USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 603 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 61 SER OG : rot 159:sc= -0.0524 USER MOD Set 1.2: A 63 GLN : amide:sc= -0.401 K(o=-0.45,f=2.2) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.00391 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00157 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -3:sc= 0.526 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 20 CYS SG : rot -132:sc= -0.258 USER MOD Single : A 22 THR OG1 : rot 170:sc= 1.33 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.9!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.83) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -130:sc= -0.935 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-10!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.094 -22.931 10.992 1.00 0.00 N ATOM 2 CA GLY A 1 -2.820 -22.235 11.056 1.00 0.00 C ATOM 3 C GLY A 1 -1.822 -22.996 11.931 1.00 0.00 C ATOM 4 O GLY A 1 -1.692 -24.213 11.814 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.454 -22.907 10.017 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.965 -23.919 11.289 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.776 -22.465 11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.414 -22.120 10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.969 -21.232 11.456 1.00 0.00 H new ATOM 8 N SER A 2 -1.144 -22.247 12.788 1.00 0.00 N ATOM 9 CA SER A 2 -0.162 -22.836 13.682 1.00 0.00 C ATOM 10 C SER A 2 0.974 -23.463 12.872 1.00 0.00 C ATOM 11 O SER A 2 0.804 -23.770 11.693 1.00 0.00 O ATOM 12 CB SER A 2 -0.805 -23.883 14.594 1.00 0.00 C ATOM 13 OG SER A 2 -0.029 -24.121 15.765 1.00 0.00 O ATOM 0 H SER A 2 -1.255 -21.237 12.882 1.00 0.00 H new ATOM 0 HA SER A 2 0.244 -22.045 14.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.802 -23.550 14.882 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.927 -24.816 14.044 1.00 0.00 H new ATOM 0 HG SER A 2 -0.474 -24.794 16.321 1.00 0.00 H new ATOM 19 N SER A 3 2.107 -23.636 13.537 1.00 0.00 N ATOM 20 CA SER A 3 3.271 -24.221 12.893 1.00 0.00 C ATOM 21 C SER A 3 3.744 -23.321 11.749 1.00 0.00 C ATOM 22 O SER A 3 3.460 -23.592 10.583 1.00 0.00 O ATOM 23 CB SER A 3 2.963 -25.626 12.370 1.00 0.00 C ATOM 24 OG SER A 3 3.575 -26.637 13.166 1.00 0.00 O ATOM 0 H SER A 3 2.244 -23.381 14.515 1.00 0.00 H new ATOM 0 HA SER A 3 4.066 -24.304 13.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.884 -25.779 12.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.311 -25.714 11.341 1.00 0.00 H new ATOM 0 HG SER A 3 3.354 -27.519 12.801 1.00 0.00 H new ATOM 30 N GLY A 4 4.458 -22.270 12.123 1.00 0.00 N ATOM 31 CA GLY A 4 4.973 -21.329 11.143 1.00 0.00 C ATOM 32 C GLY A 4 3.873 -20.887 10.175 1.00 0.00 C ATOM 33 O GLY A 4 2.723 -21.301 10.307 1.00 0.00 O ATOM 0 H GLY A 4 4.692 -22.049 13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.386 -20.458 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.789 -21.789 10.586 1.00 0.00 H new ATOM 37 N SER A 5 4.266 -20.053 9.224 1.00 0.00 N ATOM 38 CA SER A 5 3.328 -19.551 8.234 1.00 0.00 C ATOM 39 C SER A 5 4.088 -18.970 7.040 1.00 0.00 C ATOM 40 O SER A 5 3.913 -19.421 5.909 1.00 0.00 O ATOM 41 CB SER A 5 2.402 -18.494 8.839 1.00 0.00 C ATOM 42 OG SER A 5 3.127 -17.494 9.551 1.00 0.00 O ATOM 0 H SER A 5 5.221 -19.712 9.118 1.00 0.00 H new ATOM 0 HA SER A 5 2.712 -20.383 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.820 -18.024 8.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.693 -18.976 9.512 1.00 0.00 H new ATOM 0 HG SER A 5 2.501 -16.837 9.921 1.00 0.00 H new ATOM 48 N SER A 6 4.916 -17.978 7.332 1.00 0.00 N ATOM 49 CA SER A 6 5.704 -17.331 6.297 1.00 0.00 C ATOM 50 C SER A 6 6.884 -16.588 6.924 1.00 0.00 C ATOM 51 O SER A 6 6.695 -15.724 7.779 1.00 0.00 O ATOM 52 CB SER A 6 4.846 -16.367 5.474 1.00 0.00 C ATOM 53 OG SER A 6 4.924 -16.641 4.078 1.00 0.00 O ATOM 0 H SER A 6 5.058 -17.606 8.271 1.00 0.00 H new ATOM 0 HA SER A 6 6.084 -18.101 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.808 -16.437 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.170 -15.343 5.661 1.00 0.00 H new ATOM 0 HG SER A 6 4.361 -16.006 3.588 1.00 0.00 H new ATOM 59 N GLY A 7 8.077 -16.950 6.476 1.00 0.00 N ATOM 60 CA GLY A 7 9.288 -16.328 6.983 1.00 0.00 C ATOM 61 C GLY A 7 9.417 -14.889 6.481 1.00 0.00 C ATOM 62 O GLY A 7 8.580 -14.043 6.790 1.00 0.00 O ATOM 0 H GLY A 7 8.231 -17.667 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.277 -16.337 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.157 -16.906 6.668 1.00 0.00 H new ATOM 66 N ARG A 8 10.472 -14.655 5.715 1.00 0.00 N ATOM 67 CA ARG A 8 10.721 -13.333 5.167 1.00 0.00 C ATOM 68 C ARG A 8 11.598 -13.433 3.917 1.00 0.00 C ATOM 69 O ARG A 8 12.820 -13.526 4.017 1.00 0.00 O ATOM 70 CB ARG A 8 11.411 -12.432 6.194 1.00 0.00 C ATOM 71 CG ARG A 8 11.139 -10.956 5.898 1.00 0.00 C ATOM 72 CD ARG A 8 10.703 -10.214 7.164 1.00 0.00 C ATOM 73 NE ARG A 8 9.321 -9.710 7.004 1.00 0.00 N ATOM 74 CZ ARG A 8 8.500 -9.431 8.026 1.00 0.00 C ATOM 75 NH1 ARG A 8 8.918 -9.604 9.287 1.00 0.00 N ATOM 76 NH2 ARG A 8 7.262 -8.977 7.787 1.00 0.00 N ATOM 0 H ARG A 8 11.165 -15.359 5.461 1.00 0.00 H new ATOM 0 HA ARG A 8 9.757 -12.896 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.056 -12.677 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.485 -12.617 6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.037 -10.491 5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.363 -10.871 5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.758 -10.881 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.381 -9.384 7.361 1.00 0.00 H new ATOM 0 HE ARG A 8 8.971 -9.566 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.861 -9.948 9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.293 -9.392 10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.944 -8.844 6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.638 -8.765 8.565 1.00 0.00 H new ATOM 90 N MET A 9 10.939 -13.410 2.768 1.00 0.00 N ATOM 91 CA MET A 9 11.642 -13.496 1.499 1.00 0.00 C ATOM 92 C MET A 9 10.927 -12.684 0.418 1.00 0.00 C ATOM 93 O MET A 9 9.711 -12.507 0.473 1.00 0.00 O ATOM 94 CB MET A 9 11.731 -14.960 1.063 1.00 0.00 C ATOM 95 CG MET A 9 13.166 -15.335 0.689 1.00 0.00 C ATOM 96 SD MET A 9 13.724 -16.698 1.698 1.00 0.00 S ATOM 97 CE MET A 9 15.416 -16.822 1.144 1.00 0.00 C ATOM 0 H MET A 9 9.925 -13.333 2.689 1.00 0.00 H new ATOM 0 HA MET A 9 12.643 -13.085 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.381 -15.605 1.869 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.073 -15.130 0.211 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.216 -15.608 -0.365 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.823 -14.476 0.828 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.915 -17.631 1.677 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.434 -17.027 0.074 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.934 -15.883 1.342 1.00 0.00 H new ATOM 107 N PRO A 10 11.733 -12.199 -0.564 1.00 0.00 N ATOM 108 CA PRO A 10 11.189 -11.409 -1.656 1.00 0.00 C ATOM 109 C PRO A 10 10.445 -12.296 -2.656 1.00 0.00 C ATOM 110 O PRO A 10 10.927 -12.526 -3.765 1.00 0.00 O ATOM 111 CB PRO A 10 12.389 -10.702 -2.265 1.00 0.00 C ATOM 112 CG PRO A 10 13.611 -11.475 -1.796 1.00 0.00 C ATOM 113 CD PRO A 10 13.177 -12.388 -0.660 1.00 0.00 C ATOM 0 HA PRO A 10 10.445 -10.686 -1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.326 -10.693 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.436 -9.663 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 10 14.031 -12.058 -2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.390 -10.791 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.427 -13.428 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.674 -12.123 0.273 1.00 0.00 H new ATOM 121 N THR A 11 9.284 -12.770 -2.229 1.00 0.00 N ATOM 122 CA THR A 11 8.469 -13.626 -3.074 1.00 0.00 C ATOM 123 C THR A 11 6.993 -13.500 -2.694 1.00 0.00 C ATOM 124 O THR A 11 6.656 -13.430 -1.513 1.00 0.00 O ATOM 125 CB THR A 11 9.007 -15.054 -2.959 1.00 0.00 C ATOM 126 OG1 THR A 11 10.239 -15.020 -3.675 1.00 0.00 O ATOM 127 CG2 THR A 11 8.156 -16.064 -3.730 1.00 0.00 C ATOM 0 H THR A 11 8.888 -12.578 -1.309 1.00 0.00 H new ATOM 0 HA THR A 11 8.530 -13.324 -4.120 1.00 0.00 H new ATOM 0 HB THR A 11 9.049 -15.342 -1.909 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.361 -14.134 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.581 -17.061 -3.615 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.139 -16.056 -3.339 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.141 -15.796 -4.786 1.00 0.00 H new ATOM 135 N ARG A 12 6.151 -13.476 -3.717 1.00 0.00 N ATOM 136 CA ARG A 12 4.719 -13.360 -3.506 1.00 0.00 C ATOM 137 C ARG A 12 4.347 -11.915 -3.168 1.00 0.00 C ATOM 138 O ARG A 12 5.217 -11.104 -2.851 1.00 0.00 O ATOM 139 CB ARG A 12 4.253 -14.277 -2.373 1.00 0.00 C ATOM 140 CG ARG A 12 3.043 -15.109 -2.803 1.00 0.00 C ATOM 141 CD ARG A 12 2.838 -16.302 -1.867 1.00 0.00 C ATOM 142 NE ARG A 12 3.576 -17.479 -2.377 1.00 0.00 N ATOM 143 CZ ARG A 12 3.242 -18.153 -3.485 1.00 0.00 C ATOM 144 NH1 ARG A 12 2.179 -17.772 -4.207 1.00 0.00 N ATOM 145 NH2 ARG A 12 3.970 -19.209 -3.873 1.00 0.00 N ATOM 0 H ARG A 12 6.434 -13.535 -4.695 1.00 0.00 H new ATOM 0 HA ARG A 12 4.223 -13.660 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.067 -14.939 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.995 -13.679 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.149 -14.485 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.185 -15.463 -3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.185 -16.052 -0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.776 -16.535 -1.788 1.00 0.00 H new ATOM 0 HE ARG A 12 4.390 -17.797 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.624 -16.968 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.925 -18.286 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.779 -19.500 -3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.715 -19.722 -4.717 1.00 0.00 H new ATOM 159 N ARG A 13 3.054 -11.636 -3.246 1.00 0.00 N ATOM 160 CA ARG A 13 2.557 -10.303 -2.952 1.00 0.00 C ATOM 161 C ARG A 13 2.946 -9.892 -1.530 1.00 0.00 C ATOM 162 O ARG A 13 3.435 -10.713 -0.756 1.00 0.00 O ATOM 163 CB ARG A 13 1.035 -10.238 -3.096 1.00 0.00 C ATOM 164 CG ARG A 13 0.608 -10.531 -4.536 1.00 0.00 C ATOM 165 CD ARG A 13 1.325 -9.605 -5.520 1.00 0.00 C ATOM 166 NE ARG A 13 0.374 -9.120 -6.544 1.00 0.00 N ATOM 167 CZ ARG A 13 0.722 -8.367 -7.596 1.00 0.00 C ATOM 168 NH1 ARG A 13 2.001 -8.008 -7.769 1.00 0.00 N ATOM 169 NH2 ARG A 13 -0.209 -7.973 -8.476 1.00 0.00 N ATOM 0 H ARG A 13 2.336 -12.311 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 13 3.008 -9.616 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.571 -10.958 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.680 -9.250 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.830 -11.570 -4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.470 -10.405 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.759 -8.760 -4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.148 -10.136 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.608 -9.375 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.710 -8.308 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.266 -7.435 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.183 -8.246 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.056 -7.400 -9.277 1.00 0.00 H new ATOM 183 N TRP A 14 2.714 -8.623 -1.231 1.00 0.00 N ATOM 184 CA TRP A 14 3.034 -8.094 0.084 1.00 0.00 C ATOM 185 C TRP A 14 1.953 -8.565 1.059 1.00 0.00 C ATOM 186 O TRP A 14 0.815 -8.809 0.660 1.00 0.00 O ATOM 187 CB TRP A 14 3.178 -6.571 0.043 1.00 0.00 C ATOM 188 CG TRP A 14 4.368 -6.081 -0.784 1.00 0.00 C ATOM 189 CD1 TRP A 14 5.645 -6.482 -0.710 1.00 0.00 C ATOM 190 CD2 TRP A 14 4.340 -5.076 -1.820 1.00 0.00 C ATOM 191 NE1 TRP A 14 6.439 -5.811 -1.619 1.00 0.00 N ATOM 192 CE2 TRP A 14 5.620 -4.929 -2.314 1.00 0.00 C ATOM 193 CE3 TRP A 14 3.269 -4.316 -2.321 1.00 0.00 C ATOM 194 CZ2 TRP A 14 5.949 -4.030 -3.336 1.00 0.00 C ATOM 195 CZ3 TRP A 14 3.614 -3.422 -3.342 1.00 0.00 C ATOM 196 CH2 TRP A 14 4.898 -3.262 -3.851 1.00 0.00 C ATOM 0 H TRP A 14 2.308 -7.945 -1.876 1.00 0.00 H new ATOM 0 HA TRP A 14 3.999 -8.469 0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.263 -6.141 -0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.279 -6.198 1.062 1.00 0.00 H new ATOM 0 HD1 TRP A 14 6.007 -7.235 -0.026 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.442 -5.939 -1.755 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.260 -4.414 -1.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.959 -3.934 -3.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.827 -2.814 -3.764 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.084 -2.548 -4.640 1.00 0.00 H new ATOM 207 N ALA A 15 2.347 -8.680 2.319 1.00 0.00 N ATOM 208 CA ALA A 15 1.426 -9.118 3.354 1.00 0.00 C ATOM 209 C ALA A 15 1.013 -7.916 4.205 1.00 0.00 C ATOM 210 O ALA A 15 1.588 -6.836 4.081 1.00 0.00 O ATOM 211 CB ALA A 15 2.081 -10.223 4.186 1.00 0.00 C ATOM 0 H ALA A 15 3.292 -8.477 2.646 1.00 0.00 H new ATOM 0 HA ALA A 15 0.522 -9.535 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.390 -10.552 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.329 -11.066 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.991 -9.840 4.648 1.00 0.00 H new ATOM 217 N PRO A 16 -0.007 -8.150 5.074 1.00 0.00 N ATOM 218 CA PRO A 16 -0.504 -7.099 5.945 1.00 0.00 C ATOM 219 C PRO A 16 0.465 -6.840 7.100 1.00 0.00 C ATOM 220 O PRO A 16 0.657 -7.699 7.959 1.00 0.00 O ATOM 221 CB PRO A 16 -1.867 -7.586 6.411 1.00 0.00 C ATOM 222 CG PRO A 16 -1.882 -9.085 6.160 1.00 0.00 C ATOM 223 CD PRO A 16 -0.712 -9.417 5.248 1.00 0.00 C ATOM 0 HA PRO A 16 -0.591 -6.138 5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.020 -7.365 7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.668 -7.090 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.800 -9.630 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.823 -9.385 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.065 -10.173 5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.055 -9.814 4.293 1.00 0.00 H new ATOM 231 N GLY A 17 1.051 -5.651 7.083 1.00 0.00 N ATOM 232 CA GLY A 17 1.996 -5.268 8.119 1.00 0.00 C ATOM 233 C GLY A 17 3.328 -4.828 7.509 1.00 0.00 C ATOM 234 O GLY A 17 4.215 -4.358 8.220 1.00 0.00 O ATOM 0 H GLY A 17 0.890 -4.941 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.579 -4.456 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.161 -6.107 8.795 1.00 0.00 H new ATOM 238 N THR A 18 3.427 -4.995 6.198 1.00 0.00 N ATOM 239 CA THR A 18 4.636 -4.620 5.485 1.00 0.00 C ATOM 240 C THR A 18 4.594 -3.138 5.107 1.00 0.00 C ATOM 241 O THR A 18 3.530 -2.599 4.810 1.00 0.00 O ATOM 242 CB THR A 18 4.781 -5.550 4.279 1.00 0.00 C ATOM 243 OG1 THR A 18 5.114 -6.812 4.852 1.00 0.00 O ATOM 244 CG2 THR A 18 5.993 -5.202 3.413 1.00 0.00 C ATOM 0 H THR A 18 2.689 -5.385 5.611 1.00 0.00 H new ATOM 0 HA THR A 18 5.519 -4.738 6.113 1.00 0.00 H new ATOM 0 HB THR A 18 3.877 -5.501 3.673 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.225 -7.476 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.049 -5.892 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.893 -4.183 3.040 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.902 -5.283 4.010 1.00 0.00 H new ATOM 252 N GLN A 19 5.767 -2.521 5.132 1.00 0.00 N ATOM 253 CA GLN A 19 5.878 -1.112 4.796 1.00 0.00 C ATOM 254 C GLN A 19 6.150 -0.943 3.300 1.00 0.00 C ATOM 255 O GLN A 19 7.166 -1.416 2.792 1.00 0.00 O ATOM 256 CB GLN A 19 6.966 -0.433 5.631 1.00 0.00 C ATOM 257 CG GLN A 19 6.516 -0.263 7.083 1.00 0.00 C ATOM 258 CD GLN A 19 7.639 0.325 7.940 1.00 0.00 C ATOM 259 OE1 GLN A 19 8.803 0.318 7.573 1.00 0.00 O ATOM 260 NE2 GLN A 19 7.227 0.831 9.098 1.00 0.00 N ATOM 0 H GLN A 19 6.648 -2.971 5.380 1.00 0.00 H new ATOM 0 HA GLN A 19 4.930 -0.627 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.879 -1.027 5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.203 0.541 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.644 0.389 7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.211 -1.228 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.237 0.804 9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.901 1.246 9.742 1.00 0.00 H new ATOM 269 N CYS A 20 5.225 -0.266 2.635 1.00 0.00 N ATOM 270 CA CYS A 20 5.352 -0.029 1.207 1.00 0.00 C ATOM 271 C CYS A 20 5.546 1.472 0.985 1.00 0.00 C ATOM 272 O CYS A 20 5.008 2.289 1.732 1.00 0.00 O ATOM 273 CB CYS A 20 4.147 -0.569 0.435 1.00 0.00 C ATOM 274 SG CYS A 20 4.037 -2.385 0.636 1.00 0.00 S ATOM 0 H CYS A 20 4.384 0.126 3.059 1.00 0.00 H new ATOM 0 HA CYS A 20 6.218 -0.567 0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.233 -0.099 0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.239 -0.317 -0.621 1.00 0.00 H new ATOM 0 HG CYS A 20 3.860 -2.940 -0.526 1.00 0.00 H new ATOM 280 N ILE A 21 6.317 1.791 -0.044 1.00 0.00 N ATOM 281 CA ILE A 21 6.589 3.180 -0.374 1.00 0.00 C ATOM 282 C ILE A 21 5.936 3.518 -1.715 1.00 0.00 C ATOM 283 O ILE A 21 5.691 2.631 -2.532 1.00 0.00 O ATOM 284 CB ILE A 21 8.093 3.455 -0.335 1.00 0.00 C ATOM 285 CG1 ILE A 21 8.747 2.761 0.862 1.00 0.00 C ATOM 286 CG2 ILE A 21 8.376 4.959 -0.350 1.00 0.00 C ATOM 287 CD1 ILE A 21 7.968 3.038 2.149 1.00 0.00 C ATOM 0 H ILE A 21 6.762 1.111 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 21 6.148 3.842 0.371 1.00 0.00 H new ATOM 0 HB ILE A 21 8.540 3.034 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.792 1.687 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.774 3.109 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.453 5.127 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.964 5.398 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.913 