USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 1 SER OG : rot 130:sc= 0.854 USER MOD Set 1.2: A 3 THR OG1 : rot -104:sc= -0.762 USER MOD Set 1.3: A 6 GLN : amide:sc= -0.52 K(o=-0.43,f=-7!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0.273 (180deg=0.272) USER MOD Single : A 14 MET CE :methyl -158:sc= -0.0682 (180deg=-0.512) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 166:sc= -1.65 (180deg=-2.51) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 120:sc= 0.837 USER MOD Single : B 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.027) USER MOD Single : B 14 MET CE :methyl -147:sc= 0 (180deg=-0.74) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0702 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 84:sc= 0.511 USER MOD Single : B 26 MET CE :methyl 175:sc= -1.4 (180deg=-1.47) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 21:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.650 -2.925 -13.774 1.00 0.00 N ATOM 2 CA SER A 1 4.204 -3.058 -13.814 1.00 0.00 C ATOM 3 C SER A 1 3.594 -2.526 -12.516 1.00 0.00 C ATOM 4 O SER A 1 3.118 -3.300 -11.687 1.00 0.00 O ATOM 5 CB SER A 1 3.790 -4.514 -14.038 1.00 0.00 C ATOM 6 OG SER A 1 2.387 -4.643 -14.252 1.00 0.00 O ATOM 0 H1 SER A 1 6.057 -3.289 -14.659 1.00 0.00 H new ATOM 0 H2 SER A 1 5.903 -1.923 -13.663 1.00 0.00 H new ATOM 0 H3 SER A 1 6.027 -3.469 -12.971 1.00 0.00 H new ATOM 0 HA SER A 1 3.830 -2.470 -14.652 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.326 -4.915 -14.898 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.081 -5.111 -13.174 1.00 0.00 H new ATOM 0 HG SER A 1 2.227 -5.180 -15.056 1.00 0.00 H new ATOM 12 N ILE A 2 3.627 -1.208 -12.380 1.00 0.00 N ATOM 13 CA ILE A 2 3.075 -0.564 -11.201 1.00 0.00 C ATOM 14 C ILE A 2 1.733 0.080 -11.557 1.00 0.00 C ATOM 15 O ILE A 2 1.572 1.294 -11.441 1.00 0.00 O ATOM 16 CB ILE A 2 4.087 0.416 -10.603 1.00 0.00 C ATOM 17 CG1 ILE A 2 5.492 -0.189 -10.587 1.00 0.00 C ATOM 18 CG2 ILE A 2 3.646 0.879 -9.212 1.00 0.00 C ATOM 19 CD1 ILE A 2 6.492 0.764 -9.929 1.00 0.00 C ATOM 0 H ILE A 2 4.027 -0.569 -13.067 1.00 0.00 H new ATOM 0 HA ILE A 2 2.879 -1.300 -10.422 1.00 0.00 H new ATOM 0 HB ILE A 2 4.124 1.300 -11.240 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.478 -1.136 -10.048 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.809 -0.408 -11.607 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.382 1.575 -8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.679 1.376 -9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.562 0.016 -8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.483 0.310 -9.931 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.522 1.701 -10.485 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.185 0.961 -8.902 1.00 0.00 H new ATOM 31 N THR A 3 0.804 -0.763 -11.985 1.00 0.00 N ATOM 32 CA THR A 3 -0.516 -0.291 -12.365 1.00 0.00 C ATOM 33 C THR A 3 -1.460 -0.319 -11.161 1.00 0.00 C ATOM 34 O THR A 3 -1.201 -1.017 -10.181 1.00 0.00 O ATOM 35 CB THR A 3 -1.003 -1.143 -13.539 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.833 -2.484 -13.088 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.084 -1.041 -14.757 1.00 0.00 C ATOM 0 H THR A 3 0.940 -1.770 -12.077 1.00 0.00 H new ATOM 0 HA THR A 3 -0.486 0.749 -12.690 1.00 0.00 H new ATOM 0 HB THR A 3 -2.011 -0.835 -13.818 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.045 -2.876 -13.518 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.475 -1.664 -15.561 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.037 -0.005 -15.091 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.916 -1.381 -14.488 1.00 0.00 H new ATOM 45 N LYS A 4 -2.534 0.447 -11.273 1.00 0.00 N ATOM 46 CA LYS A 4 -3.502 0.542 -10.194 1.00 0.00 C ATOM 47 C LYS A 4 -4.073 -0.847 -9.903 1.00 0.00 C ATOM 48 O LYS A 4 -4.252 -1.218 -8.744 1.00 0.00 O ATOM 49 CB LYS A 4 -4.569 1.589 -10.522 1.00 0.00 C ATOM 50 CG LYS A 4 -4.194 2.954 -9.942 1.00 0.00 C ATOM 51 CD LYS A 4 -2.938 3.510 -10.615 1.00 0.00 C ATOM 52 CE LYS A 4 -3.211 3.865 -12.078 1.00 0.00 C ATOM 53 NZ LYS A 4 -2.162 4.771 -12.596 1.00 0.00 N ATOM 0 H LYS A 4 -2.756 1.008 -12.095 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.020 0.887 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.685 1.669 -11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.531 1.271 -10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.022 3.650 -10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.026 2.863 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.596 4.396 -10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.135 2.775 -10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.244 2.956 -12.679 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.187 4.341 -12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.372 5.016 -13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.138 5.638 -12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.238 4.297 -12.545 1.00 0.00 H new ATOM 67 N ASP A 5 -4.343 -1.578 -10.975 1.00 0.00 N ATOM 68 CA ASP A 5 -4.932 -2.900 -10.850 1.00 0.00 C ATOM 69 C ASP A 5 -3.978 -3.807 -10.070 1.00 0.00 C ATOM 70 O ASP A 5 -4.397 -4.516 -9.157 1.00 0.00 O ATOM 71 CB ASP A 5 -5.166 -3.530 -12.224 1.00 0.00 C ATOM 72 CG ASP A 5 -6.416 -3.040 -12.957 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.339 -2.573 -12.254 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.421 -3.142 -14.202 1.00 0.00 O ATOM 0 H ASP A 5 -4.165 -1.279 -11.934 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.886 -2.797 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.296 -3.333 -12.850 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.234 -4.611 -12.104 1.00 0.00 H new ATOM 79 N GLN A 6 -2.712 -3.755 -10.459 1.00 0.00 N ATOM 80 CA GLN A 6 -1.700 -4.582 -9.825 1.00 0.00 C ATOM 81 C GLN A 6 -1.697 -4.351 -8.313 1.00 0.00 C ATOM 82 O GLN A 6 -1.340 -5.244 -7.545 1.00 0.00 O ATOM 83 CB GLN A 6 -0.318 -4.312 -10.423 1.00 0.00 C ATOM 84 CG GLN A 6 0.063 -5.396 -11.434 1.00 0.00 C ATOM 85 CD GLN A 6 -0.837 -5.333 -12.670 1.00 0.00 C ATOM 86 OE1 GLN A 6 -2.051 -5.252 -12.583 1.00 0.00 O ATOM 87 NE2 GLN A 6 -0.175 -5.375 -13.823 1.00 0.00 N ATOM 0 H GLN A 6 -2.365 -3.153 -11.205 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.943 -5.628 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.313 -3.337 -10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.426 -4.274 -9.627 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.104 -5.271 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.020 -6.378 -10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.843 -5.443 -13.825 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.685 -5.339 -14.706 1.00 0.00 H new ATOM 96 N ILE A 7 -2.099 -3.148 -7.929 1.00 0.00 N ATOM 97 CA ILE A 7 -2.104 -2.773 -6.525 1.00 0.00 C ATOM 98 C ILE A 7 -3.307 -3.418 -5.834 1.00 0.00 C ATOM 99 O ILE A 7 -3.233 -3.779 -4.660 1.00 0.00 O ATOM 100 CB ILE A 7 -2.053 -1.251 -6.377 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.719 -0.696 -6.881 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.341 -0.831 -4.934 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.814 0.809 -7.139 1.00 0.00 C ATOM 0 H ILE A 7 -2.424 -2.420 -8.566 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.210 -3.149 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.837 -0.820 -7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.062 -0.894 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.431 -1.209 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.299 0.255 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.334 -1.177 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.596 -1.272 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.147 1.178 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.579 1.002 -7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.078 1.321 -6.214 1.00 0.00 H new ATOM 115 N ILE A 8 -4.387 -3.544 -6.591 1.00 0.00 N ATOM 116 CA ILE A 8 -5.602 -4.143 -6.067 1.00 0.00 C ATOM 117 C ILE A 8 -5.296 -5.559 -5.574 1.00 0.00 C ATOM 118 O ILE A 8 -5.648 -5.919 -4.452 1.00 0.00 O ATOM 119 CB ILE A 8 -6.721 -4.084 -7.109 