.00 0.00 C ATOM 764 C LEU A 48 3.507 22.314 42.116 1.00 0.00 C ATOM 765 O LEU A 48 2.658 21.819 41.399 1.00 0.00 O ATOM 766 CB LEU A 48 3.136 24.767 42.040 1.00 0.00 C ATOM 767 CG LEU A 48 3.128 25.086 43.536 1.00 0.00 C ATOM 768 CD1 LEU A 48 4.522 25.559 43.958 1.00 0.00 C ATOM 769 CD2 LEU A 48 2.115 26.198 43.804 1.00 0.00 C ATOM 0 H LEU A 48 3.756 23.509 39.669 1.00 0.00 H new ATOM 0 HA LEU A 48 5.051 23.766 42.365 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.397 25.658 41.468 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.141 24.461 41.717 1.00 0.00 H new ATOM 0 HG LEU A 48 2.856 24.195 44.103 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.521 25.788 45.024 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.250 24.773 43.756 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.789 26.454 43.395 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.104 26.431 44.869 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.395 27.088 43.241 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.123 25.869 43.494 1.00 0.00 H new ATOM 781 N GLU A 49 3.923 21.756 43.218 1.00 0.00 N ATOM 782 CA GLU A 49 3.359 20.467 43.639 1.00 0.00 C ATOM 783 C GLU A 49 1.844 20.482 43.547 1.00 0.00 C ATOM 784 O GLU A 49 1.222 21.519 43.660 1.00 0.00 O ATOM 785 CB GLU A 49 3.764 20.213 45.098 1.00 0.00 C ATOM 786 CG GLU A 49 3.497 21.478 45.921 1.00 0.00 C ATOM 787 CD GLU A 49 2.618 21.124 47.124 1.00 0.00 C ATOM 788 OE1 GLU A 49 1.437 20.923 46.893 1.00 0.00 O ATOM 789 OE2 GLU A 49 3.178 21.080 48.207 1.00 0.00 O ATOM 0 H GLU A 49 4.631 22.146 43.839 1.00 0.00 H new ATOM 0 HA GLU A 49 3.739 19.683 42.984 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.199 19.374 45.504 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.819 19.944 45.154 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.438 21.911 46.259 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.004 22.229 45.304 1.00 0.00 H new ATOM 796 N GLY A 50 1.276 19.330 43.343 1.00 0.00 N ATOM 797 CA GLY A 50 -0.202 19.259 43.239 1.00 0.00 C ATOM 798 C GLY A 50 -0.620 19.391 41.781 1.00 0.00 C ATOM 799 O GLY A 50 -1.734 19.070 41.417 1.00 0.00 O ATOM 0 H GLY A 50 1.767 18.442 43.245 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.560 18.313 43.646 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.657 20.053 43.831 1.00 0.00 H new ATOM 803 N ASP A 51 0.288 19.862 40.970 1.00 0.00 N ATOM 804 CA ASP A 51 -0.034 20.024 39.536 1.00 0.00 C ATOM 805 C ASP A 51 -0.119 18.666 38.854 1.00 0.00 C ATOM 806 O ASP A 51 0.370 17.683 39.373 1.00 0.00 O ATOM 807 CB ASP A 51 1.085 20.843 38.874 1.00 0.00 C ATOM 808 CG ASP A 51 0.680 21.186 37.439 1.00 0.00 C ATOM 809 OD1 ASP A 51 1.374 20.714 36.553 1.00 0.00 O ATOM 810 OD2 ASP A 51 -0.302 21.900 37.308 1.00 0.00 O ATOM 0 H ASP A 51 1.231 20.138 41.242 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.995 20.530 39.438 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.267 21.756 39.441 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.016 20.276 38.876 1.00 0.00 H new ATOM 815 N LYS A 52 -0.741 18.640 37.697 1.00 0.00 N ATOM 816 CA LYS A 52 -0.872 17.372 36.964 1.00 0.00 C ATOM 817 C LYS A 52 0.069 17.314 35.802 1.00 0.00 C ATOM 818 O LYS A 52 0.283 18.291 35.112 1.00 0.00 O ATOM 819 CB LYS A 52 -2.315 17.244 36.451 1.00 0.00 C ATOM 820 CG LYS A 52 -3.258 17.019 37.637 1.00 0.00 C ATOM 821 CD LYS A 52 -3.785 18.372 38.126 1.00 0.00 C ATOM 822 CE LYS A 52 -4.908 18.839 37.196 1.00 0.00 C ATOM 823 NZ LYS A 52 -4.753 20.285 36.872 1.00 0.00 N ATOM 0 H LYS A 52 -1.159 19.451 37.241 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.628 16.553 37.641 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.602 18.146 35.910 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.391 16.414 35.749 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.088 16.378 37.340 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.732 16.507 38.443 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.155 18.284 39.148 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.979 19.106 38.141 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.895 18.252 36.