USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 MET CE :methyl 160:sc= -1.03 (180deg=-1.26) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.0735 K(o=-0.055,f=-0.64) USER MOD Set 2.2: A 56 THR OG1 : rot -136:sc= 0.0183 USER MOD Set 3.1: A 34 SER OG : rot 180:sc= 0.234 USER MOD Set 3.2: A 37 GLN : amide:sc= 0 X(o=0.23,f=0.23) USER MOD Set 4.1: A 26 GLN : amide:sc= 0.579 K(o=0.56,f=-0.82) USER MOD Set 4.2: A 30 GLN : amide:sc= -0.0214 K(o=0.56,f=-0.52) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0687 (180deg=0) USER MOD Single : A 2 SER OG : rot 59:sc= 0.306 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0629) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 118:sc= 0.326 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 MET CE :methyl 165:sc= -0.249 (180deg=-0.909) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 62 SER OG : rot -161:sc= 1.33 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 79:sc= 1.19 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0123 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.425 12.857 -7.910 1.00 0.00 N ATOM 2 CA GLY A 1 -13.461 11.426 -8.229 1.00 0.00 C ATOM 3 C GLY A 1 -14.561 11.154 -9.240 1.00 0.00 C ATOM 4 O GLY A 1 -14.885 12.026 -10.050 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.443 13.197 -7.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.000 13.381 -8.600 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.806 13.009 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.499 11.109 -8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.635 10.846 -7.323 1.00 0.00 H new ATOM 8 N SER A 2 -15.170 9.967 -9.179 1.00 0.00 N ATOM 9 CA SER A 2 -16.436 9.621 -9.814 1.00 0.00 C ATOM 10 C SER A 2 -16.944 8.296 -9.251 1.00 0.00 C ATOM 11 O SER A 2 -16.354 7.745 -8.321 1.00 0.00 O ATOM 12 CB SER A 2 -16.332 9.662 -11.352 1.00 0.00 C ATOM 13 OG SER A 2 -16.906 10.875 -11.808 1.00 0.00 O ATOM 0 H SER A 2 -14.771 9.186 -8.659 1.00 0.00 H new ATOM 0 HA SER A 2 -17.187 10.373 -9.574 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.290 9.595 -11.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.851 8.809 -11.790 1.00 0.00 H new ATOM 0 HG SER A 2 -16.434 11.633 -11.403 1.00 0.00 H new ATOM 19 N SER A 3 -18.085 7.831 -9.754 1.00 0.00 N ATOM 20 CA SER A 3 -18.790 6.665 -9.259 1.00 0.00 C ATOM 21 C SER A 3 -19.187 5.846 -10.481 1.00 0.00 C ATOM 22 O SER A 3 -20.162 6.173 -11.157 1.00 0.00 O ATOM 23 CB SER A 3 -19.997 7.096 -8.411 1.00 0.00 C ATOM 24 OG SER A 3 -19.608 7.990 -7.375 1.00 0.00 O ATOM 0 H SER A 3 -18.555 8.274 -10.543 1.00 0.00 H new ATOM 0 HA SER A 3 -18.168 6.057 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.739 7.576 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.471 6.216 -7.976 1.00 0.00 H new ATOM 0 HG SER A 3 -20.396 8.248 -6.853 1.00 0.00 H new ATOM 30 N GLY A 4 -18.386 4.836 -10.822 1.00 0.00 N ATOM 31 CA GLY A 4 -18.665 3.938 -11.928 1.00 0.00 C ATOM 32 C GLY A 4 -17.701 4.165 -13.079 1.00 0.00 C ATOM 33 O GLY A 4 -16.705 3.448 -13.159 1.00 0.00 O ATOM 0 H GLY A 4 -17.519 4.622 -10.330 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.592 2.905 -11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.688 4.089 -12.272 1.00 0.00 H new ATOM 37 N SER A 5 -17.964 5.160 -13.935 1.00 0.00 N ATOM 38 CA SER A 5 -17.410 5.295 -15.287 1.00 0.00 C ATOM 39 C SER A 5 -17.193 3.916 -15.930 1.00 0.00 C ATOM 40 O SER A 5 -16.060 3.436 -16.032 1.00 0.00 O ATOM 41 CB SER A 5 -16.147 6.173 -15.299 1.00 0.00 C ATOM 42 OG SER A 5 -16.373 7.406 -14.633 1.00 0.00 O ATOM 0 H SER A 5 -18.595 5.924 -13.694 1.00 0.00 H new ATOM 0 HA SER A 5 -18.140 5.817 -15.905 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.327 5.641 -14.817 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.843 6.363 -16.328 1.00 0.00 H new ATOM 0 HG SER A 5 -15.554 7.944 -14.654 1.00 0.00 H new ATOM 48 N SER A 6 -18.303 3.260 -16.283 1.00 0.00 N ATOM 49 CA SER A 6 -18.361 1.880 -16.735 1.00 0.00 C ATOM 50 C SER A 6 -17.417 1.666 -17.913 1.00 0.00 C ATOM 51 O SER A 6 -17.668 2.134 -19.024 1.00 0.00 O ATOM 52 CB SER A 6 -19.806 1.512 -17.079 1.00 0.00 C ATOM 53 OG SER A 6 -20.625 1.738 -15.947 1.00 0.00 O ATOM 0 H SER A 6 -19.222 3.702 -16.258 1.00 0.00 H new ATOM 0 HA SER A 6 -18.029 1.218 -15.936 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.156 2.109 -17.921 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.865 0.467 -17.383 1.00 0.00 H new ATOM 0 HG SER A 6 -21.552 1.505 -16.162 1.00 0.00 H new ATOM 59 N GLY A 7 -16.327 0.958 -17.639 1.00 0.00 N ATOM 60 CA GLY A 7 -15.284 0.577 -18.561 1.00 0.00 C ATOM 61 C GLY A 7 -14.563 -0.592 -17.912 1.00 0.00 C ATOM 62 O GLY A 7 -14.869 -1.743 -18.227 1.00 0.00 O ATOM 0 H GLY A 7 -16.144 0.615 -16.696 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.701 0.291 -19.527 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.600 1.406 -18.742 1.00 0.00 H new ATOM 66 N VAL A 8 -13.679 -0.314 -16.958 1.00 0.00 N ATOM 67 CA VAL A 8 -12.863 -1.297 -16.245 1.00 0.00 C ATOM 68 C VAL A 8 -13.086 -1.143 -14.728 1.00 0.00 C ATOM 69 O VAL A 8 -14.148 -0.675 -14.306 1.00 0.00 O ATOM 70 CB VAL A 8 -11.394 -1.172 -16.718 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.251 -1.699 -18.153 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.859 0.268 -16.652 1.00 0.00 C ATOM 0 H VAL A 8 -13.503 0.641 -16.646 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.159 -2.321 -16.475 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.799 -1.773 -16.031 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.213 -1.605 -18.473 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.548 -2.747 -18.187 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.890 -1.119 -18.819 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.825 0.288 -16.996 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.466 0.911 -17.289 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.906 0.627 -15.624 1.00 0.00 H new ATOM 82 N ARG A 9 -12.132 -1.564 -13.893 1.00 0.00 N ATOM 83 CA ARG A 9 -12.060 -1.174 -12.485 1.00 0.00 C ATOM 84 C ARG A 9 -11.690 0.304 -12.405 1.00 0.00 C ATOM 85 O ARG A 9 -10.804 0.756 -13.131 1.00 0.00 O ATOM 86 CB ARG A 9 -10.947 -1.979 -11.787 1.00 0.00 C ATOM 87 CG ARG A 9 -11.345 -3.409 -11.398 1.00 0.00 C ATOM 88 CD ARG A 9 -12.153 -3.443 -10.090 1.00 0.00 C ATOM 89 NE ARG A 9 -12.071 -4.749 -9.415 1.00 0.00 N ATOM 90 CZ ARG A 9 -12.714 -5.880 -9.729 1.00 0.00 C ATOM 91 NH1 ARG A 9 -13.612 -5.910 -10.706 1.00 0.00 N ATOM 92 NH2 ARG A 9 -12.458 -6.992 -9.057 1.00 0.00 N ATOM 0 H ARG A 9 -11.381 -2.192 -14.180 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.021 -1.362 -12.005 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.080 -2.023 -12.446 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.638 -1.444 -10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.934 -3.853 -12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.448 -4.018 -11.287 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.786 -2.666 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.197 -3.212 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.448 -4.798 -8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.822 -5.062 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.092 -6.781 -10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.772 -6.985 -8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.947 -7.855 -9.294 1.00 0.00 H new ATOM 106 N VAL A 10 -12.270 1.044 -11.464 1.00 0.00 N ATOM 107 CA VAL A 10 -11.621 2.201 -10.908 1.00 0.00 C ATOM 108 C VAL A 10 -10.585 1.709 -9.906 1.00 0.00 C ATOM 109 O VAL A 10 -10.803 0.710 -9.204 1.00 0.00 O ATOM 110 CB VAL A 10 -12.688 3.100 -10.262 1.00 0.00 C ATOM 111 CG1 VAL A 10 -12.943 2.849 -8.770 1.00 0.00 C ATOM 112 CG2 VAL A 10 -12.248 4.533 -10.464 1.00 0.00 C ATOM 0 H VAL A 10 -13.194 0.852 -11.077 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.111 2.796 -11.666 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.636 2.869 -10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.712 3.534 -8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.277 1.821 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.022 3.013 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.981 5.205 -10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.279 4.686 -9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.166 4.742 -11.531 