5.425 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.454 2.533 2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.946 4.111 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.949 2.667 2.044 1.00 0.00 H new ATOM 299 N THR A 22 5.673 4.803 -1.902 1.00 0.00 N ATOM 300 CA THR A 22 5.054 5.270 -3.130 1.00 0.00 C ATOM 301 C THR A 22 6.123 5.625 -4.165 1.00 0.00 C ATOM 302 O THR A 22 7.232 6.018 -3.807 1.00 0.00 O ATOM 303 CB THR A 22 4.133 6.441 -2.781 1.00 0.00 C ATOM 304 OG1 THR A 22 4.937 7.280 -1.955 1.00 0.00 O ATOM 305 CG2 THR A 22 2.974 6.025 -1.873 1.00 0.00 C ATOM 0 H THR A 22 5.878 5.536 -1.223 1.00 0.00 H new ATOM 0 HA THR A 22 4.449 4.488 -3.589 1.00 0.00 H new ATOM 0 HB THR A 22 3.737 6.877 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.480 8.136 -1.815 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.352 6.893 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.374 5.265 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.369 5.620 -0.941 1.00 0.00 H new ATOM 313 N LYS A 23 5.752 5.474 -5.428 1.00 0.00 N ATOM 314 CA LYS A 23 6.665 5.775 -6.518 1.00 0.00 C ATOM 315 C LYS A 23 6.381 7.183 -7.043 1.00 0.00 C ATOM 316 O LYS A 23 7.154 7.723 -7.833 1.00 0.00 O ATOM 317 CB LYS A 23 6.590 4.690 -7.594 1.00 0.00 C ATOM 318 CG LYS A 23 6.904 3.312 -7.007 1.00 0.00 C ATOM 319 CD LYS A 23 5.980 2.243 -7.595 1.00 0.00 C ATOM 320 CE LYS A 23 6.360 1.926 -9.042 1.00 0.00 C ATOM 321 NZ LYS A 23 7.208 0.714 -9.102 1.00 0.00 N ATOM 0 H LYS A 23 4.831 5.147 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 23 7.696 5.770 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.595 4.682 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.294 4.917 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.943 3.053 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.791 3.340 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.038 1.336 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.947 2.588 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.459 1.776 -9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.892 2.771 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.457 0.513 -10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.076 0.870 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.687 -0.094 -8.705 1.00 0.00 H new ATOM 335 N CYS A 24 5.270 7.739 -6.582 1.00 0.00 N ATOM 336 CA CYS A 24 4.873 9.074 -6.996 1.00 0.00 C ATOM 337 C CYS A 24 4.048 9.700 -5.870 1.00 0.00 C ATOM 338 O CYS A 24 3.663 9.016 -4.923 1.00 0.00 O ATOM 339 CB CYS A 24 4.109 9.052 -8.321 1.00 0.00 C ATOM 340 SG CYS A 24 2.993 7.603 -8.376 1.00 0.00 S ATOM 0 H CYS A 24 4.632 7.289 -5.926 1.00 0.00 H new ATOM 0 HA CYS A 24 5.760 9.681 -7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.532 9.970 -8.433 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.811 9.013 -9.154 1.00 0.00 H new ATOM 0 HG CYS A 24 2.347 7.595 -9.504 1.00 0.00 H new ATOM 346 N GLU A 25 3.799 10.994 -6.011 1.00 0.00 N ATOM 347 CA GLU A 25 3.026 11.720 -5.018 1.00 0.00 C ATOM 348 C GLU A 25 1.582 11.897 -5.495 1.00 0.00 C ATOM 349 O GLU A 25 1.339 12.125 -6.679 1.00 0.00 O ATOM 350 CB GLU A 25 3.669 13.072 -4.704 1.00 0.00 C ATOM 351 CG GLU A 25 3.657 13.984 -5.933 1.00 0.00 C ATOM 352 CD GLU A 25 5.081 14.334 -6.369 1.00 0.00 C ATOM 353 OE1 GLU A 25 5.857 13.380 -6.594 1.00 0.00 O ATOM 354 OE2 GLU A 25 5.361 15.548 -6.468 1.00 0.00 O ATOM 0 H GLU A 25 4.119 11.558 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 25 3.015 11.137 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.133 13.552 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.695 12.922 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.133 13.490 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.107 14.898 -5.707 1.00 0.00 H new ATOM 361 N HIS A 26 0.663 11.784 -4.548 1.00 0.00 N ATOM 362 CA HIS A 26 -0.750 11.929 -4.856 1.00 0.00 C ATOM 363 C HIS A 26 -1.380 12.952 -3.909 1.00 0.00 C ATOM 364 O HIS A 26 -1.599 12.664 -2.734 1.00 0.00 O ATOM 365 CB HIS A 26 -1.456 10.572 -4.817 1.00 0.00 C ATOM 366 CG HIS A 26 -2.486 10.384 -5.905 1.00 0.00 C ATOM 367 ND1 HIS A 26 -2.327 10.890 -7.183 1.00 0.00 N ATOM 368 CD2 HIS A 26 -3.689 9.740 -5.892 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.393 10.561 -7.899 1.00 0.00 C ATOM 370 NE2 HIS A 26 -4.235 9.849 -7.097 1.00 0.00 N ATOM 0 H HIS A 26 0.869 11.594 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.867 12.306 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.709 9.783 -4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.941 10.454 -3.848 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.123 9.229 -5.045 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.564 10.813 -8.935 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.137 9.463 -7.377 1.00 0.00 H new ATOM 378 N THR A 27 -1.653 14.127 -4.457 1.00 0.00 N ATOM 379 CA THR A 27 -2.253 15.195 -3.675 1.00 0.00 C ATOM 380 C THR A 27 -3.779 15.135 -3.774 1.00 0.00 C ATOM 381 O THR A 27 -4.477 15.324 -2.778 1.00 0.00 O ATOM 382 CB THR A 27 -1.665 16.523 -4.159 1.00 0.00 C ATOM 383 OG1 THR A 27 -1.844 16.488 -5.572 1.00 0.00 O ATOM 384 CG2 THR A 27 -0.147 16.591 -3.977 1.00 0.00 C ATOM 0 H THR A 27 -1.470 14.363 -5.432 1.00 0.00 H new ATOM 0 HA THR A 27 -2.022 15.087 -2.615 1.00 0.00 H new ATOM 0 HB THR A 27 -2.133 17.346 -3.619 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.492 17.313 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.220 17.553 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.098 16.480 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.324 15.788 -4.545 1.00 0.00 H new ATOM 392 N ARG A 28 -4.252 14.872 -4.983 1.00 0.00 N ATOM 393 CA ARG A 28 -5.682 14.785 -5.224 1.00 0.00 C ATOM 394 C ARG A 28 -6.047 13.398 -5.759 1.00 0.00 C ATOM 395 O ARG A 28 -6.025 13.170 -6.967 1.00 0.00 O ATOM 396 CB ARG A 28 -6.137 15.847 -6.227 1.00 0.00 C ATOM 397 CG ARG A 28 -6.333 17.200 -5.542 1.00 0.00 C ATOM 398 CD ARG A 28 -7.786 17.667 -5.654 1.00 0.00 C ATOM 399 NE ARG A 28 -8.029 18.246 -6.995 1.00 0.00 N ATOM 400 CZ ARG A 28 -9.104 18.981 -7.312 1.00 0.00 C ATOM 401 NH1 ARG A 28 -10.041 19.231 -6.388 1.00 0.00 N ATOM 402 NH2 ARG A 28 -9.241 19.465 -8.554 1.00 0.00 N ATOM 0 H ARG A 28 -3.670 14.716 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.189 14.957 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.397 15.942 -7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.070 15.534 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.052 17.124 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.674 17.940 -5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.461 16.828 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.999 18.409 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.335 18.075 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.936 18.862 -5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.859 19.790 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.527 19.274 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.059 20.024 -8.796 1.00 0.00 H new ATOM 416 N PRO A 29 -6.383 12.486 -4.808 1.00 0.00 N ATOM 417 CA PRO A 29 -6.751 11.128 -5.171 1.00 0.00 C ATOM 418 C PRO A 29 -8.162 11.082 -5.762 1.00 0.00 C ATOM 419 O PRO A 29 -8.869 12.089 -5.769 1.00 0.00 O ATOM 420 CB PRO A 29 -6.620 10.327 -3.886 1.00 0.00 C ATOM 421 CG PRO A 29 -6.634 11.345 -2.758 1.00 0.00 C ATOM 422 CD PRO A 29 -6.420 12.721 -3.368 1.00 0.00 C ATOM 0 HA PRO A 29 -6.111 10.713 -5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.441 9.618 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.696 9.748 -3.879 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.583 11.308 -2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.850 11.123 -2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.226 13.403 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.491 13.170 -3.016 1.00 0.00 H new ATOM 430 N LYS A 30 -8.529 9.904 -6.244 1.00 0.00 N ATOM 431 CA LYS A 30 -9.842 9.714 -6.836 1.00 0.00 C ATOM 432 C LYS A 30 -10.916 9.945 -5.770 1.00 0.00 C ATOM 433 O LYS A 30 -10.599 10.132 -4.596 1.00 0.00 O ATOM 434 CB LYS A 30 -9.932 8.345 -7.513 1.00 0.00 C ATOM 435 CG LYS A 30 -10.021 8.489 -9.033 1.00 0.00 C ATOM 436 CD LYS A 30 -10.238 7.130 -9.702 1.00 0.00 C ATOM 437 CE LYS A 30 -10.761 7.299 -11.130 1.00 0.00 C ATOM 438 NZ LYS A 30 -12.108 6.700 -11.263 1.00 0.00 N ATOM 0 H LYS A 30 -7.940 9.071 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.013 10.446 -7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.058 7.748 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.806 7.809 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.840 9.160 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.106 8.943 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.300 6.575 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.947 6.542 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.800 8.358 -11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.075 6.826 -11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.448 6.823 -12.