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.875 18.669 37.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.523 20.584 36.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.788 20.843 37.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.839 20.439 36.400 1.00 0.00 H new ATOM 837 N VAL A 53 0.611 16.154 35.595 1.00 0.00 N ATOM 838 CA VAL A 53 1.554 15.988 34.482 1.00 0.00 C ATOM 839 C VAL A 53 1.491 14.585 33.914 1.00 0.00 C ATOM 840 O VAL A 53 0.989 13.680 34.551 1.00 0.00 O ATOM 841 CB VAL A 53 2.950 16.196 35.052 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.974 17.482 35.869 1.00 0.00 C ATOM 843 CG2 VAL A 53 3.294 15.019 35.969 1.00 0.00 C ATOM 0 H VAL A 53 0.438 15.317 36.152 1.00 0.00 H new ATOM 0 HA VAL A 53 1.310 16.696 33.690 1.00 0.00 H new ATOM 0 HB VAL A 53 3.673 16.262 34.239 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.972 17.634 36.279 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.712 18.325 35.229 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.254 17.408 36.684 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.293 15.159 36.382 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.569 14.967 36.782 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.265 14.092 35.397 1.00 0.00 H new ATOM 853 N ASN A 54 2.007 14.421 32.722 1.00 0.00 N ATOM 854 CA ASN A 54 1.986 13.079 32.114 1.00 0.00 C ATOM 855 C ASN A 54 3.278 12.385 32.459 1.00 0.00 C ATOM 856 O ASN A 54 4.345 12.889 32.173 1.00 0.00 O ATOM 857 CB ASN A 54 1.847 13.217 30.595 1.00 0.00 C ATOM 858 CG ASN A 54 0.446 12.767 30.173 1.00 0.00 C ATOM 859 OD1 ASN A 54 0.030 11.660 30.449 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.310 13.593 29.503 1.00 0.00 N ATOM 0 H ASN A 54 2.435 15.155 32.158 1.00 0.00 H new ATOM 0 HA ASN A 54 1.145 12.497 32.491 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.015 14.251 30.295 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.602 12.613 30.093 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.246 13.308 29.214 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.035 14.524 29.269 1.00 0.00 H new ATOM 867 N VAL A 55 3.167 11.233 33.060 1.00 0.00 N ATOM 868 CA VAL A 55 4.380 10.490 33.440 1.00 0.00 C ATOM 869 C VAL A 55 4.658 9.335 32.509 1.00 0.00 C ATOM 870 O VAL A 55 3.756 8.663 32.049 1.00 0.00 O ATOM 871 CB VAL A 55 4.158 9.923 34.847 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.513 9.603 35.480 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.432 10.959 35.707 1.00 0.00 C ATOM 0 H VAL A 55 2.285 10.781 33.301 1.00 0.00 H new ATOM 0 HA VAL A 55 5.229 11.172 33.394 1.00 0.00 H new ATOM 0 HB VAL A 55 3.556 9.016 34.784 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.361 9.199 36.481 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.036 8.868 34.868 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.109 10.513 35.543 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.274 10.555 36.707 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.035 11.865 35.772 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.469 11.196 35.255 1.00 0.00 H new ATOM 883 N GLU A 56 5.920 9.133 32.257 1.00 0.00 N ATOM 884 CA GLU A 56 6.340 8.037 31.367 1.00 0.00 C ATOM 885 C GLU A 56 7.294 7.125 32.108 1.00 0.00 