1.00 0.00 H new ATOM 122 N LEU A 11 -9.510 2.470 -9.748 1.00 0.00 N ATOM 123 CA LEU A 11 -8.413 2.166 -8.864 1.00 0.00 C ATOM 124 C LEU A 11 -8.081 3.481 -8.192 1.00 0.00 C ATOM 125 O LEU A 11 -7.833 4.469 -8.877 1.00 0.00 O ATOM 126 CB LEU A 11 -7.209 1.643 -9.668 1.00 0.00 C ATOM 127 CG LEU A 11 -7.468 0.350 -10.462 1.00 0.00 C ATOM 128 CD1 LEU A 11 -6.244 0.028 -11.317 1.00 0.00 C ATOM 129 CD2 LEU A 11 -7.768 -0.834 -9.542 1.00 0.00 C ATOM 0 H LEU A 11 -9.382 3.346 -10.254 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.665 1.391 -8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.890 2.420 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.380 1.470 -8.981 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.342 0.514 -11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.424 -0.887 -11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.057 0.849 -12.009 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.376 -0.108 -10.672 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.945 -1.726 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.919 -1.005 -8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.655 -0.616 -8.946 1.00 0.00 H new ATOM 141 N SER A 12 -8.106 3.488 -6.866 1.00 0.00 N ATOM 142 CA SER A 12 -7.829 4.655 -6.045 1.00 0.00 C ATOM 143 C SER A 12 -6.818 4.314 -4.955 1.00 0.00 C ATOM 144 O SER A 12 -6.662 3.147 -4.569 1.00 0.00 O ATOM 145 CB SER A 12 -9.148 5.154 -5.445 1.00 0.00 C ATOM 146 OG SER A 12 -9.022 6.476 -4.955 1.00 0.00 O ATOM 0 H SER A 12 -8.326 2.657 -6.318 1.00 0.00 H new ATOM 0 HA SER A 12 -7.391 5.445 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.931 5.118 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.456 4.492 -4.636 1.00 0.00 H new ATOM 0 HG SER A 12 -9.879 6.769 -4.580 1.00 0.00 H new ATOM 152 N TYR A 13 -6.173 5.346 -4.418 1.00 0.00 N ATOM 153 CA TYR A 13 -5.250 5.251 -3.303 1.00 0.00 C ATOM 154 C TYR A 13 -6.028 5.697 -2.071 1.00 0.00 C ATOM 155 O TYR A 13 -6.182 6.901 -1.844 1.00 0.00 O ATOM 156 CB TYR A 13 -4.022 6.140 -3.578 1.00 0.00 C ATOM 157 CG TYR A 13 -3.103 5.591 -4.650 1.00 0.00 C ATOM 158 CD1 TYR A 13 -3.459 5.688 -6.008 1.00 0.00 C ATOM 159 CD2 TYR A 13 -1.910 4.937 -4.287 1.00 0.00 C ATOM 160 CE1 TYR A 13 -2.646 5.108 -6.993 1.00 0.00 C ATOM 161 CE2 TYR A 13 -1.097 4.357 -5.273 1.00 0.00 C ATOM 162 CZ TYR A 13 -1.469 4.429 -6.630 1.00 0.00 C ATOM 163 OH TYR A 13 -0.702 3.836 -7.579 1.00 0.00 O ATOM 0 H TYR A 13 -6.286 6.300 -4.762 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.872 4.240 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.362 7.132 -3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.457 6.260 -2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.360 6.210 -6.293 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.620 4.882 -3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.925 5.183 -8.034 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.184 3.854 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 13 0.074 3.413 -7.155 1.00 0.00 H new ATOM 173 N ASP A 14 -6.493 4.752 -1.262 1.00 0.00 N ATOM 174 CA ASP A 14 -7.228 4.997 -0.020 1.00 0.00 C ATOM 175 C ASP A 14 -6.287 4.677 1.124 1.00 0.00 C ATOM 176 O ASP A 14 -5.713 3.597 1.192 1.00 0.00 O ATOM 177 CB ASP A 14 -8.523 4.160 0.051 1.00 0.00 C ATOM 178 CG ASP A 14 -9.742 4.973 -0.383 1.00 0.00 C ATOM 179 OD1 ASP A 14 -9.713 5.586 -1.475 1.00 0.00 O ATOM 180 OD2 ASP A 14 -10.729 5.042 0.378 1.00 0.00 O ATOM 0 H ASP A 14 -6.366 3.759 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.549 6.037 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.425 3.282 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.669 3.800 1.069 1.00 0.00 H new ATOM 185 N LYS A 15 -6.068 5.648 2.002 1.00 0.00 N ATOM 186 CA LYS A 15 -5.070 5.565 3.067 1.00 0.00 C ATOM 187 C LYS A 15 -5.690 5.245 4.425 1.00 0.00 C ATOM 188 O LYS A 15 -5.010 5.294 5.443 1.00 0.00 O ATOM 189 CB LYS A 15 -4.223 6.848 3.045 1.00 0.00 C ATOM 190 CG LYS A 15 -5.045 8.130 3.153 1.00 0.00 C ATOM 191 CD LYS A 15 -4.133 9.361 3.217 1.00 0.00 C ATOM 192 CE LYS A 15 -4.965 10.636 3.046 1.00 0.00 C ATOM 193 NZ LYS A 15 -6.033 10.770 4.063 1.00 0.00 N ATOM 0 H LYS A 15 -6.584 6.528 1.996 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.404 4.721 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.509 6.815 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.645 6.875 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.713 8.212 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.672 8.091 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.607 9.385 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.375 9.304 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.307 11.503 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.414 10.640 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.462 11.715 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.762 10.046 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.627 10.643 5.012 1.00 0.00 H new ATOM 207 N GLU A 16 -6.970 4.902 4.433 1.00 0.00 N ATOM 208 CA GLU A 16 -7.713 4.502 5.607 1.00 0.00 C ATOM 209 C GLU A 16 -7.783 2.979 5.585 1.00 0.00 C ATOM 210 O GLU A 16 -7.085 2.319 6.355 1.00 0.00 O ATOM 211 CB GLU A 16 -9.087 5.189 5.552 1.00 0.00 C ATOM 212 CG GLU A 16 -9.052 6.589 6.168 1.00 0.00 C ATOM 213 CD GLU A 16 -9.186 6.542 7.687 1.00 0.00 C ATOM 214 OE1 GLU A 16 -8.539 5.691 8.339 1.00 0.00 O ATOM 215 OE2 GLU A 16 -9.950 7.366 8.237 1.00 0.00 O ATOM 0 H GLU A 16 -7.537 4.896 3.585 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.249 4.802 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.417 5.257 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.819 4.578 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.117 7.081 5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.859 7.190 5.750 1.00 0.00 H new ATOM 222 N LYS A 17 -8.587 2.421 4.680 1.00 0.00 N ATOM 223 CA LYS A 17 -8.785 0.983 4.594 1.00 0.00 C ATOM 224 C LYS A 17 -7.494 0.260 4.240 1.00 0.00 C ATOM 225 O LYS A 17 -6.696 0.733 3.423 1.00 0.00 O ATOM 226 CB LYS A 17 -9.952 0.677 3.664 1.00 0.00 C ATOM 227 CG LYS A 17 -9.551 0.728 2.197 1.00 0.00 C ATOM 228 CD LYS A 17 -10.642 1.224 1.239 1.00 0.00 C ATOM 229 CE LYS A 17 -12.020 0.571 1.399 1.00 0.00 C ATOM 230 NZ LYS A 17 -12.047 -0.832 0.943 1.00 0.00 N ATOM 0 H LYS A 17 -9.116 2.955 3.990 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.058 0.592 5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.349 -0.312 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.754 1.393 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.680 1.376 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.243 -0.270 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.754 2.300 1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.301 1.063 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.317 0.613 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.756 1.145 0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.002 -1.222 1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.792 -0.875 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.366 -1.390 1.497 1.00 0.00 H new ATOM 244 N LEU A 18 -7.314 -0.925 4.812 1.00 0.00 N ATOM 245 CA LEU A 18 -6.302 -1.844 4.383 1.00 0.00 C ATOM 246 C LEU A 18 -6.661 -2.281 2.976 1.00 0.00 C ATOM 247 O LEU A 18 -7.758 -2.797 2.756 1.00 0.00 O ATOM 248 CB LEU A 18 -6.259 -3.033 5.343 1.00 0.00 C ATOM 249 CG LEU A 18 -6.298 -2.694 6.841 1.00 0.00 C ATOM 250 CD1 LEU A 18 -5.449 -1.491 7.266 1.00 0.00 C ATOM 251 CD2 LEU A 18 -7.711 -2.597 7.410 1.00 0.00 C ATOM 0 H LEU A 18 -7.878 -1.264 5.591 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.313 -1.385 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.101 -3.687 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.351 -3.602 5.144 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.818 -3.563 7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.547 -1.338 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.404 -1.678 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.791 -0.600 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.660 -2.355 8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.261 -1.816 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.222 -3.551 7.280 1.00 0.00 H new ATOM 263 N ASN A 19 -5.775 -2.027 2.017 1.00 0.00 N ATOM 264 CA ASN A 19 -6.039 -2.403 