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.988 -2.642 -7.545 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.987 -4.770 -6.594 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.577 -1.821 -6.396 1.00 0.00 C ATOM 0 H ILE A 8 -4.446 -3.241 -7.563 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.966 -3.577 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.394 -4.633 -7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.060 -2.184 -7.885 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.675 -2.636 -8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.766 -4.714 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.770 -5.815 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.328 -4.271 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.757 -0.800 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.518 -2.268 -6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.877 -1.809 -5.561 1.00 0.00 H new ATOM 134 N GLU A 9 -4.643 -6.324 -6.437 1.00 0.00 N ATOM 135 CA GLU A 9 -4.310 -7.700 -6.114 1.00 0.00 C ATOM 136 C GLU A 9 -3.283 -7.746 -4.980 1.00 0.00 C ATOM 137 O GLU A 9 -3.062 -8.796 -4.380 1.00 0.00 O ATOM 138 CB GLU A 9 -3.797 -8.445 -7.348 1.00 0.00 C ATOM 139 CG GLU A 9 -4.875 -8.518 -8.431 1.00 0.00 C ATOM 140 CD GLU A 9 -4.538 -9.592 -9.468 1.00 0.00 C ATOM 141 OE1 GLU A 9 -4.949 -10.751 -9.238 1.00 0.00 O ATOM 142 OE2 GLU A 9 -3.879 -9.231 -10.466 1.00 0.00 O ATOM 0 H GLU A 9 -4.336 -6.016 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.217 -8.203 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.915 -7.940 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.489 -9.452 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.840 -8.738 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.968 -7.549 -8.922 1.00 0.00 H new ATOM 149 N ALA A 10 -2.684 -6.593 -4.721 1.00 0.00 N ATOM 150 CA ALA A 10 -1.674 -6.491 -3.682 1.00 0.00 C ATOM 151 C ALA A 10 -2.356 -6.488 -2.312 1.00 0.00 C ATOM 152 O ALA A 10 -1.885 -7.135 -1.378 1.00 0.00 O ATOM 153 CB ALA A 10 -0.826 -5.239 -3.914 1.00 0.00 C ATOM 0 H ALA A 10 -2.879 -5.721 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.003 -7.349 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.068 -5.163 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.340 -5.304 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.465 -4.356 -3.886 1.00 0.00 H new ATOM 159 N VAL A 11 -3.455 -5.752 -2.236 1.00 0.00 N ATOM 160 CA VAL A 11 -4.214 -5.666 -1.000 1.00 0.00 C ATOM 161 C VAL A 11 -4.877 -7.016 -0.719 1.00 0.00 C ATOM 162 O VAL A 11 -5.104 -7.372 0.437 1.00 0.00 O ATOM 163 CB VAL A 11 -5.217 -4.513 -1.080 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.265 -4.620 0.029 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.502 -3.161 -1.031 1.00 0.00 C ATOM 0 H VAL A 11 -3.838 -5.210 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.553 -5.447 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.734 -4.584 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.965 -3.789 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.806 -5.561 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.772 -4.587 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.237 -2.358 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.946 -3.077 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.812 -3.083 -1.872 1.00 0.00 H new ATOM 175 N ALA A 12 -5.168 -7.732 -1.795 1.00 0.00 N ATOM 176 CA ALA A 12 -5.801 -9.035 -1.679 1.00 0.00 C ATOM 177 C ALA A 12 -4.732 -10.094 -1.403 1.00 0.00 C ATOM 178 O ALA A 12 -5.042 -11.278 -1.281 1.00 0.00 O ATOM 179 CB ALA A 12 -6.600 -9.330 -2.950 1.00 0.00 C ATOM 0 H ALA A 12 -4.977 -7.434 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.501 -9.048 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.075 -10.307 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.365 -8.566 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.930 -9.328 -3.810 1.00 0.00 H new ATOM 185 N ALA A 13 -3.494 -9.629 -1.312 1.00 0.00 N ATOM 186 CA ALA A 13 -2.376 -10.523 -1.061 1.00 0.00 C ATOM 187 C ALA A 13 -2.016 -10.475 0.425 1.00 0.00 C ATOM 188 O ALA A 13 -1.444 -11.424 0.960 1.00 0.00 O ATOM 189 CB ALA A 13 -1.200 -10.134 -1.959 1.00 0.00 C ATOM 0 H ALA A 13 -3.241 -8.646 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.644 -11.552 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.361 -10.804 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.499 -10.211 -3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.900 -9.109 -1.742 1.00 0.00 H new ATOM 195 N MET A 14 -2.364 -9.360 1.051 1.00 0.00 N ATOM 196 CA MET A 14 -2.051 -9.161 2.455 1.00 0.00 C ATOM 197 C MET A 14 -3.209 -9.616 3.346 1.00 0.00 C ATOM 198 O MET A 14 -4.304 -9.887 2.856 1.00 0.00 O ATOM 199 CB MET A 14 -1.763 -7.679 2.709 1.00 0.00 C ATOM 200 CG MET A 14 -0.616 -7.184 1.825 1.00 0.00 C ATOM 201 SD MET A 14 -1.035 -5.602 1.112 1.00 0.00 S ATOM 202 CE MET A 14 0.319 -4.616 1.730 1.00 0.00 C ATOM 0 H MET A 14 -2.860 -8.585 0.611 1.00 0.00 H new ATOM 0 HA MET A 14 -1.173 -9.759 2.700 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.659 -7.091 2.511 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.509 -7.529 3.758 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.297 -7.096 2.414 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.417 -7.907 1.034 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.035 -3.564 1.725 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.557 -4.923 2.748 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.193 -4.759 1.094 1.00 0.00 H new ATOM 212 N SER A 15 -2.927 -9.686 4.639 1.00 0.00 N ATOM 213 CA SER A 15 -3.925 -10.124 5.599 1.00 0.00 C ATOM 214 C SER A 15 -4.885 -8.976 5.917 1.00 0.00 C ATOM 215 O SER A 15 -4.558 -7.811 5.700 1.00 0.00 O ATOM 216 CB SER A 15 -3.267 -10.636 6.882 1.00 0.00 C ATOM 217 OG SER A 15 -1.978 -10.064 7.087 1.00 0.00 O ATOM 0 H SER A 15 -2.022 -9.447 5.044 1.00 0.00 H new ATOM 0 HA SER A 15 -4.487 -10.947 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.906 -10.404 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.179 -11.721 6.836 1.00 0.00 H new ATOM 0 HG SER A 15 -1.593 -10.415 7.917 1.00 0.00 H new ATOM 223 N VAL A 16 -6.051 -9.346 6.425 1.00 0.00 N ATOM 224 CA VAL A 16 -7.061 -8.362 6.775 1.00 0.00 C ATOM 225 C VAL A 16 -6.466 -7.355 7.762 1.00 0.00 C ATOM 226 O VAL A 16 -6.714 -6.155 7.656 1.00 0.00 O ATOM 227 CB VAL A 16 -8.310 -9.062 7.315 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.346 -8.043 7.793 1.00 0.00 C ATOM 229 CG2 VAL A 16 -8.908 -10.001 6.266 1.00 0.00 C ATOM 0 H VAL A 16 -6.319 -10.314 6.603 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.374 -7.805 5.891 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.012 -9.664 8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.224 -8.567 8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.916 -7.433 8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.637 -7.402 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.794 -10.486 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.184 -9.429 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.173 -10.758 5.994 1.00 0.00 H new ATOM 239 N MET A 17 -5.692 -7.881 8.700 1.00 0.00 N ATOM 240 CA MET A 17 -5.065 -7.045 9.709 1.00 0.00 C ATOM 241 C MET A 17 -4.179 -5.977 9.062 1.00 0.00 C ATOM 242 O MET A 17 -4.241 -4.806 9.433 1.00 0.00 O ATOM 243 CB MET A 17 -4.218 -7.915 10.640 1.00 0.00 C ATOM 244 CG MET A 17 -5.035 -8.381 11.847 1.00 0.00 C ATOM 245 SD MET A 17 -6.149 -9.689 11.363 1.00 0.00 S ATOM 246 CE MET A 17 -7.076 -9.882 12.875 1.00 0.00 C ATOM 0 H MET A 17 -5.485 -8.876 8.782 1.00 0.00 H new ATOM 0 HA MET A 17 -5.849 -6.545 10.278 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.843 -8.781 10.094 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.349 -7.352 10.980 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.368 -8.733 12.634 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.600 -7.545 12.259 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.822 -10.666 12.747 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.399 -10.154 13.685 