USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 497 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 50 THR OG1 : rot -108:sc= 1.79 USER MOD Set 1.2: A 55 THR OG1 : rot -97:sc= 1.75 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 100:sc= 1.15 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= -0.1 USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.116 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.61 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 94:sc= -0.157 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-3.6!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.278 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -7.21! C(o=-7.2!,f=-6.7!) USER MOD Single : A 39 HIS : no HE2:sc= -3.36 K(o=-3.4,f=-7.1!) USER MOD Single : A 41 SER OG : rot 30:sc= -2.67! USER MOD Single : A 42 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.1!) USER MOD Single : A 52 ASN : amide:sc= -0.0225 K(o=-0.023,f=-1.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.21 K(o=-1.2,f=0.093) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 16:sc= 1.12 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.282 -20.263 17.309 1.00 0.00 N ATOM 2 CA GLY A 1 7.013 -20.952 18.358 1.00 0.00 C ATOM 3 C GLY A 1 8.191 -21.739 17.780 1.00 0.00 C ATOM 4 O GLY A 1 8.596 -21.509 16.641 1.00 0.00 O ATOM 0 H1 GLY A 1 6.064 -19.294 17.617 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.862 -20.230 16.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.396 -20.771 17.112 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.377 -20.229 19.088 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.343 -21.630 18.888 1.00 0.00 H new ATOM 8 N SER A 2 8.707 -22.652 18.590 1.00 0.00 N ATOM 9 CA SER A 2 9.830 -23.474 18.172 1.00 0.00 C ATOM 10 C SER A 2 9.322 -24.780 17.558 1.00 0.00 C ATOM 11 O SER A 2 9.614 -25.080 16.401 1.00 0.00 O ATOM 12 CB SER A 2 10.764 -23.768 19.348 1.00 0.00 C ATOM 13 OG SER A 2 10.073 -24.367 20.441 1.00 0.00 O ATOM 0 H SER A 2 8.368 -22.841 19.533 1.00 0.00 H new ATOM 0 HA SER A 2 10.397 -22.924 17.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.565 -24.430 19.018 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.233 -22.841 19.679 1.00 0.00 H new ATOM 0 HG SER A 2 10.703 -24.541 21.171 1.00 0.00 H new ATOM 19 N SER A 3 8.571 -25.521 18.359 1.00 0.00 N ATOM 20 CA SER A 3 8.020 -26.788 17.908 1.00 0.00 C ATOM 21 C SER A 3 6.825 -26.540 16.986 1.00 0.00 C ATOM 22 O SER A 3 6.255 -25.450 16.982 1.00 0.00 O ATOM 23 CB SER A 3 7.604 -27.660 19.093 1.00 0.00 C ATOM 24 OG SER A 3 8.678 -27.867 20.007 1.00 0.00 O ATOM 0 H SER A 3 8.331 -25.269 19.318 1.00 0.00 H new ATOM 0 HA SER A 3 8.794 -27.320 17.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.770 -27.190 19.614 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.249 -28.623 18.727 1.00 0.00 H new ATOM 0 HG SER A 3 8.372 -28.427 20.750 1.00 0.00 H new ATOM 30 N GLY A 4 6.480 -27.570 16.227 1.00 0.00 N ATOM 31 CA GLY A 4 5.363 -27.477 15.303 1.00 0.00 C ATOM 32 C GLY A 4 5.764 -26.728 14.030 1.00 0.00 C ATOM 33 O GLY A 4 6.216 -27.338 13.063 1.00 0.00 O ATOM 0 H GLY A 4 6.954 -28.473 16.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.015 -28.477 15.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.530 -26.964 15.784 1.00 0.00 H new ATOM 37 N SER A 5 5.584 -25.416 14.073 1.00 0.00 N ATOM 38 CA SER A 5 5.921 -24.577 12.936 1.00 0.00 C ATOM 39 C SER A 5 5.229 -25.099 11.676 1.00 0.00 C ATOM 40 O SER A 5 5.834 -25.820 10.884 1.00 0.00 O ATOM 41 CB SER A 5 7.435 -24.519 12.724 1.00 0.00 C ATOM 42 OG SER A 5 8.083 -23.721 13.711 1.00 0.00 O ATOM 0 H SER A 5 5.209 -24.914 14.878 1.00 0.00 H new ATOM 0 HA SER A 5 5.571 -23.566 13.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.843 -25.529 12.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.647 -24.114 11.734 1.00 0.00 H new ATOM 0 HG SER A 5 9.048 -23.711 13.541 1.00 0.00 H new ATOM 48 N SER A 6 3.969 -24.716 11.530 1.00 0.00 N ATOM 49 CA SER A 6 3.187 -25.137 10.379 1.00 0.00 C ATOM 50 C SER A 6 2.302 -23.986 9.898 1.00 0.00 C ATOM 51 O SER A 6 1.368 -23.585 10.591 1.00 0.00 O ATOM 52 CB SER A 6 2.332 -26.361 10.713 1.00 0.00 C ATOM 53 OG SER A 6 1.692 -26.896 9.558 1.00 0.00 O ATOM 0 H SER A 6 3.470 -24.119 12.189 1.00 0.00 H new ATOM 0 HA SER A 6 3.875 -25.415 9.581 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.959 -27.128 11.168 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.578 -26.086 11.451 1.00 0.00 H new ATOM 0 HG SER A 6 1.157 -27.677 9.812 1.00 0.00 H new ATOM 59 N GLY A 7 2.627 -23.486 8.715 1.00 0.00 N ATOM 60 CA GLY A 7 1.873 -22.389 8.133 1.00 0.00 C ATOM 61 C GLY A 7 2.688 -21.094 8.150 1.00 0.00 C ATOM 62 O GLY A 7 3.804 -21.066 8.665 1.00 0.00 O ATOM 0 H GLY A 7 3.403 -23.821 8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.597 -22.636 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.945 -22.246 8.687 1.00 0.00 H new ATOM 66 N THR A 8 2.098 -20.054 7.579 1.00 0.00 N ATOM 67 CA THR A 8 2.755 -18.759 7.522 1.00 0.00 C ATOM 68 C THR A 8 2.032 -17.754 8.421 1.00 0.00 C ATOM 69 O THR A 8 0.889 -17.979 8.816 1.00 0.00 O ATOM 70 CB THR A 8 2.819 -18.326 6.056 1.00 0.00 C ATOM 71 OG1 THR A 8 4.163 -17.883 5.884 1.00 0.00 O ATOM 72 CG2 THR A 8 1.977 -17.080 5.776 1.00 0.00 C ATOM 0 H THR A 8 1.172 -20.082 7.152 1.00 0.00 H new ATOM 0 HA THR A 8 3.774 -18.815 7.905 1.00 0.00 H new ATOM 0 HB THR A 8 2.479 -19.144 5.421 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.294 -17.585 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.058 -16.816 4.722 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.934 -17.283 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.338 -16.252 6.386 1.00 0.00 H new ATOM 80 N PRO A 9 2.748 -16.639 8.727 1.00 0.00 N ATOM 81 CA PRO A 9 2.187 -15.598 9.572 1.00 0.00 C ATOM 82 C PRO A 9 1.153 -14.769 8.808 1.00 0.00 C ATOM 83 O PRO A 9 0.624 -15.214 7.791 1.00 0.00 O ATOM 84 CB PRO A 9 3.382 -14.780 10.034 1.00 0.00 C ATOM 85 CG PRO A 9 4.508 -15.104 9.065 1.00 0.00 C ATOM 86 CD PRO A 9 4.104 -16.339 8.277 1.00 0.00 C ATOM 0 HA PRO A 9 1.641 -15.998 10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.153 -13.714 10.025 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.660 -15.037 11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.687 -14.264 8.393 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.437 -15.283 9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.132 -16.151 7.204 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.779 -17.172 8.472 1.00 0.00 H new ATOM 94 N PHE A 10 0.898 -13.577 9.327 1.00 0.00 N ATOM 95 CA PHE A 10 -0.063 -12.681 8.706 1.00 0.00 C ATOM 96 C PHE A 10 0.137 -12.627 7.190 1.00 0.00 C ATOM 97 O PHE A 10 1.121 -13.151 6.672 1.00 0.00 O ATOM 98 CB PHE A 10 0.182 -11.288 9.290 1.00 0.00 C ATOM 99 CG PHE A 10 -0.315 -11.119 10.727 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.489 -11.460 11.770 1.00 0.00 C ATOM 101 CD2 PHE A 10 -1.562 -10.628 10.962 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.027 -11.303 13.103 1.00 0.00 C ATOM 103 CE2 PHE A 10 -2.023 -10.471 12.296 1.00 0.00 C ATOM 104 CZ PHE A 10 -1.219 -10.812 13.338 1.00 0.00 C ATOM 0 H PHE A 10 1.340 -13.211 10.170 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.077 -13.031 8.900 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.251 -11.075 9.259 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.309 -10.549 8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.479 -11.850 11.584 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.201 -10.358 10.134 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.665 -11.574 13.931 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.012 -10.081 12.483 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.570 -10.693 14.352 1.00 0.00 H new ATOM 114 N ARG A 11 -0.814 -11.990 6.522 1.00 0.00 N ATOM 115 CA ARG A 11 -0.755 -11.862 5.076 1.00 0.00 C ATOM 116 C ARG A 11 0.107 -10.660 4.685 1.00 0.00 C ATOM 117 O ARG A 11 0.363 -9.781 5.506 1.00 0.00 O ATOM 118 CB ARG A 11 -2.154 -11.693 4.481 1.00 0.00 C ATOM 119 CG ARG A 11 -2.489 -12.845 3.531 1.00 0.00 C ATOM 120 CD ARG A 11 -3.986 -12.881 3.219 1.00 0.00 C ATOM 121 NE ARG A 11 -4.412 -14.270 2.939 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.673 -14.629 2.664 1.00 0.00 C ATOM 123 NH1 ARG A 11 -6.641 -13.702 2.631 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.968 -15.913 2.423 1.00 0.00 N ATOM 0 H ARG A 11 -1.629 -11.557 6.956 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.312 -12.776 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.891 -11.652 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.213 -10.746 3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.924 -12.734 2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.184 -13.791 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.551 -12.482 4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.202 -12.246 2.360 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.700 -15.001 2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.417 -12.724 2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.601 -13.975 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.232 -16.619 2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.929 -16.185 2.214 1.00 0.00 H new ATOM 138 N LYS A 12 0.532 -10.661 3.430 1.00 0.00 N ATOM 139 CA LYS A 12 1.361 -9.582 2.920 1.00 0.00 C ATOM 140 C LYS A 12 0.890 -9.205 1.513 1.00 0.00 C ATOM 141 O LYS A 12 0.435 -10.061 0.757 1.00 0.00 O ATOM 142 CB LYS A 12 2.841 -9.963 2.991 1.00 0.00 C ATOM 143 CG LYS A 12 3.278 -10.192 4.439 1.00 0.00 C ATOM 144 CD LYS A 12 4.626 -10.914 4.497 1.00 0.00 C ATOM 145 CE LYS A 12 4.594 -12.202 3.672 1.00 0.00 C ATOM 146 NZ LYS A 12 5.270 -13.300 4.399 1.00 0.00 N ATOM 0 H LYS A 12 0.318 -11.392 2.751 1.00 0.00 H new ATOM 0 HA LYS A 12 1.255 -8.693 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.016 -10.867 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.446 -9.173 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.351 -9.235 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.524 -10.780 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.411 -10.257 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.873 -11.147 5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.561 -12.480 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.083 -12.038 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.239 -14.167 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.260 -13.039 4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.786 -13.467 5.304 1.00 0.00 H new ATOM 160 N ALA A 13 1.016 -7.922 1.206 1.00 0.00 N ATOM 161 CA ALA A 13 0.609 -7.422 -0.096 1.00 0.00 C ATOM 162 C ALA A 13 1.747 -6.593 -0.697 1.00 0.00 C ATOM 163 O ALA A 13 2.548 -6.011 0.032 1.00 0.00 O ATOM 164 CB ALA A 13 -0.685 -6.617 0.047 1.00 0.00 C ATOM 0 H ALA A 13 1.394 -7.214 1.836 1.00 0.00 H new ATOM 0 HA ALA A 13 0.406 -8.248 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.990 -6.242 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.469 -7.257 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.519 -5.778 0.722 1.00 0.00 H new ATOM 170 N LYS A 14 1.781 -6.568 -2.021 1.00 0.00 N ATOM 171 CA LYS A 14 2.807 -5.821 -2.729 1.00 0.00 C ATOM 172 C LYS A 14 2.158 -4.655 -3.479 1.00 0.00 C ATOM 173 O LYS A 14 1.156 -4.838 -4.168 1.00 0.00 O ATOM 174 CB LYS A 14 3.624 -6.751 -3.627 1.00 0.00 C ATOM 175 CG LYS A 14 4.539 -5.952 -4.557 1.00 0.00 C ATOM 176 CD LYS A 14 5.022 -6.814 -5.725 1.00 0.00 C ATOM 177 CE LYS A 14 3.990 -6.836 -6.854 1.00 0.00 C ATOM 178 NZ LYS A 14 4.323 -5.825 -7.882 1.00 0.00 N ATOM 0 H LYS A 14 1.115 -7.053 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 14 3.519 -5.391 -2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.222 -7.423 -3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.953 -7.373 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.005 -5.082 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.396 -5.579 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.969 -6.426 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.209 -7.830 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.959 -7.827 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.997 -6.639 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.612 -5.854 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.329 -4.879 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.262 -6.030 -8.279 1.00 0.00 H new ATOM 192 N ALA A 15 2.756 -3.484 -3.318 1.00 0.00 N ATOM 193 CA ALA A 15 2.248 -2.289 -3.971 1.00 0.00 C ATOM 194 C ALA A 15 2.456 -2.412 -5.482 1.00 0.00 C ATOM 195 O ALA A 15 3.555 -2.722 -5.938 1.00 0.00 O ATOM 196 CB ALA A 15 2.939 -1.055 -3.387 1.00 0.00 C ATOM 0 H ALA A 15 3.587 -3.337 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 15 1.178 -2.179 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.558 -0.159 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.738 -0.997 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.014 -1.129 -3.550 1.00 0.00 H new ATOM 202 N LEU A 16 1.381 -2.163 -6.217 1.00 0.00 N ATOM 203 CA LEU A 16 1.432 -2.242 -7.667 1.00 0.00 C ATOM 204 C LEU A 16 2.066 -0.965 -8.221 1.00 0.00 C ATOM 205 O LEU A 16 2.978 -1.027 -9.044 1.00 0.00 O ATOM 206 CB LEU A 16 0.042 -2.536 -8.236 1.00 0.00 C ATOM 207 CG LEU A 16 -0.620 -3.829 -7.756 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.104 -3.856 -8.126 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.125 -5.056 -8.286 1.00 0.00 C ATOM 0 H LEU A 16 0.471 -1.907 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 16 2.063 -3.073 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.614 -1.702 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.116 -2.571 -9.323 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.559 -3.860 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.550 -4.786 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.611 -3.011 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.210 -3.791 -9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.366 -5.962 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.118 -5.044 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.155 -5.038 -7.930 1.00 0.00 H new ATOM 221 N TYR A 17 1.557 0.164 -7.748 1.00 0.00 N ATOM 222 CA TYR A 17 2.062 1.454 -8.186 1.00 0.00 C ATOM 223 C TYR A 17 2.453 2.324 -6.990 1.00 0.00 C ATOM 224 O TYR A 17 1.866 2.209 -5.916 1.00 0.00 O ATOM 225 CB TYR A 17 0.910 2.125 -8.936 1.00 0.00 C ATOM 226 CG TYR A 17 0.145 1.187 -9.871 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.872 0.397 -9.374 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.471 1.130 -11.210 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.592 -0.487 -10.254 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.249 0.247 -12.090 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.245 -0.518 -11.569 1.00 0.00 C ATOM 232 OH TYR A 17 -1.926 -1.353 -12.400 1.00 0.00 O ATOM 0 H TYR A 17 0.800 0.212 -7.066 1.00 0.00 H new ATOM 0 HA TYR A 17 2.948 1.329 -8.808 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.214 2.545 -8.210 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.305 2.958 -9.518 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.128 0.442 -8.326 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.267 1.748 -11.598 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.389 -1.111 -9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.004 0.193 -13.140 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.572 -1.270 -13.310 1.00 0.00 H new ATOM 242 N ALA A 18 3.442 3.176 -7.218 1.00 0.00 N ATOM 243 CA ALA A 18 3.919 4.066 -6.172 1.00 0.00 C ATOM 244 C ALA A 18 2.825 5.081 -5.835 1.00 0.00 C ATOM 245 O ALA A 18 2.293 5.745 -6.724 1.00 0.00 O ATOM 246 CB ALA A 18 5.217 4.737 -6.625 1.00 0.00 C ATOM 0 H ALA A 18 3.926 3.269 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 18 4.141 3.506 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.575 5.404 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.970 3.975 -6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.032 5.311 -7.533 1.00 0.00 H new ATOM 252 N CYS A 19 2.521 5.171 -4.548 1.00 0.00 N ATOM 253 CA CYS A 19 1.500 6.094 -4.083 1.00 0.00 C ATOM 254 C CYS A 19 2.103 6.956 -2.972 1.00 0.00 C ATOM 255 O CYS A 19 2.785 6.445 -2.085 1.00 0.00 O ATOM 256 CB CYS A 19 0.243 5.358 -3.616 1.00 0.00 C ATOM 257 SG CYS A 19 -1.250 6.296 -4.106 1.00 0.00 S ATOM 0 H CYS A 19 2.964 4.620 -3.813 1.00 0.00 H new ATOM 0 HA CYS A 19 1.182 6.734 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.214 4.359 -4.051 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.265 5.234 -2.533 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.687 5.852 -5.247 1.00 0.00 H new ATOM 263 N LYS A 20 1.829 8.250 -3.056 1.00 0.00 N ATOM 264 CA LYS A 20 2.336 9.188 -2.069 1.00 0.00 C ATOM 265 C LYS A 20 1.175 9.697 -1.213 1.00 0.00 C ATOM 266 O LYS A 20 0.340 10.465 -1.686 1.00 0.00 O ATOM 267 CB LYS A 20 3.133 10.302 -2.749 1.00 0.00 C ATOM 268 CG LYS A 20 3.880 11.150 -1.717 1.00 0.00 C ATOM 269 CD LYS A 20 5.102 11.826 -2.344 1.00 0.00 C ATOM 270 CE LYS A 20 6.397 11.305 -1.718 1.00 0.00 C ATOM 271 NZ LYS A 20 7.424 11.083 -2.760 1.00 0.00 N ATOM 0 H LYS A 20 1.262 8.671 -3.792 1.00 0.00 H new ATOM 0 HA LYS A 20 3.036 8.692 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.844 9.868 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.460 10.935 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.210 11.907 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.195 10.522 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.113 11.642 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.036 12.905 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.766 12.020 -0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.202 10.373 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.296 10.729 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.076 10.384 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.622 11.979 -3.249 1.00 0.00 H new ATOM 285 N ALA A 21 1.159 9.247 0.034 1.00 0.00 N ATOM 286 CA ALA A 21 0.115 9.648 0.961 1.00 0.00 C ATOM 287 C ALA A 21 -0.018 11.172 0.946 1.00 0.00 C ATOM 288 O ALA A 21 0.718 11.856 0.235 1.00 0.00 O ATOM 289 CB ALA A 21 0.433 9.104 2.355 1.00 0.00 C ATOM 0 H ALA A 21 1.853 8.609 0.423 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.846 9.231 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.350 9.405 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.487 8.016 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.390 9.503 2.692 1.00 0.00 H new ATOM 295 N GLU A 22 -0.960 11.660 1.739 1.00 0.00 N ATOM 296 CA GLU A 22 -1.198 13.091 1.826 1.00 0.00 C ATOM 297 C GLU A 22 -2.182 13.397 2.957 1.00 0.00 C ATOM 298 O GLU A 22 -2.011 14.374 3.685 1.00 0.00 O ATOM 299 CB GLU A 22 -1.706 13.644 0.493 1.00 0.00 C ATOM 300 CG GLU A 22 -2.833 12.775 -0.068 1.00 0.00 C ATOM 301 CD GLU A 22 -4.163 13.531 -0.063 1.00 0.00 C ATOM 302 OE1 GLU A 22 -4.677 13.769 1.052 1.00 0.00 O ATOM 303 OE2 GLU A 22 -4.636 13.854 -1.174 1.00 0.00 O ATOM 0 H GLU A 22 -1.568 11.090 2.327 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.252 13.584 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.063 14.664 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.885 13.688 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.589 12.469 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.925 11.865 0.525 1.00 0.00 H new ATOM 310 N HIS A 23 -3.190 12.545 3.069 1.00 0.00 N ATOM 311 CA HIS A 23 -4.201 12.712 4.099 1.00 0.00 C ATOM 312 C HIS A 23 -3.530 12.768 5.473 1.00 0.00 C ATOM 313 O HIS A 23 -3.335 13.847 6.029 1.00 0.00 O ATOM 314 CB HIS A 23 -5.263 11.615 4.002 1.00 0.00 C ATOM 315 CG HIS A 23 -6.370 11.740 5.022 1.00 0.00 C ATOM 316 ND1 HIS A 23 -6.142 11.690 6.386 1.00 0.00 N ATOM 317 CD2 HIS A 23 -7.713 11.913 4.861 1.00 0.00 C ATOM 318 CE1 HIS A 23 -7.303 11.828 7.009 1.00 0.00 C ATOM 319 NE2 HIS A 23 -8.276 11.965 6.063 1.00 0.00 N ATOM 0 H HIS A 23 -3.328 11.736 2.463 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.724 13.657 3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.699 11.633 3.003 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.781 10.645 4.121 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.231 11.994 3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.453 11.831 8.079 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.272 12.087 6.248 1.00 0.00 H new ATOM 327 N ASP A 24 -3.194 11.591 5.980 1.00 0.00 N ATOM 328 CA ASP A 24 -2.548 11.492 7.278 1.00 0.00 C ATOM 329 C ASP A 24 -2.548 10.031 7.733 1.00 0.00 C ATOM 330 O ASP A 24 -1.574 9.558 8.315 1.00 0.00 O ATOM 331 CB ASP A 24 -3.296 12.314 8.329 1.00 0.00 C ATOM 332 CG ASP A 24 -2.446 13.353 9.063 1.00 0.00 C ATOM 333 OD1 ASP A 24 -1.276 13.518 8.656 1.00 0.00 O ATOM 334 OD2 ASP A 24 -2.985 13.959 10.014 1.00 0.00 O ATOM 0 H ASP A 24 -3.357 10.698 5.515 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.531 11.872 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.128 12.824 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.724 11.633 9.064 1.00 0.00 H new ATOM 339 N SER A 25 -3.653 9.356 7.449 1.00 0.00 N ATOM 340 CA SER A 25 -3.793 7.958 7.821 1.00 0.00 C ATOM 341 C SER A 25 -3.187 7.065 6.737 1.00 0.00 C ATOM 342 O SER A 25 -2.698 5.975 7.028 1.00 0.00 O ATOM 343 CB SER A 25 -5.260 7.594 8.051 1.00 0.00 C ATOM 344 OG SER A 25 -5.414 6.245 8.484 1.00 0.00 O ATOM 0 H SER A 25 -4.459 9.751 6.966 1.00 0.00 H new ATOM 0 HA SER A 25 -3.257 7.797 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.687 8.265 8.796 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.820 7.745 7.128 1.00 0.00 H new ATOM 0 HG SER A 25 -6.365 6.052 8.621 1.00 0.00 H new ATOM 350 N GLU A 26 -3.241 7.560 5.509 1.00 0.00 N ATOM 351 CA GLU A 26 -2.704 6.820 4.380 1.00 0.00 C ATOM 352 C GLU A 26 -1.188 6.665 4.519 1.00 0.00 C ATOM 353 O GLU A 26 -0.552 7.399 5.274 1.00 0.00 O ATOM 354 CB GLU A 26 -3.067 7.498 3.057 1.00 0.00 C ATOM 355 CG GLU A 26 -4.548 7.301 2.728 1.00 0.00 C ATOM 356 CD GLU A 26 -4.825 5.862 2.290 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.845 5.184 1.915 1.00 0.00 O ATOM 358 OE2 GLU A 26 -6.012 5.472 2.341 1.00 0.00 O ATOM 0 H GLU A 26 -3.648 8.464 5.271 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.152 5.826 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.843 8.563 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.455 7.088 2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.154 7.542 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.843 7.989 1.936 1.00 0.00 H new ATOM 365 N LEU A 27 -0.653 5.705 3.779 1.00 0.00 N ATOM 366 CA LEU A 27 0.776 5.445 3.810 1.00 0.00 C ATOM 367 C LEU A 27 1.380 5.775 2.444 1.00 0.00 C ATOM 368 O LEU A 27 0.660 5.889 1.454 1.00 0.00 O ATOM 369 CB LEU A 27 1.049 4.012 4.273 1.00 0.00 C ATOM 370 CG LEU A 27 0.409 3.603 5.601 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.352 2.080 5.735 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.131 4.255 6.782 1.00 0.00 C ATOM 0 H LEU A 27 -1.184 5.098 3.154 1.00 0.00 H new ATOM 0 HA LEU A 27 1.265 6.091 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.700 3.329 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.127 