0.627 1.00 0.00 C ATOM 265 C ASN A 19 -4.784 -2.750 -0.170 1.00 0.00 C ATOM 266 O ASN A 19 -4.895 -2.982 -1.374 1.00 0.00 O ATOM 267 CB ASN A 19 -6.859 -1.306 -0.083 1.00 0.00 C ATOM 268 CG ASN A 19 -8.006 -1.891 -0.900 1.00 0.00 C ATOM 269 OD1 ASN A 19 -8.713 -2.783 -0.447 1.00 0.00 O ATOM 270 ND2 ASN A 19 -8.280 -1.369 -2.082 1.00 0.00 N ATOM 0 H ASN A 19 -4.877 -1.568 2.171 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.623 -3.322 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.258 -0.614 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.205 -0.730 -0.737 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.080 -1.709 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.692 -0.626 -2.460 1.00 0.00 H new ATOM 277 N TRP A 20 -3.614 -2.795 0.478 1.00 0.00 N ATOM 278 CA TRP A 20 -2.332 -3.065 -0.158 1.00 0.00 C ATOM 279 C TRP A 20 -1.680 -4.251 0.532 1.00 0.00 C ATOM 280 O TRP A 20 -1.585 -4.281 1.758 1.00 0.00 O ATOM 281 CB TRP A 20 -1.446 -1.821 -0.100 1.00 0.00 C ATOM 282 CG TRP A 20 -2.000 -0.663 -0.862 1.00 0.00 C ATOM 283 CD1 TRP A 20 -2.963 0.179 -0.428 1.00 0.00 C ATOM 284 CD2 TRP A 20 -1.692 -0.259 -2.226 1.00 0.00 C ATOM 285 NE1 TRP A 20 -3.297 1.050 -1.444 1.00 0.00 N ATOM 286 CE2 TRP A 20 -2.520 0.848 -2.568 1.00 0.00 C ATOM 287 CE3 TRP A 20 -0.810 -0.741 -3.213 1.00 0.00 C ATOM 288 CZ2 TRP A 20 -2.458 1.465 -3.826 1.00 0.00 C ATOM 289 CZ3 TRP A 20 -0.745 -0.138 -4.485 1.00 0.00 C ATOM 290 CH2 TRP A 20 -1.564 0.964 -4.791 1.00 0.00 C ATOM 0 H TRP A 20 -3.537 -2.640 1.483 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.478 -3.313 -1.209 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.309 -1.529 0.941 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.460 -2.067 -0.494 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.402 0.171 0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -4.029 1.757 -1.374 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.174 -1.585 -2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.088 2.313 -4.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.063 -0.524 -5.228 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -1.507 1.425 -5.766 1.00 0.00 H new ATOM 301 N LEU A 21 -1.279 -5.238 -0.254 1.00 0.00 N ATOM 302 CA LEU A 21 -0.596 -6.455 0.134 1.00 0.00 C ATOM 303 C LEU A 21 0.890 -6.292 -0.176 1.00 0.00 C ATOM 304 O LEU A 21 1.272 -5.478 -1.024 1.00 0.00 O ATOM 305 CB LEU A 21 -1.151 -7.616 -0.707 1.00 0.00 C ATOM 306 CG LEU A 21 -2.668 -7.867 -0.596 1.00 0.00 C ATOM 307 CD1 LEU A 21 -3.071 -8.860 -1.681 1.00 0.00 C ATOM 308 CD2 LEU A 21 -3.037 -8.412 0.786 1.00 0.00 C ATOM 0 H LEU A 21 -1.437 -5.202 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.743 -6.655 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.910 -7.428 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.630 -8.529 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.202 -6.926 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.142 -9.051 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.832 -8.446 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.527 -9.794 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.113 -8.580 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.515 -9.353 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.746 -7.692 1.551 1.00 0.00 H new ATOM 320 N TYR A 22 1.730 -7.102 0.465 1.00 0.00 N ATOM 321 CA TYR A 22 3.140 -7.218 0.122 1.00 0.00 C ATOM 322 C TYR A 22 3.656 -8.590 0.574 1.00 0.00 C ATOM 323 O TYR A 22 3.002 -9.274 1.363 1.00 0.00 O ATOM 324 CB TYR A 22 3.925 -6.070 0.773 1.00 0.00 C ATOM 325 CG TYR A 22 4.071 -6.203 2.271 1.00 0.00 C ATOM 326 CD1 TYR A 22 5.147 -6.938 2.781 1.00 0.00 C ATOM 327 CD2 TYR A 22 3.141 -5.631 3.156 1.00 0.00 C ATOM 328 CE1 TYR A 22 5.254 -7.184 4.150 1.00 0.00 C ATOM 329 CE2 TYR A 22 3.308 -5.804 4.542 1.00 0.00 C ATOM 330 CZ TYR A 22 4.349 -6.605 5.054 1.00 0.00 C ATOM 331 OH TYR A 22 4.507 -6.764 6.396 1.00 0.00 O ATOM 0 H TYR A 22 1.446 -7.699 1.242 1.00 0.00 H new ATOM 0 HA TYR A 22 3.277 -7.142 -0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.917 -6.020 0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.426 -5.128 0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.902 -7.318 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.305 -5.063 2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.041 -7.826 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.628 -5.316 5.224 1.00 0.00 H new ATOM 0 HH TYR A 22 3.789 -6.293 6.868 1.00 0.00 H new ATOM 341 N LYS A 23 4.840 -8.991 0.103 1.00 0.00 N ATOM 342 CA LYS A 23 5.588 -10.155 0.584 1.00 0.00 C ATOM 343 C LYS A 23 6.730 -9.664 1.457 1.00 0.00 C ATOM 344 O LYS A 23 7.490 -8.804 1.001 1.00 0.00 O ATOM 345 CB LYS A 23 6.184 -10.913 -0.606 1.00 0.00 C ATOM 346 CG LYS A 23 5.988 -12.427 -0.516 1.00 0.00 C ATOM 347 CD LYS A 23 7.156 -13.111 -1.232 1.00 0.00 C ATOM 348 CE LYS A 23 6.761 -14.469 -1.804 1.00 0.00 C ATOM 349 NZ LYS A 23 7.658 -14.827 -2.917 1.00 0.00 N ATOM 0 H LYS A 23 5.320 -8.497 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 23 4.923 -10.812 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.728 -10.548 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.250 -10.694 -0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.946 -12.742 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.042 -12.714 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.513 -12.469 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.984 -13.239 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.813 -15.230 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.729 -14.440 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.382 -15.753 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.588 -14.107 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.638 -14.873 -2.572 1.00 0.00 H new ATOM 363 N ASP A 24 6.857 -10.164 2.679 1.00 0.00 N ATOM 364 CA ASP A 24 7.987 -9.798 3.540 1.00 0.00 C ATOM 365 C ASP A 24 9.188 -10.706 3.221 1.00 0.00 C ATOM 366 O ASP A 24 9.005 -11.734 2.562 1.00 0.00 O ATOM 367 CB ASP A 24 7.577 -9.920 5.023 1.00 0.00 C ATOM 368 CG ASP A 24 7.877 -8.690 5.896 1.00 0.00 C ATOM 369 OD1 ASP A 24 8.317 -7.646 5.366 1.00 0.00 O ATOM 370 OD2 ASP A 24 7.592 -8.724 7.111 1.00 0.00 O ATOM 0 H ASP A 24 6.199 -10.820 3.099 1.00 0.00 H new ATOM 0 HA ASP A 24 8.275 -8.764 3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.508 -10.125 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.087 -10.782 5.453 1.00 0.00 H new ATOM 375 N PRO A 25 10.402 -10.416 3.733 1.00 0.00 N ATOM 376 CA PRO A 25 11.609 -11.233 3.578 1.00 0.00 C ATOM 377 C PRO A 25 11.424 -12.704 3.963 1.00 0.00 C ATOM 378 O PRO A 25 12.148 -13.578 3.477 1.00 0.00 O ATOM 379 CB PRO A 25 12.654 -10.585 4.496 1.00 0.00 C ATOM 380 CG PRO A 25 12.237 -9.120 4.522 1.00 0.00 C ATOM 381 CD PRO A 25 10.717 -9.235 4.509 1.00 0.00 C ATOM 0 HA PRO A 25 11.899 -11.254 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.641 -11.025 5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.664 -10.709 4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.602 -8.606 5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.614 -8.571 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.326 -9.321 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.264 -8.348 4.067 1.00 0.00 H new ATOM 389 N GLN A 26 10.447 -12.986 4.826 1.00 0.00 N ATOM 390 CA GLN A 26 10.074 -14.324 5.261 1.00 0.00 C ATOM 391 C GLN A 26 9.496 -15.164 4.115 1.00 0.00 C ATOM 392 O GLN A 26 9.437 -16.387 4.227 1.00 0.00 O ATOM 393 CB GLN A 26 9.023 -14.220 6.374 1.00 0.00 C ATOM 394 CG GLN A 26 9.422 -13.322 7.562 1.00 0.00 C ATOM 395 CD GLN A 26 8.461 -12.154 7.766 1.00 0.00 C ATOM 396 OE1 GLN A 26 7.244 -12.314 7.694 1.00 0.00 O ATOM 397 NE2 GLN A 26 8.981 -10.961 7.976 1.00 0.00 N ATOM 0 H GLN A 26 9.875 -12.258 5.255 1.00 0.00 H new ATOM 0 HA GLN A 26 10.977 -14.817 5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.097 -13.839 5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.812 -15.221 6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.456 -13.923 8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.428 -12.935 7.