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.574 -8.944 13.119 1.00 0.00 H new ATOM 256 N ASP A 18 -3.376 -6.420 8.107 1.00 0.00 N ATOM 257 CA ASP A 18 -2.450 -5.525 7.432 1.00 0.00 C ATOM 258 C ASP A 18 -3.241 -4.451 6.683 1.00 0.00 C ATOM 259 O ASP A 18 -2.758 -3.335 6.497 1.00 0.00 O ATOM 260 CB ASP A 18 -1.597 -6.282 6.412 1.00 0.00 C ATOM 261 CG ASP A 18 -0.492 -5.454 5.753 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.838 -4.664 4.848 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.673 -5.629 6.169 1.00 0.00 O ATOM 0 H ASP A 18 -3.347 -7.387 7.784 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.800 -5.080 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.142 -7.140 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.251 -6.673 5.633 1.00 0.00 H new ATOM 268 N VAL A 19 -4.444 -4.825 6.273 1.00 0.00 N ATOM 269 CA VAL A 19 -5.293 -3.918 5.519 1.00 0.00 C ATOM 270 C VAL A 19 -5.953 -2.926 6.479 1.00 0.00 C ATOM 271 O VAL A 19 -6.224 -1.785 6.108 1.00 0.00 O ATOM 272 CB VAL A 19 -6.306 -4.715 4.694 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.376 -3.795 4.103 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.607 -5.519 3.596 1.00 0.00 C ATOM 0 H VAL A 19 -4.851 -5.744 6.449 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.700 -3.339 4.811 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.802 -5.420 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.083 -4.386 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.905 -3.287 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.903 -3.056 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.349 -6.076 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.073 -4.840 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.900 -6.215 4.048 1.00 0.00 H new ATOM 284 N VAL A 20 -6.192 -3.398 7.694 1.00 0.00 N ATOM 285 CA VAL A 20 -6.788 -2.557 8.719 1.00 0.00 C ATOM 286 C VAL A 20 -5.787 -1.474 9.128 1.00 0.00 C ATOM 287 O VAL A 20 -6.098 -0.285 9.077 1.00 0.00 O ATOM 288 CB VAL A 20 -7.253 -3.417 9.895 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.461 -2.564 11.149 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.525 -4.189 9.540 1.00 0.00 C ATOM 0 H VAL A 20 -5.984 -4.351 7.992 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.674 -2.052 8.333 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.469 -4.143 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.792 -3.199 11.971 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.523 -2.080 11.420 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.217 -1.804 10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.834 -4.793 10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.318 -3.486 9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.330 -4.839 8.687 1.00 0.00 H new ATOM 300 N GLU A 21 -4.606 -1.924 9.526 1.00 0.00 N ATOM 301 CA GLU A 21 -3.553 -1.008 9.929 1.00 0.00 C ATOM 302 C GLU A 21 -3.269 -0.001 8.812 1.00 0.00 C ATOM 303 O GLU A 21 -3.139 1.195 9.069 1.00 0.00 O ATOM 304 CB GLU A 21 -2.284 -1.769 10.317 1.00 0.00 C ATOM 305 CG GLU A 21 -2.412 -2.370 11.718 1.00 0.00 C ATOM 306 CD GLU A 21 -1.943 -1.378 12.785 1.00 0.00 C ATOM 307 OE1 GLU A 21 -2.282 -0.184 12.638 1.00 0.00 O ATOM 308 OE2 GLU A 21 -1.257 -1.837 13.724 1.00 0.00 O ATOM 0 H GLU A 21 -4.355 -2.911 9.578 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.892 -0.460 10.808 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.095 -2.562 9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.427 -1.096 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.449 -2.648 11.905 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.821 -3.284 11.781 1.00 0.00 H new ATOM 315 N LEU A 22 -3.181 -0.522 7.598 1.00 0.00 N ATOM 316 CA LEU A 22 -2.912 0.316 6.441 1.00 0.00 C ATOM 317 C LEU A 22 -3.957 1.431 6.372 1.00 0.00 C ATOM 318 O LEU A 22 -3.633 2.603 6.562 1.00 0.00 O ATOM 319 CB LEU A 22 -2.833 -0.533 5.171 1.00 0.00 C ATOM 320 CG LEU A 22 -2.540 0.225 3.875 1.00 0.00 C ATOM 321 CD1 LEU A 22 -3.812 0.866 3.315 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.424 1.251 4.080 1.00 0.00 C ATOM 0 H LEU A 22 -3.291 -1.514 7.389 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.938 0.796 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.059 -1.288 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.778 -1.063 5.053 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.187 -0.491 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.576 1.399 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.549 0.090 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.218 1.566 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.236 1.776 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.725 1.968 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.515 0.741 4.399 1.00 0.00 H new ATOM 334 N ILE A 23 -5.189 1.028 6.098 1.00 0.00 N ATOM 335 CA ILE A 23 -6.277 1.983 5.966 1.00 0.00 C ATOM 336 C ILE A 23 -6.241 2.957 7.145 1.00 0.00 C ATOM 337 O ILE A 23 -6.397 4.163 6.963 1.00 0.00 O ATOM 338 CB ILE A 23 -7.613 1.254 5.811 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.712 0.576 4.443 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.787 2.201 6.068 1.00 0.00 C ATOM 341 CD1 ILE A 23 -7.671 1.609 3.315 1.00 0.00 C ATOM 0 H ILE A 23 -5.458 0.053 5.964 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.156 2.576 5.059 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.663 0.468 6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.891 -0.131 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.637 0.003 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.725 1.658 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.720 2.597 7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.753 3.024 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.743 1.101 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.507 2.300 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.734 2.163 3.363 1.00 0.00 H new ATOM 353 N SER A 24 -6.034 2.397 8.328 1.00 0.00 N ATOM 354 CA SER A 24 -6.008 3.197 9.540 1.00 0.00 C ATOM 355 C SER A 24 -4.902 4.250 9.450 1.00 0.00 C ATOM 356 O SER A 24 -5.085 5.387 9.883 1.00 0.00 O ATOM 357 CB SER A 24 -5.805 2.318 10.776 1.00 0.00 C ATOM 358 OG SER A 24 -7.037 1.804 11.274 1.00 0.00 O ATOM 0 H SER A 24 -5.883 1.399 8.473 1.00 0.00 H new ATOM 0 HA SER A 24 -6.971 3.699 9.638 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.141 1.490 10.527 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.312 2.898 11.556 1.00 0.00 H new ATOM 0 HG SER A 24 -6.865 1.247 12.062 1.00 0.00 H new ATOM 364 N ALA A 25 -3.778 3.834 8.884 1.00 0.00 N ATOM 365 CA ALA A 25 -2.644 4.729 8.727 1.00 0.00 C ATOM 366 C ALA A 25 -3.035 5.884 7.804 1.00 0.00 C ATOM 367 O ALA A 25 -3.083 7.036 8.232 1.00 0.00 O ATOM 368 CB ALA A 25 -1.442 3.942 8.200 1.00 0.00 C ATOM 0 H ALA A 25 -3.629 2.890 8.529 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.357 5.158 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.591 4.613 8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.186 3.152 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.691 3.499 7.236 1.00 0.00 H new ATOM 374 N MET A 26 -3.304 5.536 6.554 1.00 0.00 N ATOM 375 CA MET A 26 -3.671 6.532 5.562 1.00 0.00 C ATOM 376 C MET A 26 -4.750 7.472 6.103 1.00 0.00 C ATOM 377 O MET A 26 -4.719 8.674 5.842 1.00 0.00 O ATOM 378 CB MET A 26 -4.186 5.833 4.303 1.00 0.00 C ATOM 379 CG MET A 26 -3.052 5.107 3.576 1.00 0.00 C ATOM 380 SD MET A 26 -3.713 4.127 2.238 1.00 0.00 S ATOM 381 CE MET A 26 -4.514 5.406 1.284 1.00 0.00 C ATOM 0 H MET A 26 -3.275 4.578 6.206 1.00 0.00 H new ATOM 0 HA MET A 26 -2.787 7.123 5.323 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.966 5.120 4.572 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.640 6.566 3.636 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.336 5.831 3.188 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.512 4.467 4.274 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.764 5.020 0.296 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.426 5.721 1.791 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.842 