USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 78 HIS HD1 : A 78 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 LYS NZ :NH3+ -155:sc= 0.00224 (180deg=-0.635) USER MOD Set 1.2: A 58 ASN : amide:sc= -5.38! C(o=-5.4!,f=-7.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.0415 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -146:sc= -1.34 (180deg=-1.37) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.153 F(o=-0.89,f=-0.15) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl -144:sc= -0.157 (180deg=-0.779) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -112:sc= 0.767 (180deg=-0.383) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0922 (180deg=-0.365) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00732 X(o=-0.0073,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -3.32! (180deg=-3.93!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 165:sc= -1.01 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -48:sc= 0.785 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.473 -16.267 41.340 1.00 0.00 N ATOM 2 CA GLY A 1 -34.305 -15.155 41.759 1.00 0.00 C ATOM 3 C GLY A 1 -33.507 -14.054 42.430 1.00 0.00 C ATOM 4 O GLY A 1 -33.237 -14.116 43.629 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.065 -16.992 40.887 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.759 -15.931 40.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.997 -16.676 42.169 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.824 -14.747 40.892 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.069 -15.516 42.447 1.00 0.00 H new ATOM 8 N SER A 2 -33.126 -13.044 41.654 1.00 0.00 N ATOM 9 CA SER A 2 -32.349 -11.928 42.179 1.00 0.00 C ATOM 10 C SER A 2 -33.000 -10.596 41.818 1.00 0.00 C ATOM 11 O SER A 2 -33.930 -10.545 41.014 1.00 0.00 O ATOM 12 CB SER A 2 -30.920 -11.974 41.636 1.00 0.00 C ATOM 13 OG SER A 2 -30.882 -11.611 40.267 1.00 0.00 O ATOM 0 H SER A 2 -33.343 -12.976 40.660 1.00 0.00 H new ATOM 0 HA SER A 2 -32.320 -12.016 43.265 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.287 -11.299 42.212 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.512 -12.977 41.761 1.00 0.00 H new ATOM 0 HG SER A 2 -29.957 -11.647 39.945 1.00 0.00 H new ATOM 19 N SER A 3 -32.503 -9.520 42.419 1.00 0.00 N ATOM 20 CA SER A 3 -33.038 -8.187 42.165 1.00 0.00 C ATOM 21 C SER A 3 -31.962 -7.271 41.590 1.00 0.00 C ATOM 22 O SER A 3 -30.779 -7.609 41.588 1.00 0.00 O ATOM 23 CB SER A 3 -33.600 -7.585 43.455 1.00 0.00 C ATOM 24 OG SER A 3 -32.568 -7.338 44.394 1.00 0.00 O ATOM 0 H SER A 3 -31.731 -9.545 43.085 1.00 0.00 H new ATOM 0 HA SER A 3 -33.842 -8.278 41.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.121 -6.655 43.229 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.334 -8.265 43.887 1.00 0.00 H new ATOM 0 HG SER A 3 -32.952 -6.952 45.209 1.00 0.00 H new ATOM 30 N GLY A 4 -32.383 -6.108 41.102 1.00 0.00 N ATOM 31 CA GLY A 4 -31.444 -5.160 40.530 1.00 0.00 C ATOM 32 C GLY A 4 -30.261 -4.895 41.440 1.00 0.00 C ATOM 33 O GLY A 4 -30.383 -4.183 42.437 1.00 0.00 O ATOM 0 H GLY A 4 -33.357 -5.805 41.092 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.085 -5.541 39.574 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.959 -4.221 40.326 1.00 0.00 H new ATOM 37 N SER A 5 -29.113 -5.470 41.097 1.00 0.00 N ATOM 38 CA SER A 5 -27.904 -5.296 41.894 1.00 0.00 C ATOM 39 C SER A 5 -27.420 -3.850 41.839 1.00 0.00 C ATOM 40 O SER A 5 -27.143 -3.237 42.870 1.00 0.00 O ATOM 41 CB SER A 5 -26.802 -6.234 41.397 1.00 0.00 C ATOM 42 OG SER A 5 -26.538 -6.026 40.020 1.00 0.00 O ATOM 0 H SER A 5 -28.994 -6.060 40.273 1.00 0.00 H new ATOM 0 HA SER A 5 -28.142 -5.542 42.929 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.892 -6.069 41.974 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.100 -7.270 41.561 1.00 0.00 H new ATOM 0 HG SER A 5 -25.829 -6.636 39.727 1.00 0.00 H new ATOM 48 N SER A 6 -27.320 -3.312 40.628 1.00 0.00 N ATOM 49 CA SER A 6 -26.866 -1.939 40.437 1.00 0.00 C ATOM 50 C SER A 6 -27.591 -1.286 39.264 1.00 0.00 C ATOM 51 O SER A 6 -27.318 -1.591 38.104 1.00 0.00 O ATOM 52 CB SER A 6 -25.355 -1.908 40.199 1.00 0.00 C ATOM 53 OG SER A 6 -24.898 -0.582 39.997 1.00 0.00 O ATOM 0 H SER A 6 -27.547 -3.805 39.765 1.00 0.00 H new ATOM 0 HA SER A 6 -27.096 -1.377 41.342 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.840 -2.347 41.053 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.108 -2.518 39.330 1.00 0.00 H new ATOM 0 HG SER A 6 -23.929 -0.589 39.849 1.00 0.00 H new ATOM 59 N GLY A 7 -28.516 -0.384 39.576 1.00 0.00 N ATOM 60 CA GLY A 7 -29.267 0.299 38.539 1.00 0.00 C ATOM 61 C GLY A 7 -29.547 1.748 38.884 1.00 0.00 C ATOM 62 O GLY A 7 -30.336 2.038 39.784 1.00 0.00 O ATOM 0 H GLY A 7 -28.759 -0.114 40.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.712 0.253 37.602 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.211 -0.221 38.376 1.00 0.00 H new ATOM 66 N VAL A 8 -28.898 2.662 38.170 1.00 0.00 N ATOM 67 CA VAL A 8 -29.081 4.089 38.406 1.00 0.00 C ATOM 68 C VAL A 8 -29.193 4.853 37.092 1.00 0.00 C ATOM 69 O VAL A 8 -29.039 4.280 36.013 1.00 0.00 O ATOM 70 CB VAL A 8 -27.919 4.675 39.230 1.00 0.00 C ATOM 71 CG1 VAL A 8 -27.835 3.998 40.590 1.00 0.00 C ATOM 72 CG2 VAL A 8 -26.607 4.536 38.475 1.00 0.00 C ATOM 0 H VAL A 8 -28.240 2.439 37.423 1.00 0.00 H new ATOM 0 HA VAL A 8 -30.008 4.201 38.968 1.00 0.00 H new ATOM 0 HB VAL A 8 -28.109 5.736 39.390 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -27.008 4.425 41.158 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -28.767 4.154 41.133 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -27.669 2.929 40.455 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -25.797 4.955 39.072 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -26.408 3.482 38.283 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -26.674 5.071 37.528 1.00 0.00 H new ATOM 82 N ARG A 9 -29.461 6.151 37.190 1.00 0.00 N ATOM 83 CA ARG A 9 -29.595 6.995 36.008 1.00 0.00 C ATOM 84 C ARG A 9 -28.241 7.210 35.338 1.00 0.00 C ATOM 85 O ARG A 9 -27.232 7.426 36.009 1.00 0.00 O ATOM 86 CB ARG A 9 -30.209 8.344 36.386 1.00 0.00 C ATOM 87 CG ARG A 9 -30.936 9.025 35.238 1.00 0.00 C ATOM 88 CD ARG A 9 -32.010 9.975 35.744 1.00 0.00 C ATOM 89 NE ARG A 9 -31.444 11.087 36.503 1.00 0.00 N ATOM 90 CZ ARG A 9 -32.140 12.159 36.865 1.00 0.00 C ATOM 91 NH1 ARG A 9 -33.422 12.262 36.540 1.00 0.00 N ATOM 92 NH2 ARG A 9 -31.555 13.130 37.555 1.00 0.00 N ATOM 0 H ARG A 9 -29.590 6.641 38.075 1.00 0.00 H new ATOM 0 HA ARG A 9 -30.254 6.488 35.303 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -30.906 8.198 37.211 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -29.421 9.004 36.748 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -30.220 9.576 34.628 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -31.389 8.271 34.595 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -32.577 10.365 34.898 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -32.712 9.427 36.373 1.00 0.00 H new ATOM 0 HE ARG A 9 -30.461 11.038 36.770 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -33.875 11.517 36.011 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -33.954 13.086 36.819 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -30.570 13.054 37.808 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -32.091 13.953 37.832 1.00 0.00 H new ATOM 106 N ALA A 10 -28.227 7.147 34.010 1.00 0.00 N ATOM 107 CA ALA A 10 -26.999 7.336 33.249 1.00 0.00 C ATOM 108 C ALA A 10 -27.299 7.808 31.830 1.00 0.00 C ATOM 109 O ALA A 10 -28.207 7.311 31.164 1.00 0.00 O ATOM 110 CB ALA A 10 -26.193 6.046 33.219 1.00 0.00 C ATOM 0 H ALA A 10 -29.053 6.966 33.439 1.00 0.00 H new ATOM 0 HA ALA A 10 -26.410 8.108 33.743 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -25.278 6.202 32.647 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -25.939 5.752 34.237 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.784 5.259 32.751 1.00 0.00 H new ATOM 116 N PRO A 11 -26.519 8.791 31.355 1.00 0.00 N ATOM 117 CA PRO A 11 -26.683 9.351 30.011 1.00 0.00 C ATOM 118 C PRO A 11 -26.276 8.367 28.919 1.00 0.00 C ATOM 119 O PRO A 11 -25.384 7.541 29.115 1.00 0.00 O ATOM 120 CB PRO A 11 -25.747 10.562 30.015 1.00 0.00 C ATOM 121 CG PRO A 11 -24.715 10.240 31.040 1.00 0.00 C ATOM 122 CD PRO A 11 -25.417 9.430 32.094 1.00 0.00 C ATOM 0 HA PRO A 11 -27.723 9.599 29.797 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -25.296 10.717 29.035 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -26.284 11.476 30.267 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -23.891 9.678 30.601 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -24.290 11.149 31.465 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -24.752 8.692 32.542 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.787 10.059 32.904 1.00 0.00 H new ATOM 130 N VAL A 12 -26.934 8.461 27.768 1.00 0.00 N ATOM 131 CA VAL A 12 -26.640 7.580 26.645 1.00 0.00 C ATOM 132 C VAL A 12 -25.860 8.315 25.560 1.00 0.00 C ATOM 133 O VAL A 12 -26.146 9.472 25.249 1.00 0.00 O ATOM 134 CB VAL A 12 -27.929 7.001 26.032 1.00 0.00 C ATOM 135 CG1 VAL A 12 -28.810 8.116 25.489 1.00 0.00 C ATOM 136 CG2 VAL A 12 -27.595 5.994 24.942 1.00 0.00 C ATOM 0 H VAL A 12 -27.675 9.139 27.589 1.00 0.00 H new ATOM 0 HA VAL A 12 -26.034 6.762 27.035 1.00 0.00 H new ATOM 0 HB VAL A 12 -28.482 6.483 26.815 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -29.716 7.688 25.060 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -29.078 8.795 26.299 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -28.268 8.665 24.719 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -28.517 