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.061 5.686 -11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.763 7.170 -10.606 1.00 0.00 H new ATOM 452 N PRO A 31 -12.196 9.923 -6.229 1.00 0.00 N ATOM 453 CA PRO A 31 -13.317 10.128 -5.328 1.00 0.00 C ATOM 454 C PRO A 31 -13.567 8.885 -4.472 1.00 0.00 C ATOM 455 O PRO A 31 -14.263 7.964 -4.896 1.00 0.00 O ATOM 456 CB PRO A 31 -14.490 10.472 -6.232 1.00 0.00 C ATOM 457 CG PRO A 31 -14.100 9.994 -7.621 1.00 0.00 C ATOM 458 CD PRO A 31 -12.608 9.704 -7.613 1.00 0.00 C ATOM 0 HA PRO A 31 -13.138 10.927 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.402 9.981 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.684 11.545 -6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.661 9.099 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -14.337 10.753 -8.366 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.401 8.682 -7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.072 10.364 -8.295 1.00 0.00 H new ATOM 466 N GLY A 32 -12.984 8.898 -3.282 1.00 0.00 N ATOM 467 CA GLY A 32 -13.135 7.783 -2.362 1.00 0.00 C ATOM 468 C GLY A 32 -11.789 7.105 -2.098 1.00 0.00 C ATOM 469 O GLY A 32 -11.742 5.992 -1.577 1.00 0.00 O ATOM 0 H GLY A 32 -12.406 9.663 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.559 8.137 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.837 7.058 -2.775 1.00 0.00 H new ATOM 473 N GLU A 33 -10.727 7.805 -2.470 1.00 0.00 N ATOM 474 CA GLU A 33 -9.383 7.284 -2.280 1.00 0.00 C ATOM 475 C GLU A 33 -8.623 8.137 -1.262 1.00 0.00 C ATOM 476 O GLU A 33 -9.111 9.182 -0.835 1.00 0.00 O ATOM 477 CB GLU A 33 -8.629 7.215 -3.609 1.00 0.00 C ATOM 478 CG GLU A 33 -9.027 5.968 -4.401 1.00 0.00 C ATOM 479 CD GLU A 33 -8.382 5.970 -5.788 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.214 6.409 -5.870 1.00 0.00 O ATOM 481 OE2 GLU A 33 -9.070 5.533 -6.735 1.00 0.00 O ATOM 0 H GLU A 33 -10.770 8.728 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.459 6.269 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.841 8.107 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.555 7.204 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.723 5.074 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.112 5.927 -4.501 1.00 0.00 H new ATOM 488 N LEU A 34 -7.441 7.658 -0.902 1.00 0.00 N ATOM 489 CA LEU A 34 -6.609 8.363 0.058 1.00 0.00 C ATOM 490 C LEU A 34 -5.536 9.157 -0.690 1.00 0.00 C ATOM 491 O LEU A 34 -5.239 8.868 -1.848 1.00 0.00 O ATOM 492 CB LEU A 34 -6.044 7.389 1.094 1.00 0.00 C ATOM 493 CG LEU A 34 -4.695 7.771 1.708 1.00 0.00 C ATOM 494 CD1 LEU A 34 -4.868 8.843 2.786 1.00 0.00 C ATOM 495 CD2 LEU A 34 -3.965 6.536 2.239 1.00 0.00 C ATOM 0 H LEU A 34 -7.040 6.790 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.203 9.082 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.771 7.284 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.944 6.410 0.626 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.072 8.201 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.895 9.097 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.316 9.733 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.517 8.464 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.010 6.835 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.574 6.055 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.791 5.837 1.421 1.00 0.00 H new ATOM 507 N ALA A 35 -4.983 10.141 0.003 1.00 0.00 N ATOM 508 CA ALA A 35 -3.949 10.979 -0.581 1.00 0.00 C ATOM 509 C ALA A 35 -2.616 10.695 0.114 1.00 0.00 C ATOM 510 O ALA A 35 -2.587 10.372 1.301 1.00 0.00 O ATOM 511 CB ALA A 35 -4.361 12.448 -0.474 1.00 0.00 C ATOM 0 H ALA A 35 -5.231 10.377 0.964 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.824 10.752 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.585 13.076 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.298 12.603 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.493 12.713 0.575 1.00 0.00 H new ATOM 517 N PHE A 36 -1.545 10.827 -0.654 1.00 0.00 N ATOM 518 CA PHE A 36 -0.212 10.590 -0.127 1.00 0.00 C ATOM 519 C PHE A 36 0.845 11.325 -0.954 1.00 0.00 C ATOM 520 O PHE A 36 0.554 11.813 -2.045 1.00 0.00 O ATOM 521 CB PHE A 36 0.043 9.084 -0.218 1.00 0.00 C ATOM 522 CG PHE A 36 -0.278 8.480 -1.587 1.00 0.00 C ATOM 523 CD1 PHE A 36 0.676 8.448 -2.556 1.00 0.00 C ATOM 524 CD2 PHE A 36 -1.516 7.976 -1.834 1.00 0.00 C ATOM 525 CE1 PHE A 36 0.378 7.888 -3.826 1.00 0.00 C ATOM 526 CE2 PHE A 36 -1.814 7.416 -3.105 1.00 0.00 C ATOM 527 CZ PHE A 36 -0.861 7.384 -4.074 1.00 0.00 C ATOM 0 H PHE A 36 -1.573 11.095 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.148 10.953 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.089 8.888 0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.555 8.578 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.660 8.848 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.273 8.001 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.135 7.862 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.798 7.016 -3.302 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.088 6.959 -5.040 1.00 0.00 H new ATOM 537 N ARG A 37 2.048 11.381 -0.403 1.00 0.00 N ATOM 538 CA ARG A 37 3.149 12.049 -1.076 1.00 0.00 C ATOM 539 C ARG A 37 4.187 11.025 -1.539 1.00 0.00 C ATOM 540 O ARG A 37 4.053 9.833 -1.267 1.00 0.00 O ATOM 541 CB ARG A 37 3.823 13.067 -0.154 1.00 0.00 C ATOM 542 CG ARG A 37 2.933 14.294 0.051 1.00 0.00 C ATOM 543 CD ARG A 37 2.845 15.128 -1.229 1.00 0.00 C ATOM 544 NE ARG A 37 3.314 16.508 -0.967 1.00 0.00 N ATOM 545 CZ ARG A 37 3.375 17.469 -1.898 1.00 0.00 C ATOM 546 NH1 ARG A 37 2.998 17.208 -3.157 1.00 0.00 N ATOM 547 NH2 ARG A 37 3.813 18.692 -1.570 1.00 0.00 N ATOM 0 H ARG A 37 2.285 10.975 0.502 1.00 0.00 H new ATOM 0 HA ARG A 37 2.740 12.574 -1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.038 12.604 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.778 13.373 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.934 13.977 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.331 14.905 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.450 14.672 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.817 15.147 -1.591 1.00 0.00 H new ATOM 0 HE ARG A 37 3.609 16.741 -0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.664 16.277 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.045 17.940 -3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.100 18.891 -0.612 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.860 19.424 -2.279 1.00 0.00 H new ATOM 561 N LYS A 38 5.199 11.527 -2.232 1.00 0.00 N ATOM 562 CA LYS A 38 6.259 10.671 -2.736 1.00 0.00 C ATOM 563 C LYS A 38 7.148 10.229 -1.571 1.00 0.00 C ATOM 564 O LYS A 38 7.511 11.039 -0.720 1.00 0.00 O ATOM 565 CB LYS A 38 7.024 11.371 -3.861 1.00 0.00 C ATOM 566 CG LYS A 38 7.978 10.401 -4.561 1.00 0.00 C ATOM 567 CD LYS A 38 9.150 11.149 -5.199 1.00 0.00 C ATOM 568 CE LYS A 38 9.653 10.419 -6.446 1.00 0.00 C ATOM 569 NZ LYS A 38 11.084 10.715 -6.678 1.00 0.00 N ATOM 0 H LYS A 38 5.307 12.516 -2.456 1.00 0.00 H new ATOM 0 HA LYS A 38 5.841 9.768 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.319 11.780 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.587 12.211 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.355 9.673 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.438 9.843 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.839 12.159 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.961 11.245 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.512 9.345 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.067 10.723 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.409 10.212 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.209 11.739 -6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.641 10.403 -5.857 1.00 0.00 H new ATOM 583 N GLY A 39 7.473 8.944 -1.571 1.00 0.00 N ATOM 584 CA GLY A 39 8.312 8.384 -0.526 1.00 0.00 C ATOM 585 C GLY A 39 7.582 8.379 0.819 1.00 0.00 C ATOM 586 O GLY A 39 8.134 8.809 1.831 1.00 0.00 O ATOM 0 H GLY A 39 7.170 8.275 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.600 7.367 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.231 8.964 -0.443 1.00 0.00 H new ATOM 590 N ASP A 40 6.352 7.887 0.787 1.00 0.00 N ATOM 591 CA ASP A 40 5.541 7.820 1.990 1.00 0.00 C ATOM 592 C ASP A 40 5.508 6.377 2.498 1.00 0.00 C ATOM 593 O ASP A 40 5.486 5.437 1.706 1.00 0.00 O ATOM 594 CB ASP A 40 4.101 8.255 1.709 1.00 0.00 C ATOM 595 CG ASP A 40 3.643 9.504 2.465 1.00 0.00 C ATOM 596 OD1 ASP A 40 3.804 9.507 3.705 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.143 10.426 1.786 1.00 0.00 O ATOM 0 H ASP A 40 5.898 7.531 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 40 5.981 8.487 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.995 8.437 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.433 