3.877 4.355 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.618 3.967 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.107 1.815 6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.240 1.665 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.362 1.673 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.656 3.948 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.175 3.943 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.077 5.340 6.688 1.00 0.00 H new ATOM 384 N SER A 28 2.697 5.920 2.434 1.00 0.00 N ATOM 385 CA SER A 28 3.407 6.236 1.206 1.00 0.00 C ATOM 386 C SER A 28 4.477 5.176 0.933 1.00 0.00 C ATOM 387 O SER A 28 5.189 4.759 1.845 1.00 0.00 O ATOM 388 CB SER A 28 4.042 7.626 1.278 1.00 0.00 C ATOM 389 OG SER A 28 5.207 7.638 2.099 1.00 0.00 O ATOM 0 H SER A 28 3.291 5.824 3.257 1.00 0.00 H new ATOM 0 HA SER A 28 2.689 6.238 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.303 7.958 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.315 8.337 1.670 1.00 0.00 H new ATOM 0 HG SER A 28 5.584 8.542 2.118 1.00 0.00 H new ATOM 395 N PHE A 29 4.556 4.772 -0.326 1.00 0.00 N ATOM 396 CA PHE A 29 5.527 3.770 -0.731 1.00 0.00 C ATOM 397 C PHE A 29 5.742 3.795 -2.245 1.00 0.00 C ATOM 398 O PHE A 29 5.214 4.664 -2.937 1.00 0.00 O ATOM 399 CB PHE A 29 4.957 2.408 -0.330 1.00 0.00 C ATOM 400 CG PHE A 29 3.454 2.264 -0.581 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.997 1.978 -1.830 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.576 2.422 0.445 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.603 1.845 -2.062 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.181 2.289 0.213 1.00 0.00 C ATOM 405 CZ PHE A 29 0.724 2.003 -1.036 1.00 0.00 C ATOM 0 H PHE A 29 3.963 5.120 -1.079 1.00 0.00 H new ATOM 0 HA PHE A 29 6.486 3.966 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.483 1.629 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.156 2.240 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.695 1.852 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.939 2.649 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.240 1.618 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.483 2.415 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.337 1.901 -1.213 1.00 0.00 H new ATOM 415 N THR A 30 6.518 2.829 -2.717 1.00 0.00 N ATOM 416 CA THR A 30 6.809 2.729 -4.136 1.00 0.00 C ATOM 417 C THR A 30 6.442 1.339 -4.660 1.00 0.00 C ATOM 418 O THR A 30 6.419 0.372 -3.900 1.00 0.00 O ATOM 419 CB THR A 30 8.282 3.087 -4.343 1.00 0.00 C ATOM 420 OG1 THR A 30 8.988 2.090 -3.611 1.00 0.00 O ATOM 421 CG2 THR A 30 8.668 4.398 -3.656 1.00 0.00 C ATOM 0 H THR A 30 6.954 2.109 -2.141 1.00 0.00 H new ATOM 0 HA THR A 30 6.205 3.429 -4.713 1.00 0.00 H new ATOM 0 HB THR A 30 8.491 3.162 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.952 2.246 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.723 4.605 -3.834 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.065 5.212 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.491 4.313 -2.584 1.00 0.00 H new ATOM 429 N ALA A 31 6.164 1.283 -5.954 1.00 0.00 N ATOM 430 CA ALA A 31 5.799 0.028 -6.587 1.00 0.00 C ATOM 431 C ALA A 31 6.834 -1.040 -6.226 1.00 0.00 C ATOM 432 O ALA A 31 8.036 -0.779 -6.252 1.00 0.00 O ATOM 433 CB ALA A 31 5.678 0.234 -8.098 1.00 0.00 C ATOM 0 H ALA A 31 6.184 2.087 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 31 4.830 -0.316 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.404 -0.708 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.911 0.980 -8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.633 0.577 -8.496 1.00 0.00 H new ATOM 439 N GLY A 32 6.330 -2.221 -5.899 1.00 0.00 N ATOM 440 CA GLY A 32 7.195 -3.329 -5.533 1.00 0.00 C ATOM 441 C GLY A 32 7.467 -3.339 -4.028 1.00 0.00 C ATOM 442 O GLY A 32 8.432 -3.950 -3.571 1.00 0.00 O ATOM 0 H GLY A 32 5.333 -2.434 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.731 -4.270 -5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.137 -3.254 -6.076 1.00 0.00 H new ATOM 446 N THR A 33 6.599 -2.655 -3.297 1.00 0.00 N ATOM 447 CA THR A 33 6.733 -2.577 -1.853 1.00 0.00 C ATOM 448 C THR A 33 5.785 -3.569 -1.175 1.00 0.00 C ATOM 449 O THR A 33 4.567 -3.461 -1.311 1.00 0.00 O ATOM 450 CB THR A 33 6.494 -1.126 -1.433 1.00 0.00 C ATOM 451 OG1 THR A 33 7.716 -0.466 -1.755 1.00 0.00 O ATOM 452 CG2 THR A 33 6.374 -0.967 0.084 1.00 0.00 C ATOM 0 H THR A 33 5.800 -2.149 -3.679 1.00 0.00 H new ATOM 0 HA THR A 33 7.735 -2.862 -1.533 1.00 0.00 H new ATOM 0 HB THR A 33 5.586 -0.755 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.619 0.004 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.205 0.082 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.537 -1.563 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.294 -1.306 0.559 1.00 0.00 H new ATOM 460 N VAL A 34 6.380 -4.513 -0.460 1.00 0.00 N ATOM 461 CA VAL A 34 5.603 -5.523 0.239 1.00 0.00 C ATOM 462 C VAL A 34 5.238 -5.006 1.632 1.00 0.00 C ATOM 463 O VAL A 34 6.112 -4.596 2.395 1.00 0.00 O ATOM 464 CB VAL A 34 6.375 -6.843 0.275 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.838 -7.762 1.374 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.338 -7.538 -1.087 1.00 0.00 C ATOM 0 H VAL A 34 7.390 -4.600 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 34 4.670 -5.721 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 34 7.416 -6.616 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.404 -8.694 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.941 -7.271 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.786 -7.977 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.894 -8.474 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.304 -7.746 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.789 -6.890 -1.838 1.00 0.00 H new ATOM 476 N PHE A 35 3.946 -5.041 1.921 1.00 0.00 N ATOM 477 CA PHE A 35 3.454 -4.581 3.209 1.00 0.00 C ATOM 478 C PHE A 35 3.291 -5.750 4.183 1.00 0.00 C ATOM 479 O PHE A 35 2.660 -6.753 3.854 1.00 0.00 O ATOM 480 CB PHE A 35 2.085 -3.943 2.963 1.00 0.00 C ATOM 481 CG PHE A 35 2.115 -2.760 1.994 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.335 -1.502 2.463 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.922 -2.965 0.663 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.363 -0.404 1.563 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.950 -1.867 -0.236 1.00 0.00 C ATOM 486 CZ PHE A 35 2.170 -0.609 0.233 1.00 0.00 C ATOM 0 H PHE A 35 3.224 -5.381 1.285 1.00 0.00 H new ATOM 0 HA PHE A 35 4.160 -3.874 3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.407 -4.702 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.675 -3.609 3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.488 -1.339 3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.747 -3.964 0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.538 0.595 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.797 -2.030 -1.293 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.191 0.226 -0.451 1.00 0.00 H new ATOM 496 N ASP A 36 3.872 -5.581 5.362 1.00 0.00 N ATOM 497 CA ASP A 36 3.799 -6.609 6.386 1.00 0.00 C ATOM 498 C ASP A 36 2.461 -6.499 7.119 1.00 0.00 C ATOM 499 O ASP A 36 2.022 -5.400 7.455 1.00 0.00 O ATOM 500 CB ASP A 36 4.918 -6.441 7.416 1.00 0.00 C ATOM 501 CG ASP A 36 6.062 -7.450 7.298 1.00 0.00 C ATOM 502 OD1 ASP A 36 5.802 -8.541 6.746 1.00 0.00 O ATOM 503 OD2 ASP A 36 7.170 -7.108 7.763 1.00 0.00 O ATOM 0 H ASP A 36 4.395 -4.748 5.631 1.00 0.00 H new ATOM 0 HA ASP A 36 3.901 -7.578 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.329 -5.436 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.487 -6.518 8.414 1.00 0.00 H new ATOM 508 N ASN A 37 1.850 -7.652 7.347 1.00 0.00 N ATOM 509 CA ASN A 