6.258 1.182 1.00 0.00 H new ATOM 391 N GLU A 27 -5.680 6.889 6.846 1.00 0.00 N ATOM 392 CA GLU A 27 -6.772 7.658 7.417 1.00 0.00 C ATOM 393 C GLU A 27 -6.231 8.895 8.138 1.00 0.00 C ATOM 394 O GLU A 27 -6.736 10.000 7.946 1.00 0.00 O ATOM 395 CB GLU A 27 -7.613 6.797 8.362 1.00 0.00 C ATOM 396 CG GLU A 27 -8.832 6.220 7.639 1.00 0.00 C ATOM 397 CD GLU A 27 -9.791 5.553 8.627 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.507 6.308 9.320 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.786 4.304 8.667 1.00 0.00 O ATOM 0 H GLU A 27 -5.699 5.893 7.065 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.420 7.989 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.004 5.985 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.940 7.396 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.351 7.015 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.507 5.493 6.895 1.00 0.00 H new ATOM 406 N GLU A 28 -5.210 8.667 8.952 1.00 0.00 N ATOM 407 CA GLU A 28 -4.618 9.742 9.729 1.00 0.00 C ATOM 408 C GLU A 28 -3.720 10.606 8.841 1.00 0.00 C ATOM 409 O GLU A 28 -3.818 11.832 8.858 1.00 0.00 O ATOM 410 CB GLU A 28 -3.840 9.190 10.924 1.00 0.00 C ATOM 411 CG GLU A 28 -3.544 10.293 11.943 1.00 0.00 C ATOM 412 CD GLU A 28 -2.584 9.796 13.026 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.367 9.777 12.741 1.00 0.00 O ATOM 414 OE2 GLU A 28 -3.090 9.447 14.114 1.00 0.00 O ATOM 0 H GLU A 28 -4.778 7.753 9.090 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.421 10.368 10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.414 8.395 11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.905 8.747 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.111 11.155 11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.474 10.628 12.402 1.00 0.00 H new ATOM 421 N LYS A 29 -2.864 9.932 8.086 1.00 0.00 N ATOM 422 CA LYS A 29 -1.920 10.624 7.225 1.00 0.00 C ATOM 423 C LYS A 29 -2.677 11.617 6.340 1.00 0.00 C ATOM 424 O LYS A 29 -2.507 12.827 6.474 1.00 0.00 O ATOM 425 CB LYS A 29 -1.076 9.619 6.439 1.00 0.00 C ATOM 426 CG LYS A 29 -0.153 10.333 5.450 1.00 0.00 C ATOM 427 CD LYS A 29 1.031 10.979 6.173 1.00 0.00 C ATOM 428 CE LYS A 29 1.151 12.461 5.812 1.00 0.00 C ATOM 429 NZ LYS A 29 2.336 13.059 6.467 1.00 0.00 N ATOM 0 H LYS A 29 -2.805 8.914 8.053 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.213 11.202 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.482 9.020 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.729 8.932 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.213 9.621 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.714 11.096 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.906 10.872 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.952 10.460 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.231 12.573 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.250 12.991 6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.403 14.065 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.245 12.969 7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.194 12.564 6.151 1.00 0.00 H new ATOM 443 N PHE A 30 -3.496 11.067 5.456 1.00 0.00 N ATOM 444 CA PHE A 30 -4.252 11.887 4.524 1.00 0.00 C ATOM 445 C PHE A 30 -5.415 12.588 5.230 1.00 0.00 C ATOM 446 O PHE A 30 -6.124 13.387 4.621 1.00 0.00 O ATOM 447 CB PHE A 30 -4.812 10.948 3.454 1.00 0.00 C ATOM 448 CG PHE A 30 -3.751 10.372 2.514 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.388 11.058 1.397 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.171 9.175 2.796 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.403 10.524 0.525 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.186 8.640 1.924 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.823 9.326 0.807 1.00 0.00 C ATOM 0 H PHE A 30 -3.653 10.063 5.365 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.607 12.654 4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.334 10.126 3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.552 11.488 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.849 12.009 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.459 8.631 3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.114 11.069 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.725 7.689 2.148 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.074 8.920 0.144 1.00 0.00 H new ATOM 463 N GLY A 31 -5.574 12.263 6.505 1.00 0.00 N ATOM 464 CA GLY A 31 -6.648 12.839 7.295 1.00 0.00 C ATOM 465 C GLY A 31 -7.972 12.806 6.527 1.00 0.00 C ATOM 466 O GLY A 31 -8.640 13.830 6.391 1.00 0.00 O ATOM 0 H GLY A 31 -4.977 11.608 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.752 12.289 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.401 13.868 7.556 1.00 0.00 H new ATOM 470 N VAL A 32 -8.310 11.619 6.046 1.00 0.00 N ATOM 471 CA VAL A 32 -9.548 11.437 5.307 1.00 0.00 C ATOM 472 C VAL A 32 -10.524 10.613 6.151 1.00 0.00 C ATOM 473 O VAL A 32 -10.982 9.556 5.721 1.00 0.00 O ATOM 474 CB VAL A 32 -9.256 10.806 3.944 1.00 0.00 C ATOM 475 CG1 VAL A 32 -8.845 9.339 4.096 1.00 0.00 C ATOM 476 CG2 VAL A 32 -10.457 10.944 3.007 1.00 0.00 C ATOM 0 H VAL A 32 -7.749 10.774 6.153 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.020 12.399 5.110 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.420 11.344 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.643 8.914 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.947 9.275 4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.652 8.783 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.223 10.487 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.320 10.443 3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.685 12.000 2.861 1.00 0.00 H new ATOM 486 N SER A 33 -10.812 11.129 7.337 1.00 0.00 N ATOM 487 CA SER A 33 -11.717 10.450 8.248 1.00 0.00 C ATOM 488 C SER A 33 -12.641 11.466 8.922 1.00 0.00 C ATOM 489 O SER A 33 -12.397 11.876 10.055 1.00 0.00 O ATOM 490 CB SER A 33 -10.944 9.655 9.302 1.00 0.00 C ATOM 491 OG SER A 33 -11.787 8.756 10.017 1.00 0.00 O ATOM 0 H SER A 33 -10.434 12.009 7.688 1.00 0.00 H new ATOM 0 HA SER A 33 -12.319 9.748 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.144 9.095 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.472 10.344 10.002 1.00 0.00 H new ATOM 0 HG SER A 33 -11.467 7.838 9.892 1.00 0.00 H new ATOM 497 N ALA A 34 -13.683 11.843 8.196 1.00 0.00 N ATOM 498 CA ALA A 34 -14.633 12.820 8.701 1.00 0.00 C ATOM 499 C ALA A 34 -15.935 12.719 7.902 1.00 0.00 C ATOM 500 O ALA A 34 -16.105 13.408 6.897 1.00 0.00 O ATOM 501 CB ALA A 34 -14.014 14.217 8.632 1.00 0.00 C ATOM 0 H ALA A 34 -13.890 11.490 7.262 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.871 12.620 9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.727 14.950 9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.109 14.244 9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.765 14.454 7.598 1.00 0.00 H new ATOM 507 N ALA A 35 -16.819 11.856 8.380 1.00 0.00 N ATOM 508 CA ALA A 35 -18.083 11.626 7.700 1.00 0.00 C ATOM 509 C ALA A 35 -17.836 11.525 6.194 1.00 0.00 C ATOM 510 O ALA A 35 -18.184 12.434 5.442 1.00 0.00 O ATOM 511 CB ALA A 35 -19.064 12.745 8.056 1.00 0.00 C ATOM 0 H ALA A 35 -16.685 11.308 9.230 1.00 0.00 H new ATOM 0 HA ALA A 35 -18.528 10.686 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -20.012 12.573 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -19.228 12.756 9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -18.652 13.704 7.742 1.00 0.00 H new ATOM 517 N ALA A 36 -17.237 10.412 5.798 1.00 0.00 N ATOM 518 CA ALA A 36 -16.954 10.172 4.393 1.00 0.00 C ATOM 519 C ALA A 36 -18.165 10.590 3.556 1.00 0.00 C ATOM 520 O ALA A 36 -19.295 10.575 4.041 1.00 0.00 O ATOM 521 CB ALA A 36 -16.584 8.701 4.190 1.00 0.00 C ATOM 0 H ALA A 36 -16.939 9.665 6.426 1.00 0.00 H new ATOM 0 HA ALA A 36 -16.104 10.770 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.372 8.521 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.701 8.463 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.415 8.070 4.506 1.00 0.00 H new ATOM 527 N ALA A 37 -17.887 10.953 2.312 1.00 0.00 N ATOM 528 CA ALA A 