C ATOM 886 O GLU A 56 8.415 7.505 32.388 1.00 0.00 O ATOM 887 CB GLU A 56 7.082 8.645 30.164 1.00 0.00 C ATOM 888 CG GLU A 56 6.077 9.336 29.242 1.00 0.00 C ATOM 889 CD GLU A 56 6.724 9.557 27.872 1.00 0.00 C ATOM 890 OE1 GLU A 56 6.370 8.805 26.978 1.00 0.00 O ATOM 891 OE2 GLU A 56 7.532 10.468 27.796 1.00 0.00 O ATOM 0 H GLU A 56 6.682 9.693 32.639 1.00 0.00 H new ATOM 0 HA GLU A 56 5.468 7.471 31.038 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.829 9.361 30.508 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.615 7.865 29.620 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.179 8.726 29.140 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.768 10.290 29.670 1.00 0.00 H new ATOM 898 N LEU A 57 6.836 5.946 32.439 1.00 0.00 N ATOM 899 CA LEU A 57 7.733 5.014 33.166 1.00 0.00 C ATOM 900 C LEU A 57 8.599 4.265 32.167 1.00 0.00 C ATOM 901 O LEU A 57 8.101 3.743 31.178 1.00 0.00 O ATOM 902 CB LEU A 57 6.887 3.998 33.967 1.00 0.00 C ATOM 903 CG LEU A 57 5.725 4.724 34.659 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.615 3.716 34.969 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.223 5.336 35.969 1.00 0.00 C ATOM 0 H LEU A 57 5.898 5.597 32.240 1.00 0.00 H new ATOM 0 HA LEU A 57 8.365 5.581 33.849 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.501 3.226 33.301 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.509 3.497 34.709 1.00 0.00 H new ATOM 0 HG LEU A 57 5.341 5.508 34.006 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.787 4.226 35.461 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.264 3.265 34.041 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.003 2.938 35.626 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.401 5.853 36.465 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.600 4.547 36.619 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.023 6.045 35.758 1.00 0.00 H new ATOM 917 N SER A 58 9.880 4.215 32.437 1.00 0.00 N ATOM 918 CA SER A 58 10.789 3.501 31.498 1.00 0.00 C ATOM 919 C SER A 58 10.963 2.014 31.874 1.00 0.00 C ATOM 920 O SER A 58 11.083 1.679 33.036 1.00 0.00 O ATOM 921 CB SER A 58 12.163 4.182 31.571 1.00 0.00 C ATOM 922 OG SER A 58 12.425 4.283 32.962 1.00 0.00 O ATOM 0 H SER A 58 10.327 4.631 33.254 1.00 0.00 H new ATOM 0 HA SER A 58 10.358 3.545 30.498 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.927 3.594 31.063 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.148 5.163 31.096 1.00 0.00 H new ATOM 0 HG SER A 58 13.296 4.711 33.101 1.00 0.00 H new ATOM 928 N PRO A 59 10.977 1.138 30.860 1.00 0.00 N ATOM 929 CA PRO A 59 11.139 -0.300 31.092 1.00 0.00 C ATOM 930 C PRO A 59 12.507 -0.617 31.694 1.00 0.00 C ATOM 931 O PRO A 59 12.790 -1.748 32.038 1.00 0.00 O ATOM 932 CB PRO A 59 11.049 -0.941 29.690 1.00 0.00 C ATOM 933 CG PRO A 59 10.969 0.219 28.654 1.00 0.00 C ATOM 934 CD PRO A 59 10.812 1.526 29.448 1.00 0.00 C ATOM 0 HA PRO A 59 10.387 -0.671 31.788 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.919 -1.568 29.498 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.171 -1.583 29.617 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.868 0.248 28.039 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.125 0.075 27.979 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.560 2.260 29.151 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.835 1.978 29.275 1.00 0.00 H new ATOM 942 N TYR A 60 13.330 0.389 31.810 1.00 0.00 N ATOM 943 CA TYR A 60 14.656 0.176 32.374 1.00 0.00 C ATOM 944 C TYR A 60 14.587 0.351 33.863 1.00 0.00 C ATOM 945 O TYR A 60 15.413 -0.150 34.599 1.00 0.00 O ATOM 946 CB TYR A 60 15.616 1.222 31.785 1.00 0.00 C ATOM 947 CG TYR A 60 16.235 0.671 30.500 1.00 0.00 C ATOM 948 CD1 TYR A 