7.431 1.960 1.00 0.00 H new ATOM 602 N VAL A 41 5.507 6.248 3.817 1.00 0.00 N ATOM 603 CA VAL A 41 5.478 4.936 4.440 1.00 0.00 C ATOM 604 C VAL A 41 4.038 4.590 4.824 1.00 0.00 C ATOM 605 O VAL A 41 3.324 5.422 5.382 1.00 0.00 O ATOM 606 CB VAL A 41 6.439 4.900 5.630 1.00 0.00 C ATOM 607 CG1 VAL A 41 6.269 3.610 6.434 1.00 0.00 C ATOM 608 CG2 VAL A 41 7.888 5.073 5.171 1.00 0.00 C ATOM 0 H VAL A 41 5.526 7.031 4.471 1.00 0.00 H new ATOM 0 HA VAL A 41 5.820 4.174 3.740 1.00 0.00 H new ATOM 0 HB VAL A 41 6.193 5.737 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.964 3.610 7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.247 3.547 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.474 2.752 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.550 5.044 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.151 4.267 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.997 6.031 4.663 1.00 0.00 H new ATOM 618 N VAL A 42 3.655 3.362 4.511 1.00 0.00 N ATOM 619 CA VAL A 42 2.312 2.896 4.816 1.00 0.00 C ATOM 620 C VAL A 42 2.358 1.402 5.144 1.00 0.00 C ATOM 621 O VAL A 42 3.194 0.672 4.614 1.00 0.00 O ATOM 622 CB VAL A 42 1.368 3.225 3.658 1.00 0.00 C ATOM 623 CG1 VAL A 42 1.174 4.737 3.522 1.00 0.00 C ATOM 624 CG2 VAL A 42 1.874 2.617 2.348 1.00 0.00 C ATOM 0 H VAL A 42 4.250 2.675 4.049 1.00 0.00 H new ATOM 0 HA VAL A 42 1.919 3.410 5.693 1.00 0.00 H new ATOM 0 HB VAL A 42 0.398 2.781 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.499 4.944 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.748 5.134 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.137 5.212 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.185 2.866 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.861 3.018 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.937 1.534 2.450 1.00 0.00 H new ATOM 634 N THR A 43 1.448 0.992 6.016 1.00 0.00 N ATOM 635 CA THR A 43 1.374 -0.401 6.420 1.00 0.00 C ATOM 636 C THR A 43 0.194 -1.094 5.735 1.00 0.00 C ATOM 637 O THR A 43 -0.921 -0.574 5.736 1.00 0.00 O ATOM 638 CB THR A 43 1.302 -0.447 7.948 1.00 0.00 C ATOM 639 OG1 THR A 43 2.601 -0.042 8.369 1.00 0.00 O ATOM 640 CG2 THR A 43 1.163 -1.872 8.486 1.00 0.00 C ATOM 0 H THR A 43 0.756 1.600 6.454 1.00 0.00 H new ATOM 0 HA THR A 43 2.261 -0.951 6.105 1.00 0.00 H new ATOM 0 HB THR A 43 0.458 0.153 8.289 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.642 -0.042 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.116 -1.847 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.251 -2.322 8.094 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.023 -2.464 8.173 1.00 0.00 H new ATOM 648 N ILE A 44 0.480 -2.256 5.167 1.00 0.00 N ATOM 649 CA ILE A 44 -0.543 -3.024 4.479 1.00 0.00 C ATOM 650 C ILE A 44 -1.624 -3.437 5.481 1.00 0.00 C ATOM 651 O ILE A 44 -1.437 -4.380 6.248 1.00 0.00 O ATOM 652 CB ILE A 44 0.083 -4.203 3.731 1.00 0.00 C ATOM 653 CG1 ILE A 44 1.188 -3.727 2.786 1.00 0.00 C ATOM 654 CG2 ILE A 44 -0.985 -5.019 3.001 1.00 0.00 C ATOM 655 CD1 ILE A 44 0.600 -2.971 1.592 1.00 0.00 C ATOM 0 H ILE A 44 1.406 -2.684 5.169 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.028 -2.414 3.717 1.00 0.00 H new ATOM 0 HB ILE A 44 0.548 -4.864 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.880 -3.080 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.763 -4.583 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.513 -5.851 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.704 -5.406 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.500 -4.383 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.406 -2.643 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.072 -3.628 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.047 -2.102 1.948 1.00 0.00 H new ATOM 667 N LEU A 45 -2.731 -2.709 5.441 1.00 0.00 N ATOM 668 CA LEU A 45 -3.841 -2.988 6.336 1.00 0.00 C ATOM 669 C LEU A 45 -4.473 -4.328 5.956 1.00 0.00 C ATOM 670 O LEU A 45 -4.433 -5.280 6.734 1.00 0.00 O ATOM 671 CB LEU A 45 -4.831 -1.821 6.340 1.00 0.00 C ATOM 672 CG LEU A 45 -4.335 -0.523 6.981 1.00 0.00 C ATOM 673 CD1 LEU A 45 -5.286 0.637 6.676 1.00 0.00 C ATOM 674 CD2 LEU A 45 -4.114 -0.703 8.484 1.00 0.00 C ATOM 0 H LEU A 45 -2.883 -1.927 4.803 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.488 -3.082 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.116 -1.608 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.734 -2.138 6.861 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.369 -0.272 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.911 1.548 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.349 0.782 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.276 0.409 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.762 0.234 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.053 -0.990 8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.370 -1.482 8.652 1.00 0.00 H new ATOM 686 N GLU A 46 -5.042 -4.360 4.760 1.00 0.00 N ATOM 687 CA GLU A 46 -5.681 -5.569 4.267 1.00 0.00 C ATOM 688 C GLU A 46 -5.545 -5.659 2.746 1.00 0.00 C ATOM 689 O GLU A 46 -5.303 -4.654 2.080 1.00 0.00 O ATOM 690 CB GLU A 46 -7.151 -5.623 4.690 1.00 0.00 C ATOM 691 CG GLU A 46 -7.518 -7.011 5.219 1.00 0.00 C ATOM 692 CD GLU A 46 -8.632 -6.922 6.264 1.00 0.00 C ATOM 693 OE1 GLU A 46 -8.560 -5.988 7.092 1.00 0.00 O ATOM 694 OE2 GLU A 46 -9.530 -7.791 6.212 1.00 0.00 O ATOM 0 H GLU A 46 -5.074 -3.568 4.118 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.177 -6.429 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.339 -4.875 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.787 -5.374 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.839 -7.646 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.638 -7.481 5.659 1.00 0.00 H new ATOM 701 N ALA A 47 -5.705 -6.874 2.241 1.00 0.00 N ATOM 702 CA ALA A 47 -5.603 -7.109 0.811 1.00 0.00 C ATOM 703 C ALA A 47 -6.972 -7.524 0.267 1.00 0.00 C ATOM 704 O ALA A 47 -7.664 -8.339 0.875 1.00 0.00 O ATOM 705 CB ALA A 47 -4.525 -8.161 0.542 1.00 0.00 C ATOM 0 H ALA A 47 -5.904 -7.706 2.797 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.305 -6.197 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.448 -8.337 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.567 -7.805 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.791 -9.091 1.045 1.00 0.00 H new ATOM 711 N CYS A 48 -7.321 -6.943 -0.872 1.00 0.00 N ATOM 712 CA CYS A 48 -8.595 -7.242 -1.504 1.00 0.00 C ATOM 713 C CYS A 48 -8.320 -8.018 -2.794 1.00 0.00 C ATOM 714 O CYS A 48 -7.237 -7.912 -3.367 1.00 0.00 O ATOM 715 CB CYS A 48 -9.410 -5.974 -1.763 1.00 0.00 C ATOM 716 SG CYS A 48 -11.031 -6.088 -0.921 1.00 0.00 S ATOM 0 H CYS A 48 -6.744 -6.267 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 48 -9.201 -7.853 -0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.865 -5.102 -1.403 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.556 -5.839 -2.835 1.00 0.00 H new ATOM 0 HG CYS A 48 -11.714 -5.005 -1.146 1.00 0.00 H new ATOM 722 N GLU A 49 -9.320 -8.779 -3.213 1.00 0.00 N ATOM 723 CA GLU A 49 -9.200 -9.572 -4.425 1.00 0.00 C ATOM 724 C GLU A 49 -9.220 -8.665 -5.657 1.00 0.00 C ATOM 725 O GLU A 49 -10.257 -8.099 -5.998 1.00 0.00 O ATOM 726 CB GLU A 49 -10.305 -10.626 -4.503 1.00 0.00 C ATOM 727 CG GLU A 49 -9.724 -12.038 -4.406 1.00 0.00 C ATOM 728 CD GLU A 49 -10.829 -13.093 -4.501 1.00 0.00 C ATOM 729 OE1 GLU A 49 -11.758 -12.871 -5.307 1.00 0.00 O ATOM 730 OE2 GLU A 49 -10.718 -14.098 -3.766 1.00 0.00 O ATOM 0 H GLU A 49 -10.217 -8.863 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.245 -10.096 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.021 -10.467 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.851 -10.517 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.999 -12.193 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.188 -12.151 -3.463 1.00 0.00 H new ATOM 737 N ASN A 50 -8.061 -8.554 -6.290 1.00 0.00 N ATOM 738 CA ASN A 50 -7.933 -7.725 -7.477 1.00 0.00 C ATOM 739 C ASN A 50 -6.486 -7.773 -7.973 1.00 0.00 C ATOM 740 O ASN A 50 -6.240 -7.791 -9.178 1.00 0.00 O ATOM 741 CB ASN A 50 -8.280 -6.267 -7.170 1.00 0.00 C ATOM 742 CG ASN A 50 -9.456 -5.792 -8.024 1.00 0.00 C ATOM 743 OD1 ASN A 50 -9.644 -6.209 -9.155 1.00 0.00 O ATOM 744 ND2 ASN A 50 -10.236 -4.898 -7.422 1.00 0.00 N ATOM 0 H ASN A 50 -7.202 -9.024 -6.003 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.620 -8.108 -8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.528 -6.163 -6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.411 -5.636 -7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.048 -4.519 -7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.022 -4.591 -6.473 1.00 0.00 H new ATOM 751 N LYS A 51 -5.567 -7.792 -7.019 1.00 0.00 N ATOM 752 CA LYS A 51 -4.152 -7.837 -7.344 1.00 0.00 C ATOM 753 C LYS A 51 -3.747 -6.528 -8.025 1.00 0.00 C ATOM 754 O LYS A 51 -2.774 -6.491 -8.776 1.00 0.00 O ATOM 755 CB LYS A 51 -3.831 -9.085 -8.169 