37 0.571 -7.699 8.034 1.00 0.00 C ATOM 510 C ASN A 37 -0.429 -6.800 7.304 1.00 0.00 C ATOM 511 O ASN A 37 -0.576 -5.626 7.641 1.00 0.00 O ATOM 512 CB ASN A 37 0.699 -7.192 9.472 1.00 0.00 C ATOM 513 CG ASN A 37 -0.238 -7.956 10.409 1.00 0.00 C ATOM 514 OD1 ASN A 37 0.182 -8.641 11.327 1.00 0.00 O ATOM 515 ND2 ASN A 37 -1.529 -7.802 10.126 1.00 0.00 N ATOM 0 H ASN A 37 2.217 -8.562 7.068 1.00 0.00 H new ATOM 0 HA ASN A 37 0.233 -8.735 8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.729 -7.305 9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.466 -6.128 9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.235 -8.272 10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.813 -7.214 9.343 1.00 0.00 H new ATOM 522 N VAL A 38 -1.091 -7.385 6.316 1.00 0.00 N ATOM 523 CA VAL A 38 -2.073 -6.652 5.535 1.00 0.00 C ATOM 524 C VAL A 38 -3.469 -7.199 5.836 1.00 0.00 C ATOM 525 O VAL A 38 -3.626 -8.384 6.127 1.00 0.00 O ATOM 526 CB VAL A 38 -1.713 -6.715 4.050 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.815 -6.091 3.192 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.364 -6.045 3.783 1.00 0.00 C ATOM 0 H VAL A 38 -0.966 -8.359 6.039 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.071 -5.598 5.811 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.625 -7.765 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.534 -6.149 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.748 -6.632 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.949 -5.047 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.133 -6.104 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.411 -4.999 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.414 -6.554 4.352 1.00 0.00 H new ATOM 538 N HIS A 39 -4.448 -6.310 5.756 1.00 0.00 N ATOM 539 CA HIS A 39 -5.827 -6.689 6.016 1.00 0.00 C ATOM 540 C HIS A 39 -6.765 -5.589 5.515 1.00 0.00 C ATOM 541 O HIS A 39 -6.324 -4.480 5.218 1.00 0.00 O ATOM 542 CB HIS A 39 -6.031 -7.013 7.497 1.00 0.00 C ATOM 543 CG HIS A 39 -6.439 -5.825 8.335 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.739 -5.353 8.384 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.706 -5.021 9.157 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.775 -4.310 9.200 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.514 -4.106 9.678 1.00 0.00 N ATOM 0 H HIS A 39 -4.314 -5.328 5.515 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.067 -7.600 5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.793 -7.787 7.587 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.106 -7.427 7.898 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.534 -5.742 7.878 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.648 -5.113 9.351 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.649 -3.724 9.444 1.00 0.00 H new ATOM 555 N PRO A 40 -8.075 -5.943 5.435 1.00 0.00 N ATOM 556 CA PRO A 40 -9.079 -4.999 4.976 1.00 0.00 C ATOM 557 C PRO A 40 -9.390 -3.960 6.056 1.00 0.00 C ATOM 558 O PRO A 40 -9.844 -4.308 7.145 1.00 0.00 O ATOM 559 CB PRO A 40 -10.283 -5.852 4.608 1.00 0.00 C ATOM 560 CG PRO A 40 -10.078 -7.185 5.308 1.00 0.00 C ATOM 561 CD PRO A 40 -8.634 -7.247 5.779 1.00 0.00 C ATOM 0 HA PRO A 40 -8.745 -4.414 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.210 -5.379 4.932 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.353 -5.984 3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.760 -7.281 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.294 -8.010 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.575 -7.433 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.091 -8.053 5.286 1.00 0.00 H new ATOM 569 N SER A 41 -9.133 -2.706 5.717 1.00 0.00 N ATOM 570 CA SER A 41 -9.380 -1.614 6.643 1.00 0.00 C ATOM 571 C SER A 41 -10.883 -1.464 6.887 1.00 0.00 C ATOM 572 O SER A 41 -11.652 -2.390 6.633 1.00 0.00 O ATOM 573 CB SER A 41 -8.793 -0.302 6.118 1.00 0.00 C ATOM 574 OG SER A 41 -8.721 0.695 7.134 1.00 0.00 O ATOM 0 H SER A 41 -8.756 -2.421 4.813 1.00 0.00 H new ATOM 0 HA SER A 41 -8.887 -1.848 7.587 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.796 -0.485 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.404 0.064 5.293 1.00 0.00 H new ATOM 0 HG SER A 41 -8.597 0.265 8.006 1.00 0.00 H new ATOM 580 N GLN A 42 -11.256 -0.291 7.376 1.00 0.00 N ATOM 581 CA GLN A 42 -12.653 -0.007 7.657 1.00 0.00 C ATOM 582 C GLN A 42 -13.314 0.656 6.447 1.00 0.00 C ATOM 583 O GLN A 42 -14.538 0.666 6.331 1.00 0.00 O ATOM 584 CB GLN A 42 -12.796 0.865 8.906 1.00 0.00 C ATOM 585 CG GLN A 42 -13.319 0.047 10.089 1.00 0.00 C ATOM 586 CD GLN A 42 -14.802 -0.288 9.911 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.355 -0.215 8.826 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.411 -0.657 11.033 1.00 0.00 N ATOM 0 H GLN A 42 -10.615 0.474 7.585 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.162 -0.951 7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.831 1.303 9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.477 1.691 8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.743 -0.874 10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.177 0.606 11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.888 -0.697 11.908 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.401 -0.901 11.019 1.00 0.00 H new ATOM 597 N GLU A 43 -12.473 1.195 5.576 1.00 0.00 N ATOM 598 CA GLU A 43 -12.961 1.859 4.379 1.00 0.00 C ATOM 599 C GLU A 43 -13.124 0.849 3.241 1.00 0.00 C ATOM 600 O GLU A 43 -12.411 -0.151 3.187 1.00 0.00 O ATOM 601 CB GLU A 43 -12.030 3.002 3.968 1.00 0.00 C ATOM 602 CG GLU A 43 -12.755 4.348 4.026 1.00 0.00 C ATOM 603 CD GLU A 43 -12.744 5.036 2.659 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.630 5.207 2.119 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.850 5.374 2.185 1.00 0.00 O ATOM 0 H GLU A 43 -11.458 1.185 5.675 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.938 2.290 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.162 3.024 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.659 2.828 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.784 4.197 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.277 4.991 4.765 1.00 0.00 H new ATOM 612 N PRO A 44 -14.092 1.155 2.335 1.00 0.00 N ATOM 613 CA PRO A 44 -14.357 0.286 1.202 1.00 0.00 C ATOM 614 C PRO A 44 -13.268 0.426 0.136 1.00 0.00 C ATOM 615 O PRO A 44 -13.074 1.506 -0.419 1.00 0.00 O ATOM 616 CB PRO A 44 -15.733 0.699 0.703 1.00 0.00 C ATOM 617 CG PRO A 44 -15.985 2.084 1.277 1.00 0.00 C ATOM 618 CD PRO A 44 -14.955 2.332 2.367 1.00 0.00 C ATOM 0 HA PRO A 44 -14.345 -0.770 1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.765 0.716 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.496 -0.006 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.905 2.841 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.994 2.151 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.389 3.244 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.430 2.449 3.341 1.00 0.00 H new ATOM 626 N GLY A 45 -12.587 -0.682 -0.117 1.00 0.00 N ATOM 627 CA GLY A 45 -11.523 -0.696 -1.106 1.00 0.00 C ATOM 628 C GLY A 45 -10.235 -0.101 -0.534 1.00 0.00 C ATOM 629 O GLY A 45 -9.412 0.434 -1.275 1.00 0.00 O ATOM 0 H GLY A 45 -12.751 -1.576 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.341 -1.719 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.831 -0.129 -1.985 1.00 0.00 H new ATOM 633 N TRP A 46 -10.100 -0.215 0.779 1.00 0.00 N ATOM 634 CA TRP A 46 -8.926 0.305 1.459 1.00 0.00 C ATOM 635 C TRP A 46 -8.417 -0.775 2.415 1.00 0.00 C ATOM 636 O TRP A 46 -9.187 -1.330 3.198 1.00 0.00 O ATOM 637 CB TRP A 46 -9.241 1.627 2.163 1.00 0.00 C ATOM 638 CG TRP A 46 -9.373 2.821 1.215 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.497 3.384 0.750 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.293 3.580 0.633 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.221 4.446 -0.087 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.838 4.569 -0.160 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.901 3.436 0.772 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.065 5.491 -0.876 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.142 4.365 0.050 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.676 5.366 -0.753 1.00 0.00 C ATOM 0 H TRP A 46 -10.785 -0.660 1.390 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.137 0.537 0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.170 1.516 2.723 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.455 1.837 2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.493 3.049 0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.906 5.033 -0.564 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.453 2.670 1.