60 17.130 -0.379 30.547 1.00 0.00 C ATOM 949 CD2 TYR A 60 15.908 1.215 29.275 1.00 0.00 C ATOM 950 CE1 TYR A 60 17.687 -0.877 29.387 1.00 0.00 C ATOM 951 CE2 TYR A 60 16.465 0.717 28.114 1.00 0.00 C ATOM 952 CZ TYR A 60 17.360 -0.333 28.162 1.00 0.00 C ATOM 953 OH TYR A 60 17.915 -0.832 27.002 1.00 0.00 O ATOM 0 H TYR A 60 13.123 1.348 31.532 1.00 0.00 H new ATOM 0 HA TYR A 60 15.009 -0.828 32.138 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.080 2.148 31.576 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.398 1.462 32.506 1.00 0.00 H new ATOM 0 HD1 TYR A 60 17.396 -0.814 31.499 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.210 2.038 29.224 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.385 -1.700 29.438 1.00 0.00 H new ATOM 0 HE2 TYR A 60 16.199 1.152 27.162 1.00 0.00 H new ATOM 0 HH TYR A 60 17.572 -0.331 26.233 1.00 0.00 H new ATOM 963 N ASP A 61 13.591 1.071 34.279 1.00 0.00 N ATOM 964 CA ASP A 61 13.419 1.309 35.709 1.00 0.00 C ATOM 965 C ASP A 61 11.947 1.515 36.030 1.00 0.00 C ATOM 966 O ASP A 61 11.456 2.627 36.017 1.00 0.00 O ATOM 967 CB ASP A 61 14.203 2.571 36.098 1.00 0.00 C ATOM 968 CG ASP A 61 15.698 2.243 36.137 1.00 0.00 C ATOM 969 OD1 ASP A 61 16.297 2.318 35.077 1.00 0.00 O ATOM 970 OD2 ASP A 61 16.156 1.934 37.226 1.00 0.00 O ATOM 0 H ASP A 61 12.890 1.503 33.677 1.00 0.00 H new ATOM 0 HA ASP A 61 13.787 0.448 36.267 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.012 3.368 35.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.872 2.933 37.071 1.00 0.00 H new ATOM 975 N LEU A 62 11.268 0.439 36.314 1.00 0.00 N ATOM 976 CA LEU A 62 9.826 0.552 36.637 1.00 0.00 C ATOM 977 C LEU A 62 9.637 1.225 37.977 1.00 0.00 C ATOM 978 O LEU A 62 8.622 1.057 38.626 1.00 0.00 O ATOM 979 CB LEU A 62 9.221 -0.857 36.687 1.00 0.00 C ATOM 980 CG LEU A 62 9.246 -1.457 35.281 1.00 0.00 C ATOM 981 CD1 LEU A 62 9.523 -2.958 35.376 1.00 0.00 C ATOM 982 CD2 LEU A 62 7.886 -1.234 34.614 1.00 0.00 C ATOM 0 H LEU A 62 11.650 -0.507 36.336 1.00 0.00 H new ATOM 0 HA LEU A 62 9.331 1.151 35.872 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.786 -1.486 37.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.198 -0.815 37.061 1.00 0.00 H new ATOM 0 HG LEU A 62 10.027 -0.978 34.691 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.541 -3.389 34.375 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.487 -3.120 35.859 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.738 -3.436 35.962 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.899 -1.660 33.611 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.108 -1.718 35.204 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.682 -0.165 34.552 1.00 0.00 H new ATOM 994 N THR A 63 10.629 1.972 38.360 1.00 0.00 N ATOM 995 CA THR A 63 10.572 2.692 39.657 1.00 0.00 C ATOM 996 C THR A 63 10.673 4.191 39.429 1.00 0.00 C ATOM 997 O THR A 63 10.496 4.974 40.342 1.00 0.00 O ATOM 998 CB THR A 63 11.762 2.248 40.510 1.00 0.00 C ATOM 999 OG1 THR A 63 11.991 0.899 40.163 1.00 0.00 O ATOM 1000 CG2 THR A 63 11.379 2.207 41.997 1.00 0.00 C ATOM 0 H THR A 63 11.485 2.116 37.825 1.00 0.00 H new ATOM 0 HA THR A 63 9.629 2.466 40.155 1.00 0.00 H new ATOM 0 HB THR A 63 12.604 2.922 40.350 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.749 0.553 40.678 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.239 1.889 42.586 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.066 3.200 42.320 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.560 1.503 42.142 1.00 0.00 H new ATOM 1008 N ARG A 64 10.963 4.566 38.205 1.00 0.00 N ATOM 1009 CA ARG A 64 11.081 6.010 37.893 1.00 0.00 C ATOM 1010 C ARG A 64 10.533 6.322 36.502 1.00 0.00 C ATOM 1011 O ARG A 64 10.568 