1.00 0.00 C ATOM 756 CG LYS A 51 -3.565 -10.288 -7.263 1.00 0.00 C ATOM 757 CD LYS A 51 -4.343 -11.517 -7.739 1.00 0.00 C ATOM 758 CE LYS A 51 -3.503 -12.787 -7.597 1.00 0.00 C ATOM 759 NZ LYS A 51 -3.765 -13.711 -8.723 1.00 0.00 N ATOM 0 H LYS A 51 -5.775 -7.777 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.555 -7.922 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.662 -9.306 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.959 -8.897 -8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.498 -10.511 -7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.851 -10.047 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.261 -11.617 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.636 -11.385 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.444 -12.529 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.735 -13.280 -6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.186 -14.568 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.772 -13.972 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.521 -13.244 -9.620 1.00 0.00 H new ATOM 773 N SER A 52 -4.515 -5.487 -7.738 1.00 0.00 N ATOM 774 CA SER A 52 -4.249 -4.180 -8.314 1.00 0.00 C ATOM 775 C SER A 52 -4.715 -3.082 -7.356 1.00 0.00 C ATOM 776 O SER A 52 -4.971 -1.955 -7.776 1.00 0.00 O ATOM 777 CB SER A 52 -4.936 -4.026 -9.672 1.00 0.00 C ATOM 778 OG SER A 52 -4.016 -3.659 -10.697 1.00 0.00 O ATOM 0 H SER A 52 -5.321 -5.522 -7.114 1.00 0.00 H new ATOM 0 HA SER A 52 -3.174 -4.087 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.423 -4.964 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.718 -3.270 -9.599 1.00 0.00 H new ATOM 0 HG SER A 52 -4.493 -3.572 -11.549 1.00 0.00 H new ATOM 784 N TRP A 53 -4.809 -3.449 -6.086 1.00 0.00 N ATOM 785 CA TRP A 53 -5.240 -2.509 -5.065 1.00 0.00 C ATOM 786 C TRP A 53 -4.767 -3.036 -3.709 1.00 0.00 C ATOM 787 O TRP A 53 -4.689 -4.245 -3.501 1.00 0.00 O ATOM 788 CB TRP A 53 -6.752 -2.287 -5.127 1.00 0.00 C ATOM 789 CG TRP A 53 -7.195 -1.318 -6.224 1.00 0.00 C ATOM 790 CD1 TRP A 53 -7.721 -1.611 -7.421 1.00 0.00 C ATOM 791 CD2 TRP A 53 -7.129 0.123 -6.177 1.00 0.00 C ATOM 792 NE1 TRP A 53 -7.997 -0.470 -8.146 1.00 0.00 N ATOM 793 CE2 TRP A 53 -7.626 0.618 -7.365 1.00 0.00 C ATOM 794 CE3 TRP A 53 -6.664 0.980 -5.163 1.00 0.00 C ATOM 795 CZ2 TRP A 53 -7.706 1.986 -7.652 1.00 0.00 C ATOM 796 CZ3 TRP A 53 -6.751 2.344 -5.465 1.00 0.00 C ATOM 797 CH2 TRP A 53 -7.249 2.859 -6.657 1.00 0.00 C ATOM 0 H TRP A 53 -4.594 -4.384 -5.741 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.796 -1.528 -5.231 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.243 -3.247 -5.285 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.093 -1.909 -4.163 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.906 -2.615 -7.774 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -8.399 -0.432 -9.083 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.271 0.615 -4.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -8.099 2.349 -8.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.407 3.046 -4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -7.283 3.927 -6.815 1.00 0.00 H new ATOM 808 N TYR A 54 -4.464 -2.101 -2.820 1.00 0.00 N ATOM 809 CA TYR A 54 -4.002 -2.455 -1.489 1.00 0.00 C ATOM 810 C TYR A 54 -4.365 -1.369 -0.475 1.00 0.00 C ATOM 811 O TYR A 54 -4.076 -0.193 -0.688 1.00 0.00 O ATOM 812 CB TYR A 54 -2.478 -2.557 -1.585 1.00 0.00 C ATOM 813 CG TYR A 54 -1.976 -3.907 -2.101 1.00 0.00 C ATOM 814 CD1 TYR A 54 -2.065 -5.028 -1.300 1.00 0.00 C ATOM 815 CD2 TYR A 54 -1.434 -4.004 -3.366 1.00 0.00 C ATOM 816 CE1 TYR A 54 -1.592 -6.298 -1.785 1.00 0.00 C ATOM 817 CE2 TYR A 54 -0.961 -5.275 -3.851 1.00 0.00 C ATOM 818 CZ TYR A 54 -1.063 -6.359 -3.037 1.00 0.00 C ATOM 819 OH TYR A 54 -0.617 -7.559 -3.495 1.00 0.00 O ATOM 0 H TYR A 54 -4.530 -1.098 -2.996 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.464 -3.385 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.112 -1.769 -2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.049 -2.374 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.489 -4.952 -0.310 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.364 -3.127 -3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.656 -7.183 -1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.535 -5.365 -4.839 1.00 0.00 H new ATOM 0 HH TYR A 54 0.289 -7.456 -3.855 1.00 0.00 H new ATOM 829 N ARG A 55 -4.995 -1.802 0.608 1.00 0.00 N ATOM 830 CA ARG A 55 -5.401 -0.881 1.656 1.00 0.00 C ATOM 831 C ARG A 55 -4.281 -0.722 2.686 1.00 0.00 C ATOM 832 O ARG A 55 -3.947 -1.669 3.396 1.00 0.00 O ATOM 833 CB ARG A 55 -6.667 -1.373 2.361 1.00 0.00 C ATOM 834 CG ARG A 55 -7.325 -0.245 3.157 1.00 0.00 C ATOM 835 CD ARG A 55 -8.783 -0.578 3.480 1.00 0.00 C ATOM 836 NE ARG A 55 -9.684 0.367 2.784 1.00 0.00 N ATOM 837 CZ ARG A 55 -10.951 0.603 3.149 1.00 0.00 C ATOM 838 NH1 ARG A 55 -11.475 -0.035 4.204 1.00 0.00 N ATOM 839 NH2 ARG A 55 -11.696 1.478 2.458 1.00 0.00 N ATOM 0 H ARG A 55 -5.234 -2.778 0.782 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.609 0.082 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.370 -1.761 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.418 -2.197 3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.773 -0.078 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.278 0.683 2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.008 -1.600 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.947 -0.524 4.556 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.317 0.870 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.909 -0.701 4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.440 0.145 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.298 1.964 1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.661 1.658 2.736 1.00 0.00 H new ATOM 853 N VAL A 56 -3.732 0.483 2.734 1.00 0.00 N ATOM 854 CA VAL A 56 -2.657 0.779 3.665 1.00 0.00 C ATOM 855 C VAL A 56 -3.080 1.933 4.577 1.00 0.00 C ATOM 856 O VAL A 56 -4.171 2.481 4.424 1.00 0.00 O ATOM 857 CB VAL A 56 -1.365 1.066 2.898 1.00 0.00 C ATOM 858 CG1 VAL A 56 -1.119 0.006 1.822 1.00 0.00 C ATOM 859 CG2 VAL A 56 -1.388 2.470 2.290 1.00 0.00 C ATOM 0 H VAL A 56 -4.012 1.266 2.143 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.457 -0.082 4.303 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.538 1.022 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.194 0.234 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.037 -0.975 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.950 0.003 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.458 2.648 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.229 2.555 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.494 3.209 3.084 1.00 0.00 H new ATOM 869 N LYS A 57 -2.195 2.267 5.504 1.00 0.00 N ATOM 870 CA LYS A 57 -2.463 3.346 6.440 1.00 0.00 C ATOM 871 C LYS A 57 -1.351 4.392 6.338 1.00 0.00 C ATOM 872 O LYS A 57 -0.170 4.056 6.408 1.00 0.00 O ATOM 873 CB LYS A 57 -2.660 2.793 7.853 1.00 0.00 C ATOM 874 CG LYS A 57 -3.269 3.851 8.775 1.00 0.00 C ATOM 875 CD LYS A 57 -2.824 3.637 10.224 1.00 0.00 C ATOM 876 CE LYS A 57 -3.351 4.752 11.129 1.00 0.00 C ATOM 877 NZ LYS A 57 -4.531 4.286 11.892 1.00 0.00 N ATOM 0 H LYS A 57 -1.292 1.810 5.627 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.397 3.848 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.310 1.918 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.702 2.463 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.970 4.845 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.357 3.809 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.186 2.673 10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.736 3.607 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.568 5.070 11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.619 5.621 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.876 5.055 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.283 4.004 11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.264 3.471 12.481 1.00 0.00 H new ATOM 891 N HIS A 58 -1.768 5.639 6.174 1.00 0.00 N ATOM 892 CA HIS A 58 -0.822 6.736 6.062 1.00 0.00 C ATOM 893 C HIS A 58 -0.260 7.073 7.445 1.00 0.00 C ATOM 894 O HIS A 58 -1.011 7.415 8.357 1.00 0.00 O ATOM 895 CB HIS A 58 -1.466 7.941 5.374 1.00 0.00 C ATOM 896 CG HIS A 58 -0.510 8.751 4.531 1.00 0.00 C ATOM 897 ND1 HIS A 58 0.323 9.719 5.063 1.00 0.00 N ATOM 898 CD2 HIS A 58 -0.263 8.725 3.190 1.00 0.00 C ATOM 899 CE1 HIS A 58 1.034 10.247 4.077 1.00 0.00 C ATOM 900 NE2 HIS A 58 0.669 9.630 2.917 1.00 0.00 N ATOM 0 H HIS A 58 -2.749 5.914 6.116 1.00 0.00 H new ATOM 0 HA HIS A 58 0.015 6.436 5.432 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.284 7.592 4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.903 8.589 6.134 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.744 8.078 2.472 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.773 11.029 4.175 