37 -18.940 11.369 1.401 1.00 0.00 C ATOM 529 C ALA A 37 -18.684 10.760 0.021 1.00 0.00 C ATOM 530 O ALA A 37 -19.507 10.003 -0.489 1.00 0.00 O ATOM 531 CB ALA A 37 -19.006 12.897 1.361 1.00 0.00 C ATOM 0 H ALA A 37 -16.948 10.968 1.914 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.910 11.010 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -19.796 13.209 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -19.219 13.278 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.051 13.294 1.017 1.00 0.00 H new TER 537 ALA A 37 ATOM 538 N SER B 1 11.160 -4.523 0.938 1.00 0.00 N ATOM 539 CA SER B 1 10.604 -3.458 1.755 1.00 0.00 C ATOM 540 C SER B 1 9.137 -3.227 1.386 1.00 0.00 C ATOM 541 O SER B 1 8.801 -2.218 0.766 1.00 0.00 O ATOM 542 CB SER B 1 11.403 -2.163 1.592 1.00 0.00 C ATOM 543 OG SER B 1 12.773 -2.334 1.945 1.00 0.00 O ATOM 0 H1 SER B 1 12.156 -4.673 1.195 1.00 0.00 H new ATOM 0 H2 SER B 1 10.625 -5.400 1.099 1.00 0.00 H new ATOM 0 H3 SER B 1 11.097 -4.259 -0.066 1.00 0.00 H new ATOM 0 HA SER B 1 10.666 -3.761 2.800 1.00 0.00 H new ATOM 0 HB2 SER B 1 11.334 -1.822 0.559 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.963 -1.384 2.215 1.00 0.00 H new ATOM 0 HG SER B 1 13.250 -1.486 1.826 1.00 0.00 H new ATOM 549 N ILE B 2 8.304 -4.177 1.782 1.00 0.00 N ATOM 550 CA ILE B 2 6.878 -4.078 1.520 1.00 0.00 C ATOM 551 C ILE B 2 6.153 -3.690 2.809 1.00 0.00 C ATOM 552 O ILE B 2 5.282 -4.420 3.281 1.00 0.00 O ATOM 553 CB ILE B 2 6.358 -5.371 0.888 1.00 0.00 C ATOM 554 CG1 ILE B 2 7.344 -5.907 -0.153 1.00 0.00 C ATOM 555 CG2 ILE B 2 4.959 -5.172 0.303 1.00 0.00 C ATOM 556 CD1 ILE B 2 6.847 -7.226 -0.750 1.00 0.00 C ATOM 0 H ILE B 2 8.589 -5.019 2.282 1.00 0.00 H new ATOM 0 HA ILE B 2 6.679 -3.292 0.792 1.00 0.00 H new ATOM 0 HB ILE B 2 6.275 -6.124 1.671 1.00 0.00 H new ATOM 0 HG12 ILE B 2 7.476 -5.171 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE B 2 8.320 -6.057 0.309 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.613 -6.106 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.273 -4.870 1.095 1.00 0.00 H new ATOM 0 HG23 ILE B 2 4.992 -4.398 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE B 2 7.565 -7.586 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE B 2 6.739 -7.966 0.043 1.00 0.00 H new ATOM 0 HD13 ILE B 2 5.882 -7.067 -1.232 1.00 0.00 H new ATOM 568 N THR B 3 6.538 -2.540 3.344 1.00 0.00 N ATOM 569 CA THR B 3 5.950 -2.056 4.581 1.00 0.00 C ATOM 570 C THR B 3 4.631 -1.334 4.298 1.00 0.00 C ATOM 571 O THR B 3 4.388 -0.894 3.175 1.00 0.00 O ATOM 572 CB THR B 3 6.985 -1.175 5.284 1.00 0.00 C ATOM 573 OG1 THR B 3 7.389 -0.247 4.281 1.00 0.00 O ATOM 574 CG2 THR B 3 8.267 -1.937 5.625 1.00 0.00 C ATOM 0 H THR B 3 7.250 -1.930 2.943 1.00 0.00 H new ATOM 0 HA THR B 3 5.697 -2.881 5.247 1.00 0.00 H new ATOM 0 HB THR B 3 6.553 -0.765 6.197 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.059 0.365 4.652 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.968 -1.266 6.122 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.030 -2.770 6.287 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.718 -2.319 4.709 1.00 0.00 H new ATOM 582 N LYS B 4 3.813 -1.236 5.336 1.00 0.00 N ATOM 583 CA LYS B 4 2.531 -0.561 5.217 1.00 0.00 C ATOM 584 C LYS B 4 2.765 0.910 4.868 1.00 0.00 C ATOM 585 O LYS B 4 2.073 1.467 4.017 1.00 0.00 O ATOM 586 CB LYS B 4 1.697 -0.768 6.483 1.00 0.00 C ATOM 587 CG LYS B 4 0.841 -2.031 6.376 1.00 0.00 C ATOM 588 CD LYS B 4 0.234 -2.399 7.731 1.00 0.00 C ATOM 589 CE LYS B 4 1.279 -3.047 8.642 1.00 0.00 C ATOM 590 NZ LYS B 4 1.405 -2.289 9.906 1.00 0.00 N ATOM 0 H LYS B 4 4.013 -1.612 6.263 1.00 0.00 H new ATOM 0 HA LYS B 4 1.947 -0.993 4.404 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.356 -0.843 7.348 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.055 0.098 6.645 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.045 -1.875 5.648 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.450 -2.857 6.010 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -0.166 -1.505 8.209 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.601 -3.084 7.585 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.995 -4.077 8.856 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.243 -3.081 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.118 -2.742 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.697 -1.313 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.488 -2.279 10.397 1.00 0.00 H new ATOM 604 N ASP B 5 3.741 1.498 5.543 1.00 0.00 N ATOM 605 CA ASP B 5 4.056 2.901 5.336 1.00 0.00 C ATOM 606 C ASP B 5 4.404 3.128 3.863 1.00 0.00 C ATOM 607 O ASP B 5 3.998 4.128 3.273 1.00 0.00 O ATOM 608 CB ASP B 5 5.262 3.325 6.177 1.00 0.00 C ATOM 609 CG ASP B 5 4.948 3.650 7.639 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.352 4.725 7.866 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.311 2.815 8.496 1.00 0.00 O ATOM 0 H ASP B 5 4.325 1.028 6.235 1.00 0.00 H new ATOM 0 HA ASP B 5 3.187 3.489 5.630 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.004 2.527 6.149 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.718 4.201 5.715 1.00 0.00 H new ATOM 616 N GLN B 6 5.152 2.184 3.312 1.00 0.00 N ATOM 617 CA GLN B 6 5.579 2.281 1.926 1.00 0.00 C ATOM 618 C GLN B 6 4.366 2.436 1.007 1.00 0.00 C ATOM 619 O GLN B 6 4.473 3.011 -0.076 1.00 0.00 O ATOM 620 CB GLN B 6 6.419 1.067 1.525 1.00 0.00 C ATOM 621 CG GLN B 6 7.906 1.320 1.783 1.00 0.00 C ATOM 622 CD GLN B 6 8.525 2.146 0.653 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.657 3.356 0.735 1.00 0.00 O ATOM 624 NE2 GLN B 6 8.896 1.427 -0.403 1.00 0.00 N ATOM 0 H GLN B 6 5.474 1.348 3.800 1.00 0.00 H new ATOM 0 HA GLN B 6 6.206 3.166 1.820 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.092 0.192 2.087 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.262 0.844 0.470 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.031 1.843 2.731 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.430 0.369 1.872 1.00 0.00 H new ATOM 0 HE21 GLN B 6 8.757 0.417 -0.406 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.320 1.886 -1.209 1.00 0.00 H new ATOM 633 N ILE B 7 3.241 1.914 1.471 1.00 0.00 N ATOM 634 CA ILE B 7 2.013 1.972 0.696 1.00 0.00 C ATOM 635 C ILE B 7 1.381 3.357 0.853 1.00 0.00 C ATOM 636 O ILE B 7 0.754 3.866 -0.075 1.00 0.00 O ATOM 637 CB ILE B 7 1.081 0.823 1.082 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.788 -0.527 0.946 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.217 0.874 0.273 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.345 -0.714 -0.467 1.00 0.00 C ATOM 0 H ILE B 7 3.153 1.449 2.374 1.00 0.00 H new ATOM 0 HA ILE B 7 2.225 1.836 -0.365 1.00 0.00 H new ATOM 0 HB ILE B 7 0.811 0.941 2.132 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.599 -0.592 1.672 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.090 -1.332 1.175 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.862 0.046 0.567 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.728 1.818 0.464 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.013 0.795 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.843 -1.681 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.529 -0.673 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE B 7 3.061 0.079 -0.684 1.00 0.00 H new ATOM 652 N ILE B 8 1.566 3.926 2.035 1.00 0.00 N ATOM 653 CA ILE B 8 1.031 5.246 2.323 1.00 0.00 C ATOM 654 C ILE B 8 1.621 6.256 1.337 1.00 0.00 C ATOM 655 O ILE B 8 0.892 7.055 0.750 1.00 0.00 O ATOM 656 CB ILE B 8 1.264 5.611 3.790 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.625 4.578 4.720 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.775 7.030 4.086 1.00 0.00 C ATOM 659 CD1 ILE B 8 0.809 4.972 6.187 1.00 0.00 C ATOM 0 H ILE B 8 2.079 3.497 2.805 1.00 0.00 H new ATOM 0 HA ILE B 8 -0.050 5.257 2.184 1.00 0.00 H new ATOM 0 HB ILE B 8 2.337 5.594 3.980 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.438 4.489 4.494 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.072 3.599 4.544 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.952 7.264 5.136 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.316 7.739 