5.488 35.602 1.00 0.00 O ATOM 1012 CB ARG A 64 12.571 6.397 37.928 1.00 0.00 C ATOM 1013 CG ARG A 64 13.266 5.663 39.080 1.00 0.00 C ATOM 1014 CD ARG A 64 14.778 5.883 38.977 1.00 0.00 C ATOM 1015 NE ARG A 64 15.265 6.530 40.229 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.351 6.084 40.801 1.00 0.00 C ATOM 1017 NH1 ARG A 64 16.263 5.527 41.977 1.00 0.00 N ATOM 1018 NH2 ARG A 64 17.489 6.214 40.175 1.00 0.00 N ATOM 0 H ARG A 64 11.120 3.934 37.420 1.00 0.00 H new ATOM 0 HA ARG A 64 10.507 6.573 38.629 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.046 6.141 36.981 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.674 7.475 38.055 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.897 6.032 40.037 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.038 4.598 39.039 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.287 4.931 38.824 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.009 6.510 38.116 1.00 0.00 H new ATOM 0 HE ARG A 64 14.754 7.314 40.635 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.356 5.445 42.436 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.101 5.173 42.438 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.518 6.657 39.257 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.349 5.872 40.604 1.00 0.00 H new ATOM 1032 N GLY A 65 10.036 7.520 36.354 1.00 0.00 N ATOM 1033 CA GLY A 65 9.473 7.935 35.039 1.00 0.00 C ATOM 1034 C GLY A 65 9.951 9.345 34.695 1.00 0.00 C ATOM 1035 O GLY A 65 11.017 9.762 35.109 1.00 0.00 O ATOM 0 H GLY A 65 9.996 8.228 37.087 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.784 7.236 34.263 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.384 7.908 35.074 1.00 0.00 H new ATOM 1039 N ARG A 66 9.174 10.049 33.928 1.00 0.00 N ATOM 1040 CA ARG A 66 9.603 11.426 33.570 1.00 0.00 C ATOM 1041 C ARG A 66 8.462 12.246 32.954 1.00 0.00 C ATOM 1042 O ARG A 66 7.641 11.726 32.222 1.00 0.00 O ATOM 1043 CB ARG A 66 10.745 11.318 32.546 1.00 0.00 C ATOM 1044 CG ARG A 66 10.382 10.264 31.492 1.00 0.00 C ATOM 1045 CD ARG A 66 11.616 9.960 30.643 1.00 0.00 C ATOM 1046 NE ARG A 66 12.568 11.099 30.750 1.00 0.00 N ATOM 1047 CZ ARG A 66 13.650 11.097 30.023 1.00 0.00 C ATOM 1048 NH1 ARG A 66 13.553 11.348 28.747 1.00 0.00 N ATOM 1049 NH2 ARG A 66 14.794 10.842 30.597 1.00 0.00 N ATOM 0 H ARG A 66 8.282 9.742 33.541 1.00 0.00 H new ATOM 0 HA ARG A 66 9.922 11.935 34.480 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.914 12.283 32.069 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.673 11.044 33.047 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.026 9.355 31.976 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.571 10.627 30.860 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.090 9.039 30.983 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.329 9.805 29.603 1.00 0.00 H new ATOM 0 HE ARG A 66 12.376 11.873 31.386 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.641 11.542 28.333 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.389 11.351 28.163 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.831 10.649 31.598 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.652 10.836 30.045 1.00 0.00 H new ATOM 1063 N ILE A 67 8.439 13.526 33.270 1.00 0.00 N ATOM 1064 CA ILE A 67 7.374 14.411 32.724 1.00 0.00 C ATOM 1065 C ILE A 67 7.842 15.061 31.434 1.00 0.00 C ATOM 1066 O ILE A 67 8.843 15.750 31.416 1.00 0.00 O ATOM 1067 CB ILE A 67 7.098 15.519 33.732 1.00 0.00 C ATOM 1068 CG1 ILE A 67 6.247 14.983 34.868 1.00 0.00 C ATOM 1069 CG2 ILE A 67 6.315 16.638 33.021 1.00 0.00 C ATOM 1070 CD1 ILE A 67 6.861 13.688 35.383 1.00 0.00 C ATOM 0 H ILE A 67 9.114 13.986 33.881 1.00 0.00 H new ATOM 0 HA ILE A 67 6.481 13.816 