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.049 9.831 1.992 1.00 0.00 H new ATOM 908 N HIS A 59 1.055 6.964 7.557 1.00 0.00 N ATOM 909 CA HIS A 59 1.726 7.253 8.813 1.00 0.00 C ATOM 910 C HIS A 59 1.417 8.689 9.241 1.00 0.00 C ATOM 911 O HIS A 59 0.590 8.913 10.124 1.00 0.00 O ATOM 912 CB HIS A 59 3.227 6.977 8.704 1.00 0.00 C ATOM 913 CG HIS A 59 3.793 6.193 9.863 1.00 0.00 C ATOM 914 ND1 HIS A 59 3.503 4.856 10.078 1.00 0.00 N ATOM 915 CD2 HIS A 59 4.635 6.570 10.868 1.00 0.00 C ATOM 916 CE1 HIS A 59 4.146 4.458 11.165 1.00 0.00 C ATOM 917 NE2 HIS A 59 4.847 5.521 11.654 1.00 0.00 N ATOM 0 H HIS A 59 1.674 6.679 6.798 1.00 0.00 H new ATOM 0 HA HIS A 59 1.350 6.589 9.591 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.419 6.431 7.781 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.756 7.927 8.628 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.058 7.555 11.002 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.120 3.465 11.590 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.437 5.512 12.486 1.00 0.00 H new ATOM 925 N THR A 60 2.098 9.624 8.596 1.00 0.00 N ATOM 926 CA THR A 60 1.907 11.032 8.899 1.00 0.00 C ATOM 927 C THR A 60 0.418 11.348 9.050 1.00 0.00 C ATOM 928 O THR A 60 -0.034 11.728 10.129 1.00 0.00 O ATOM 929 CB THR A 60 2.593 11.850 7.803 1.00 0.00 C ATOM 930 OG1 THR A 60 3.974 11.810 8.153 1.00 0.00 O ATOM 931 CG2 THR A 60 2.235 13.336 7.869 1.00 0.00 C ATOM 0 H THR A 60 2.783 9.434 7.865 1.00 0.00 H new ATOM 0 HA THR A 60 2.362 11.295 9.854 1.00 0.00 H new ATOM 0 HB THR A 60 2.315 11.453 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.493 12.315 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.749 13.870 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.158 13.456 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.543 13.742 8.832 1.00 0.00 H new ATOM 939 N SER A 61 -0.304 11.179 7.952 1.00 0.00 N ATOM 940 CA SER A 61 -1.734 11.441 7.949 1.00 0.00 C ATOM 941 C SER A 61 -2.410 10.667 9.082 1.00 0.00 C ATOM 942 O SER A 61 -2.793 11.250 10.095 1.00 0.00 O ATOM 943 CB SER A 61 -2.359 11.067 6.603 1.00 0.00 C ATOM 944 OG SER A 61 -2.911 12.200 5.939 1.00 0.00 O ATOM 0 H SER A 61 0.074 10.864 7.058 1.00 0.00 H new ATOM 0 HA SER A 61 -1.887 12.509 8.106 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.603 10.607 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.140 10.323 6.760 1.00 0.00 H new ATOM 0 HG SER A 61 -2.992 12.011 4.981 1.00 0.00 H new ATOM 950 N GLY A 62 -2.537 9.365 8.872 1.00 0.00 N ATOM 951 CA GLY A 62 -3.161 8.504 9.863 1.00 0.00 C ATOM 952 C GLY A 62 -4.532 8.021 9.385 1.00 0.00 C ATOM 953 O GLY A 62 -5.353 7.581 10.187 1.00 0.00 O ATOM 0 H GLY A 62 -2.218 8.885 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.518 7.646 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.270 9.045 10.803 1.00 0.00 H new ATOM 957 N GLN A 63 -4.736 8.119 8.080 1.00 0.00 N ATOM 958 CA GLN A 63 -5.992 7.698 7.485 1.00 0.00 C ATOM 959 C GLN A 63 -5.840 6.316 6.845 1.00 0.00 C ATOM 960 O GLN A 63 -4.756 5.734 6.867 1.00 0.00 O ATOM 961 CB GLN A 63 -6.487 8.724 6.463 1.00 0.00 C ATOM 962 CG GLN A 63 -6.320 10.149 6.992 1.00 0.00 C ATOM 963 CD GLN A 63 -6.503 11.175 5.872 1.00 0.00 C ATOM 964 OE1 GLN A 63 -7.579 11.350 5.325 1.00 0.00 O ATOM 965 NE2 GLN A 63 -5.394 11.842 5.563 1.00 0.00 N ATOM 0 H GLN A 63 -4.052 8.484 7.418 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.740 7.631 8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.933 8.611 5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.536 8.538 6.234 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.047 10.335 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.331 10.262 7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.526 11.646 6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.412 12.549 4.828 1.00 0.00 H new ATOM 974 N GLU A 64 -6.941 5.832 6.290 1.00 0.00 N ATOM 975 CA GLU A 64 -6.943 4.530 5.645 1.00 0.00 C ATOM 976 C GLU A 64 -7.712 4.593 4.324 1.00 0.00 C ATOM 977 O GLU A 64 -8.921 4.820 4.315 1.00 0.00 O ATOM 978 CB GLU A 64 -7.528 3.461 6.569 1.00 0.00 C ATOM 979 CG GLU A 64 -6.651 3.266 7.808 1.00 0.00 C ATOM 980 CD GLU A 64 -7.319 2.324 8.811 1.00 0.00 C ATOM 981 OE1 GLU A 64 -8.022 1.402 8.343 1.00 0.00 O ATOM 982 OE2 GLU A 64 -7.112 2.547 10.023 1.00 0.00 O ATOM 0 H GLU A 64 -7.838 6.318 6.274 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.911 4.252 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.534 3.750 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.616 2.518 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.683 2.861 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.462 4.230 8.280 1.00 0.00 H new ATOM 989 N GLY A 65 -6.979 4.388 3.239 1.00 0.00 N ATOM 990 CA GLY A 65 -7.578 4.419 1.915 1.00 0.00 C ATOM 991 C GLY A 65 -6.915 3.396 0.990 1.00 0.00 C ATOM 992 O GLY A 65 -5.786 2.973 1.233 1.00 0.00 O ATOM 0 H GLY A 65 -5.977 4.200 3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.645 4.210 1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.478 5.418 1.490 1.00 0.00 H new ATOM 996 N LEU A 66 -7.646 3.027 -0.052 1.00 0.00 N ATOM 997 CA LEU A 66 -7.144 2.062 -1.015 1.00 0.00 C ATOM 998 C LEU A 66 -5.962 2.671 -1.772 1.00 0.00 C ATOM 999 O LEU A 66 -5.901 3.885 -1.961 1.00 0.00 O ATOM 1000 CB LEU A 66 -8.273 1.576 -1.925 1.00 0.00 C ATOM 1001 CG LEU A 66 -9.351 0.720 -1.258 1.00 0.00 C ATOM 1002 CD1 LEU A 66 -10.547 0.518 -2.191 1.00 0.00 C ATOM 1003 CD2 LEU A 66 -8.772 -0.611 -0.771 1.00 0.00 C ATOM 0 H LEU A 66 -8.582 3.379 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.772 1.173 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.753 2.447 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.834 1.001 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.715 1.253 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.298 -0.094 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.978 1.486 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.218 0.017 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.559 -1.200 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.364 -1.162 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.980 -0.420 -0.047 1.00 0.00 H new ATOM 1015 N LEU A 67 -5.053 1.801 -2.185 1.00 0.00 N ATOM 1016 CA LEU A 67 -3.877 2.238 -2.918 1.00 0.00 C ATOM 1017 C LEU A 67 -3.709 1.372 -4.169 1.00 0.00 C ATOM 1018 O LEU A 67 -4.015 0.180 -4.148 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.649 2.244 -2.006 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.927 3.585 -1.862 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -1.017 3.590 -0.632 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -1.163 3.936 -3.141 1.00 0.00 C ATOM 0 H LEU A 67 -5.107 0.795 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.000 3.267 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.956 1.911 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.937 1.509 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.677 4.361 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.516 4.555 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.614 3.418 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.271 2.801 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.659 4.894 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.424 3.162 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.861 4.003 -3.975 1.00 0.00 H new ATOM 1034 N ALA A 68 -3.225 2.005 -5.227 1.00 0.00 N ATOM 1035 CA ALA A 68 -3.013 1.307 -6.484 1.00 0.00 C ATOM 1036 C ALA A 68 -1.762 0.434 -6.373 1.00 0.00 C ATOM 1037 O ALA A 68 -0.656 0.946 -6.203 1.00 0.00 O ATOM 1038 CB ALA A 68 -2.915 2.324 -7.622 1.00 0.00 C ATOM 0 H ALA A 68 -2.974 2.993 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.854 0.650 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.756 1.801 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.840 2.898 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.079 2.999 -7.436 1.00 0.00 H new ATOM 1044 N ALA A 69 -1.977 -0.870 -6.474 1.00 0.00 N ATOM 1045 CA ALA A 69 -0.881 -1.819 -6.387 1.00 0.00 C ATOM 1046 C ALA A 69 0.236 -1.390 -7.341 1.00 0.00 C ATOM 1047 O ALA A 69 1.399 -1.732 -7.133 1.00 0.00 O ATOM 1048 CB ALA A 69 -1.399 -3.226 -6.690 1.00 0.00 C ATOM 0 H ALA A 69 -2.895 -1.291 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.466 -1.835 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.577 -3.938 -6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.169 -3.494 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.821 -3.250 -7.695 1.00 0.00 H new ATOM 1054 N GLY A 70 -0.157 -0.648 -8.366 1.00 0.00 N ATOM 1055 CA GLY A 70 0.796 -0.169 -9.352 1.00 0.00 C ATOM 1056 C GLY A 70 1.323 1.217 -8.977 1.00 0.00 C ATOM 1057 O GLY A 70 1.535 2.061 -9.847 1.00 0.00 O ATOM 0 H GLY A 70 -1.123 -0.367 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.628 -0.869 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.321 -0.128 -10.332 