5.595 24.520 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -27.019 6.485 24.157 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -27.008 5.179 25.367 1.00 0.00 H new ATOM 146 N THR A 13 -24.873 7.635 24.985 1.00 0.00 N ATOM 147 CA THR A 13 -24.051 8.223 23.934 1.00 0.00 C ATOM 148 C THR A 13 -24.206 7.460 22.623 1.00 0.00 C ATOM 149 O THR A 13 -24.593 6.291 22.615 1.00 0.00 O ATOM 150 CB THR A 13 -22.563 8.243 24.331 1.00 0.00 C ATOM 151 OG1 THR A 13 -22.101 6.908 24.567 1.00 0.00 O ATOM 152 CG2 THR A 13 -22.346 9.088 25.577 1.00 0.00 C ATOM 0 H THR A 13 -24.623 6.677 25.229 1.00 0.00 H new ATOM 0 HA THR A 13 -24.397 9.248 23.797 1.00 0.00 H new ATOM 0 HB THR A 13 -21.997 8.683 23.510 1.00 0.00 H new ATOM 0 HG1 THR A 13 -21.154 6.929 24.817 1.00 0.00 H new ATOM 0 HG21 THR A 13 -21.288 9.087 25.838 1.00 0.00 H new ATOM 0 HG22 THR A 13 -22.671 10.110 25.384 1.00 0.00 H new ATOM 0 HG23 THR A 13 -22.924 8.673 26.403 1.00 0.00 H new ATOM 160 N LYS A 14 -23.900 8.128 21.516 1.00 0.00 N ATOM 161 CA LYS A 14 -24.003 7.513 20.198 1.00 0.00 C ATOM 162 C LYS A 14 -22.898 6.482 19.991 1.00 0.00 C ATOM 163 O LYS A 14 -21.745 6.835 19.744 1.00 0.00 O ATOM 164 CB LYS A 14 -23.929 8.583 19.106 1.00 0.00 C ATOM 165 CG LYS A 14 -23.987 8.019 17.697 1.00 0.00 C ATOM 166 CD LYS A 14 -25.365 7.465 17.375 1.00 0.00 C ATOM 167 CE LYS A 14 -25.396 6.813 16.001 1.00 0.00 C ATOM 168 NZ LYS A 14 -24.813 5.443 16.023 1.00 0.00 N ATOM 0 H LYS A 14 -23.578 9.096 21.505 1.00 0.00 H new ATOM 0 HA LYS A 14 -24.965 7.005 20.135 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.751 9.286 19.241 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.004 9.148 19.225 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.731 8.800 16.981 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.242 7.230 17.589 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -25.651 6.735 18.132 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.100 8.269 17.414 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -26.425 6.764 15.646 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -24.844 7.431 15.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.328 5.258 15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -24.131 5.368 16.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.572 4.745 16.158 1.00 0.00 H new ATOM 182 N VAL A 15 -23.259 5.207 20.091 1.00 0.00 N ATOM 183 CA VAL A 15 -22.298 4.125 19.912 1.00 0.00 C ATOM 184 C VAL A 15 -22.721 3.196 18.780 1.00 0.00 C ATOM 185 O VAL A 15 -23.856 2.719 18.744 1.00 0.00 O ATOM 186 CB VAL A 15 -22.134 3.300 21.203 1.00 0.00 C ATOM 187 CG1 VAL A 15 -21.536 4.154 22.310 1.00 0.00 C ATOM 188 CG2 VAL A 15 -23.471 2.715 21.634 1.00 0.00 C ATOM 0 H VAL A 15 -24.209 4.898 20.295 1.00 0.00 H new ATOM 0 HA VAL A 15 -21.344 4.588 19.661 1.00 0.00 H new ATOM 0 HB VAL A 15 -21.449 2.476 21.002 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -21.428 3.554 23.214 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.558 4.521 21.998 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -22.193 5.000 22.512 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -23.337 2.135 22.547 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -24.179 3.523 21.818 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -23.856 2.067 20.846 1.00 0.00 H new ATOM 198 N HIS A 16 -21.801 2.943 17.854 1.00 0.00 N ATOM 199 CA HIS A 16 -22.078 2.070 16.719 1.00 0.00 C ATOM 200 C HIS A 16 -20.787 1.480 16.160 1.00 0.00 C ATOM 201 O HIS A 16 -19.737 2.121 16.186 1.00 0.00 O ATOM 202 CB HIS A 16 -22.817 2.841 15.624 1.00 0.00 C ATOM 203 CG HIS A 16 -21.921 3.707 14.793 1.00 0.00 C ATOM 204 ND1 HIS A 16 -20.878 4.495 15.143 1.00 0.00 N flip ATOM 205 CD2 HIS A 16 -22.053 3.832 13.426 1.00 0.00 C flip ATOM 206 CE1 HIS A 16 -20.402 5.075 13.993 1.00 0.00 C flip ATOM 207 NE2 HIS A 16 -21.128 4.658 12.971 1.00 0.00 N flip ATOM 0 H HIS A 16 -20.857 3.330 17.868 1.00 0.00 H new ATOM 0 HA HIS A 16 -22.710 1.252 17.066 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -23.328 2.132 14.973 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -23.585 3.463 16.084 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.796 3.333 12.822 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -19.570 5.761 13.934 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -20.997 4.928 11.996 1.00 0.00 H new ATOM 216 N GLY A 17 -20.873 0.253 15.654 1.00 0.00 N ATOM 217 CA GLY A 17 -19.704 -0.403 15.096 1.00 0.00 C ATOM 218 C GLY A 17 -20.011 -1.134 13.805 1.00 0.00 C ATOM 219 O GLY A 17 -20.510 -0.540 12.850 1.00 0.00 O ATOM 0 H GLY A 17 -21.731 -0.298 15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.927 0.339 14.914 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.305 -1.109 15.824 1.00 0.00 H new ATOM 223 N GLY A 18 -19.711 -2.429 13.774 1.00 0.00 N ATOM 224 CA GLY A 18 -19.963 -3.221 12.585 1.00 0.00 C ATOM 225 C GLY A 18 -21.321 -3.895 12.614 1.00 0.00 C ATOM 226 O GLY A 18 -21.414 -5.121 12.563 1.00 0.00 O ATOM 0 H GLY A 18 -19.298 -2.944 14.552 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.897 -2.581 11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.186 -3.979 12.486 1.00 0.00 H new ATOM 230 N ALA A 19 -22.377 -3.092 12.698 1.00 0.00 N ATOM 231 CA ALA A 19 -23.736 -3.618 12.734 1.00 0.00 C ATOM 232 C ALA A 19 -24.360 -3.622 11.342 1.00 0.00 C ATOM 233 O ALA A 19 -25.578 -3.714 11.198 1.00 0.00 O ATOM 234 CB ALA A 19 -24.590 -2.806 13.696 1.00 0.00 C ATOM 0 H ALA A 19 -22.317 -2.075 12.742 1.00 0.00 H new ATOM 0 HA ALA A 19 -23.692 -4.649 13.086 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -25.602 -3.210 13.713 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -24.161 -2.859 14.697 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -24.619 -1.767 13.368 1.00 0.00 H new ATOM 240 N GLY A 20 -23.516 -3.520 10.320 1.00 0.00 N ATOM 241 CA GLY A 20 -24.004 -3.512 8.953 1.00 0.00 C ATOM 242 C GLY A 20 -24.321 -4.904 8.443 1.00 0.00 C ATOM 243 O GLY A 20 -24.427 -5.850 9.224 1.00 0.00 O ATOM 0 H GLY A 20 -22.503 -3.443 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -24.900 -2.894 8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -23.256 -3.053 8.306 1.00 0.00 H new ATOM 247 N SER A 21 -24.474 -5.030 7.129 1.00 0.00 N ATOM 248 CA SER A 21 -24.787 -6.316 6.516 1.00 0.00 C ATOM 249 C SER A 21 -23.998 -6.508 5.224 1.00 0.00 C ATOM 250 O SER A 21 -24.281 -5.870 4.210 1.00 0.00 O ATOM 251 CB SER A 21 -26.286 -6.418 6.231 1.00 0.00 C ATOM 252 OG SER A 21 -26.680 -7.766 6.044 1.00 0.00 O ATOM 0 H SER A 21 -24.386 -4.258 6.468 1.00 0.00 H new ATOM 0 HA SER A 21 -24.503 -7.102 7.215 1.00 0.00 H new ATOM 0 HB2 SER A 21 -26.847 -5.984 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 21 -26.530 -5.838 5.341 1.00 0.00 H new ATOM 0 HG SER A 21 -27.643 -7.804 5.865 1.00 0.00 H new ATOM 258 N ALA A 22 -23.006 -7.392 5.270 1.00 0.00 N ATOM 259 CA ALA A 22 -22.177 -7.670 4.104 1.00 0.00 C ATOM 260 C ALA A 22 -21.595 -9.078 4.168 1.00 0.00 C ATOM 261 O ALA A 22 -20.758 -9.375 5.019 1.00 0.00 O ATOM 262 CB ALA A 22 -21.062 -6.641 3.992 1.00 0.00 C ATOM 0 H ALA A 22 -22.757 -7.927 6.102 1.00 0.00 H new ATOM 0 HA ALA A 22 -22.807 -7.605 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.451 -6.861 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.494 -5.645 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.441 -6.679 4.887 1.00 0.00 H new ATOM 268 N GLN A 23 -22.046 -9.941 3.262 1.00 0.00 N ATOM 269 CA GLN A 23 -21.570 -11.319 3.218 1.00 0.00 C ATOM 270 C GLN A 23 -21.095 -11.685 1.816 1.00 0.00 C ATOM 271 O GLN A 23 -21.509 -11.076 0.830 1.00 0.00 O ATOM 272 CB GLN A 23 -22.677 -12.277 3.661 1.00 0.00 C ATOM 273 CG GLN A 23 -22.157 -13.600 4.200 1.00 0.00 C ATOM 274 CD GLN A 23 -23.104 -14.237 5.197 1.00 0.00 C ATOM 275 OE1 GLN A 23 -22.924 -14.113 6.409 1.00 0.00 O ATOM 276 NE2 GLN A 23 -24.122 -14.924 4.692 1.00 0.00 N ATOM 0 H GLN A 23 -22.739 -9.711 2.550 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.727 -11.409 3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -23.279 -11.793 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -23.337 -12.473 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.994 -14.287 3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.189 -13.439 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -24.234 -15.001 3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.792 -15.374 5.315 1.00 0.00 H new ATOM 285 N ARG A 24 -20.222 -12.684 1.735 1.00 0.00 N ATOM 286 CA ARG A 24 -19.688 -13.131 0.454 1.00 0.00 C ATOM 287 C ARG A 24 -18.919 -12.008 -0.236 1.00 0.00 C ATOM 288 O ARG A 24 -19.033 -11.817 -1.446 1.00 0.00 O ATOM 289 CB ARG A 24 -20.821 -13.619 -0.452 1.00 0.00 C ATOM 290 CG ARG A 24 -21.452 -14.922 0.011 1.00 0.00 C ATOM 291 CD ARG A 24 -22.624 -14.672 0.946 1.00 0.00 C ATOM 292 NE ARG A 24 -23.886 -14.548 0.221 1.00 0.00 N ATOM 293 CZ ARG A 24 -24.646 -15.585 -0.114 1.00 0.00 C ATOM 294 NH1 ARG A 24 -24.273 -16.816 0.209 1.00 0.00 N ATOM 295 NH2 ARG A 24 -25.781 -15.392 -0.774 1.00 0.00 N ATOM 0 H ARG A 24 -19.869 -13.199 2.542 1.00 0.00 H new ATOM 0 HA ARG A 24 -19.001 -13.956 0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -21.592 -12.850 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -20.435 -13.751 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -21.791 -15.491 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -20.703 -15.530 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -22.697 -15.490 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -22.444 -13.762 1.518 1.00 0.00 H new ATOM 0 HE ARG A 24 -24.201 -13.614 -0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -23.401 -16.968 0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -24.858 -17.611 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -26.071 -14.447 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.364 -16.189 -1.031 1.00 0.00 H new ATOM 309 N MET A 25 -18.137 -11.268 0.543 1.00 0.00 N ATOM 310 CA MET A 25 -17.348 -10.165 0.007 1.00 0.00 C ATOM 311 C MET A 25 -15.987 -10.086 0.691 1.00 0.00 C ATOM 312 O MET A 25 -15.819 -10.496 1.840 1.00 0.00 O ATOM 313 CB MET A 25 -18.097 -8.842 0.182 1.00 0.00 C ATOM 314 CG MET A 25 -18.059 -8.306 1.604 1.00 0.00 C ATOM 315 SD MET A 25 -18.771 -9.453 2.798 1.00 0.00 S ATOM 316 CE MET A 25 -17.590 -9.323 4.139 1.00 0.00 C ATOM 0 H MET A 25 -18.033 -11.412 1.547 1.00 0.00 H new ATOM 0 HA MET A 25 -17.190 -10.348 -1.056 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.667 -8.099 -0.489 1.00 0.00 H new ATOM 0 HB3 MET A 25 -19.136 -8.979 -0.118 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.026 -8.094 1.881 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.600 -7.361 1.646 1.00 0.00 H new ATOM 0 HE1 MET A 25 -17.468 -10.297 4.612 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.630 -8.987 3.747 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.953 -8.606 4.875 1.00 0.00 H new ATOM 326 N PRO A 26 -14.992 -9.548 -0.029 1.00 0.00 N ATOM 327 CA PRO A 26 -13.628 -9.403 0.489 1.00 0.00 C ATOM 328 C PRO A 26 -13.535 -8.350 1.588 1.00 0.00 C ATOM 329 O PRO A 26 -14.258 -7.353 1.569 1.00 0.00 O ATOM 330 CB PRO A 26 -12.826 -8.967 -0.740 1.00 0.00 C ATOM 331 CG PRO A 26 -13.824 -8.312 -1.631 1.00 0.00 C ATOM 332 CD PRO A 26 -15.121 -9.039 -1.405 1.00 0.00 C ATOM 0 HA PRO A 26 -13.265 -10.324 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.027 -8.278 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.358 -9.820 -1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.924 -7.253 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.517 -8.377 -2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.978 -8.373 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.258 -9.849 -2.122 1.00 0.00 H new ATOM 340 N LEU A 27 -12.640 -8.576 2.543 1.00 0.00 N ATOM 341 CA LEU A 27 -12.451 -7.646 3.650 1.00 0.00 C ATOM 342 C LEU A 27 -11.259 -6.729 3.394 1.00 0.00 C ATOM 343 O LEU A 27 -10.128 -7.192 3.239 1.00 0.00 O ATOM 344 CB LEU A 27 -12.247 -8.413 4.958 1.00 0.00 C ATOM 345 CG LEU A 27 -12.860 -7.783 6.209 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.278 -6.398 6.448 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.375 -7.712 6.083 1.00 0.00 C ATOM 0 H LEU A 27 -12.034 -9.396 2.573 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.348 -7.032 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.664 -9.413 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.176 -8.532 5.123 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.616 -8.411 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.726 -5.965 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.199 -6.475 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.492 -5.761 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.794 -7.261 6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.640 -7.107 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.777 -8.718 5.960 1.00 0.00 H new ATOM 359 N CYS A 28 -11.519 -5.427 3.353 1.00 0.00 N ATOM 360 CA CYS A 28 -10.468 -4.444 3.118 1.00 0.00 C ATOM 361 C CYS A 28 -9.308 -4.645 4.088 1.00 0.00 C ATOM 362 O CYS A 28 -9.485 -4.588 5.305 1.00 0.00 O ATOM 363 CB CYS A 28 -11.026 -3.026 3.260 1.00 0.00 C ATOM 364 SG CYS A 28 -9.881 -1.718 2.716 1.00 0.00 S ATOM 0 H CYS A 28 -12.449 -5.028 3.480 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.097 -4.582 2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.948 -2.950 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.288 -2.853 4.304 1.00 0.00 H new ATOM 369 N ASP A 29 -8.121 -4.881 3.540 1.00 0.00 N ATOM 370 CA ASP A 29 -6.930 -5.090 4.356 1.00 0.00 C ATOM 371 C ASP A 29 -6.378 -3.761 4.862 1.00 0.00 C ATOM 372 O ASP A 29 -5.343 -3.719 5.527 1.00 0.00 O ATOM 373 CB ASP A 29 -5.858 -5.828 3.552 1.00 0.00 C ATOM 374 CG ASP A 29 -4.793 -6.444 4.438 1.00 0.00 C ATOM 375 OD1 ASP A 29 -3.884 -5.707 4.873 1.00 0.00 O ATOM 376 OD2 ASP A 29 -4.869 -7.664 4.695 1.00 0.00 O ATOM 0 H ASP A 29 -7.958 -4.932 2.534 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.211 -5.698 5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.329 -6.610 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.389 -5.134 2.854 1.00 0.00 H new ATOM 381 N LYS A 30 -7.075 -2.676 4.541 1.00 0.00 N ATOM 382 CA LYS A 30 -6.657 -1.344 4.963 1.00 0.00 C ATOM 383 C LYS A 30 -7.424 -0.900 6.204 1.00 0.00 C ATOM 384 O LYS A 30 -6.828 -0.544 7.220 1.00 0.00 O ATOM 385 CB LYS A 30 -6.870 -0.338 3.830 1.00 0.00 C ATOM 386 CG LYS A 30 -6.440 1.076 4.183 1.00 0.00 C ATOM 387 CD LYS A 30 -5.042 1.377 3.670 1.00 0.00 C ATOM 388 CE LYS A 30 -4.524 2.702 4.209 1.00 0.00 C ATOM 389 NZ LYS A 30 -5.252 3.861 3.623 1.00 0.00 N ATOM 0 H LYS A 30 -7.933 -2.693 3.989 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.596 -1.384 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.315 -0.669 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.925 -0.330 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.146 1.789 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.468 1.207 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.365 0.574 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.051 1.405 2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.628 2.718 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.460 2.793 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.646 4.705 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.499 3.652 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.121 4.037 4.167 1.00 0.00 H new ATOM 403 N CYS A 31 -8.750 -0.925 6.114 1.00 0.00 N ATOM 404 CA CYS A 31 -9.600 -0.526 7.230 1.00 0.00 C ATOM 405 C CYS A 31 -10.375 -1.721 7.777 1.00 0.00 C ATOM 406 O CYS A 31 -11.317 -1.560 8.552 1.00 0.00 O ATOM 407 CB CYS A 31 -10.573 0.570 6.790 1.00 0.00 C ATOM 408 SG CYS A 31 -11.811 0.020 5.572 1.00 0.00 S ATOM 0 H CYS A 31 -9.259 -1.217 5.280 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.960 -0.137 8.022 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.090 0.956 7.669 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.004 1.397 6.366 1.00 0.00 H new ATOM 413 N GLY A 32 -9.971 -2.919 7.367 1.00 0.00 N ATOM 414 CA GLY A 32 -10.639 -4.124 7.826 1.00 0.00 C ATOM 415 C GLY A 32 -12.143 -3.959 7.905 1.00 0.00 C ATOM 416 O GLY A 32 -12.764 -4.327 8.903 1.00 0.00 O ATOM 0 H GLY A 32 -9.194 -3.077 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.402 -4.947 7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.254 -4.397 8.809 1.00 0.00 H new ATOM 420 N SER A 33 -12.732 -3.401 6.852 1.00 0.00 N ATOM 421 CA SER A 33 -14.173 -3.182 6.809 1.00 0.00 C ATOM 422 C SER A 33 -14.789 -3.860 5.588 1.00 0.00 C ATOM 423 O SER A 33 -14.311 -3.696 4.466 1.00 0.00 O ATOM 424 CB SER A 33 -14.483 -1.684 6.785 1.00 0.00 C ATOM 425 OG SER A 33 -15.718 -1.409 7.423 1.00 0.00 O ATOM 0 H SER A 33 -12.233 -3.092 6.017 1.00 0.00 H new ATOM 0 HA SER A 33 -14.609 -3.621 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.683 -1.136 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.517 -1.333 5.754 1.00 0.00 H new ATOM 0 HG SER A 33 -15.893 -0.445 7.396 1.00 0.00 H new ATOM 431 N GLY A 34 -15.854 -4.622 5.816 1.00 0.00 N ATOM 432 CA GLY A 34 -16.518 -5.314 4.727 1.00 0.00 C ATOM 433 C GLY A 34 -16.601 -4.471 3.470 1.00 0.00 C ATOM 434 O GLY A 34 -16.816 -3.260 3.539 1.00 0.00 O ATOM 0 H GLY A 34 -16.269 -4.773 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.982 -6.237 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.524 -5.596 5.039 1.00 0.00 H new ATOM 438 N ILE A 35 -16.427 -5.111 2.318 1.00 0.00 N ATOM 439 CA ILE A 35 -16.483 -4.411 1.041 1.00 0.00 C ATOM 440 C ILE A 35 -17.713 -4.824 0.241 1.00 0.00 C ATOM 441 O ILE A 35 -17.970 -6.013 0.045 1.00 0.00 O ATOM 442 CB ILE A 35 -15.222 -4.679 0.198 1.00 0.00 C ATOM 443 CG1 ILE A 35 -13.967 -4.283 0.978 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.295 -3.920 -1.119 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.706 -4.949 0.472 1.00 0.00 C ATOM 0 H ILE A 35 -16.246 -6.112 2.243 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.541 -3.346 1.266 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.169 -5.745 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.843 -3.201 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.106 -4.538 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.397 -4.119 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.172 -4.245 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.368 -2.851 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.856 -4.622 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.810 -6.031 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.542 -4.674 -0.570 1.00 0.00 H new ATOM 457 N VAL A 36 -18.471 -3.835 -0.222 1.00 0.00 N ATOM 458 CA VAL A 36 -19.674 -4.096 -1.004 1.00 0.00 C ATOM 459 C VAL A 36 -20.042 -2.891 -1.863 1.00 0.00 C ATOM 460 O VAL A 36 -20.237 -1.788 -1.354 1.00 0.00 O ATOM 461 CB VAL A 36 -20.867 -4.450 -0.098 1.00 0.00 C ATOM 462 CG1 VAL A 36 -21.011 -3.427 1.019 1.00 0.00 C ATOM 463 CG2 VAL A 36 -22.147 -4.543 -0.915 1.00 0.00 C ATOM 0 H VAL A 36 -18.273 -2.846 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.454 -4.946 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 36 -20.681 -5.424 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -21.859 -3.694 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.102 -3.414 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -21.175 -2.439 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -22.980 -4.794 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -22.341 -3.585 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -22.038 -5.317 -1.675 1.00 0.00 H new ATOM 473 N GLY A 37 -20.135 -3.110 -3.172 1.00 0.00 N ATOM 474 CA GLY A 37 -20.480 -2.033 -4.081 1.00 0.00 C ATOM 475 C GLY A 37 -19.335 -1.664 -5.003 1.00 0.00 C ATOM 476 O GLY A 37 -19.511 -1.574 -6.218 1.00 0.00 O ATOM 0 H GLY A 37 -19.978 -4.014 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.343 -2.328 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.776 -1.156 -3.505 1.00 0.00 H new ATOM 480 N ALA A 38 -18.158 -1.447 -4.425 1.00 0.00 N ATOM 481 CA ALA A 38 -16.980 -1.085 -5.202 1.00 0.00 C ATOM 482 C ALA A 38 -15.700 -1.495 -4.482 1.00 0.00 C ATOM 483 O ALA A 38 -15.486 -1.139 -3.323 1.00 0.00 O ATOM 484 CB ALA A 38 -16.973 0.410 -5.485 1.00 0.00 C ATOM 0 H ALA A 38 -17.995 -1.516 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.021 -1.623 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.087 0.666 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.867 0.678 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.960 0.959 -4.543 1.00 0.00 H new ATOM 490 N VAL A 39 -14.851 -2.246 -5.176 1.00 0.00 N ATOM 491 CA VAL A 39 -13.591 -2.705 -4.603 1.00 0.00 C ATOM 492 C VAL A 39 -12.455 -2.598 -5.615 1.00 0.00 C ATOM 493 O VAL A 39 -12.690 -2.511 -6.820 1.00 0.00 O ATOM 494 CB VAL A 39 -13.693 -4.162 -4.115 1.00 0.00 C ATOM 495 CG1 VAL A 39 -13.336 -5.127 -5.236 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.799 -4.383 -2.905 1.00 0.00 C ATOM 0 H VAL A 39 -15.013 -2.550 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.378 -2.059 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.723 -4.355 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.414 -6.152 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -14.022 -4.985 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.316 -4.937 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.884 -5.418 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.764 -4.172 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.107 -3.718 -2.098 1.00 0.00 H new ATOM 506 N VAL A 40 -11.223 -2.605 -5.116 1.00 0.00 N ATOM 507 CA VAL A 40 -10.050 -2.510 -5.976 1.00 0.00 C ATOM 508 C VAL A 40 -9.008 -3.558 -5.601 1.00 0.00 C ATOM 509 O VAL A 40 -8.275 -3.399 -4.625 1.00 0.00 O ATOM 510 CB VAL A 40 -9.408 -1.112 -5.898 1.00 0.00 C ATOM 511 CG1 VAL A 40 -8.127 -1.066 -6.717 1.00 0.00 C ATOM 512 CG2 VAL A 40 -10.389 -0.049 -6.368 1.00 0.00 C ATOM 0 H VAL A 40 -11.012 -2.675 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.390 -2.688 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.154 -0.905 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.688 -0.071 -6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.421 -1.801 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.353 -1.293 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.919 0.933 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.676 -0.250 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.276 -0.067 -5.735 1.00 0.00 H new ATOM 522 N LYS A 41 -8.946 -4.629 -6.384 1.00 0.00 N ATOM 523 CA LYS A 41 -7.992 -5.704 -6.137 1.00 0.00 C ATOM 524 C LYS A 41 -6.852 -5.663 -7.150 1.00 0.00 C ATOM 525 O LYS A 41 -7.083 -5.670 -8.359 1.00 0.00 O ATOM 526 CB LYS A 41 -8.695 -7.062 -6.199 1.00 0.00 C ATOM 527 CG LYS A 41 -7.796 -8.191 -6.672 1.00 0.00 C ATOM 528 CD LYS A 41 -8.606 -9.370 -7.185 1.00 0.00 C ATOM 529 CE LYS A 41 -7.707 -10.523 -7.605 1.00 0.00 C ATOM 530 NZ LYS A 41 -7.190 -10.347 -8.990 1.00 0.00 N ATOM 0 H LYS A 41 -9.546 -4.776 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.574 -5.563 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.082 -7.307 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.553 -6.988 -6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.139 -7.828 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.157 -8.517 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.292 -9.707 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.214 -9.054 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.869 -10.601 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.263 -11.459 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.609 -11.068 -9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.444 -9.400 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.155 -10.450 -8.990 1.00 0.00 H new ATOM 544 N ALA A 42 -5.622 -5.623 -6.648 1.00 0.00 N ATOM 545 CA ALA A 42 -4.447 -5.585 -7.510 1.00 0.00 C ATOM 546 C ALA A 42 -4.094 -6.978 -8.019 1.00 0.00 C ATOM 547 O ALA A 42 -4.435 -7.342 -9.145 1.00 0.00 O ATOM 548 CB ALA A 42 -3.266 -4.979 -6.765 1.00 0.00 C ATOM 0 H ALA A 42 -5.414 -5.616 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.679 -4.960 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.395 -4.957 -7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.513 -3.964 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.043 -5.582 -5.885 1.00 0.00 H new ATOM 554 N ARG A 43 -3.410 -7.754 -7.184 1.00 0.00 N ATOM 555 CA ARG A 43 -3.011 -9.107 -7.551 1.00 0.00 C ATOM 556 C ARG A 43 -3.960 -10.137 -6.947 1.00 0.00 C ATOM 557 O ARG A 43 -4.829 -10.674 -7.634 1.00 0.00 O ATOM 558 CB ARG A 43 -1.579 -9.382 -7.087 1.00 0.00 C ATOM 559 CG ARG A 43 -0.824 -10.352 -7.981 1.00 0.00 C ATOM 560 CD ARG A 43 0.665 -10.347 -7.675 1.00 0.00 C ATOM 561 NE ARG A 43 1.449 -10.923 -8.765 1.00 0.00 N ATOM 562 CZ ARG A 43 1.948 -10.208 -9.768 1.00 0.00 C ATOM 563 NH1 ARG A 43 1.746 -8.899 -9.819 1.00 0.00 N ATOM 564 NH2 ARG A 43 2.652 -10.804 -10.723 1.00 0.00 N ATOM 0 H ARG A 43 -3.121 -7.468 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.057 -9.191 -8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.033 -8.440 -7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.605 -9.781 -6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.221 -11.358 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.983 -10.085 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.994 -9.324 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.849 -10.909 -6.759 1.00 0.00 H new ATOM 0 HE ARG A 43 1.623 -11.928 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.206 -8.437 -9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.130 -8.353 -10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.810 -11.811 -10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.035 -10.255 -11.493 1.00 0.00 H new ATOM 578 N ASP A 44 -3.787 -10.408 -5.658 1.00 0.00 N ATOM 579 CA ASP A 44 -4.629 -11.374 -4.960 1.00 0.00 C ATOM 580 C ASP A 44 -5.389 -10.707 -3.819 1.00 0.00 C ATOM 581 O ASP A 44 -6.443 -11.185 -3.397 1.00 0.00 O ATOM 582 CB ASP A 44 -3.780 -12.526 -4.420 1.00 0.00 C ATOM 583 CG ASP A 44 -2.834 -13.087 -5.463 1.00 0.00 C ATOM 584 OD1 ASP A 44 -3.305 -13.818 -6.360 1.00 0.00 O ATOM 585 OD2 ASP A 44 -1.623 -12.794 -5.384 1.00 0.00 O ATOM 0 H ASP A 44 -3.072 -9.973 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.353 -11.770 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.205 -12.178 -3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.436 -13.321 -4.064 1.00 0.00 H new ATOM 590 N LYS A 45 -4.849 -9.600 -3.321 1.00 0.00 N ATOM 591 CA LYS A 45 -5.475 -8.866 -2.228 1.00 0.00 C ATOM 592 C LYS A 45 -6.517 -7.886 -2.758 1.00 0.00 C ATOM 593 O LYS A 45 -6.563 -7.600 -3.955 1.00 0.00 O ATOM 594 CB LYS A 45 -4.417 -8.113 -1.419 1.00 0.00 C ATOM 595 CG LYS A 45 -3.768 -8.955 -0.334 1.00 0.00 C ATOM 596 CD LYS A 45 -3.349 -8.107 0.855 1.00 0.00 C ATOM 597 CE LYS A 45 -2.178 -7.201 0.508 1.00 0.00 C ATOM 598 NZ LYS A 45 -1.506 -6.672 1.727 1.00 0.00 N ATOM 0 H LYS A 45 -3.977 -9.191 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.974 -9.586 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.644 -7.750 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.877 -7.237 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.465 -9.726 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.896 -9.467 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.193 -7.502 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.075 -8.755 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.457 -7.754 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.531 -6.369 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.878 -5.886 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.223 -6.332 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.947 -7.428 2.171 1.00 0.00 H new ATOM 612 N TYR A 46 -7.351 -7.373 -1.860 1.00 0.00 N ATOM 613 CA TYR A 46 -8.393 -6.426 -2.237 1.00 0.00 C ATOM 614 C TYR A 46 -8.332 -5.174 -1.367 1.00 0.00 C ATOM 615 O TYR A 46 -7.964 -5.237 -0.194 1.00 0.00 O ATOM 616 CB TYR A 46 -9.772 -7.077 -2.117 1.00 0.00 C ATOM 617 CG TYR A 46 -9.916 -8.345 -2.929 1.00 0.00 C ATOM 618 CD1 TYR A 46 -9.123 -9.455 -2.666 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.844 -8.432 -3.959 1.00 0.00 C ATOM 620 CE1 TYR A 46 -9.250 -10.615 -3.405 1.00 0.00 C ATOM 621 CE2 TYR A 46 -10.979 -9.588 -4.703 1.00 0.00 C ATOM 622 CZ TYR A 46 -10.180 -10.676 -4.422 1.00 0.00 C ATOM 623 OH TYR A 46 -10.311 -11.830 -5.162 1.00 0.00 O ATOM 0 H TYR A 46 -7.325 -7.597 -0.865 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.225 -6.135 -3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.968 -7.303 -1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.531 -6.363 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.395 -9.410 -1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.471 -7.581 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.625 -11.469 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.706 -9.639 -5.500 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.010 -11.708 -5.838 1.00 0.00 H new ATOM 633 N ARG A 47 -8.697 -4.037 -1.952 1.00 0.00 N ATOM 634 CA ARG A 47 -8.683 -2.770 -1.232 1.00 0.00 C ATOM 635 C ARG A 47 -9.808 -1.859 -1.714 1.00 0.00 C ATOM 636 O ARG A 47 -10.139 -1.837 -2.900 1.00 0.00 O ATOM 637 CB ARG A 47 -7.334 -2.071 -1.412 1.00 0.00 C ATOM 638 CG ARG A 47 -6.153 -2.889 -0.916 1.00 0.00 C ATOM 639 CD ARG A 47 -5.832 -2.580 0.538 1.00 0.00 C ATOM 640 NE ARG A 47 -4.652 -3.304 1.003 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.421 -2.809 0.958 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.209 -1.594 0.471 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.398 -3.529 1.401 1.00 0.00 N ATOM 0 H ARG A 47 -9.006 -3.968 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.837 -2.981 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.190 -1.844 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.354 -1.119 -0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.374 -3.951 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.280 -2.681 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.669 -1.508 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.687 -2.841 1.162 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.781 -4.242 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.993 -1.037 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.262 -1.216 0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.557 -4.464 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.453 -3.148 1.366 1.00 0.00 H new ATOM 657 N HIS A 48 -10.394 -1.108 -0.786 1.00 0.00 N ATOM 658 CA HIS A 48 -11.482 -0.195 -1.116 1.00 0.00 C ATOM 659 C HIS A 48 -11.061 0.779 -2.213 1.00 0.00 C ATOM 660 O HIS A 48 -9.876 0.963 -2.492 1.00 0.00 O ATOM 661 CB HIS A 48 -11.922 0.579 0.127 1.00 0.00 C ATOM 662 CG HIS A 48 -12.991 -0.113 0.916 1.00 0.00 C ATOM 663 ND1 HIS A 48 -12.986 -0.180 2.293 1.00 0.00 N ATOM 664 CD2 HIS A 48 -14.104 -0.770 0.513 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.049 -0.849 2.703 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.744 -1.217 1.642 1.00 0.00 N ATOM 0 H HIS A 48 -10.133 -1.114 0.200 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.321 -0.787 -1.482 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.056 0.742 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.284 1.562 -0.176 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.428 -0.915 -0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.306 -1.059 3.731 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.615 -1.747 1.659 1.00 0.00 H new ATOM 674 N PRO A 49 -12.053 1.417 -2.851 1.00 0.00 N ATOM 675 CA PRO A 49 -11.809 2.382 -3.928 1.00 0.00 C ATOM 676 C PRO A 49 -11.175 3.672 -3.418 1.00 0.00 C ATOM 677 O PRO A 49 -10.729 4.507 -4.203 1.00 0.00 O ATOM 678 CB PRO A 49 -13.209 2.657 -4.481 1.00 0.00 C ATOM 679 CG PRO A 49 -14.129 2.364 -3.347 1.00 0.00 C ATOM 680 CD PRO A 49 -13.488 1.247 -2.571 1.00 0.00 C ATOM 0 HA PRO A 49 -11.110 1.996 -4.670 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.307 3.690 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.426 2.023 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.268 3.245 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.114 2.072 -3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.701 1.324 -1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.849 0.272 -2.898 1.00 0.00 H new ATOM 688 N GLU A 50 -11.139 3.827 -2.098 1.00 0.00 N ATOM 689 CA GLU A 50 -10.560 5.016 -1.484 1.00 0.00 C ATOM 690 C GLU A 50 -9.362 4.650 -0.613 1.00 0.00 C ATOM 691 O GLU A 50 -8.454 5.457 -0.415 1.00 0.00 O ATOM 692 CB GLU A 50 -11.610 5.747 -0.645 1.00 0.00 C ATOM 693 CG GLU A 50 -11.970 5.025 0.643 1.00 0.00 C ATOM 694 CD GLU A 50 -13.225 5.578 1.290 1.00 0.00 C ATOM 695 OE1 GLU A 50 -13.131 6.623 1.968 1.00 0.00 O ATOM 696 OE2 GLU A 50 -14.300 4.966 1.120 1.00 0.00 O ATOM 0 H GLU A 50 -11.504 3.144 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.219 5.676 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.240 6.743 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.512 5.879 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.111 3.965 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.139 5.104 1.344 1.00 0.00 H new ATOM 703 N CYS A 51 -9.367 3.426 -0.094 1.00 0.00 N ATOM 704 CA CYS A 51 -8.282 2.952 0.757 1.00 0.00 C ATOM 705 C CYS A 51 -7.020 2.698 -0.062 1.00 0.00 C ATOM 706 O CYS A 51 -5.904 2.886 0.423 1.00 0.00 O ATOM 707 CB CYS A 51 -8.699 1.671 1.483 1.00 0.00 C ATOM 708 SG CYS A 51 -9.964 1.923 2.769 1.00 0.00 S ATOM 0 H CYS A 51 -10.110 2.745 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.066 3.726 1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.078 0.958 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.817 1.221 1.939 1.00 0.00 H new ATOM 713 N PHE A 52 -7.205 2.269 -1.306 1.00 0.00 N ATOM 714 CA PHE A 52 -6.082 1.988 -2.193 1.00 0.00 C ATOM 715 C PHE A 52 -5.130 3.179 -2.258 1.00 0.00 C ATOM 716 O PHE A 52 -5.401 4.169 -2.938 1.00 0.00 O ATOM 717 CB PHE A 52 -6.586 1.646 -3.596 1.00 0.00 C ATOM 718 CG PHE A 52 -5.728 0.643 -4.313 1.00 0.00 C ATOM 719 CD1 PHE A 52 -5.355 -0.539 -3.693 1.00 0.00 C ATOM 720 CD2 PHE A 52 -5.294 0.882 -5.607 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.565 -1.463 -4.350 1.00 0.00 C ATOM 722 CE2 PHE A 52 -4.504 -0.039 -6.270 1.00 0.00 C ATOM 723 CZ PHE A 52 -4.140 -1.213 -5.641 1.00 0.00 C ATOM 0 H PHE A 52 -8.122 2.108 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.539 1.132 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.602 1.258 -3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.635 2.560 -4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.686 -0.740 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.576 1.799 -6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.280 -2.380 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.172 0.160 -7.278 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.524 -1.935 -6.157 1.00 0.00 H new ATOM 733 N VAL A 53 -4.012 3.076 -1.546 1.00 0.00 N ATOM 734 CA VAL A 53 -3.019 4.143 -1.522 1.00 0.00 C ATOM 735 C VAL A 53 -1.667 3.625 -1.044 1.00 0.00 C ATOM 736 O VAL A 53 -1.539 2.467 -0.646 1.00 0.00 O ATOM 737 CB VAL A 53 -3.463 5.303 -0.613 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.810 5.850 -1.063 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.521 4.851 0.839 1.00 0.00 C ATOM 0 H VAL A 53 -3.771 2.264 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.924 4.509 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.728 6.104 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.107 6.669 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.731 6.214 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.558 5.059 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.837 5.684 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.234 4.032 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.534 4.513 1.154 1.00 0.00 H new ATOM 749 N CYS A 54 -0.660 4.491 -1.084 1.00 0.00 N ATOM 750 CA CYS A 54 0.683 4.122 -0.654 1.00 0.00 C ATOM 751 C CYS A 54 0.744 3.960 0.862 1.00 0.00 C ATOM 752 O CYS A 54 -0.192 4.322 1.573 1.00 0.00 O ATOM 753 CB CYS A 54 1.694 5.179 -1.107 1.00 0.00 C ATOM 754 SG CYS A 54 3.433 4.665 -0.937 1.00 0.00 S ATOM 0 H CYS A 54 -0.749 5.453 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 54 0.935 3.166 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.500 5.428 -2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.537 6.089 -0.528 1.00 0.00 H new ATOM 759 N ALA A 55 1.854 3.414 1.349 1.00 0.00 N ATOM 760 CA ALA A 55 2.039 3.207 2.780 1.00 0.00 C ATOM 761 C ALA A 55 3.003 4.233 3.363 1.00 0.00 C ATOM 762 O ALA A 55 3.163 4.327 4.580 1.00 0.00 O ATOM 763 CB ALA A 55 2.541 1.796 3.047 1.00 0.00 C ATOM 0 H ALA A 55 2.638 3.107 0.773 1.00 0.00 H new ATOM 0 HA ALA A 55 1.074 3.337 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.675 1.654 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.814 1.075 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.494 1.647 2.539 1.00 0.00 H new ATOM 769 N ASP A 56 3.643 5.001 2.488 1.00 0.00 N ATOM 770 CA ASP A 56 4.592 6.022 2.918 1.00 0.00 C ATOM 771 C ASP A 56 4.026 7.420 2.690 1.00 0.00 C ATOM 772 O ASP A 56 4.193 8.312 3.522 1.00 0.00 O ATOM 773 CB ASP A 56 5.916 5.866 2.167 1.00 0.00 C ATOM 774 CG ASP A 56 7.087 6.451 2.932 1.00 0.00 C ATOM 775 OD1 ASP A 56 6.966 6.620 4.163 1.00 0.00 O ATOM 776 OD2 ASP A 56 8.124 6.740 2.299 1.00 0.00 O ATOM 0 H ASP A 56 3.522 4.936 1.477 1.00 0.00 H new ATOM 0 HA ASP A 56 4.770 5.891 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.101 4.809 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.839 6.355 1.196 1.00 0.00 H new ATOM 781 N CYS A 57 3.355 7.604 1.558 1.00 0.00 N ATOM 782 CA CYS A 57 2.765 8.894 1.219 1.00 0.00 C ATOM 783 C CYS A 57 1.246 8.789 1.126 1.00 0.00 C ATOM 784 O CYS A 57 0.545 9.799 1.079 1.00 0.00 O ATOM 785 CB CYS A 57 3.334 9.407 -0.105 1.00 0.00 C ATOM 786 SG CYS A 57 3.128 8.253 -1.500 1.00 0.00 S ATOM 0 H CYS A 57 3.206 6.876 0.859 1.00 0.00 H new ATOM 0 HA CYS A 57 3.015 9.599 2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.850 10.352 -0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.396 9.617 0.025 1.00 0.00 H new ATOM 791 N ASN A 58 0.744 7.559 1.100 1.00 0.00 N ATOM 792 CA ASN A 58 -0.693 7.321 1.012 1.00 0.00 C ATOM 793 C ASN A 58 -1.264 