32.534 1.00 0.00 H new ATOM 0 HB ILE A 67 8.041 15.895 34.130 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.188 15.717 35.672 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.228 14.805 34.523 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.107 17.442 33.727 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.907 17.027 32.193 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.375 16.239 32.639 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.254 13.297 36.200 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.897 12.956 34.576 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.872 13.882 35.742 1.00 0.00 H new ATOM 1082 N THR A 68 7.108 14.832 30.381 1.00 0.00 N ATOM 1083 CA THR A 68 7.480 15.423 29.070 1.00 0.00 C ATOM 1084 C THR A 68 6.321 16.224 28.513 1.00 0.00 C ATOM 1085 O THR A 68 6.359 16.689 27.392 1.00 0.00 O ATOM 1086 CB THR A 68 7.804 14.280 28.107 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.641 13.480 28.068 1.00 0.00 O ATOM 1088 CG2 THR A 68 8.886 13.362 28.699 1.00 0.00 C ATOM 0 H THR A 68 6.264 14.259 30.374 1.00 0.00 H new ATOM 0 HA THR A 68 8.339 16.082 29.193 1.00 0.00 H new ATOM 0 HB THR A 68 8.126 14.685 27.148 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.853 14.053 27.960 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.102 12.555 27.998 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.793 13.938 28.880 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.531 12.940 29.639 1.00 0.00 H new ATOM 1096 N TRP A 69 5.299 16.372 29.315 1.00 0.00 N ATOM 1097 CA TRP A 69 4.126 17.131 28.860 1.00 0.00 C ATOM 1098 C TRP A 69 3.197 17.439 30.031 1.00 0.00 C ATOM 1099 O TRP A 69 2.572 16.554 30.581 1.00 0.00 O ATOM 1100 CB TRP A 69 3.370 16.251 27.852 1.00 0.00 C ATOM 1101 CG TRP A 69 3.782 14.778 28.058 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.143 14.251 29.226 1.00 0.00 C ATOM 1103 CD2 TRP A 69 3.836 13.883 27.105 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.428 12.977 28.931 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.254 12.655 27.594 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.533 14.022 25.765 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.363 11.576 26.742 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 3.645 12.940 24.916 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.060 11.719 25.404 1.00 0.00 C ATOM 0 H TRP A 69 5.238 15.996 30.261 1.00 0.00 H new ATOM 0 HA TRP A 69 4.447 18.072 28.413 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.294 16.363 27.988 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.597 16.566 26.834 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.194 14.738 30.188 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.745 12.303 29.628 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.208 14.978 25.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.686 10.618 27.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.407 13.050 23.868 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.148 10.874 24.738 1.00 0.00 H new ATOM 1120 N ARG A 70 3.123 18.688 30.388 1.00 0.00 N ATOM 1121 CA ARG A 70 2.253 19.075 31.503 1.00 0.00 C ATOM 1122 C ARG A 70 0.787 19.041 31.087 1.00 0.00 C ATOM 1123 O ARG A 70 0.476 19.025 29.913 1.00 0.00 O ATOM 1124 CB ARG A 70 2.614 20.504 31.924 1.00 0.00 C ATOM 1125 CG ARG A 70 2.508 21.415 30.706 1.00 0.00 C ATOM 1126 CD ARG A 70 2.627 22.872 31.155 1.00 0.00 C ATOM 1127 NE ARG A 70 1.568 23.671 30.479 1.00 0.00 N ATOM 1128 CZ ARG A 70 1.710 24.964 30.373 1.00 0.00 C ATOM 1129 NH1 ARG A 70 2.039 25.652 31.433 1.00 0.00 N ATOM 1130 NH2 ARG A 70 1.522 25.525 29.211 1.00 0.00 N ATOM 0 H ARG A 70 3.634 19.453 29.947 1.00 0.00 