1.00 0.00 H new ATOM 1061 N ALA A 71 1.520 1.409 -7.681 1.00 0.00 N ATOM 1062 CA ALA A 71 2.019 2.679 -7.180 1.00 0.00 C ATOM 1063 C ALA A 71 2.643 2.468 -5.800 1.00 0.00 C ATOM 1064 O ALA A 71 2.677 3.387 -4.982 1.00 0.00 O ATOM 1065 CB ALA A 71 0.880 3.701 -7.155 1.00 0.00 C ATOM 0 H ALA A 71 1.343 0.707 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 71 2.796 3.072 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.254 4.653 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.491 3.837 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.083 3.342 -6.504 1.00 0.00 H new ATOM 1071 N LEU A 72 3.123 1.252 -5.582 1.00 0.00 N ATOM 1072 CA LEU A 72 3.745 0.909 -4.314 1.00 0.00 C ATOM 1073 C LEU A 72 5.067 0.185 -4.579 1.00 0.00 C ATOM 1074 O LEU A 72 5.215 -0.493 -5.595 1.00 0.00 O ATOM 1075 CB LEU A 72 2.774 0.115 -3.439 1.00 0.00 C ATOM 1076 CG LEU A 72 1.445 0.802 -3.117 1.00 0.00 C ATOM 1077 CD1 LEU A 72 0.404 -0.212 -2.642 1.00 0.00 C ATOM 1078 CD2 LEU A 72 1.644 1.935 -2.108 1.00 0.00 C ATOM 0 H LEU A 72 3.094 0.492 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 72 3.982 1.811 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.560 -0.832 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.274 -0.123 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 72 1.062 1.250 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.531 0.303 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.234 -0.952 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.766 -0.711 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.684 2.407 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.061 1.531 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.328 2.675 -2.522 1.00 0.00 H new ATOM 1090 N ARG A 73 5.994 0.353 -3.647 1.00 0.00 N ATOM 1091 CA ARG A 73 7.298 -0.276 -3.767 1.00 0.00 C ATOM 1092 C ARG A 73 7.792 -0.740 -2.396 1.00 0.00 C ATOM 1093 O ARG A 73 7.188 -0.419 -1.373 1.00 0.00 O ATOM 1094 CB ARG A 73 8.321 0.689 -4.370 1.00 0.00 C ATOM 1095 CG ARG A 73 8.485 1.932 -3.494 1.00 0.00 C ATOM 1096 CD ARG A 73 9.902 2.017 -2.923 1.00 0.00 C ATOM 1097 NE ARG A 73 10.278 3.432 -2.709 1.00 0.00 N ATOM 1098 CZ ARG A 73 11.406 3.827 -2.103 1.00 0.00 C ATOM 1099 NH1 ARG A 73 12.275 2.915 -1.646 1.00 0.00 N ATOM 1100 NH2 ARG A 73 11.665 5.133 -1.953 1.00 0.00 N ATOM 0 H ARG A 73 5.868 0.916 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 73 7.192 -1.136 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.282 0.186 -4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.003 0.984 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.271 2.825 -4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.762 1.905 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.957 1.471 -1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.607 1.544 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 73 9.638 4.152 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.078 1.921 -1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.134 3.215 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.003 5.827 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.524 5.433 -1.492 1.00 0.00 H new ATOM 1114 N GLU A 74 8.885 -1.488 -2.418 1.00 0.00 N ATOM 1115 CA GLU A 74 9.467 -1.999 -1.188 1.00 0.00 C ATOM 1116 C GLU A 74 10.500 -1.013 -0.639 1.00 0.00 C ATOM 1117 O GLU A 74 11.602 -0.903 -1.174 1.00 0.00 O ATOM 1118 CB GLU A 74 10.089 -3.380 -1.409 1.00 0.00 C ATOM 1119 CG GLU A 74 9.946 -4.251 -0.160 1.00 0.00 C ATOM 1120 CD GLU A 74 11.143 -5.193 -0.008 1.00 0.00 C ATOM 1121 OE1 GLU A 74 11.135 -6.236 -0.697 1.00 0.00 O ATOM 1122 OE2 GLU A 74 12.038 -4.848 0.793 1.00 0.00 O ATOM 0 H GLU A 74 9.383 -1.753 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 74 8.672 -2.108 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.606 -3.869 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.144 -3.272 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.864 -3.617 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.026 -4.833 -0.221 1.00 0.00 H new ATOM 1129 N ARG A 75 10.107 -0.322 0.420 1.00 0.00 N ATOM 1130 CA ARG A 75 10.985 0.651 1.047 1.00 0.00 C ATOM 1131 C ARG A 75 12.425 0.134 1.062 1.00 0.00 C ATOM 1132 O ARG A 75 13.341 0.825 0.619 1.00 0.00 O ATOM 1133 CB ARG A 75 10.542 0.949 2.481 1.00 0.00 C ATOM 1134 CG ARG A 75 11.318 2.135 3.059 1.00 0.00 C ATOM 1135 CD ARG A 75 10.919 2.395 4.513 1.00 0.00 C ATOM 1136 NE ARG A 75 11.783 3.447 5.094 1.00 0.00 N ATOM 1137 CZ ARG A 75 13.043 3.244 5.501 1.00 0.00 C ATOM 1138 NH1 ARG A 75 13.595 2.028 5.392 1.00 0.00 N ATOM 1139 NH2 ARG A 75 13.752 4.257 6.016 1.00 0.00 N ATOM 0 H ARG A 75 9.192 -0.416 0.860 1.00 0.00 H new ATOM 0 HA ARG A 75 10.932 1.570 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.474 1.166 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.699 0.069 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.388 1.937 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.127 3.026 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.874 2.702 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.009 1.477 5.093 1.00 0.00 H new ATOM 0 HE ARG A 75 11.395 4.385 5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.056 1.257 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.554 1.874 5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.332 5.183 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.711 4.102 6.326 1.00 0.00 H new ATOM 1153 N SER A 76 12.579 -1.077 1.577 1.00 0.00 N ATOM 1154 CA SER A 76 13.892 -1.695 1.656 1.00 0.00 C ATOM 1155 C SER A 76 14.215 -2.407 0.342 1.00 0.00 C ATOM 1156 O SER A 76 13.373 -3.115 -0.208 1.00 0.00 O ATOM 1157 CB SER A 76 13.969 -2.678 2.826 1.00 0.00 C ATOM 1158 OG SER A 76 14.761 -2.173 3.897 1.00 0.00 O ATOM 0 H SER A 76 11.817 -1.647 1.944 1.00 0.00 H new ATOM 0 HA SER A 76 14.629 -0.911 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.963 -2.890 3.188 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.389 -3.622 2.479 1.00 0.00 H new ATOM 0 HG SER A 76 14.784 -2.829 4.625 1.00 0.00 H new ATOM 1164 N GLY A 77 15.437 -2.195 -0.125 1.00 0.00 N ATOM 1165 CA GLY A 77 15.882 -2.808 -1.365 1.00 0.00 C ATOM 1166 C GLY A 77 17.406 -2.945 -1.393 1.00 0.00 C ATOM 1167 O GLY A 77 18.087 -2.537 -0.454 1.00 0.00 O ATOM 0 H GLY A 77 16.133 -1.607 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.423 -3.791 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.552 -2.206 -2.211 1.00 0.00 H new ATOM 1171 N PRO A 78 17.909 -3.536 -2.510 1.00 0.00 N ATOM 1172 CA PRO A 78 19.339 -3.731 -2.674 1.00 0.00 C ATOM 1173 C PRO A 78 20.038 -2.413 -3.014 1.00 0.00 C ATOM 1174 O PRO A 78 20.285 -2.121 -4.183 1.00 0.00 O ATOM 1175 CB PRO A 78 19.471 -4.774 -3.772 1.00 0.00 C ATOM 1176 CG PRO A 78 18.137 -4.781 -4.501 1.00 0.00 C ATOM 1177 CD PRO A 78 17.132 -4.031 -3.643 1.00 0.00 C ATOM 0 HA PRO A 78 19.824 -4.071 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 78 20.286 -4.525 -4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 78 19.693 -5.756 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.234 -4.307 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.802 -5.804 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.672 -3.212 -4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.325 -4.686 -3.314 1.00 0.00 H new ATOM 1185 N SER A 79 20.336 -1.652 -1.971 1.00 0.00 N ATOM 1186 CA SER A 79 21.001 -0.372 -2.145 1.00 0.00 C ATOM 1187 C SER A 79 22.434 -0.450 -1.615 1.00 0.00 C ATOM 1188 O SER A 79 22.774 -1.367 -0.869 1.00 0.00 O ATOM 1189 CB SER A 79 20.234 0.747 -1.437 1.00 0.00 C ATOM 1190 OG SER A 79 20.210 1.947 -2.207 1.00 0.00 O ATOM 0 H SER A 79 20.129 -1.897 -1.003 1.00 0.00 H new ATOM 0 HA SER A 79 21.027 -0.142 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 79 19.212 0.420 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.694 0.946 -0.469 1.00 0.00 H new ATOM 0 HG SER A 79 19.710 2.637 -1.722 1.00 0.00 H new ATOM 1196 N SER A 80 23.236 0.523 -2.022 1.00 0.00 N ATOM 1197 CA SER A 80 24.624 0.575 -1.598 1.00 0.00 C ATOM 1198 C SER A 80 24.964 1.978 -1.090 1.00 0.00 C ATOM 1199 O SER A 80 26.128 2.375 -1.085 1.00 0.00 O ATOM 1200 CB SER A 80 25.564 0.182 -2.739 1.00 0.00 C ATOM 1201 OG SER A 80 25.162 0.752 -3.982 1.00 0.00 O ATOM 0 H SER A 80 22.951 1.282 -2.641 1.00 0.00 H new ATOM 0 HA SER A 80 24.761 -0.141 -0.788 1.00 0.00 H new ATOM 0 HB2 SER A 80 26.577 0.507 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 80 25.590 -0.904 -2.830 1.00 0.00 H new ATOM 0 HG SER A 80 25.788 0.479 -4.685 1.00 0.00 H new ATOM 1207 N GLY A 81 23.926 2.690 -0.675 1.00 0.00 N ATOM 1208 CA GLY A 81 24.100 4.040 -0.167 1.00 0.00 C ATOM 1209 C GLY A 81 23.816 5.077 -1.256 1.00 0.00 C ATOM 1210 O GLY A 81 24.595 6.008 -1.449 1.00 0.00 O ATOM 0 H GLY A 81 22.962 2.357 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 81 23.432 4.203 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 81 25.118 4.165 0.202 1.00 0.00 H new TER 1214 GLY A 81