7.913 -0.273 1.00 0.00 C ATOM 794 O ASN A 58 -2.323 8.542 -0.262 1.00 0.00 O ATOM 795 CB ASN A 58 -1.405 7.923 2.225 1.00 0.00 C ATOM 796 CG ASN A 58 -2.729 7.241 2.515 1.00 0.00 C ATOM 797 OD1 ASN A 58 -2.774 6.204 3.176 1.00 0.00 O ATOM 798 ND2 ASN A 58 -3.815 7.823 2.019 1.00 0.00 N ATOM 0 H ASN A 58 1.310 6.712 1.139 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.859 6.244 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.759 7.843 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.577 8.985 2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.734 7.410 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.730 8.683 1.476 1.00 0.00 H new ATOM 805 N LEU A 59 -0.557 7.706 -1.378 1.00 0.00 N ATOM 806 CA LEU A 59 -0.994 8.218 -2.673 1.00 0.00 C ATOM 807 C LEU A 59 -1.861 7.194 -3.399 1.00 0.00 C ATOM 808 O LEU A 59 -1.569 5.999 -3.386 1.00 0.00 O ATOM 809 CB LEU A 59 0.217 8.581 -3.534 1.00 0.00 C ATOM 810 CG LEU A 59 -0.087 9.028 -4.965 1.00 0.00 C ATOM 811 CD1 LEU A 59 -0.792 10.376 -4.964 1.00 0.00 C ATOM 812 CD2 LEU A 59 1.192 9.092 -5.786 1.00 0.00 C ATOM 0 H LEU A 59 0.321 7.188 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.591 9.114 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.767 9.379 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.879 7.716 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.751 8.295 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.000 10.678 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.728 10.296 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.153 11.120 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.957 9.412 -6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.881 9.804 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.656 8.106 -5.814 1.00 0.00 H new ATOM 824 N ASN A 60 -2.926 7.672 -4.034 1.00 0.00 N ATOM 825 CA ASN A 60 -3.834 6.798 -4.767 1.00 0.00 C ATOM 826 C ASN A 60 -3.075 5.962 -5.793 1.00 0.00 C ATOM 827 O ASN A 60 -2.527 6.492 -6.760 1.00 0.00 O ATOM 828 CB ASN A 60 -4.916 7.624 -5.467 1.00 0.00 C ATOM 829 CG ASN A 60 -6.084 7.940 -4.553 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.275 9.085 -4.144 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.872 6.922 -4.227 1.00 0.00 N ATOM 0 H ASN A 60 -3.181 8.659 -4.056 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.305 6.124 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.480 8.555 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.278 7.079 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.673 7.073 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.676 5.989 -4.589 1.00 0.00 H new ATOM 838 N LEU A 61 -3.048 4.651 -5.575 1.00 0.00 N ATOM 839 CA LEU A 61 -2.356 3.740 -6.480 1.00 0.00 C ATOM 840 C LEU A 61 -3.336 3.089 -7.451 1.00 0.00 C ATOM 841 O LEU A 61 -2.979 2.172 -8.191 1.00 0.00 O ATOM 842 CB LEU A 61 -1.618 2.662 -5.685 1.00 0.00 C ATOM 843 CG LEU A 61 -0.723 3.161 -4.549 1.00 0.00 C ATOM 844 CD1 LEU A 61 -0.206 1.993 -3.725 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.434 3.980 -5.102 1.00 0.00 C ATOM 0 H LEU A 61 -3.497 4.196 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.633 4.318 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.356 1.978 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.005 2.084 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.318 3.803 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.429 2.367 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.048 1.448 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.372 1.325 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.060 4.327 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.028 3.362 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.044 4.839 -5.648 1.00 0.00 H new ATOM 857 N LYS A 62 -4.575 3.571 -7.446 1.00 0.00 N ATOM 858 CA LYS A 62 -5.607 3.040 -8.328 1.00 0.00 C ATOM 859 C LYS A 62 -5.155 3.085 -9.784 1.00 0.00 C ATOM 860 O LYS A 62 -4.950 2.047 -10.412 1.00 0.00 O ATOM 861 CB LYS A 62 -6.906 3.832 -8.162 1.00 0.00 C ATOM 862 CG LYS A 62 -7.976 3.465 -9.175 1.00 0.00 C ATOM 863 CD LYS A 62 -8.922 2.408 -8.630 1.00 0.00 C ATOM 864 CE LYS A 62 -10.010 3.026 -7.766 1.00 0.00 C ATOM 865 NZ LYS A 62 -9.559 3.219 -6.360 1.00 0.00 N ATOM 0 H LYS A 62 -4.888 4.329 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.784 2.000 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.296 3.667 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.686 4.896 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.542 4.356 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.504 3.097 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.378 1.865 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.359 1.682 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.307 3.987 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.892 2.386 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.385 3.381 -5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.052 2.370 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.924 4.041 -6.309 1.00 0.00 H new ATOM 879 N GLN A 63 -4.999 4.294 -10.313 1.00 0.00 N ATOM 880 CA GLN A 63 -4.570 4.474 -11.695 1.00 0.00 C ATOM 881 C GLN A 63 -3.055 4.340 -11.816 1.00 0.00 C ATOM 882 O GLN A 63 -2.547 3.764 -12.779 1.00 0.00 O ATOM 883 CB GLN A 63 -5.016 5.840 -12.217 1.00 0.00 C ATOM 884 CG GLN A 63 -4.878 6.957 -11.195 1.00 0.00 C ATOM 885 CD GLN A 63 -4.656 8.312 -11.837 1.00 0.00 C ATOM 886 OE1 GLN A 63 -5.581 9.116 -11.952 1.00 0.00 O ATOM 887 NE2 GLN A 63 -3.425 8.572 -12.259 1.00 0.00 N ATOM 0 H GLN A 63 -5.163 5.164 -9.806 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.035 3.694 -12.298 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.428 6.092 -13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.057 5.776 -12.535 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.777 6.994 -10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.044 6.734 -10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.689 7.876 -12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.215 9.468 -12.699 1.00 0.00 H new ATOM 896 N LYS A 64 -2.339 4.876 -10.834 1.00 0.00 N ATOM 897 CA LYS A 64 -0.882 4.816 -10.829 1.00 0.00 C ATOM 898 C LYS A 64 -0.396 3.389 -10.597 1.00 0.00 C ATOM 899 O LYS A 64 -0.988 2.640 -9.820 1.00 0.00 O ATOM 900 CB LYS A 64 -0.317 5.740 -9.748 1.00 0.00 C ATOM 901 CG LYS A 64 -0.778 7.182 -9.879 1.00 0.00 C ATOM 902 CD LYS A 64 -0.207 8.052 -8.771 1.00 0.00 C ATOM 903 CE LYS A 64 -0.905 9.402 -8.708 1.00 0.00 C ATOM 904 NZ LYS A 64 -0.256 10.404 -9.597 1.00 0.00 N ATOM 0 H LYS A 64 -2.744 5.357 -10.031 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.527 5.148 -11.805 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.610 5.361 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.772 5.710 -9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.471 7.577 -10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.867 7.221 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.313 7.541 -7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.860 8.200 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.950 9.284 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.896 9.768 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.761 11.310 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.734 10.536 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.287 10.067 -10.580 1.00 0.00 H new ATOM 918 N GLY A 65 0.686 3.018 -11.276 1.00 0.00 N ATOM 919 CA GLY A 65 1.233 1.682 -11.128 1.00 0.00 C ATOM 920 C GLY A 65 1.473 1.311 -9.678 1.00 0.00 C ATOM 921 O GLY A 65 2.319 1.907 -9.010 1.00 0.00 O ATOM 0 H GLY A 65 1.193 3.619 -11.926 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.549 0.961 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.172 1.614 -11.677 1.00 0.00 H new ATOM 925 N TYR A 66 0.728 0.327 -9.190 1.00 0.00 N ATOM 926 CA TYR A 66 0.862 -0.120 -7.808 1.00 0.00 C ATOM 927 C TYR A 66 2.078 -1.026 -7.644 1.00 0.00 C ATOM 928 O TYR A 66 2.675 -1.468 -8.626 1.00 0.00 O ATOM 929 CB TYR A 66 -0.402 -0.859 -7.364 1.00 0.00 C ATOM 930 CG TYR A 66 -0.511 -2.261 -7.920 1.00 0.00 C ATOM 931 CD1 TYR A 66 0.037 -3.342 -7.242 1.00 0.00 C ATOM 932 CD2 TYR A 66 -1.162 -2.504 -9.123 1.00 0.00 C ATOM 933 CE1 TYR A 66 -0.059 -4.625 -7.746 1.00 0.00 C ATOM 934 CE2 TYR A 66 -1.265 -3.783 -9.634 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.711 -4.840 -8.942 1.00 0.00 C ATOM 936 OH TYR A 66 -0.810 -6.116 -9.447 1.00 0.00 O ATOM 0 H TYR A 66 0.025 -0.177 -9.730 1.00 0.00 H new ATOM 0 HA TYR A 66 1.000 0.760 -7.180 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.421 -0.907 -6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.276 -0.285 -7.674 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.547 -3.177 -6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.595 -1.678 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.374 -5.454 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.776 -3.955 -10.570 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.300 -6.095 -10.296 1.00 0.00 H new ATOM 946 N PHE A 67 2.439 -1.300 -6.395 1.00 0.00 N ATOM 947 CA PHE A 67 3.584 -2.153 -6.100 1.00 0.00 C ATOM 948 C PHE A 67 3.317 -3.017 -4.870 1.00 0.00 C ATOM 949 O PHE A 67 2.362 -2.783 -4.129 1.00 0.00 O ATOM 950 CB PHE A 67 4.837 -1.303 -5.877 1.00 0.00 C ATOM 951 CG PHE A 67 5.573 -0.976 -7.145 1.00 0.00 C ATOM 952 CD1 PHE A 67 5.001 -0.152 -8.100 1.00 0.00 C ATOM 953 CD2 PHE A 67 6.837 -1.492 -7.381 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.675 0.152 -9.268 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.516 -1.192 -8.546 1.00 0.00 C ATOM 