H new ATOM 0 HA ARG A 70 2.397 18.375 32.326 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.943 20.847 32.711 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.625 20.534 32.331 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.295 21.177 29.990 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.556 21.255 30.199 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.520 22.943 32.237 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.613 23.264 30.905 1.00 0.00 H new ATOM 0 HE ARG A 70 0.739 23.212 30.102 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.181 25.178 32.325 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.154 26.663 31.369 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.268 24.955 28.404 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.628 26.534 29.109 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.086 19.025 32.062 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.540 18.993 31.751 1.00 0.00 C ATOM 1146 C LYS A 71 -1.871 19.908 30.575 1.00 0.00 C ATOM 1147 O LYS A 71 -1.434 21.040 30.527 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.304 19.489 32.988 1.00 0.00 C ATOM 1149 CG LYS A 71 -3.513 18.585 33.231 1.00 0.00 C ATOM 1150 CD LYS A 71 -4.579 18.877 32.173 1.00 0.00 C ATOM 1151 CE LYS A 71 -5.923 18.329 32.655 1.00 0.00 C ATOM 1152 NZ LYS A 71 -5.715 17.273 33.687 1.00 0.00 N ATOM 0 H LYS A 71 0.147 19.033 33.055 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.824 17.974 31.488 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.650 19.483 33.860 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.629 20.519 32.840 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.214 17.538 33.185 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.917 18.757 34.229 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.651 19.950 31.998 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.303 18.417 31.224 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.525 19.138 33.070 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.479 17.918 31.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.592 16.727 33.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.950 16.637 33.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.457 17.717 34.591 1.00 0.00 H new ATOM 1166 N LYS A 72 -2.640 19.401 29.648 1.00 0.00 N ATOM 1167 CA LYS A 72 -3.005 20.229 28.472 1.00 0.00 C ATOM 1168 C LYS A 72 -4.091 21.236 28.836 1.00 0.00 C ATOM 1169 O LYS A 72 -4.461 21.977 27.942 1.00 0.00 O ATOM 1170 CB LYS A 72 -3.542 19.302 27.370 1.00 0.00 C ATOM 1171 CG LYS A 72 -4.563 18.334 27.976 1.00 0.00 C ATOM 1172 CD LYS A 72 -5.168 17.482 26.858 1.00 0.00 C ATOM 1173 CE LYS A 72 -6.454 16.825 27.368 1.00 0.00 C ATOM 1174 NZ LYS A 72 -7.562 17.821 27.424 1.00 0.00 N ATOM 0 H LYS A 72 -3.026 18.457 29.657 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.123 20.771 28.132 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.007 19.890 26.578 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.722 18.746 26.915 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.082 17.696 28.717 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.347 18.888 28.493 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.382 18.102 25.987 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.457 16.720 26.540 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.732 15.999 26.713 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.286 16.403 28.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.474 17.323 27.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.450 18.418 28.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.536 18.417 26.572 1.00 0.00 H new TER 1188 LYS A 72