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.516 6.257 -1.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.066 4.299 0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.022 6.045 -1.280 1.00 0.00 H new ATOM 657 N LEU A 47 -7.122 -1.040 2.321 1.00 0.00 N ATOM 658 CA LEU A 47 -6.500 -2.044 3.168 1.00 0.00 C ATOM 659 C LEU A 47 -5.776 -1.352 4.325 1.00 0.00 C ATOM 660 O LEU A 47 -5.482 -0.159 4.253 1.00 0.00 O ATOM 661 CB LEU A 47 -5.599 -2.961 2.339 1.00 0.00 C ATOM 662 CG LEU A 47 -6.268 -3.677 1.165 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.237 -4.425 0.318 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.388 -4.599 1.652 1.00 0.00 C ATOM 0 H LEU A 47 -6.486 -0.577 1.671 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.257 -2.693 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.769 -2.369 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.172 -3.714 3.002 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.726 -2.925 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.740 -4.925 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.507 -3.718 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.728 -5.166 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.847 -5.096 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.975 -5.347 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.141 -4.011 2.177 1.00 0.00 H new ATOM 676 N GLU A 48 -5.510 -2.129 5.364 1.00 0.00 N ATOM 677 CA GLU A 48 -4.826 -1.606 6.534 1.00 0.00 C ATOM 678 C GLU A 48 -3.674 -2.530 6.934 1.00 0.00 C ATOM 679 O GLU A 48 -3.889 -3.546 7.593 1.00 0.00 O ATOM 680 CB GLU A 48 -5.801 -1.410 7.697 1.00 0.00 C ATOM 681 CG GLU A 48 -5.228 -0.445 8.737 1.00 0.00 C ATOM 682 CD GLU A 48 -6.346 0.231 9.533 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.153 -0.517 10.125 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.369 1.481 9.531 1.00 0.00 O ATOM 0 H GLU A 48 -5.756 -3.117 5.420 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.411 -0.630 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.748 -1.024 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.012 -2.371 8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.569 -0.986 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.621 0.312 8.240 1.00 0.00 H new ATOM 691 N GLY A 49 -2.477 -2.144 6.518 1.00 0.00 N ATOM 692 CA GLY A 49 -1.290 -2.926 6.824 1.00 0.00 C ATOM 693 C GLY A 49 -0.132 -2.021 7.249 1.00 0.00 C ATOM 694 O GLY A 49 -0.300 -0.808 7.371 1.00 0.00 O ATOM 0 H GLY A 49 -2.303 -1.300 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.513 -3.636 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.999 -3.509 5.950 1.00 0.00 H new ATOM 698 N THR A 50 1.016 -2.645 7.464 1.00 0.00 N ATOM 699 CA THR A 50 2.202 -1.911 7.873 1.00 0.00 C ATOM 700 C THR A 50 3.238 -1.901 6.747 1.00 0.00 C ATOM 701 O THR A 50 3.270 -2.811 5.920 1.00 0.00 O ATOM 702 CB THR A 50 2.720 -2.536 9.170 1.00 0.00 C ATOM 703 OG1 THR A 50 1.622 -2.427 10.071 1.00 0.00 O ATOM 704 CG2 THR A 50 3.822 -1.699 9.823 1.00 0.00 C ATOM 0 H THR A 50 1.151 -3.651 7.363 1.00 0.00 H new ATOM 0 HA THR A 50 1.971 -0.864 8.069 1.00 0.00 H new ATOM 0 HB THR A 50 3.098 -3.538 8.965 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.816 -1.738 10.741 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.154 -2.187 10.739 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.663 -1.605 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.434 -0.708 10.059 1.00 0.00 H new ATOM 712 N LEU A 51 4.059 -0.861 6.752 1.00 0.00 N ATOM 713 CA LEU A 51 5.093 -0.720 5.741 1.00 0.00 C ATOM 714 C LEU A 51 6.464 -0.691 6.421 1.00 0.00 C ATOM 715 O LEU A 51 7.250 -1.626 6.281 1.00 0.00 O ATOM 716 CB LEU A 51 4.818 0.500 4.859 1.00 0.00 C ATOM 717 CG LEU A 51 6.020 1.063 4.099 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.569 0.038 3.104 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.669 2.389 3.421 1.00 0.00 C ATOM 0 H LEU A 51 4.029 -0.108 7.440 1.00 0.00 H new ATOM 0 HA LEU A 51 5.088 -1.578 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.048 0.234 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.407 1.291 5.486 1.00 0.00 H new ATOM 0 HG LEU A 51 6.812 1.270 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.423 0.464 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.883 -0.858 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.792 -0.223 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.541 2.767 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.853 2.232 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.363 3.114 4.176 1.00 0.00 H new ATOM 731 N ASN A 52 6.708 0.394 7.142 1.00 0.00 N ATOM 732 CA ASN A 52 7.970 0.557 7.843 1.00 0.00 C ATOM 733 C ASN A 52 7.694 0.965 9.292 1.00 0.00 C ATOM 734 O ASN A 52 7.829 2.135 9.647 1.00 0.00 O ATOM 735 CB ASN A 52 8.821 1.652 7.198 1.00 0.00 C ATOM 736 CG ASN A 52 9.533 1.128 5.949 1.00 0.00 C ATOM 737 OD1 ASN A 52 9.466 -0.042 5.609 1.00 0.00 O ATOM 738 ND2 ASN A 52 10.217 2.056 5.287 1.00 0.00 N ATOM 0 H ASN A 52 6.053 1.168 7.256 1.00 0.00 H new ATOM 0 HA ASN A 52 8.506 -0.391 7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.189 2.500 6.932 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.557 2.016 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.727 1.806 4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.232 3.018 5.626 1.00 0.00 H new ATOM 745 N GLY A 53 7.312 -0.022 10.089 1.00 0.00 N ATOM 746 CA GLY A 53 7.016 0.220 11.491 1.00 0.00 C ATOM 747 C GLY A 53 5.899 1.254 11.645 1.00 0.00 C ATOM 748 O GLY A 53 5.805 1.923 12.673 1.00 0.00 O ATOM 0 H GLY A 53 7.201 -0.991 9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.721 -0.713 11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.914 0.570 12.001 1.00 0.00 H new ATOM 752 N LYS A 54 5.081 1.354 10.607 1.00 0.00 N ATOM 753 CA LYS A 54 3.974 2.295 10.614 1.00 0.00 C ATOM 754 C LYS A 54 2.752 1.644 9.964 1.00 0.00 C ATOM 755 O LYS A 54 2.885 0.882 9.008 1.00 0.00 O ATOM 756 CB LYS A 54 4.389 3.614 9.960 1.00 0.00 C ATOM 757 CG LYS A 54 3.384 4.724 10.276 1.00 0.00 C ATOM 758 CD LYS A 54 3.952 6.098 9.915 1.00 0.00 C ATOM 759 CE LYS A 54 3.345 6.616 8.610 1.00 0.00 C ATOM 760 NZ LYS A 54 4.367 7.327 7.809 1.00 0.00 N ATOM 0 H LYS A 54 5.163 0.799 9.755 1.00 0.00 H new ATOM 0 HA LYS A 54 3.694 2.547 11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.379 3.903 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.462 3.481 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.461 4.552 9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.130 4.699 11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.747 6.803 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.036 6.033 9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.939 5.784 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.515 