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.993 -10.849 8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.371 -10.150 8.082 1.00 0.00 H new ATOM 406 N GLY A 27 9.068 -14.547 3.012 1.00 0.00 N ATOM 407 CA GLY A 27 8.388 -15.204 1.905 1.00 0.00 C ATOM 408 C GLY A 27 6.870 -15.224 2.081 1.00 0.00 C ATOM 409 O GLY A 27 6.161 -15.527 1.124 1.00 0.00 O ATOM 0 H GLY A 27 9.191 -13.545 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.636 -14.692 0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.754 -16.227 1.814 1.00 0.00 H new ATOM 413 N LEU A 28 6.358 -14.893 3.271 1.00 0.00 N ATOM 414 CA LEU A 28 4.927 -14.808 3.533 1.00 0.00 C ATOM 415 C LEU A 28 4.404 -13.547 2.861 1.00 0.00 C ATOM 416 O LEU A 28 5.005 -12.476 3.007 1.00 0.00 O ATOM 417 CB LEU A 28 4.618 -14.735 5.044 1.00 0.00 C ATOM 418 CG LEU A 28 4.701 -16.041 5.860 1.00 0.00 C ATOM 419 CD1 LEU A 28 3.874 -17.179 5.249 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.135 -16.513 6.100 1.00 0.00 C ATOM 0 H LEU A 28 6.935 -14.676 4.084 1.00 0.00 H new ATOM 0 HA LEU A 28 4.447 -15.705 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.305 -14.016 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.613 -14.331 5.161 1.00 0.00 H new ATOM 0 HG LEU A 28 4.268 -15.785 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.971 -18.072 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.826 -16.883 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.236 -17.392 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.122 -17.436 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.624 -16.693 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.683 -15.747 6.649 1.00 0.00 H new ATOM 432 N VAL A 29 3.274 -13.659 2.164 1.00 0.00 N ATOM 433 CA VAL A 29 2.445 -12.504 1.868 1.00 0.00 C ATOM 434 C VAL A 29 1.834 -12.087 3.205 1.00 0.00 C ATOM 435 O VAL A 29 1.378 -12.936 3.975 1.00 0.00 O ATOM 436 CB VAL A 29 1.384 -12.850 0.802 1.00 0.00 C ATOM 437 CG1 VAL A 29 0.474 -11.652 0.482 1.00 0.00 C ATOM 438 CG2 VAL A 29 2.062 -13.321 -0.492 1.00 0.00 C ATOM 0 H VAL A 29 2.916 -14.541 1.796 1.00 0.00 H new ATOM 0 HA VAL A 29 3.015 -11.680 1.440 1.00 0.00 H new ATOM 0 HB VAL A 29 0.768 -13.648 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.257 -11.942 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.045 -11.337 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.078 -10.827 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.301 -13.562 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.705 -12.529 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.662 -14.208 -0.287 1.00 0.00 H new ATOM 448 N GLN A 30 1.810 -10.793 3.483 1.00 0.00 N ATOM 449 CA GLN A 30 1.155 -10.233 4.651 1.00 0.00 C ATOM 450 C GLN A 30 0.037 -9.315 4.161 1.00 0.00 C ATOM 451 O GLN A 30 0.070 -8.832 3.020 1.00 0.00 O ATOM 452 CB GLN A 30 2.185 -9.460 5.495 1.00 0.00 C ATOM 453 CG GLN A 30 3.385 -10.277 6.004 1.00 0.00 C ATOM 454 CD GLN A 30 3.029 -11.375 7.007 1.00 0.00 C ATOM 455 OE1 GLN A 30 1.890 -11.517 7.458 1.00 0.00 O ATOM 456 NE2 GLN A 30 4.005 -12.186 7.385 1.00 0.00 N ATOM 0 H GLN A 30 2.254 -10.091 2.891 1.00 0.00 H new ATOM 0 HA GLN A 30 0.732 -11.015 5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.562 -8.628 4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.672 -9.030 6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.886 -10.732 5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.100 -9.597 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.945 -12.063 7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.817 -12.934 8.053 1.00 0.00 H new ATOM 465 N GLY A 31 -0.903 -9.001 5.049 1.00 0.00 N ATOM 466 CA GLY A 31 -1.805 -7.884 4.848 1.00 0.00 C ATOM 467 C GLY A 31 -3.228 -8.292 4.490 1.00 0.00 C ATOM 468 O GLY A 31 -3.610 -9.453 4.651 1.00 0.00 O ATOM 0 H GLY A 31 -1.056 -9.512 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.829 -7.282 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.410 -7.250 4.055 1.00 0.00 H new ATOM 472 N PRO A 32 -4.035 -7.343 3.995 1.00 0.00 N ATOM 473 CA PRO A 32 -3.598 -6.028 3.537 1.00 0.00 C ATOM 474 C PRO A 32 -3.276 -5.042 4.668 1.00 0.00 C ATOM 475 O PRO A 32 -3.559 -5.291 5.842 1.00 0.00 O ATOM 476 CB PRO A 32 -4.730 -5.555 2.630 1.00 0.00 C ATOM 477 CG PRO A 32 -5.971 -6.200 3.239 1.00 0.00 C ATOM 478 CD PRO A 32 -5.443 -7.553 3.699 1.00 0.00 C ATOM 0 HA PRO A 32 -2.644 -6.087 3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.808 -4.468 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.577 -5.874 1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.367 -5.615 4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.774 -6.304 2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.980 -7.905 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.572 -8.308 2.924 1.00 0.00 H new ATOM 486 N PHE A 33 -2.700 -3.894 4.301 1.00 0.00 N ATOM 487 CA PHE A 33 -2.380 -2.768 5.175 1.00 0.00 C ATOM 488 C PHE A 33 -2.806 -1.465 4.503 1.00 0.00 C ATOM 489 O PHE A 33 -3.160 -1.456 3.315 1.00 0.00 O ATOM 490 CB PHE A 33 -0.882 -2.746 5.496 1.00 0.00 C ATOM 491 CG PHE A 33 -0.415 -4.021 6.141 1.00 0.00 C ATOM 492 CD1 PHE A 33 -0.577 -4.205 7.522 1.00 0.00 C ATOM 493 CD2 PHE A 33 0.125 -5.045 5.353 1.00 0.00 C ATOM 494 CE1 PHE A 33 -0.202 -5.421 8.113 1.00 0.00 C ATOM 495 CE2 PHE A 33 0.535 -6.239 5.958 1.00 0.00 C ATOM 496 CZ PHE A 33 0.372 -6.436 7.336 1.00 0.00 C ATOM 0 H PHE A 33 -2.431 -3.718 3.333 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.923 -2.878 6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.319 -2.579 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.667 -1.907 6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.989 -3.413 8.129 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.224 -4.914 4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.356 -5.575 9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.982 -7.017 5.356 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.686 -7.362 7.795 1.00 0.00 H new ATOM 506 N SER A 34 -2.818 -0.370 5.265 1.00 0.00 N ATOM 507 CA SER A 34 -3.161 0.944 4.758 1.00 0.00 C ATOM 508 C SER A 34 -1.903 1.602 4.201 1.00 0.00 C ATOM 509 O SER A 34 -0.780 1.307 4.621 1.00 0.00 O ATOM 510 CB SER A 34 -3.811 1.786 5.865 1.00 0.00 C ATOM 511 OG SER A 34 -2.931 1.975 6.955 1.00 0.00 O ATOM 0 H SER A 34 -2.587 -0.379 6.258 1.00 0.00 H new ATOM 0 HA SER A 34 -3.890 0.860 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.106 2.755 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.720 1.295 6.211 1.00 0.00 H new ATOM 0 HG SER A 34 -3.373 2.516 7.642 1.00 0.00 H new ATOM 517 N LEU A 35 -2.098 2.569 3.306 1.00 0.00 N ATOM 518 CA LEU A 35 -1.016 3.393 2.788 1.00 0.00 C ATOM 519 C LEU A 35 -0.304 4.139 3.914 1.00 0.00 C ATOM 520 O LEU A 35 0.914 4.271 3.853 1.00 0.00 O ATOM 521 CB LEU A 35 -1.574 4.386 1.762 1.00 0.00 C ATOM 522 CG LEU A 35 -1.976 3.722 0.436 1.00 0.00 C ATOM 523 CD1 LEU A 35 -2.805 4.683 -0.410 1.00 0.00 C ATOM 524 CD2 LEU A 35 -0.733 3.287 -0.340 1.00 0.00 C ATOM 0 H LEU A 35 -3.014 2.801 2.921 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.286 2.744 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.442 4.889 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.826 5.154 1.565 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.578 2.842 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.082 4.198 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.707 4.962 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.219 5.577 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.034 2.818 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.114 4.158 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.163 2.574 0.256 1.00 0.00 H new ATOM 536 N THR A 36 -1.030 4.584 4.937 1.00 0.00 N ATOM 537 CA THR A 36 -0.493 5.262 6.107 1.00 0.00 C ATOM 538 C THR A 36 0.404 4.330 6.924 1.00 0.00 C ATOM 539 O THR A 36 1.510 4.730 7.293 1.00 0.00 O ATOM 540 CB THR A 36 -1.699 5.776 6.902 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.412 6.673 6.077 1.00 0.00 O ATOM 542 CG2 THR A 36 -1.374 6.493 8.202 1.00 0.00 C ATOM 0 H THR A 36 -2.044 4.477 4.972 1.00 0.00 H new ATOM 0 HA THR A 36 0.149 6.097 5.827 1.00 0.00 H new ATOM 0 HB THR A 36 -2.268 4.890 7.186 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.317 6.328 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.299 6.814 8.682 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.836 5.816 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.753 7.364 7.992 1.00 0.00 H new ATOM 550 N GLN A 37 -0.034 3.095 7.200 1.00 0.00 N ATOM 551 CA GLN A 37 0.787 2.158 