956 CZ PHE A 67 6.934 -0.370 -9.491 1.00 0.00 C ATOM 0 H PHE A 67 1.955 -0.944 -5.571 1.00 0.00 H new ATOM 0 HA PHE A 67 3.746 -2.809 -6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.553 -0.375 -5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.510 -1.832 -5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.016 0.258 -7.930 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.297 -2.136 -6.646 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.218 0.796 -10.005 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.501 -1.600 -8.718 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.463 -0.136 -10.403 1.00 0.00 H new ATOM 966 N PHE A 68 4.167 -4.016 -4.661 1.00 0.00 N ATOM 967 CA PHE A 68 4.022 -4.917 -3.523 1.00 0.00 C ATOM 968 C PHE A 68 5.378 -5.209 -2.885 1.00 0.00 C ATOM 969 O PHE A 68 6.159 -6.010 -3.399 1.00 0.00 O ATOM 970 CB PHE A 68 3.360 -6.224 -3.961 1.00 0.00 C ATOM 971 CG PHE A 68 1.859 -6.185 -3.901 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.205 -6.012 -2.693 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.104 -6.322 -5.055 1.00 0.00 C ATOM 974 CE1 PHE A 68 -0.176 -5.975 -2.635 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.277 -6.285 -5.003 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.918 -6.113 -3.792 1.00 0.00 C ATOM 0 H PHE A 68 4.963 -4.223 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 68 3.389 -4.428 -2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.669 -6.455 -4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.720 -7.035 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.780 -5.905 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.600 -6.459 -6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.674 -5.838 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.855 -6.391 -5.909 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.997 -6.086 -3.750 1.00 0.00 H new ATOM 986 N VAL A 69 5.650 -4.553 -1.761 1.00 0.00 N ATOM 987 CA VAL A 69 6.910 -4.742 -1.052 1.00 0.00 C ATOM 988 C VAL A 69 6.670 -5.221 0.375 1.00 0.00 C ATOM 989 O VAL A 69 6.182 -4.470 1.219 1.00 0.00 O ATOM 990 CB VAL A 69 7.733 -3.440 -1.013 1.00 0.00 C ATOM 991 CG1 VAL A 69 9.021 -3.646 -0.232 1.00 0.00 C ATOM 992 CG2 VAL A 69 8.027 -2.955 -2.424 1.00 0.00 C ATOM 0 H VAL A 69 5.015 -3.886 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 69 7.470 -5.501 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 69 7.147 -2.674 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.589 -2.716 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.784 -3.945 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.615 -4.425 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.609 -2.034 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.594 -3.716 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.089 -2.766 -2.947 1.00 0.00 H new ATOM 1002 N GLU A 70 7.018 -6.477 0.638 1.00 0.00 N ATOM 1003 CA GLU A 70 6.840 -7.057 1.964 1.00 0.00 C ATOM 1004 C GLU A 70 5.364 -7.096 2.348 1.00 0.00 C ATOM 1005 O GLU A 70 4.992 -6.744 3.466 1.00 0.00 O ATOM 1006 CB GLU A 70 7.628 -6.257 3.005 1.00 0.00 C ATOM 1007 CG GLU A 70 9.133 -6.424 2.888 1.00 0.00 C ATOM 1008 CD GLU A 70 9.657 -7.585 3.712 1.00 0.00 C ATOM 1009 OE1 GLU A 70 8.956 -8.006 4.656 1.00 0.00 O ATOM 1010 OE2 GLU A 70 10.767 -8.073 3.412 1.00 0.00 O ATOM 0 H GLU A 70 7.424 -7.112 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 70 7.218 -8.079 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.379 -5.201 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.313 -6.565 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.398 -6.577 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.623 -5.505 3.209 1.00 0.00 H new ATOM 1017 N GLY A 71 4.526 -7.526 1.409 1.00 0.00 N ATOM 1018 CA GLY A 71 3.100 -7.603 1.667 1.00 0.00 C ATOM 1019 C GLY A 71 2.469 -6.236 1.850 1.00 0.00 C ATOM 1020 O GLY A 71 1.367 -6.121 2.385 1.00 0.00 O ATOM 0 H GLY A 71 4.809 -7.822 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.611 -8.117 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.927 -8.202 2.561 1.00 0.00 H new ATOM 1024 N GLU A 72 3.171 -5.198 1.405 1.00 0.00 N ATOM 1025 CA GLU A 72 2.673 -3.833 1.526 1.00 0.00 C ATOM 1026 C GLU A 72 2.651 -3.140 0.166 1.00 0.00 C ATOM 1027 O GLU A 72 3.432 -3.473 -0.726 1.00 0.00 O ATOM 1028 CB GLU A 72 3.539 -3.035 2.503 1.00 0.00 C ATOM 1029 CG GLU A 72 3.024 -1.630 2.766 1.00 0.00 C ATOM 1030 CD GLU A 72 2.001 -1.584 3.884 1.00 0.00 C ATOM 1031 OE1 GLU A 72 2.406 -1.672 5.062 1.00 0.00 O ATOM 1032 OE2 GLU A 72 0.796 -1.460 3.581 1.00 0.00 O ATOM 0 H GLU A 72 4.085 -5.276 0.958 1.00 0.00 H new ATOM 0 HA GLU A 72 1.653 -3.878 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.597 -3.575 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.553 -2.973 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.862 -0.981 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.578 -1.234 1.854 1.00 0.00 H new ATOM 1039 N LEU A 73 1.751 -2.175 0.016 1.00 0.00 N ATOM 1040 CA LEU A 73 1.625 -1.434 -1.235 1.00 0.00 C ATOM 1041 C LEU A 73 2.495 -0.182 -1.215 1.00 0.00 C ATOM 1042 O LEU A 73 2.807 0.354 -0.151 1.00 0.00 O ATOM 1043 CB LEU A 73 0.165 -1.051 -1.479 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.661 -2.042 -2.299 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -2.147 -1.826 -2.060 1.00 0.00 C ATOM 1046 CD2 LEU A 73 -0.333 -1.914 -3.779 1.00 0.00 C ATOM 0 H LEU A 73 1.098 -1.887 0.744 1.00 0.00 H new ATOM 0 HA LEU A 73 1.965 -2.078 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.321 -0.916 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.143 -0.085 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.405 -3.051 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.718 -2.541 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.370 -1.970 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.419 -0.812 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.930 -2.627 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.559 -0.902 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.726 -2.121 -3.936 1.00 0.00 H new ATOM 1058 N TYR A 74 2.883 0.282 -2.398 1.00 0.00 N ATOM 1059 CA TYR A 74 3.717 1.472 -2.518 1.00 0.00 C ATOM 1060 C TYR A 74 3.603 2.080 -3.912 1.00 0.00 C ATOM 1061 O TYR A 74 3.322 1.381 -4.886 1.00 0.00 O ATOM 1062 CB TYR A 74 5.177 1.129 -2.216 1.00 0.00 C ATOM 1063 CG TYR A 74 5.464 0.941 -0.744 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.656 2.034 0.092 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.541 -0.331 -0.188 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.919 1.866 1.438 1.00 0.00 C ATOM 1067 CE2 TYR A 74 5.802 -0.507 1.157 1.00 0.00 C ATOM 1068 CZ TYR A 74 5.991 0.594 1.966 1.00 0.00 C ATOM 1069 OH TYR A 74 6.251 0.423 3.306 1.00 0.00 O ATOM 0 H TYR A 74 2.633 -0.149 -3.288 1.00 0.00 H new ATOM 0 HA TYR A 74 3.365 2.206 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.445 0.217 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.815 1.923 -2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.599 3.032 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.394 -1.196 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.067 2.727 2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.858 -1.502 1.573 1.00 0.00 H new ATOM 0 HH TYR A 74 6.034 -0.497 3.567 1.00 0.00 H new ATOM 1079 N CYS A 75 3.824 3.387 -4.000 1.00 0.00 N ATOM 1080 CA CYS A 75 3.747 4.092 -5.274 1.00 0.00 C ATOM 1081 C CYS A 75 5.005 3.854 -6.104 1.00 0.00 C ATOM 1082 O CYS A 75 6.079 3.597 -5.561 1.00 0.00 O ATOM 1083 CB CYS A 75 3.552 5.591 -5.040 1.00 0.00 C ATOM 1084 SG CYS A 75 4.886 6.372 -4.076 1.00 0.00 S ATOM 0 H CYS A 75 4.058 3.980 -3.204 1.00 0.00 H new ATOM 0 HA CYS A 75 2.891 3.703 -5.825 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.475 6.092 -6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.605 5.747 -4.523 1.00 0.00 H new ATOM 1089 N GLU A 76 4.863 3.943 -7.423 1.00 0.00 N ATOM 1090 CA GLU A 76 5.988 3.738 -8.328 1.00 0.00 C ATOM 1091 C GLU A 76 7.250 4.402 -7.786 1.00 0.00 C ATOM 1092 O GLU A 76 8.351 3.864 -7.909 1.00 0.00 O ATOM 1093 CB GLU A 76 5.662 4.292 -9.716 1.00 0.00 C ATOM 1094 CG GLU A 76 6.421 3.605 -10.839 1.00 0.00 C ATOM 1095 CD GLU A 76 6.256 4.310 -12.171 1.00 0.00 C ATOM 1096 OE1 GLU A 76 6.431 5.545 -12.215 1.00 0.00 O ATOM 1097 OE2 GLU A 76 5.952 3.625 -13.171 1.00 0.00 O ATOM 0 H GLU A 76 3.981 4.156 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 76 6.168 2.666 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.592 4.190 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.888 5.358 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.480 3.562 -10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.073 2.576 -10.931 1.00 0.00 H new ATOM 1104 N THR A 77 7.083 5.576 -7.185 1.00 0.00 N ATOM 1105 CA THR A 77 8.207 6.315 -6.625 1.00 0.00 C ATOM 1106 C THR A 77 8.861 5.543 -5.486 1.00 0.00 C ATOM 1107 O THR A 77 9.974 5.034 -5.626 1.00 0.00 O ATOM 1108 CB THR A 77 7.768 7.698 -6.108 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.112 8.427 -7.151 1.00 0.00 O ATOM 1110 CG2 THR A 77 8.964 8.492 -5.603 1.00 0.00 C ATOM 0 H THR A 77 6.179 6.035 -7.074 1.00 0.00 H new ATOM 0 HA THR A 77 8.929 6.449 -7.430 1.00 0.00 H new ATOM 0 HB THR A 77 7.075 7.548 -5.280 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.835 9.304 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.629 9.465 -5.243 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.443 7.949 -4.788 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.677 8.632 -6.415 1.00 0.00 H new ATOM 1118 N HIS A 78 8.163 5.457 -4.358 1.00 0.00 