7.287 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.938 7.672 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.736 8.133 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.146 6.676 7.584 1.00 0.00 H new ATOM 774 N THR A 55 1.588 1.968 10.509 1.00 0.00 N ATOM 775 CA THR A 55 0.343 1.424 9.995 1.00 0.00 C ATOM 776 C THR A 55 -0.581 2.553 9.533 1.00 0.00 C ATOM 777 O THR A 55 -0.617 3.619 10.145 1.00 0.00 O ATOM 778 CB THR A 55 -0.272 0.541 11.082 1.00 0.00 C ATOM 779 OG1 THR A 55 0.635 -0.553 11.194 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.584 -0.108 10.636 1.00 0.00 C ATOM 0 H THR A 55 1.481 2.601 11.302 1.00 0.00 H new ATOM 0 HA THR A 55 0.515 0.806 9.114 1.00 0.00 H new ATOM 0 HB THR A 55 -0.447 1.137 11.978 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.304 -1.308 10.663 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.978 -0.724 11.444 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.307 0.668 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.402 -0.731 9.760 1.00 0.00 H new ATOM 788 N GLY A 56 -1.306 2.279 8.459 1.00 0.00 N ATOM 789 CA GLY A 56 -2.228 3.258 7.909 1.00 0.00 C ATOM 790 C GLY A 56 -3.143 2.620 6.861 1.00 0.00 C ATOM 791 O GLY A 56 -3.241 1.397 6.779 1.00 0.00 O ATOM 0 H GLY A 56 -1.274 1.393 7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.830 3.686 8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.668 4.077 7.458 1.00 0.00 H new ATOM 795 N LEU A 57 -3.791 3.479 6.087 1.00 0.00 N ATOM 796 CA LEU A 57 -4.695 3.015 5.048 1.00 0.00 C ATOM 797 C LEU A 57 -3.910 2.807 3.751 1.00 0.00 C ATOM 798 O LEU A 57 -2.984 3.559 3.454 1.00 0.00 O ATOM 799 CB LEU A 57 -5.880 3.972 4.903 1.00 0.00 C ATOM 800 CG LEU A 57 -6.767 4.134 6.139 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.928 5.090 5.860 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.252 2.775 6.647 1.00 0.00 C ATOM 0 H LEU A 57 -3.708 4.493 6.159 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.125 2.051 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.497 4.954 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.502 3.626 4.077 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.168 4.580 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.543 5.187 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.535 6.068 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.535 4.697 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.880 2.918 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.828 2.279 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.393 2.158 6.912 1.00 0.00 H new ATOM 814 N ILE A 58 -4.310 1.782 3.013 1.00 0.00 N ATOM 815 CA ILE A 58 -3.656 1.465 1.755 1.00 0.00 C ATOM 816 C ILE A 58 -4.718 1.174 0.692 1.00 0.00 C ATOM 817 O ILE A 58 -5.726 0.529 0.977 1.00 0.00 O ATOM 818 CB ILE A 58 -2.650 0.328 1.946 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.626 0.678 3.028 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.980 -0.039 0.620 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.941 -0.581 3.562 1.00 0.00 C ATOM 0 H ILE A 58 -5.079 1.160 3.262 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.076 2.318 1.402 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.192 -0.554 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.878 1.358 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.121 1.202 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.270 -0.849 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.738 -0.360 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.454 0.830 0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.218 -0.304 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.689 -1.248 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.427 -1.089 2.746 1.00 0.00 H new ATOM 833 N PRO A 59 -4.449 1.677 -0.542 1.00 0.00 N ATOM 834 CA PRO A 59 -5.369 1.478 -1.648 1.00 0.00 C ATOM 835 C PRO A 59 -5.289 0.045 -2.177 1.00 0.00 C ATOM 836 O PRO A 59 -4.242 -0.385 -2.659 1.00 0.00 O ATOM 837 CB PRO A 59 -4.969 2.517 -2.684 1.00 0.00 C ATOM 838 CG PRO A 59 -3.557 2.946 -2.321 1.00 0.00 C ATOM 839 CD PRO A 59 -3.265 2.446 -0.915 1.00 0.00 C ATOM 0 HA PRO A 59 -6.411 1.606 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.004 2.099 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.651 3.367 -2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.839 2.534 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.464 4.031 -2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.368 1.827 -0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.098 3.275 -0.227 1.00 0.00 H new ATOM 847 N GLU A 60 -6.408 -0.655 -2.070 1.00 0.00 N ATOM 848 CA GLU A 60 -6.478 -2.031 -2.532 1.00 0.00 C ATOM 849 C GLU A 60 -6.224 -2.099 -4.039 1.00 0.00 C ATOM 850 O GLU A 60 -5.823 -3.139 -4.558 1.00 0.00 O ATOM 851 CB GLU A 60 -7.825 -2.662 -2.173 1.00 0.00 C ATOM 852 CG GLU A 60 -8.105 -3.888 -3.045 1.00 0.00 C ATOM 853 CD GLU A 60 -9.059 -4.855 -2.341 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.985 -4.918 -1.095 1.00 0.00 O ATOM 855 OE2 GLU A 60 -9.840 -5.509 -3.065 1.00 0.00 O ATOM 0 H GLU A 60 -7.274 -0.295 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.700 -2.603 -2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.827 -2.951 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.621 -1.929 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.537 -3.572 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.169 -4.397 -3.274 1.00 0.00 H new ATOM 862 N ASN A 61 -6.469 -0.976 -4.699 1.00 0.00 N ATOM 863 CA ASN A 61 -6.272 -0.895 -6.136 1.00 0.00 C ATOM 864 C ASN A 61 -4.825 -0.490 -6.426 1.00 0.00 C ATOM 865 O ASN A 61 -4.511 -0.042 -7.528 1.00 0.00 O ATOM 866 CB ASN A 61 -7.191 0.157 -6.760 1.00 0.00 C ATOM 867 CG ASN A 61 -7.041 1.505 -6.052 1.00 0.00 C ATOM 868 OD1 ASN A 61 -6.284 2.369 -6.461 1.00 0.00 O ATOM 869 ND2 ASN A 61 -7.803 1.635 -4.969 1.00 0.00 N ATOM 0 H ASN A 61 -6.802 -0.115 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.500 -1.872 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.955 0.270 -7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.227 -0.177 -6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.775 2.498 -4.426 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.415 0.872 -4.682 1.00 0.00 H new ATOM 876 N TYR A 62 -3.982 -0.663 -5.418 1.00 0.00 N ATOM 877 CA TYR A 62 -2.576 -0.321 -5.551 1.00 0.00 C ATOM 878 C TYR A 62 -1.690 -1.376 -4.887 1.00 0.00 C ATOM 879 O TYR A 62 -0.489 -1.169 -4.722 1.00 0.00 O ATOM 880 CB TYR A 62 -2.396 1.012 -4.822 1.00 0.00 C ATOM 881 CG TYR A 62 -1.982 2.169 -5.734 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.808 2.561 -6.768 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.784 2.820 -5.522 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.419 3.651 -7.626 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.395 3.910 -6.380 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.232 4.271 -7.389 1.00 0.00 C ATOM 887 OH TYR A 62 -0.864 5.300 -8.200 1.00 0.00 O ATOM 0 H TYR A 62 -4.246 -1.036 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.292 -0.264 -6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.331 1.271 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.643 0.890 -4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.745 2.051 -6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.138 2.512 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.055 3.968 -8.439 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.540 4.428 -6.225 1.00 0.00 H new ATOM 0 HH TYR A 62 0.006 5.648 -7.912 1.00 0.00 H new ATOM 897 N VAL A 63 -2.317 -2.486 -4.523 1.00 0.00 N ATOM 898 CA VAL A 63 -1.601 -3.574 -3.881 1.00 0.00 C ATOM 899 C VAL A 63 -1.936 -4.888 -4.589 1.00 0.00 C ATOM 900 O VAL