7.957 1.00 0.00 C ATOM 552 C GLN A 37 2.076 1.861 7.180 1.00 0.00 C ATOM 553 O GLN A 37 3.167 1.933 7.750 1.00 0.00 O ATOM 554 CB GLN A 37 0.006 0.874 8.282 1.00 0.00 C ATOM 555 CG GLN A 37 -0.972 1.063 9.445 1.00 0.00 C ATOM 556 CD GLN A 37 -1.779 -0.211 9.705 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.234 -1.289 9.929 1.00 0.00 O ATOM 558 NE2 GLN A 37 -3.099 -0.120 9.696 1.00 0.00 N ATOM 0 H GLN A 37 -0.942 2.730 6.912 1.00 0.00 H new ATOM 0 HA GLN A 37 1.058 2.610 8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.544 0.553 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.708 0.077 8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.422 1.337 10.345 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.650 1.887 9.222 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.547 0.777 9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.668 -0.947 9.876 1.00 0.00 H new ATOM 567 N LEU A 38 1.963 1.593 5.878 1.00 0.00 N ATOM 568 CA LEU A 38 3.101 1.299 5.016 1.00 0.00 C ATOM 569 C LEU A 38 4.038 2.505 4.937 1.00 0.00 C ATOM 570 O LEU A 38 5.248 2.352 5.065 1.00 0.00 O ATOM 571 CB LEU A 38 2.580 0.865 3.630 1.00 0.00 C ATOM 572 CG LEU A 38 1.944 -0.543 3.644 1.00 0.00 C ATOM 573 CD1 LEU A 38 1.126 -0.815 2.380 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.994 -1.651 3.796 1.00 0.00 C ATOM 0 H LEU A 38 1.067 1.575 5.390 1.00 0.00 H new ATOM 0 HA LEU A 38 3.686 0.478 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.843 1.588 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.404 0.880 2.916 1.00 0.00 H new ATOM 0 HG LEU A 38 1.283 -0.556 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.697 -1.816 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.325 -0.081 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.773 -0.743 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.500 -2.622 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.695 -1.605 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.534 -1.514 4.733 1.00 0.00 H new ATOM 586 N LYS A 39 3.502 3.717 4.778 1.00 0.00 N ATOM 587 CA LYS A 39 4.291 4.947 4.757 1.00 0.00 C ATOM 588 C LYS A 39 5.121 5.081 6.031 1.00 0.00 C ATOM 589 O LYS A 39 6.311 5.365 5.937 1.00 0.00 O ATOM 590 CB LYS A 39 3.378 6.149 4.505 1.00 0.00 C ATOM 591 CG LYS A 39 4.138 7.482 4.590 1.00 0.00 C ATOM 592 CD LYS A 39 3.504 8.532 3.670 1.00 0.00 C ATOM 593 CE LYS A 39 3.475 9.929 4.298 1.00 0.00 C ATOM 594 NZ LYS A 39 2.963 10.933 3.342 1.00 0.00 N ATOM 0 H LYS A 39 2.501 3.872 4.659 1.00 0.00 H new ATOM 0 HA LYS A 39 5.004 4.909 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.920 6.056 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.568 6.147 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.133 7.843 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.180 7.330 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.060 8.571 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.487 8.227 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.847 9.917 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.479 10.207 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.954 11.870 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.577 10.959 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.996 10.678 3.055 1.00 0.00 H new ATOM 608 N ALA A 40 4.531 4.850 7.203 1.00 0.00 N ATOM 609 CA ALA A 40 5.256 4.955 8.461 1.00 0.00 C ATOM 610 C ALA A 40 6.418 3.966 8.525 1.00 0.00 C ATOM 611 O ALA A 40 7.526 4.355 8.884 1.00 0.00 O ATOM 612 CB ALA A 40 4.310 4.718 9.637 1.00 0.00 C ATOM 0 H ALA A 40 3.550 4.588 7.304 1.00 0.00 H new ATOM 0 HA ALA A 40 5.667 5.963 8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.864 4.799 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.515 5.464 9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.875 3.722 9.559 1.00 0.00 H new ATOM 618 N TRP A 41 6.173 2.695 8.185 1.00 0.00 N ATOM 619 CA TRP A 41 7.226 1.688 8.160 1.00 0.00 C ATOM 620 C TRP A 41 8.338 2.090 7.185 1.00 0.00 C ATOM 621 O TRP A 41 9.510 1.860 7.481 1.00 0.00 O ATOM 622 CB TRP A 41 6.640 0.322 7.786 1.00 0.00 C ATOM 623 CG TRP A 41 5.908 -0.464 8.836 1.00 0.00 C ATOM 624 CD1 TRP A 41 5.982 -0.323 10.182 1.00 0.00 C ATOM 625 CD2 TRP A 41 5.019 -1.599 8.616 1.00 0.00 C ATOM 626 NE1 TRP A 41 5.152 -1.250 10.788 1.00 0.00 N ATOM 627 CE2 TRP A 41 4.475 -2.017 9.863 1.00 0.00 C ATOM 628 CE3 TRP A 41 4.612 -2.318 7.478 1.00 0.00 C ATOM 629 CZ2 TRP A 41 3.472 -2.998 9.953 1.00 0.00 C ATOM 630 CZ3 TRP A 41 3.654 -3.340 7.557 1.00 0.00 C ATOM 631 CH2 TRP A 41 3.033 -3.640 8.780 1.00 0.00 C ATOM 0 H TRP A 41 5.251 2.345 7.924 1.00 0.00 H new ATOM 0 HA TRP A 41 7.664 1.616 9.156 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.956 0.474 6.951 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.458 -0.299 7.420 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.594 0.400 10.701 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.053 -1.354 11.798 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.048 -2.078 6.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.044 -3.256 10.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.392 -3.900 6.671 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.226 -4.357 8.820 1.00 0.00 H new ATOM 642 N SER A 42 7.993 2.717 6.058 1.00 0.00 N ATOM 643 CA SER A 42 8.970 3.232 5.116 1.00 0.00 C ATOM 644 C SER A 42 9.824 4.315 5.767 1.00 0.00 C ATOM 645 O SER A 42 11.035 4.314 5.573 1.00 0.00 O ATOM 646 CB SER A 42 8.267 3.797 3.875 1.00 0.00 C ATOM 647 OG SER A 42 9.158 3.796 2.775 1.00 0.00 O ATOM 0 H SER A 42 7.025 2.878 5.779 1.00 0.00 H new ATOM 0 HA SER A 42 9.619 2.410 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.386 3.199 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.920 4.811 4.073 1.00 0.00 H new ATOM 0 HG SER A 42 8.703 4.156 1.985 1.00 0.00 H new ATOM 653 N ASP A 43 9.216 5.259 6.487 1.00 0.00 N ATOM 654 CA ASP A 43 9.927 6.437 6.986 1.00 0.00 C ATOM 655 C ASP A 43 10.774 6.112 8.223 1.00 0.00 C ATOM 656 O ASP A 43 11.650 6.886 8.609 1.00 0.00 O ATOM 657 CB ASP A 43 8.940 7.594 7.240 1.00 0.00 C ATOM 658 CG ASP A 43 9.518 8.958 6.837 1.00 0.00 C ATOM 659 OD1 ASP A 43 10.753 9.150 6.774 1.00 0.00 O ATOM 660 OD2 ASP A 43 8.722 9.857 6.484 1.00 0.00 O ATOM 0 H ASP A 43 8.228 5.230 6.739 1.00 0.00 H new ATOM 0 HA ASP A 43 10.627 6.762 6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.021 7.413 6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.673 7.614 8.296 1.00 0.00 H new ATOM 665 N ALA A 44 10.549 4.944 8.828 1.00 0.00 N ATOM 666 CA ALA A 44 11.396 4.337 9.847 1.00 0.00 C ATOM 667 C ALA A 44 12.333 3.266 9.259 1.00 0.00 C ATOM 668 O ALA A 44 13.061 2.617 10.013 1.00 0.00 O ATOM 669 CB ALA A 44 10.489 3.755 10.927 1.00 0.00 C ATOM 0 H ALA A 44 9.733 4.373 8.608 1.00 0.00 H new ATOM 0 HA ALA A 44 12.049 5.097 10.276 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.098 3.293 11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.886 4.551 11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.834 3.004 10.486 1.00 0.00 H new ATOM 675 N GLU A 45 12.328 3.096 7.932 1.00 0.00 N ATOM 676 CA GLU A 45 13.156 2.183 7.151 1.00 0.00 C ATOM 677 C GLU A 45 13.103 0.731 7.651 1.00 0.00 C ATOM 678 O GLU A 45 14.128 0.067 7.830 1.00 0.00 O ATOM 679 CB GLU A 45 14.575 2.753 6.999 1.00 0.00 C ATOM 680 CG GLU A 45 14.576 3.981 6.069 1.00 0.00 C ATOM 681 CD GLU A 45 15.986 4.493 5.774 1.00 0.00 C ATOM 682 OE1 GLU A 45 16.895 3.666 5.523 1.00 0.00 O ATOM 683 OE2 GLU A 45 16.185 5.732 5.800 1.00 0.00 O ATOM 0 H GLU A 45 11.698 3.634 7.337 1.00 0.00 H new ATOM 0 HA GLU A 45 12.733 2.115 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.966 3.032 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.238 1.987 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.084 3.723 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.992 4.779 6.527 1.00 0.00 H new ATOM 690 N TYR A 46 11.888 0.200 7.795 1.00 0.00 N ATOM 691 CA TYR A 46 11.608 -1.220 8.010 1.00 0.00 C ATOM 692 C TYR A 46 11.583 -2.034 6.702 1.00 0.00 C ATOM 693 O TYR A 46 11.138 -3.184 6.722 1.00 0.00 O ATOM 694 CB TYR A 46 10.287 -1.361 8.788 1.00 0.00 C ATOM 695 CG TYR A 46 10.432 -1.030 10.255 1.00 0.00 C ATOM 696 CD1 TYR A 46 11.088 -1.942 11.100 1.00 0.00 C ATOM 697 CD2 TYR A 46 9.950 0.186 10.768 1.00 0.00 C ATOM 698 CE1 TYR A 46 11.323 -1.611 12.441 1.00 0.00 C ATOM 699 CE2 TYR A 46 10.171 