N ATOM 1119 CA HIS A 78 8.677 4.745 -3.193 1.00 0.00 C ATOM 1120 C HIS A 78 9.016 3.300 -3.547 1.00 0.00 C ATOM 1121 O HIS A 78 10.144 2.851 -3.348 1.00 0.00 O ATOM 1122 CB HIS A 78 7.654 4.777 -2.057 1.00 0.00 C ATOM 1123 CG HIS A 78 7.638 6.071 -1.303 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.477 6.750 -0.998 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.650 6.808 -0.788 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.776 7.851 -0.332 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.088 7.909 -0.190 1.00 0.00 N ATOM 0 H HIS A 78 7.240 5.871 -4.226 1.00 0.00 H new ATOM 0 HA HIS A 78 9.589 5.245 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.661 4.593 -2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.868 3.964 -1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.703 6.574 -0.838 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.068 8.580 0.034 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.600 8.651 0.286 1.00 0.00 H new ATOM 1135 N ALA A 79 8.031 2.577 -4.071 1.00 0.00 N ATOM 1136 CA ALA A 79 8.226 1.184 -4.453 1.00 0.00 C ATOM 1137 C ALA A 79 9.547 0.997 -5.191 1.00 0.00 C ATOM 1138 O ALA A 79 10.393 0.203 -4.776 1.00 0.00 O ATOM 1139 CB ALA A 79 7.066 0.706 -5.314 1.00 0.00 C ATOM 0 H ALA A 79 7.090 2.933 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 79 8.260 0.585 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.225 -0.336 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.136 0.794 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.006 1.317 -6.215 1.00 0.00 H new ATOM 1145 N ARG A 80 9.718 1.731 -6.285 1.00 0.00 N ATOM 1146 CA ARG A 80 10.936 1.643 -7.081 1.00 0.00 C ATOM 1147 C ARG A 80 12.173 1.693 -6.189 1.00 0.00 C ATOM 1148 O ARG A 80 13.123 0.936 -6.386 1.00 0.00 O ATOM 1149 CB ARG A 80 10.985 2.780 -8.104 1.00 0.00 C ATOM 1150 CG ARG A 80 10.280 2.455 -9.410 1.00 0.00 C ATOM 1151 CD ARG A 80 10.094 3.698 -10.267 1.00 0.00 C ATOM 1152 NE ARG A 80 9.723 3.365 -11.640 1.00 0.00 N ATOM 1153 CZ ARG A 80 9.804 4.223 -12.651 1.00 0.00 C ATOM 1154 NH1 ARG A 80 10.241 5.457 -12.445 1.00 0.00 N ATOM 1155 NH2 ARG A 80 9.447 3.846 -13.872 1.00 0.00 N ATOM 0 H ARG A 80 9.029 2.393 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 80 10.928 0.689 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.531 3.670 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.026 3.024 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.858 1.714 -9.962 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.308 2.008 -9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.323 4.330 -9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.017 4.277 -10.271 1.00 0.00 H new ATOM 0 HE ARG A 80 9.383 2.423 -11.833 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.516 5.751 -11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.302 6.113 -13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.110 2.897 -14.035 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.509 4.505 -14.648 1.00 0.00 H new ATOM 1169 N ALA A 81 12.154 2.591 -5.209 1.00 0.00 N ATOM 1170 CA ALA A 81 13.273 2.739 -4.287 1.00 0.00 C ATOM 1171 C ALA A 81 13.440 1.493 -3.422 1.00 0.00 C ATOM 1172 O ALA A 81 14.559 1.053 -3.161 1.00 0.00 O ATOM 1173 CB ALA A 81 13.077 3.968 -3.412 1.00 0.00 C ATOM 0 H ALA A 81 11.376 3.227 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 81 14.182 2.866 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.920 4.066 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.014 4.856 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.156 3.864 -2.839 1.00 0.00 H new ATOM 1179 N ARG A 82 12.320 0.931 -2.981 1.00 0.00 N ATOM 1180 CA ARG A 82 12.343 -0.263 -2.144 1.00 0.00 C ATOM 1181 C ARG A 82 12.810 -1.477 -2.941 1.00 0.00 C ATOM 1182 O ARG A 82 13.828 -2.092 -2.619 1.00 0.00 O ATOM 1183 CB ARG A 82 10.955 -0.528 -1.558 1.00 0.00 C ATOM 1184 CG ARG A 82 10.368 0.664 -0.819 1.00 0.00 C ATOM 1185 CD ARG A 82 8.859 0.541 -0.672 1.00 0.00 C ATOM 1186 NE ARG A 82 8.487 -0.347 0.426 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.721 -0.072 1.704 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.323 1.059 2.043 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.351 -0.930 2.647 1.00 0.00 N ATOM 0 H ARG A 82 11.385 1.283 -3.189 1.00 0.00 H new ATOM 0 HA ARG A 82 13.047 -0.091 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.279 -0.815 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.014 -1.375 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.825 0.743 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.609 1.581 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.430 1.528 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.434 0.165 -1.602 1.00 0.00 H new ATOM 0 HE ARG A 82 8.022 -1.226 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.608 1.721 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.501 1.267 3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.887 -1.801 2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.531 -0.718 3.628 1.00 0.00 H new ATOM 1203 N THR A 83 12.060 -1.818 -3.985 1.00 0.00 N ATOM 1204 CA THR A 83 12.396 -2.959 -4.827 1.00 0.00 C ATOM 1205 C THR A 83 13.457 -2.589 -5.857 1.00 0.00 C ATOM 1206 O THR A 83 13.644 -3.292 -6.850 1.00 0.00 O ATOM 1207 CB THR A 83 11.154 -3.502 -5.559 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.470 -4.737 -6.211 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.646 -2.497 -6.582 1.00 0.00 C ATOM 0 H THR A 83 11.216 -1.320 -4.267 1.00 0.00 H new ATOM 0 HA THR A 83 12.788 -3.733 -4.168 1.00 0.00 H new ATOM 0 HB THR A 83 10.370 -3.672 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.306 -4.638 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.769 -2.903 -7.086 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.378 -1.569 -6.078 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.427 -2.299 -7.316 1.00 0.00 H new ATOM 1217 N SER A 84 14.150 -1.481 -5.613 1.00 0.00 N ATOM 1218 CA SER A 84 15.191 -1.016 -6.522 1.00 0.00 C ATOM 1219 C SER A 84 16.189 -2.130 -6.821 1.00 0.00 C ATOM 1220 O SER A 84 16.566 -2.895 -5.934 1.00 0.00 O ATOM 1221 CB SER A 84 15.918 0.190 -5.924 1.00 0.00 C ATOM 1222 OG SER A 84 16.683 0.864 -6.908 1.00 0.00 O ATOM 0 H SER A 84 14.009 -0.889 -4.794 1.00 0.00 H new ATOM 0 HA SER A 84 14.716 -0.718 -7.457 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.192 0.877 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.570 -0.139 -5.115 1.00 0.00 H new ATOM 0 HG SER A 84 17.136 1.632 -6.501 1.00 0.00 H new ATOM 1228 N GLY A 85 16.615 -2.214 -8.078 1.00 0.00 N ATOM 1229 CA GLY A 85 17.565 -3.237 -8.473 1.00 0.00 C ATOM 1230 C GLY A 85 17.228 -4.596 -7.893 1.00 0.00 C ATOM 1231 O GLY A 85 17.971 -5.152 -7.084 1.00 0.00 O ATOM 0 H GLY A 85 16.319 -1.591 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.589 -3.305 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.564 -2.945 -8.150 1.00 0.00 H new ATOM 1235 N PRO A 86 16.081 -5.153 -8.309 1.00 0.00 N ATOM 1236 CA PRO A 86 15.620 -6.462 -7.837 1.00 0.00 C ATOM 1237 C PRO A 86 16.480 -7.605 -8.366 1.00 0.00 C ATOM 1238 O PRO A 86 17.147 -7.469 -9.391 1.00 0.00 O ATOM 1239 CB PRO A 86 14.198 -6.560 -8.396 1.00 0.00 C ATOM 1240 CG PRO A 86 14.199 -5.672 -9.591 1.00 0.00 C ATOM 1241 CD PRO A 86 15.145 -4.548 -9.271 1.00 0.00 C ATOM 0 HA PRO A 86 15.673 -6.545 -6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.948 -7.586 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.461 -6.235 -7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 86 14.523 -6.214 -10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.198 -5.293 -9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.660 -4.190 -10.162 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.623 -3.694 -8.840 1.00 0.00 H new ATOM 1249 N SER A 87 16.459 -8.731 -7.660 1.00 0.00 N ATOM 1250 CA SER A 87 17.240 -9.897 -8.057 1.00 0.00 C ATOM 1251 C SER A 87 16.335 -11.101 -8.298 1.00 0.00 C ATOM 1252 O SER A 87 15.402 -11.353 -7.535 1.00 0.00 O ATOM 1253 CB SER A 87 18.278 -10.231 -6.985 1.00 0.00 C ATOM 1254 OG SER A 87 19.384 -10.920 -7.542 1.00 0.00 O ATOM 0 H SER A 87 15.910 -8.861 -6.810 1.00 0.00 H new ATOM 0 HA SER A 87 17.754 -9.659 -8.988 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.621 -9.313 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.819 -10.842 -6.208 1.00 0.00 H new ATOM 0 HG SER A 87 20.034 -11.120 -6.836 1.00 0.00 H new ATOM 1260 N SER A 88 16.617 -11.842 -9.365 1.00 0.00 N ATOM 1261 CA SER A 88 15.827 -13.018 -9.710 1.00 0.00 C ATOM 1262 C SER A 88 16.187 -14.197 -8.811 1.00 0.00 C ATOM 1263 O SER A 88 17.341 -14.622 -8.758 1.00 0.00 O ATOM 1264 CB SER A 88 16.046 -13.393 -11.177 1.00 0.00 C ATOM 1265 OG SER A 88 15.213 -12.627 -12.029 1.00 0.00 O ATOM 0 H SER A 88 17.387 -11.649 -10.006 1.00 0.00 H new ATOM 0 HA SER A 88 14.775 -12.777 -9.558 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.090 -13.233 -11.444 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.840 -14.454 -11.319 1.00 0.00 H new ATOM 0 HG SER A 88 15.373 -12.884 -12.961 1.00 0.00 H new ATOM 1271 N GLY A 89 15.190 -14.722 -8.106 1.00 0.00 N ATOM 1272 CA GLY A 89 15.421 -15.847 -7.219 1.00 0.00 C ATOM 1273 C GLY A 89 15.235 -15.482 -5.759 1.00 0.00 C ATOM 1274 O GLY A 89 16.087 -15.829 -4.942 1.00 0.00 O ATOM 0 H GLY A 89 14.226 -14.388 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.738 -16.656 -7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.433 -16.223 -7.370 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.228 0.152 3.340 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.575 6.551 -1.788 1.00 0.00 ZN