3.459 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.292 7.099 3.874 1.00 0.00 H new ATOM 0 HD11 ILE B 8 0.345 4.221 6.826 1.00 0.00 H new ATOM 0 HD12 ILE B 8 1.873 5.037 6.416 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.340 5.940 6.365 1.00 0.00 H new ATOM 671 N GLU B 9 2.936 6.188 1.184 1.00 0.00 N ATOM 672 CA GLU B 9 3.637 7.115 0.312 1.00 0.00 C ATOM 673 C GLU B 9 3.335 6.796 -1.153 1.00 0.00 C ATOM 674 O GLU B 9 3.597 7.612 -2.036 1.00 0.00 O ATOM 675 CB GLU B 9 5.143 7.087 0.580 1.00 0.00 C ATOM 676 CG GLU B 9 5.449 7.464 2.031 1.00 0.00 C ATOM 677 CD GLU B 9 6.832 8.107 2.150 1.00 0.00 C ATOM 678 OE1 GLU B 9 7.814 7.406 1.821 1.00 0.00 O ATOM 679 OE2 GLU B 9 6.877 9.284 2.569 1.00 0.00 O ATOM 0 H GLU B 9 3.534 5.505 1.649 1.00 0.00 H new ATOM 0 HA GLU B 9 3.282 8.123 0.525 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.535 6.092 0.369 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.649 7.779 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU B 9 4.690 8.154 2.399 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.402 6.575 2.659 1.00 0.00 H new ATOM 686 N ALA B 10 2.787 5.609 -1.367 1.00 0.00 N ATOM 687 CA ALA B 10 2.461 5.166 -2.712 1.00 0.00 C ATOM 688 C ALA B 10 1.184 5.866 -3.180 1.00 0.00 C ATOM 689 O ALA B 10 1.032 6.162 -4.364 1.00 0.00 O ATOM 690 CB ALA B 10 2.331 3.642 -2.730 1.00 0.00 C ATOM 0 H ALA B 10 2.560 4.940 -0.631 1.00 0.00 H new ATOM 0 HA ALA B 10 3.257 5.433 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.086 3.310 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.274 3.193 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.540 3.336 -2.045 1.00 0.00 H new ATOM 696 N VAL B 11 0.298 6.111 -2.226 1.00 0.00 N ATOM 697 CA VAL B 11 -0.969 6.754 -2.528 1.00 0.00 C ATOM 698 C VAL B 11 -0.762 8.267 -2.612 1.00 0.00 C ATOM 699 O VAL B 11 -1.537 8.969 -3.260 1.00 0.00 O ATOM 700 CB VAL B 11 -2.021 6.351 -1.492 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.253 7.254 -1.582 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.407 4.879 -1.647 1.00 0.00 C ATOM 0 H VAL B 11 0.433 5.876 -1.243 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.343 6.423 -3.497 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.583 6.480 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.985 6.946 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.960 8.288 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.692 7.172 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.156 4.618 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.817 4.713 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.524 4.255 -1.509 1.00 0.00 H new ATOM 712 N ALA B 12 0.289 8.726 -1.948 1.00 0.00 N ATOM 713 CA ALA B 12 0.609 10.144 -1.941 1.00 0.00 C ATOM 714 C ALA B 12 1.486 10.470 -3.152 1.00 0.00 C ATOM 715 O ALA B 12 1.971 11.592 -3.287 1.00 0.00 O ATOM 716 CB ALA B 12 1.284 10.508 -0.617 1.00 0.00 C ATOM 0 H ALA B 12 0.930 8.141 -1.411 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.298 10.743 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.524 11.571 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.609 10.284 0.209 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.200 9.928 -0.504 1.00 0.00 H new ATOM 722 N ALA B 13 1.662 9.469 -4.002 1.00 0.00 N ATOM 723 CA ALA B 13 2.483 9.631 -5.189 1.00 0.00 C ATOM 724 C ALA B 13 1.582 9.914 -6.393 1.00 0.00 C ATOM 725 O ALA B 13 1.996 10.581 -7.340 1.00 0.00 O ATOM 726 CB ALA B 13 3.346 8.383 -5.387 1.00 0.00 C ATOM 0 H ALA B 13 1.250 8.543 -3.892 1.00 0.00 H new ATOM 0 HA ALA B 13 3.158 10.480 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA B 13 3.962 8.504 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA B 13 3.988 8.243 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.703 7.511 -5.507 1.00 0.00 H new ATOM 732 N MET B 14 0.367 9.392 -6.317 1.00 0.00 N ATOM 733 CA MET B 14 -0.581 9.540 -7.409 1.00 0.00 C ATOM 734 C MET B 14 -1.551 10.692 -7.141 1.00 0.00 C ATOM 735 O MET B 14 -1.603 11.219 -6.030 1.00 0.00 O ATOM 736 CB MET B 14 -1.368 8.240 -7.582 1.00 0.00 C ATOM 737 CG MET B 14 -0.426 7.051 -7.784 1.00 0.00 C ATOM 738 SD MET B 14 -1.346 5.523 -7.712 1.00 0.00 S ATOM 739 CE MET B 14 0.000 4.354 -7.639 1.00 0.00 C ATOM 0 H MET B 14 0.017 8.866 -5.516 1.00 0.00 H new ATOM 0 HA MET B 14 -0.025 9.762 -8.320 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.992 8.069 -6.705 1.00 0.00 H new ATOM 0 HB3 MET B 14 -2.038 8.327 -8.438 1.00 0.00 H new ATOM 0 HG2 MET B 14 0.079 7.136 -8.746 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.348 7.055 -7.017 1.00 0.00 H new ATOM 0 HE1 MET B 14 -0.286 3.437 -8.154 1.00 0.00 H new ATOM 0 HE2 MET B 14 0.880 4.781 -8.121 1.00 0.00 H new ATOM 0 HE3 MET B 14 0.230 4.129 -6.598 1.00 0.00 H new ATOM 749 N SER B 15 -2.294 11.051 -8.177 1.00 0.00 N ATOM 750 CA SER B 15 -3.265 12.127 -8.065 1.00 0.00 C ATOM 751 C SER B 15 -4.500 11.640 -7.304 1.00 0.00 C ATOM 752 O SER B 15 -4.743 10.438 -7.213 1.00 0.00 O ATOM 753 CB SER B 15 -3.665 12.653 -9.445 1.00 0.00 C ATOM 754 OG SER B 15 -3.482 11.674 -10.464 1.00 0.00 O ATOM 0 H SER B 15 -2.244 10.616 -9.098 1.00 0.00 H new ATOM 0 HA SER B 15 -2.806 12.947 -7.513 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.709 12.965 -9.425 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.073 13.537 -9.681 1.00 0.00 H new ATOM 0 HG SER B 15 -3.750 12.048 -11.329 1.00 0.00 H new ATOM 760 N VAL B 16 -5.247 12.599 -6.778 1.00 0.00 N ATOM 761 CA VAL B 16 -6.443 12.283 -6.015 1.00 0.00 C ATOM 762 C VAL B 16 -7.388 11.448 -6.881 1.00 0.00 C ATOM 763 O VAL B 16 -7.919 10.434 -6.428 1.00 0.00 O ATOM 764 CB VAL B 16 -7.088 13.569 -5.496 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.467 13.287 -4.895 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.180 14.267 -4.481 1.00 0.00 C ATOM 0 H VAL B 16 -5.047 13.596 -6.865 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.191 11.686 -5.139 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.223 14.242 -6.343 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.904 14.218 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.115 12.854 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.366 12.587 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.662 15.178 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.999 13.602 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.231 14.519 -4.954 1.00 0.00 H new ATOM 776 N MET B 17 -7.570 11.904 -8.112 1.00 0.00 N ATOM 777 CA MET B 17 -8.447 11.215 -9.043 1.00 0.00 C ATOM 778 C MET B 17 -8.005 9.764 -9.243 1.00 0.00 C ATOM 779 O MET B 17 -8.826 8.849 -9.200 1.00 0.00 O ATOM 780 CB MET B 17 -8.435 11.942 -10.389 1.00 0.00 C ATOM 781 CG MET B 17 -9.534 13.005 -10.448 1.00 0.00 C ATOM 782 SD MET B 17 -11.131 12.225 -10.613 1.00 0.00 S ATOM 783 CE MET B 17 -11.943 13.404 -11.679 1.00 0.00 C ATOM 0 H MET B 17 -7.125 12.742 -8.486 1.00 0.00 H new ATOM 0 HA MET B 17 -9.455 11.214 -8.629 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.463 12.410 -10.545 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.576 11.223 -11.196 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.510 13.615 -9.545 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.359 13.675 -11.290 1.00 0.00 H new ATOM 0 HE1 MET B 17 -12.960 13.069 -11.885 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.974 14.377 -11.189 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.392 13.487 -12.616 1.00 0.00 H new ATOM 793 N ASP B 18 -6.707 9.599 -9.456 1.00 0.00 N ATOM 794 CA ASP B 18 -6.153 8.280 -9.712 1.00 0.00 C ATOM 795 C ASP B 18 -6.314 7.412 -8.463 1.00 0.00 C ATOM 796 O ASP B 18 -6.402 6.189 -8.559 1.00 0.00 O ATOM 797 CB ASP B 18 -4.661 8.364 -10.040 1.00 0.00 C ATOM 798 CG ASP B 18 -4.062 7.099 -10.658 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.841 6.352 -11.288 1.00 0.00 O ATOM 800 OD2 ASP B 18 -2.839 6.908 -10.486 1.00 0.00 O ATOM 0 H ASP B 18 -6.024 10.356 -9.456 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.686 7.850 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.502 9.196 -10.726 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.116 8.596 -9.125 1.00 0.00 H