A 63 -2.817 -4.928 -5.446 1.00 0.00 O ATOM 901 CB VAL A 63 -1.922 -3.602 -2.385 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.251 -2.435 -1.658 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.434 -3.597 -2.150 1.00 0.00 C ATOM 0 H VAL A 63 -3.314 -2.654 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.525 -3.425 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.521 -4.528 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.495 -2.479 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.170 -2.501 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.609 -1.493 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.636 -3.617 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.867 -2.695 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.878 -4.475 -2.620 1.00 0.00 H new ATOM 913 N GLU A 64 -1.216 -5.932 -4.203 1.00 0.00 N ATOM 914 CA GLU A 64 -1.426 -7.244 -4.791 1.00 0.00 C ATOM 915 C GLU A 64 -1.028 -8.339 -3.799 1.00 0.00 C ATOM 916 O GLU A 64 0.119 -8.781 -3.785 1.00 0.00 O ATOM 917 CB GLU A 64 -0.655 -7.387 -6.104 1.00 0.00 C ATOM 918 CG GLU A 64 -0.459 -8.860 -6.467 1.00 0.00 C ATOM 919 CD GLU A 64 -0.630 -9.082 -7.971 1.00 0.00 C ATOM 920 OE1 GLU A 64 -1.633 -8.566 -8.510 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.245 -9.762 -8.548 1.00 0.00 O ATOM 0 H GLU A 64 -0.487 -5.895 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.486 -7.354 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.195 -6.880 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.315 -6.898 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.535 -9.185 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.178 -9.471 -5.922 1.00 0.00 H new ATOM 928 N PHE A 65 -1.999 -8.745 -2.994 1.00 0.00 N ATOM 929 CA PHE A 65 -1.764 -9.780 -2.001 1.00 0.00 C ATOM 930 C PHE A 65 -0.910 -10.910 -2.580 1.00 0.00 C ATOM 931 O PHE A 65 -1.209 -11.432 -3.652 1.00 0.00 O ATOM 932 CB PHE A 65 -3.132 -10.341 -1.607 1.00 0.00 C ATOM 933 CG PHE A 65 -3.923 -9.440 -0.657 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.775 -9.574 0.689 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.774 -8.505 -1.157 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.509 -8.738 1.571 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.509 -7.669 -0.275 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.360 -7.803 1.071 1.00 0.00 C ATOM 0 H PHE A 65 -2.950 -8.376 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.234 -9.362 -1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.720 -10.505 -2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.992 -11.314 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.099 -10.317 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.891 -8.398 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.391 -8.845 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.186 -6.927 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.918 -7.167 1.742 1.00 0.00 H new ATOM 948 N LEU A 66 0.136 -11.255 -1.843 1.00 0.00 N ATOM 949 CA LEU A 66 1.035 -12.314 -2.269 1.00 0.00 C ATOM 950 C LEU A 66 0.543 -13.651 -1.711 1.00 0.00 C ATOM 951 O LEU A 66 0.869 -14.014 -0.582 1.00 0.00 O ATOM 952 CB LEU A 66 2.477 -11.980 -1.882 1.00 0.00 C ATOM 953 CG LEU A 66 2.911 -10.528 -2.098 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.526 -9.945 -0.825 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.854 -10.411 -3.297 1.00 0.00 C ATOM 0 H LEU A 66 0.381 -10.820 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 66 1.032 -12.401 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.616 -12.227 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.144 -12.626 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 66 2.025 -9.936 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.826 -8.913 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.792 -9.974 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.399 -10.532 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.147 -9.370 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.742 -11.019 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.346 -10.761 -4.195 1.00 0.00 H new ATOM 967 N SER A 67 -0.235 -14.346 -2.527 1.00 0.00 N ATOM 968 CA SER A 67 -0.776 -15.634 -2.130 1.00 0.00 C ATOM 969 C SER A 67 -0.697 -16.619 -3.298 1.00 0.00 C ATOM 970 O SER A 67 -0.158 -17.715 -3.156 1.00 0.00 O ATOM 971 CB SER A 67 -2.221 -15.500 -1.646 1.00 0.00 C ATOM 972 OG SER A 67 -2.710 -16.712 -1.079 1.00 0.00 O ATOM 0 H SER A 67 -0.504 -14.041 -3.462 1.00 0.00 H new ATOM 0 HA SER A 67 -0.178 -16.014 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.282 -14.703 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.857 -15.208 -2.482 1.00 0.00 H new ATOM 0 HG SER A 67 -3.635 -16.584 -0.781 1.00 0.00 H new ATOM 978 N GLY A 68 -1.243 -16.192 -4.428 1.00 0.00 N ATOM 979 CA GLY A 68 -1.241 -17.022 -5.620 1.00 0.00 C ATOM 980 C GLY A 68 -0.017 -16.727 -6.491 1.00 0.00 C ATOM 981 O GLY A 68 0.278 -15.569 -6.782 1.00 0.00 O ATOM 0 H GLY A 68 -1.690 -15.282 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.244 -18.074 -5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.151 -16.844 -6.193 1.00 0.00 H new ATOM 985 N PRO A 69 0.679 -17.824 -6.893 1.00 0.00 N ATOM 986 CA PRO A 69 1.864 -17.695 -7.724 1.00 0.00 C ATOM 987 C PRO A 69 1.486 -17.364 -9.169 1.00 0.00 C ATOM 988 O PRO A 69 1.506 -18.236 -10.036 1.00 0.00 O ATOM 989 CB PRO A 69 2.586 -19.026 -7.589 1.00 0.00 C ATOM 990 CG PRO A 69 1.552 -20.010 -7.065 1.00 0.00 C ATOM 991 CD PRO A 69 0.359 -19.211 -6.567 1.00 0.00 C ATOM 0 HA PRO A 69 2.509 -16.874 -7.412 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.985 -19.353 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.430 -18.945 -6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.248 -20.700 -7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.972 -20.612 -6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.562 -19.530 -7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.214 -19.342 -5.495 1.00 0.00 H new ATOM 999 N SER A 70 1.150 -16.100 -9.384 1.00 0.00 N ATOM 1000 CA SER A 70 0.768 -15.643 -10.709 1.00 0.00 C ATOM 1001 C SER A 70 1.033 -14.141 -10.841 1.00 0.00 C ATOM 1002 O SER A 70 0.301 -13.327 -10.280 1.00 0.00 O ATOM 1003 CB SER A 70 -0.704 -15.949 -10.995 1.00 0.00 C ATOM 1004 OG SER A 70 -1.579 -15.137 -10.217 1.00 0.00 O ATOM 0 H SER A 70 1.135 -15.379 -8.663 1.00 0.00 H new ATOM 0 HA SER A 70 1.371 -16.178 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.908 -15.790 -12.054 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.903 -17.000 -10.786 1.00 0.00 H new ATOM 0 HG SER A 70 -1.078 -14.383 -9.842 1.00 0.00 H new ATOM 1010 N SER A 71 2.081 -13.821 -11.586 1.00 0.00 N ATOM 1011 CA SER A 71 2.451 -12.432 -11.798 1.00 0.00 C ATOM 1012 C SER A 71 2.014 -11.981 -13.193 1.00 0.00 C ATOM 1013 O SER A 71 2.508 -12.491 -14.197 1.00 0.00 O ATOM 1014 CB SER A 71 3.958 -12.231 -11.623 1.00 0.00 C ATOM 1015 OG SER A 71 4.288 -11.782 -10.312 1.00 0.00 O ATOM 0 H SER A 71 2.685 -14.499 -12.050 1.00 0.00 H new ATOM 0 HA SER A 71 1.941 -11.824 -11.050 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.475 -13.169 -11.826 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.314 -11.506 -12.355 1.00 0.00 H new ATOM 0 HG SER A 71 5.259 -11.667 -10.240 1.00 0.00 H new ATOM 1021 N GLY A 72 1.091 -11.031 -13.211 1.00 0.00 N ATOM 1022 CA GLY A 72 0.581 -10.506 -14.466 1.00 0.00 C ATOM 1023 C GLY A 72 -0.855 -10.971 -14.712 1.00 0.00 C ATOM 1024 O GLY A 72 -1.202 -11.363 -15.825 1.00 0.00 O ATOM 0 H GLY A 72 0.683 -10.611 -12.376 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.616 -9.417 -14.450 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.219 -10.833 -15.287 1.00 0.00 H new TER 1028 GLY A 72