new ATOM 805 N VAL B 19 -6.348 8.079 -7.318 1.00 0.00 N ATOM 806 CA VAL B 19 -6.467 7.381 -6.049 1.00 0.00 C ATOM 807 C VAL B 19 -7.923 6.960 -5.838 1.00 0.00 C ATOM 808 O VAL B 19 -8.192 5.941 -5.204 1.00 0.00 O ATOM 809 CB VAL B 19 -5.929 8.259 -4.917 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.411 7.755 -3.556 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.401 8.337 -4.963 1.00 0.00 C ATOM 0 H VAL B 19 -6.295 9.095 -7.243 1.00 0.00 H new ATOM 0 HA VAL B 19 -5.863 6.473 -6.054 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.321 9.266 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.014 8.397 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.500 7.775 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.062 6.734 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.044 8.967 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.982 7.336 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.087 8.764 -5.916 1.00 0.00 H new ATOM 821 N VAL B 20 -8.823 7.766 -6.381 1.00 0.00 N ATOM 822 CA VAL B 20 -10.245 7.490 -6.261 1.00 0.00 C ATOM 823 C VAL B 20 -10.566 6.176 -6.976 1.00 0.00 C ATOM 824 O VAL B 20 -11.254 5.317 -6.426 1.00 0.00 O ATOM 825 CB VAL B 20 -11.055 8.674 -6.792 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.475 8.243 -7.164 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.077 9.821 -5.780 1.00 0.00 C ATOM 0 H VAL B 20 -8.595 8.611 -6.905 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.524 7.367 -5.214 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.567 9.036 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.030 9.103 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.432 7.475 -7.936 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.977 7.844 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.659 10.650 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.530 9.477 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.058 10.154 -5.586 1.00 0.00 H new ATOM 837 N GLU B 21 -10.054 6.061 -8.193 1.00 0.00 N ATOM 838 CA GLU B 21 -10.271 4.863 -8.986 1.00 0.00 C ATOM 839 C GLU B 21 -9.761 3.630 -8.237 1.00 0.00 C ATOM 840 O GLU B 21 -10.463 2.625 -8.138 1.00 0.00 O ATOM 841 CB GLU B 21 -9.605 4.986 -10.358 1.00 0.00 C ATOM 842 CG GLU B 21 -10.408 5.909 -11.277 1.00 0.00 C ATOM 843 CD GLU B 21 -11.491 5.130 -12.026 1.00 0.00 C ATOM 844 OE1 GLU B 21 -12.369 4.570 -11.335 1.00 0.00 O ATOM 845 OE2 GLU B 21 -11.416 5.113 -13.274 1.00 0.00 O ATOM 0 H GLU B 21 -9.490 6.778 -8.649 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.343 4.747 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.593 5.374 -10.241 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.518 4.000 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.867 6.704 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.739 6.388 -11.992 1.00 0.00 H new ATOM 852 N LEU B 22 -8.543 3.748 -7.729 1.00 0.00 N ATOM 853 CA LEU B 22 -7.941 2.665 -6.970 1.00 0.00 C ATOM 854 C LEU B 22 -8.872 2.275 -5.820 1.00 0.00 C ATOM 855 O LEU B 22 -9.392 1.161 -5.788 1.00 0.00 O ATOM 856 CB LEU B 22 -6.531 3.049 -6.516 1.00 0.00 C ATOM 857 CG LEU B 22 -5.743 1.961 -5.783 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.196 0.923 -6.766 1.00 0.00 C ATOM 859 CD2 LEU B 22 -4.638 2.572 -4.920 1.00 0.00 C ATOM 0 H LEU B 22 -7.957 4.577 -7.828 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.820 1.781 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -5.960 3.356 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.605 3.919 -5.863 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.425 1.439 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.640 0.161 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -6.024 0.455 -7.299 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.534 1.412 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.093 1.777 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -3.951 3.134 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.081 3.240 -4.181 1.00 0.00 H new ATOM 871 N ILE B 23 -9.054 3.215 -4.903 1.00 0.00 N ATOM 872 CA ILE B 23 -9.852 2.958 -3.716 1.00 0.00 C ATOM 873 C ILE B 23 -11.220 2.415 -4.135 1.00 0.00 C ATOM 874 O ILE B 23 -11.789 1.566 -3.452 1.00 0.00 O ATOM 875 CB ILE B 23 -9.928 4.211 -2.841 1.00 0.00 C ATOM 876 CG1 ILE B 23 -8.558 4.552 -2.251 1.00 0.00 C ATOM 877 CG2 ILE B 23 -10.997 4.057 -1.757 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.061 3.432 -1.335 1.00 0.00 C ATOM 0 H ILE B 23 -8.662 4.155 -4.958 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.382 2.194 -3.097 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.225 5.050 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -7.841 4.713 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.622 5.484 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.031 4.961 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -11.969 3.897 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -10.754 3.203 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -7.086 3.700 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -8.768 3.290 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.975 2.507 -1.905 1.00 0.00 H new ATOM 890 N SER B 24 -11.707 2.929 -5.255 1.00 0.00 N ATOM 891 CA SER B 24 -13.027 2.557 -5.736 1.00 0.00 C ATOM 892 C SER B 24 -13.055 1.068 -6.088 1.00 0.00 C ATOM 893 O SER B 24 -14.033 0.378 -5.805 1.00 0.00 O ATOM 894 CB SER B 24 -13.427 3.397 -6.951 1.00 0.00 C ATOM 895 OG SER B 24 -13.988 4.650 -6.571 1.00 0.00 O ATOM 0 H SER B 24 -11.212 3.599 -5.843 1.00 0.00 H new ATOM 0 HA SER B 24 -13.748 2.750 -4.941 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.552 3.567 -7.579 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.148 2.844 -7.553 1.00 0.00 H new ATOM 0 HG SER B 24 -13.268 5.295 -6.409 1.00 0.00 H new ATOM 901 N ALA B 25 -11.970 0.617 -6.700 1.00 0.00 N ATOM 902 CA ALA B 25 -11.852 -0.780 -7.083 1.00 0.00 C ATOM 903 C ALA B 25 -11.987 -1.659 -5.838 1.00 0.00 C ATOM 904 O ALA B 25 -12.853 -2.530 -5.779 1.00 0.00 O ATOM 905 CB ALA B 25 -10.525 -1.000 -7.812 1.00 0.00 C ATOM 0 H ALA B 25 -11.164 1.194 -6.940 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.651 -1.058 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.437 -2.048 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.492 -0.375 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.699 -0.734 -7.152 1.00 0.00 H new ATOM 911 N MET B 26 -11.116 -1.400 -4.873 1.00 0.00 N ATOM 912 CA MET B 26 -11.131 -2.151 -3.630 1.00 0.00 C ATOM 913 C MET B 26 -12.523 -2.133 -2.995 1.00 0.00 C ATOM 914 O MET B 26 -13.023 -3.169 -2.558 1.00 0.00 O ATOM 915 CB MET B 26 -10.118 -1.546 -2.655 1.00 0.00 C ATOM 916 CG MET B 26 -8.685 -1.841 -3.101 1.00 0.00 C ATOM 917 SD MET B 26 -7.527 -1.159 -1.927 1.00 0.00 S ATOM 918 CE MET B 26 -6.097 -0.966 -2.977 1.00 0.00 C ATOM 0 H MET B 26 -10.395 -0.680 -4.928 1.00 0.00 H new ATOM 0 HA MET B 26 -10.865 -3.185 -3.849 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.268 -0.468 -2.591 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.283 -1.951 -1.656 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.537 -2.917 -3.187 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.508 -1.415 -4.088 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.303 -0.466 -2.422 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.750 -1.946 -3.303 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.363 -0.367 -3.848 1.00 0.00 H new ATOM 928 N GLU B 27 -13.110 -0.946 -2.965 1.00 0.00 N ATOM 929 CA GLU B 27 -14.427 -0.776 -2.374 1.00 0.00 C ATOM 930 C GLU B 27 -15.386 -1.846 -2.900 1.00 0.00 C ATOM 931 O GLU B 27 -16.129 -2.451 -2.129 1.00 0.00 O ATOM 932 CB GLU B 27 -14.971 0.628 -2.642 1.00 0.00 C ATOM 933 CG GLU B 27 -14.558 1.597 -1.532 1.00 0.00 C ATOM 934 CD GLU B 27 -15.218 2.964 -1.725 1.00 0.00 C ATOM 935 OE1 GLU B 27 -16.456 3.025 -1.562 1.00 0.00 O ATOM 936 OE2 GLU B 27 -14.469 3.918 -2.030 1.00 0.00 O ATOM 0 H GLU B 27 -12.698 -0.092 -3.341 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.338 -0.895 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.600 0.989 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.058 0.593 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.840 1.187 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.474 1.710 -1.527 1.00 0.00 H new ATOM 943 N GLU B 28 -15.339 -2.046 -4.209 1.00 0.00 N ATOM 944 CA GLU B 28 -16.240 -2.984 -4.856 1.00 0.00 C ATOM 945 C GLU B 28 -15.752 -4.419 -4.646 1.00 0.00 C ATOM 946 O GLU B 28 -16.519 -5.285 -4.228 1.00 0.00 O ATOM 947 CB GLU B 28 -16.386 -2.667 -6.345 1.00 0.00 C ATOM 948 CG GLU B 28 -17.639 -3.325 -6.926 1.00 0.00 C ATOM 949 CD GLU B 28 -17.629 -3.270 -8.455 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.903 -4.097 -9.047 1.00 0.00 O ATOM 951 OE2 GLU B 28 -18.348 -2.403 -8.996 1.00 0.00 O ATOM 0 H GLU B 28 -14.691 -1.574 -4.839 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.225 -2.885 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.439 -1.588 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.505 -3.017 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.695 -4.362 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.528 -2.821 -6.546 1.00 0.00 H new ATOM 958 N LYS B 29 -14.478 -4.627 -4.947 1.00 0.00 N ATOM 959 CA LYS B 29 -13.892 -5.952 -4.848 1.00 0.00 C ATOM 960 C LYS B 29 -14.158 -6.520 -3.452 1.00 0.00 C ATOM 961 O LYS B 29 -14.900 -7.489 -3.303 1.00 0.00 O ATOM 962 CB LYS B 29 -12.410 -5.913 -5.224 1.00 0.00 C ATOM 963 CG LYS B 29 -11.742 -7.265 -4.964 1.00 0.00 C ATOM 964 CD LYS B 29 -10.542 -7.470 -5.892 1.00 0.00 C ATOM 965 CE LYS B 29 -9.779 -8.745 -5.526 1.00 0.00 C ATOM 966 NZ LYS B 29 -8.592 -8.906 -6.396 1.00 0.00 N ATOM 0 H LYS B 29 -13.836 -3.899 -5.260 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.360 -6.629 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.305 -5.648 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.905 -5.137 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.417 -7.320 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.465 -8.067 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.883 -7.530 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.875 -6.611 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.469 -8.703 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.434 -9.610 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.085 -9.776 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.895 -8.967 -7.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -7.960 -8.088 -6.276 1.00 0.00 H new ATOM 980 N PHE B 30 -13.536 -5.892 -2.465 1.00 0.00 N ATOM 981 CA PHE B 30 -13.652 -6.355 -1.093 1.00 0.00 C ATOM 982 C PHE B 30 -15.014 -5.986 -0.502 1.00 0.00 C ATOM 983 O PHE B 30 -15.318 -6.342 0.635 1.00 0.00 O ATOM 984 CB PHE B 30 -12.554 -5.655 -0.290 1.00 0.00 C ATOM 985 CG PHE B 30 -11.134 -6.047 -0.703 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.592 -7.210 -0.252 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.414 -5.233 -1.521 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.274 -7.574 -0.635 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.096 -5.597 -1.904 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.554 -6.760 -1.453 1.00 0.00 C ATOM 0 H PHE B 30 -12.950 -5.066 -2.588 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.553 -7.440 -1.058 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.669 -4.577 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.690 -5.883 0.767 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.164 -7.856 0.397 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.845 -4.310 -1.879 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.843 -8.497 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.524 -4.951 -2.553 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.552 -7.037 -1.744 1.00 0.00 H new ATOM 1000 N GLY B 31 -15.797 -5.277 -1.301 1.00 0.00 N ATOM 1001 CA GLY B 31 -17.119 -4.853 -0.871 1.00 0.00 C ATOM 1002 C GLY B 31 -17.058 -4.173 0.498 1.00 0.00 C ATOM 1003 O GLY B 31 -17.716 -4.610 1.442 1.00 0.00 O ATOM 0 H GLY B 31 -15.542 -4.985 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -17.541 -4.165 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -17.784 -5.715 -0.823 1.00 0.00 H new ATOM 1007 N VAL B 32 -16.261 -3.117 0.564 1.00 0.00 N ATOM 1008 CA VAL B 32 -16.142 -2.345 1.789 1.00 0.00 C ATOM 1009 C VAL B 32 -16.362 -0.863 1.477 1.00 0.00 C ATOM 1010 O VAL B 32 -15.433 -0.062 1.564 1.00 0.00 O ATOM 1011 CB VAL B 32 -14.791 -2.621 2.452 1.00 0.00 C ATOM 1012 CG1 VAL B 32 -14.694 -1.923 3.810 1.00 0.00 C ATOM 1013 CG2 VAL B 32 -14.546 -4.125 2.590 1.00 0.00 C ATOM 0 H VAL B 32 -15.691 -2.778 -0.211 1.00 0.00 H new ATOM 0 HA VAL B 32 -16.908 -2.644 2.504 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.012 -2.212 1.809 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.724 -2.135 4.260 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -14.803 -0.847 3.675 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -15.485 -2.289 4.464 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -13.579 -4.294 3.064 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -15.332 -4.567 3.202 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -14.552 -4.587 1.603 1.00 0.00 H new ATOM 1023 N SER B 33 -17.598 -0.544 1.121 1.00 0.00 N ATOM 1024 CA SER B 33 -17.951 0.826 0.789 1.00 0.00 C ATOM 1025 C SER B 33 -18.601 1.506 1.996 1.00 0.00 C ATOM 1026 O SER B 33 -19.538 0.969 2.586 1.00 0.00 O ATOM 1027 CB SER B 33 -18.890 0.876 -0.418 1.00 0.00 C ATOM 1028 OG SER B 33 -20.153 0.280 -0.136 1.00 0.00 O ATOM 0 H SER B 33 -18.367 -1.211 1.055 1.00 0.00 H new ATOM 0 HA SER B 33 -17.038 1.361 0.527 1.00 0.00 H new ATOM 0 HB2 SER B 33 -19.038 1.913 -0.720 1.00 0.00 H new ATOM 0 HB3 SER B 33 -18.426 0.362 -1.260 1.00 0.00 H new ATOM 0 HG SER B 33 -20.292 0.252 0.834 1.00 0.00 H new ATOM 1034 N ALA B 34 -18.078 2.677 2.328 1.00 0.00 N ATOM 1035 CA ALA B 34 -18.597 3.436 3.453 1.00 0.00 C ATOM 1036 C ALA B 34 -19.016 4.828 2.974 1.00 0.00 C ATOM 1037 O ALA B 34 -18.407 5.827 3.352 1.00 0.00 O ATOM 1038 CB ALA B 34 -17.543 3.494 4.560 1.00 0.00 C ATOM 0 H ALA B 34 -17.300 3.119 1.838 1.00 0.00 H new ATOM 0 HA ALA B 34 -19.480 2.950 3.868 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -17.933 4.063 5.404 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -17.301 2.482 4.886 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -16.643 3.978 4.180 1.00 0.00 H new ATOM 1044 N ALA B 35 -20.052 4.847 2.149 1.00 0.00 N ATOM 1045 CA ALA B 35 -20.554 6.099 1.608 1.00 0.00 C ATOM 1046 C ALA B 35 -21.806 5.823 0.772 1.00 0.00 C ATOM 1047 O ALA B 35 -21.764 5.887 -0.456 1.00 0.00 O ATOM 1048 CB ALA B 35 -19.452 6.784 0.797 1.00 0.00 C ATOM 0 H ALA B 35 -20.558 4.016 1.842 1.00 0.00 H new ATOM 0 HA ALA B 35 -20.837 6.778 2.412 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -19.829 7.723 0.391 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -18.597 6.985 1.442 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -19.144 6.133 -0.021 1.00 0.00 H new ATOM 1054 N ALA B 36 -22.890 5.521 1.471 1.00 0.00 N ATOM 1055 CA ALA B 36 -24.149 5.226 0.808 1.00 0.00 C ATOM 1056 C ALA B 36 -25.234 4.998 1.863 1.00 0.00 C ATOM 1057 O ALA B 36 -25.449 3.870 2.304 1.00 0.00 O ATOM 1058 CB ALA B 36 -23.971 4.019 -0.114 1.00 0.00 C ATOM 0 H ALA B 36 -22.923 5.474 2.489 1.00 0.00 H new ATOM 0 HA ALA B 36 -24.462 6.066 0.188 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -24.916 3.798 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -23.211 4.242 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -23.660 3.155 0.473 1.00 0.00 H new ATOM 1064 N ALA B 37 -25.890 6.088 2.236 1.00 0.00 N ATOM 1065 CA ALA B 37 -26.947 6.021 3.230 1.00 0.00 C ATOM 1066 C ALA B 37 -26.406 5.365 4.502 1.00 0.00 C ATOM 1067 O ALA B 37 -25.465 5.871 5.113 1.00 0.00 O ATOM 1068 CB ALA B 37 -28.146 5.267 2.650 1.00 0.00 C ATOM 0 H ALA B 37 -25.709 7.022 1.867 1.00 0.00 H new ATOM 0 HA ALA B 37 -27.288 7.022 3.495 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -28.939 5.217 3.396 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -28.512 5.790 1.766 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -27.842 4.257 2.375 1.00 0.00 H new TER 1074 ALA B 37