0.519 12.115 1.00 0.00 C ATOM 700 CZ TYR A 46 10.903 -0.360 12.941 1.00 0.00 C ATOM 701 OH TYR A 46 11.189 0.003 14.216 1.00 0.00 O ATOM 0 H TYR A 46 11.041 0.768 7.764 1.00 0.00 H new ATOM 0 HA TYR A 46 12.425 -1.639 8.597 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.538 -0.705 8.345 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.918 -2.381 8.685 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.411 -2.898 10.715 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.409 0.866 10.126 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.825 -2.312 13.091 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.782 1.443 12.516 1.00 0.00 H new ATOM 0 HH TYR A 46 10.825 0.896 14.391 1.00 0.00 H new ATOM 711 N PHE A 47 12.029 -1.476 5.570 1.00 0.00 N ATOM 712 CA PHE A 47 11.842 -2.027 4.224 1.00 0.00 C ATOM 713 C PHE A 47 13.186 -2.247 3.516 1.00 0.00 C ATOM 714 O PHE A 47 14.221 -2.372 4.173 1.00 0.00 O ATOM 715 CB PHE A 47 10.883 -1.113 3.442 1.00 0.00 C ATOM 716 CG PHE A 47 9.462 -1.007 3.963 1.00 0.00 C ATOM 717 CD1 PHE A 47 8.847 -2.046 4.691 1.00 0.00 C ATOM 718 CD2 PHE A 47 8.715 0.137 3.640 1.00 0.00 C ATOM 719 CE1 PHE A 47 7.510 -1.923 5.094 1.00 0.00 C ATOM 720 CE2 PHE A 47 7.357 0.217 3.993 1.00 0.00 C ATOM 721 CZ PHE A 47 6.749 -0.817 4.705 1.00 0.00 C ATOM 0 H PHE A 47 12.548 -0.598 5.567 1.00 0.00 H new ATOM 0 HA PHE A 47 11.388 -3.016 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.312 -0.111 3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.842 -1.466 2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.406 -2.937 4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.185 0.958 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.064 -2.690 5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.780 1.085 3.711 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.699 -0.763 4.954 1.00 0.00 H new ATOM 731 N THR A 48 13.175 -2.387 2.185 1.00 0.00 N ATOM 732 CA THR A 48 14.328 -2.779 1.384 1.00 0.00 C ATOM 733 C THR A 48 14.519 -1.781 0.239 1.00 0.00 C ATOM 734 O THR A 48 13.582 -1.087 -0.163 1.00 0.00 O ATOM 735 CB THR A 48 14.157 -4.229 0.869 1.00 0.00 C ATOM 736 OG1 THR A 48 13.268 -4.297 -0.234 1.00 0.00 O ATOM 737 CG2 THR A 48 13.629 -5.210 1.925 1.00 0.00 C ATOM 0 H THR A 48 12.338 -2.225 1.625 1.00 0.00 H new ATOM 0 HA THR A 48 15.228 -2.761 1.999 1.00 0.00 H new ATOM 0 HB THR A 48 15.167 -4.522 0.584 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.187 -5.227 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.537 -6.203 1.485 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.322 -5.248 2.765 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.652 -4.877 2.275 1.00 0.00 H new ATOM 745 N LYS A 49 15.704 -1.761 -0.370 1.00 0.00 N ATOM 746 CA LYS A 49 16.041 -0.888 -1.499 1.00 0.00 C ATOM 747 C LYS A 49 15.265 -1.205 -2.789 1.00 0.00 C ATOM 748 O LYS A 49 15.527 -0.555 -3.802 1.00 0.00 O ATOM 749 CB LYS A 49 17.570 -0.947 -1.729 1.00 0.00 C ATOM 750 CG LYS A 49 18.292 0.409 -1.593 1.00 0.00 C ATOM 751 CD LYS A 49 18.649 1.089 -2.917 1.00 0.00 C ATOM 752 CE LYS A 49 17.511 1.942 -3.476 1.00 0.00 C ATOM 753 NZ LYS A 49 17.815 2.398 -4.844 1.00 0.00 N ATOM 0 H LYS A 49 16.476 -2.365 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 49 15.735 0.125 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.005 -1.648 -1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.759 -1.346 -2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.660 1.083 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.207 0.260 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.528 1.717 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.918 0.328 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.586 1.365 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.347 2.804 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.027 2.975 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.685 2.968 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.948 1.573 -5.463 1.00 0.00 H new ATOM 767 N GLN A 50 14.394 -2.221 -2.824 1.00 0.00 N ATOM 768 CA GLN A 50 13.576 -2.589 -3.985 1.00 0.00 C ATOM 769 C GLN A 50 12.210 -3.074 -3.476 1.00 0.00 C ATOM 770 O GLN A 50 11.755 -4.163 -3.842 1.00 0.00 O ATOM 771 CB GLN A 50 14.297 -3.651 -4.855 1.00 0.00 C ATOM 772 CG GLN A 50 15.550 -3.100 -5.554 1.00 0.00 C ATOM 773 CD GLN A 50 16.388 -4.156 -6.261 1.00 0.00 C ATOM 774 OE1 GLN A 50 17.139 -4.885 -5.607 1.00 0.00 O ATOM 775 NE2 GLN A 50 16.367 -4.212 -7.580 1.00 0.00 N ATOM 0 H GLN A 50 14.235 -2.828 -2.020 1.00 0.00 H new ATOM 0 HA GLN A 50 13.422 -1.725 -4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.579 -4.497 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 50 13.604 -4.029 -5.607 1.00 0.00 H new ATOM 0 HG2 GLN A 50 15.245 -2.348 -6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 50 16.172 -2.595 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 50 15.741 -3.603 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.977 -4.864 -8.073 1.00 0.00 H new ATOM 784 N PHE A 51 11.578 -2.314 -2.581 1.00 0.00 N ATOM 785 CA PHE A 51 10.334 -2.716 -1.944 1.00 0.00 C ATOM 786 C PHE A 51 9.154 -2.362 -2.842 1.00 0.00 C ATOM 787 O PHE A 51 9.084 -1.270 -3.416 1.00 0.00 O ATOM 788 CB PHE A 51 10.203 -2.052 -0.567 1.00 0.00 C ATOM 789 CG PHE A 51 9.293 -2.808 0.378 1.00 0.00 C ATOM 790 CD1 PHE A 51 9.807 -3.889 1.119 1.00 0.00 C ATOM 791 CD2 PHE A 51 7.941 -2.445 0.518 1.00 0.00 C ATOM 792 CE1 PHE A 51 8.977 -4.605 1.997 1.00 0.00 C ATOM 793 CE2 PHE A 51 7.109 -3.159 1.397 1.00 0.00 C ATOM 794 CZ PHE A 51 7.627 -4.241 2.128 1.00 0.00 C ATOM 0 H PHE A 51 11.919 -1.401 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 51 10.339 -3.796 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.192 -1.966 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.822 -1.039 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.845 -4.169 1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.543 -1.617 -0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.375 -5.431 2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.073 -2.876 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.983 -4.796 2.794 1.00 0.00 H new ATOM 804 N ARG A 52 8.208 -3.291 -2.969 1.00 0.00 N ATOM 805 CA ARG A 52 7.014 -3.137 -3.777 1.00 0.00 C ATOM 806 C ARG A 52 5.766 -3.516 -2.995 1.00 0.00 C ATOM 807 O ARG A 52 5.864 -4.204 -1.978 1.00 0.00 O ATOM 808 CB ARG A 52 7.162 -4.012 -5.024 1.00 0.00 C ATOM 809 CG ARG A 52 8.128 -3.426 -6.059 1.00 0.00 C ATOM 810 CD ARG A 52 9.368 -4.282 -6.360 1.00 0.00 C ATOM 811 NE ARG A 52 9.761 -4.188 -7.782 1.00 0.00 N ATOM 812 CZ ARG A 52 9.082 -4.665 -8.837 1.00 0.00 C ATOM 813 NH1 ARG A 52 8.034 -5.466 -8.676 1.00 0.00 N ATOM 814 NH2 ARG A 52 9.465 -4.342 -10.062 1.00 0.00 N ATOM 0 H ARG A 52 8.259 -4.194 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 52 6.902 -2.092 -4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.513 -5.000 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.183 -4.146 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.583 -3.265 -6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.458 -2.448 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.197 -3.957 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.163 -5.322 -6.106 1.00 0.00 H new ATOM 0 HE ARG A 52 10.640 -3.711 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.732 -5.729 -7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.531 -5.818 -9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.272 -3.734 -10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.953 -4.701 -10.868 1.00 0.00 H new ATOM 828 N VAL A 53 4.606 -3.098 -3.481 1.00 0.00 N ATOM 829 CA VAL A 53 3.299 -3.384 -2.908 1.00 0.00 C ATOM 830 C VAL A 53 2.323 -3.593 -4.062 1.00 0.00 C ATOM 831 O VAL A 53 2.506 -2.994 -5.123 1.00 0.00 O ATOM 832 CB VAL A 53 2.866 -2.223 -1.985 1.00 0.00 C ATOM 833 CG1 VAL A 53 3.747 -2.152 -0.731 1.00 0.00 C ATOM 834 CG2 VAL A 53 2.896 -0.845 -2.669 1.00 0.00 C ATOM 0 H VAL A 53 4.548 -2.525 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 53 3.323 -4.284 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 53 1.833 -2.448 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.418 -1.325 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.665 -3.086 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.785 -1.994 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.580 -0.080 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.909 -0.629 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.220 -0.849 -3.524 1.00 0.00 H new ATOM 844 N TRP A 54 1.296 -4.416 -3.865 1.00 0.00 N ATOM 845 CA TRP A 54 0.227 -4.624 -4.843 1.00 0.00 C ATOM 846 C TRP A 54 -1.118 -4.445 -4.150 1.00 0.00 C ATOM 847 O TRP A 54 -1.191 -4.558 -2.927 1.00 0.00 O ATOM 848 CB TRP A 54 0.377 -5.987 -5.547 1.00 0.00 C ATOM 849 CG TRP A 54 0.320 -7.252 -4.740 1.00 0.00 C ATOM 850 CD1 TRP A 54 -0.744 -8.083 -4.679 1.00 0.00 C ATOM 851 CD2 TRP A 54 1.388 -7.927 -4.003 1.00 0.00 C ATOM 852 NE1 TRP A 54 -0.434 -9.186 -3.910 1.00 0.00 N ATOM 853 CE2 TRP A 54 0.865 -9.136 -3.457 1.00 0.00 C ATOM 854 CE3 TRP A 54 2.758 -7.671 -3.771 1.00 0.00 C ATOM 855 CZ2 TRP A 54 1.642 -10.003 -2.674 1.00 0.00 C ATOM 856 CZ3 TRP A 54 3.565 -8.569 -3.043 1.00 0.00 C ATOM 857 CH2 TRP A 54 3.000 -9.727 -2.475 1.00 0.00 C ATOM 0 H TRP A 54 1.180 -4.964 -3.013 1.00 0.00 H new ATOM 0 HA TRP A 54 0.293 -3.880 -5.637 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.403 -6.049 -6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.332 -5.979 -6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.695 -7.910 -5.160 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.085 -9.943 -3.703 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.198 -6.765 -4.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.195 -10.879 -2.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.619 -8.368 -2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.611 -10.398 -1.889 1.00 0.00 H new ATOM 868 N MET A 55 -2.182 -4.138 -4.892 1.00 0.00 N ATOM 869 CA MET A 55 -3.505 -4.045 -4.284 1.00 0.00 C ATOM 870 C MET A 55 -4.035 -5.433 -3.930 1.00 0.00 C ATOM 871 O MET A 55 -3.538 -6.462 -4.393 1.00 0.00 O ATOM 872 CB MET A 55 -4.488 -3.294 -5.199 1.00 0.00 C ATOM 873 CG MET A 55 -4.327 -1.778 -5.131 1.00 0.00 C ATOM 874 SD MET A 55 -5.745 -0.918 -5.866 1.00 0.00 S ATOM 875 CE MET A 55 -4.951 0.658 -6.242 1.00 0.00 C ATOM 0 H MET A 55 -2.155 -3.953 -5.895 1.00 0.00 H new ATOM 0 HA MET A 55 -3.411 -3.472 -3.362 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.342 -3.623 -6.228 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.508 -3.558 -4.921 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.214 -1.470 -4.091 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.415 -1.485 -5.651 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.576 1.225 -6.932 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.818 1.227 -5.322 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.978 0.476 -6.699 1.00 0.00 H new ATOM 885 N THR A 56 -5.086 -5.470 -3.117 1.00 0.00 N ATOM 886 CA THR A 56 -5.845 -6.680 -2.887 1.00 0.00 C ATOM 887 C THR A 56 -6.415 -7.198 -4.217 1.00 0.00 C ATOM 888 O THR A 56 -6.595 -6.445 -5.178 1.00 0.00 O ATOM 889 CB THR A 56 -6.929 -6.391 -1.850 1.00 0.00 C ATOM 890 OG1 THR A 56 -7.711 -5.283 -2.247 1.00 0.00 O ATOM 891 CG2 THR A 56 -6.347 -6.100 -0.467 1.00 0.00 C ATOM 0 H THR A 56 -5.430 -4.659 -2.603 1.00 0.00 H new ATOM 0 HA THR A 56 -5.207 -7.470 -2.490 1.00 0.00 H new ATOM 0 HB THR A 56 -7.543 -7.289 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.853 -4.691 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.157 -5.901 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.774 -6.962 -0.125 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.694 -5.229 -0.523 1.00 0.00 H new ATOM 899 N GLY A 57 -6.698 -8.499 -4.298 1.00 0.00 N ATOM 900 CA GLY A 57 -7.166 -9.170 -5.510 1.00 0.00 C ATOM 901 C GLY A 57 -6.105 -9.309 -6.612 1.00 0.00 C ATOM 902 O GLY A 57 -6.193 -10.241 -7.409 1.00 0.00 O ATOM 0 H GLY A 57 -6.606 -9.130 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.527 -10.163 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.017 -8.618 -5.910 1.00 0.00 H new ATOM 906 N GLU A 58 -5.098 -8.435 -6.672 1.00 0.00 N ATOM 907 CA GLU A 58 -4.118 -8.416 -7.755 1.00 0.00 C ATOM 908 C GLU A 58 -3.048 -9.495 -7.585 1.00 0.00 C ATOM 909 O GLU A 58 -2.835 -10.024 -6.488 1.00 0.00 O ATOM 910 CB GLU A 58 -3.457 -7.029 -7.826 1.00 0.00 C ATOM 911 CG GLU A 58 -4.364 -6.001 -8.508 1.00 0.00 C ATOM 912 CD GLU A 58 -4.542 -6.307 -9.996 1.00 0.00 C ATOM 913 OE1 GLU A 58 -3.520 -6.420 -10.712 1.00 0.00 O ATOM 914 OE2 GLU A 58 -5.687 -6.518 -10.455 1.00 0.00 O ATOM 0 H GLU A 58 -4.940 -7.717 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.647 -8.627 -8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.216 -6.689 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.516 -7.102 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.338 -5.993 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.939 -5.004 -8.389 1.00 0.00 H new ATOM 921 N SER A 59 -2.351 -9.787 -8.686 1.00 0.00 N ATOM 922 CA SER A 59 -1.151 -10.603 -8.697 1.00 0.00 C ATOM 923 C SER A 59 -0.002 -9.795 -8.093 1.00 0.00 C ATOM 924 O SER A 59 0.028 -8.566 -8.197 1.00 0.00 O ATOM 925 CB SER A 59 -0.836 -11.002 -10.146 1.00 0.00 C ATOM 926 OG SER A 59 0.325 -11.804 -10.220 1.00 0.00 O ATOM 0 H SER A 59 -2.618 -9.451 -9.612 1.00 0.00 H new ATOM 0 HA SER A 59 -1.292 -11.509 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.682 -11.545 -10.568 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.699 -10.105 -10.750 1.00 0.00 H new ATOM 0 HG SER A 59 0.498 -12.043 -11.154 1.00 0.00 H new ATOM 932 N MET A 60 0.999 -10.499 -7.565 1.00 0.00 N ATOM 933 CA MET A 60 2.272 -9.911 -7.174 1.00 0.00 C ATOM 934 C MET A 60 2.950 -9.231 -8.360 1.00 0.00 C ATOM 935 O MET A 60 3.640 -8.231 -8.193 1.00 0.00 O ATOM 936 CB MET A 60 3.184 -11.017 -6.649 1.00 0.00 C ATOM 937 CG MET A 60 4.531 -10.460 -6.186 1.00 0.00 C ATOM 938 SD MET A 60 5.730 -11.758 -5.819 1.00 0.00 S ATOM 939 CE MET A 60 5.366 -11.902 -4.064 1.00 0.00 C ATOM 0 H MET A 60 0.945 -11.504 -7.397 1.00 0.00 H new ATOM 0 HA MET A 60 2.089 -9.162 -6.404 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.696 -11.529 -5.820 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.345 -11.759 -7.431 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.934 -9.806 -6.959 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.380 -9.848 -5.297 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.720 -12.865 -3.697 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.867 -11.101 -3.521 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.290 -11.827 -3.908 1.00 0.00 H new ATOM 949 N GLU A 61 2.781 -9.763 -9.568 1.00 0.00 N ATOM 950 CA GLU A 61 3.425 -9.185 -10.745 1.00 0.00 C ATOM 951 C GLU A 61 2.958 -7.745 -10.974 1.00 0.00 C ATOM 952 O GLU A 61 3.739 -6.909 -11.426 1.00 0.00 O ATOM 953 CB GLU A 61 3.176 -10.049 -11.968 1.00 0.00 C ATOM 954 CG GLU A 61 4.074 -11.284 -11.877 1.00 0.00 C ATOM 955 CD GLU A 61 5.164 -11.301 -12.945 1.00 0.00 C ATOM 956 OE1 GLU A 61 6.219 -10.652 -12.781 1.00 0.00 O ATOM 957 OE2 GLU A 61 5.024 -12.070 -13.919 1.00 0.00 O ATOM 0 H GLU A 61 2.209 -10.586 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 61 4.500 -9.156 -10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.128 -10.345 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.392 -9.489 -12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.537 -11.319 -10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.462 -12.181 -11.974 1.00 0.00 H new ATOM 964 N SER A 62 1.718 -7.443 -10.581 1.00 0.00 N ATOM 965 CA SER A 62 1.086 -6.134 -10.620 1.00 0.00 C ATOM 966 C SER A 62 1.599 -5.203 -9.506 1.00 0.00 C ATOM 967 O SER A 62 1.038 -4.122 -9.312 1.00 0.00 O ATOM 968 CB SER A 62 -0.424 -6.377 -10.485 1.00 0.00 C ATOM 969 OG SER A 62 -1.209 -5.368 -11.079 1.00 0.00 O ATOM 0 H SER A 62 1.094 -8.156 -10.204 1.00 0.00 H new ATOM 0 HA SER A 62 1.327 -5.628 -11.555 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.672 -7.336 -10.941 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.680 -6.451 -9.428 1.00 0.00 H new ATOM 0 HG SER A 62 -2.117 -5.400 -10.711 1.00 0.00 H new ATOM 975 N ALA A 63 2.594 -5.609 -8.712 1.00 0.00 N ATOM 976 CA ALA A 63 3.134 -4.763 -7.664 1.00 0.00 C ATOM 977 C ALA A 63 3.893 -3.590 -8.274 1.00 0.00 C ATOM 978 O ALA A 63 4.535 -3.721 -9.319 1.00 0.00 O ATOM 979 CB ALA A 63 4.041 -5.577 -6.735 1.00 0.00 C ATOM 0 H ALA A 63 3.038 -6.524 -8.782 1.00 0.00 H new ATOM 0 HA ALA A 63 2.310 -4.367 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.438 -4.928 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.466 -6.383 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.865 -6.000 -7.310 1.00 0.00 H new ATOM 985 N VAL A 64 3.890 -2.471 -7.562 1.00 0.00 N ATOM 986 CA VAL A 64 4.576 -1.245 -7.921 1.00 0.00 C ATOM 987 C VAL A 64 5.555 -0.874 -6.816 1.00 0.00 C ATOM 988 O VAL A 64 5.413 -1.337 -5.674 1.00 0.00 O ATOM 989 CB VAL A 64 3.559 -0.123 -8.197 1.00 0.00 C ATOM 990 CG1 VAL A 64 2.778 -0.393 -9.482 1.00 0.00 C ATOM 991 CG2 VAL A 64 2.567 0.075 -7.045 1.00 0.00 C ATOM 0 H VAL A 64 3.385 -2.394 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 64 5.144 -1.392 -8.840 1.00 0.00 H new ATOM 0 HB VAL A 64 4.144 0.790 -8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.067 0.415 -9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.469 -0.451 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.240 -1.336 -9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.874 0.879 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.009 -0.847 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.111 0.335 -6.137 1.00 0.00 H new ATOM 1001 N LEU A 65 6.540 -0.038 -7.129 1.00 0.00 N ATOM 1002 CA LEU A 65 7.489 0.492 -6.176 1.00 0.00 C ATOM 1003 C LEU A 65 6.724 1.260 -5.121 1.00 0.00 C ATOM 1004 O LEU A 65 5.968 2.182 -5.419 1.00 0.00 O ATOM 1005 CB LEU A 65 8.488 1.438 -6.855 1.00 0.00 C ATOM 1006 CG LEU A 65 9.585 0.712 -7.644 1.00 0.00 C ATOM 1007 CD1 LEU A 65 10.352 1.763 -8.442 1.00 0.00 C ATOM 1008 CD2 LEU A 65 10.561 -0.041 -6.726 1.00 0.00 C ATOM 0 H LEU A 65 6.698 0.294 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 65 8.046 -0.334 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.946 2.101 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.954 2.066 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 65 9.119 -0.029 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.142 1.279 -9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.670 2.273 -9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.793 2.489 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.319 -0.539 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.043 0.665 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.015 -0.784 -6.145 1.00 0.00 H new ATOM 1020 N LEU A 66 7.012 0.937 -3.870 1.00 0.00 N ATOM 1021 CA LEU A 66 6.475 1.670 -2.737 1.00 0.00 C ATOM 1022 C LEU A 66 6.804 3.168 -2.846 1.00 0.00 C ATOM 1023 O LEU A 66 5.995 4.004 -2.445 1.00 0.00 O ATOM 1024 CB LEU A 66 7.033 1.045 -1.461 1.00 0.00 C ATOM 1025 CG LEU A 66 6.705 1.859 -0.201 1.00 0.00 C ATOM 1026 CD1 LEU A 66 5.206 1.899 0.099 1.00 0.00 C ATOM 1027 CD2 LEU A 66 7.431 1.241 0.976 1.00 0.00 C ATOM 0 H LEU A 66 7.623 0.162 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 66 5.387 1.601 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.631 0.038 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.115 0.949 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 66 7.028 2.886 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.031 2.487 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.679 2.354 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.838 0.884 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.208 1.808 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.103 0.210 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.505 1.260 0.792 1.00 0.00 H new ATOM 1039 N THR A 67 7.950 3.527 -3.430 1.00 0.00 N ATOM 1040 CA THR A 67 8.352 4.926 -3.533 1.00 0.00 C ATOM 1041 C THR A 67 7.428 5.717 -4.466 1.00 0.00 C ATOM 1042 O THR A 67 7.206 6.914 -4.256 1.00 0.00 O ATOM 1043 CB THR A 67 9.817 5.013 -4.003 1.00 0.00 C ATOM 1044 OG1 THR A 67 10.059 4.242 -5.182 1.00 0.00 O ATOM 1045 CG2 THR A 67 10.755 4.507 -2.907 1.00 0.00 C ATOM 0 H THR A 67 8.613 2.867 -3.837 1.00 0.00 H new ATOM 0 HA THR A 67 8.267 5.379 -2.545 1.00 0.00 H new ATOM 0 HB THR A 67 10.007 6.063 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.000 4.329 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.787 4.574 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.631 5.117 -2.012 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.517 3.469 -2.675 1.00 0.00 H new ATOM 1053 N ASP A 68 6.893 5.052 -5.490 1.00 0.00 N ATOM 1054 CA ASP A 68 5.981 5.638 -6.465 1.00 0.00 C ATOM 1055 C ASP A 68 4.640 5.830 -5.763 1.00 0.00 C ATOM 1056 O ASP A 68 4.086 6.925 -5.768 1.00 0.00 O ATOM 1057 CB ASP A 68 5.864 4.723 -7.700 1.00 0.00 C ATOM 1058 CG ASP A 68 7.048 4.859 -8.667 1.00 0.00 C ATOM 1059 OD1 ASP A 68 8.166 5.249 -8.246 1.00 0.00 O ATOM 1060 OD2 ASP A 68 6.867 4.547 -9.863 1.00 0.00 O ATOM 0 H ASP A 68 7.088 4.067 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 68 6.345 6.599 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.789 3.687 -7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.941 4.956 -8.231 1.00 0.00 H new ATOM 1065 N VAL A 69 4.162 4.803 -5.060 1.00 0.00 N ATOM 1066 CA VAL A 69 2.935 4.842 -4.272 1.00 0.00 C ATOM 1067 C VAL A 69 2.964 5.977 -3.232 1.00 0.00 C ATOM 1068 O VAL A 69 1.979 6.704 -3.066 1.00 0.00 O ATOM 1069 CB VAL A 69 2.739 3.449 -3.642 1.00 0.00 C ATOM 1070 CG1 VAL A 69 1.605 3.405 -2.614 1.00 0.00 C ATOM 1071 CG2 VAL A 69 2.488 2.407 -4.739 1.00 0.00 C ATOM 0 H VAL A 69 4.632 3.898 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 69 2.079 5.068 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 69 3.659 3.217 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.520 2.397 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.819 4.104 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.667 3.683 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.351 1.426 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.592 2.676 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.343 2.377 -5.415 1.00 0.00 H new ATOM 1081 N LEU A 70 4.095 6.168 -2.546 1.00 0.00 N ATOM 1082 CA LEU A 70 4.303 7.249 -1.580 1.00 0.00 C ATOM 1083 C LEU A 70 4.127 8.619 -2.228 1.00 0.00 C ATOM 1084 O LEU A 70 3.426 9.468 -1.679 1.00 0.00 O ATOM 1085 CB LEU A 70 5.686 7.117 -0.932 1.00 0.00 C ATOM 1086 CG LEU A 70 5.679 6.635 0.525 1.00 0.00 C ATOM 1087 CD1 LEU A 70 4.698 5.493 0.784 1.00 0.00 C ATOM 1088 CD2 LEU A 70 7.094 6.177 0.849 1.00 0.00 C ATOM 0 H LEU A 70 4.909 5.562 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 70 3.545 7.162 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.283 6.424 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.184 8.085 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 70 5.352 7.458 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.746 5.203 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.687 5.821 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.960 4.639 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.135 5.825 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.377 5.367 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.784 7.011 0.723 1.00 0.00 H new ATOM 1100 N ARG A 71 4.735 8.827 -3.399 1.00 0.00 N ATOM 1101 CA ARG A 71 4.577 10.034 -4.208 1.00 0.00 C ATOM 1102 C ARG A 71 3.105 10.221 -4.572 1.00 0.00 C ATOM 1103 O ARG A 71 2.562 11.302 -4.347 1.00 0.00 O ATOM 1104 CB ARG A 71 5.534 9.929 -5.418 1.00 0.00 C ATOM 1105 CG ARG A 71 5.277 10.842 -6.633 1.00 0.00 C ATOM 1106 CD ARG A 71 6.448 11.785 -6.925 1.00 0.00 C ATOM 1107 NE ARG A 71 6.456 12.940 -6.003 1.00 0.00 N ATOM 1108 CZ ARG A 71 6.168 14.214 -6.308 1.00 0.00 C ATOM 1109 NH1 ARG A 71 5.959 14.584 -7.563 1.00 0.00 N ATOM 1110 NH2 ARG A 71 6.081 15.132 -5.352 1.00 0.00 N ATOM 0 H ARG A 71 5.365 8.144 -3.819 1.00 0.00 H new ATOM 0 HA ARG A 71 4.853 10.936 -3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.545 10.127 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.516 8.897 -5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.085 10.225 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.377 11.431 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.387 11.239 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.383 12.140 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 71 6.707 12.748 -5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.016 13.896 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.741 15.557 -7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.234 14.870 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.862 16.099 -5.592 1.00 0.00 H new ATOM 1124 N LEU A 72 2.449 9.200 -5.122 1.00 0.00 N ATOM 1125 CA LEU A 72 1.066 9.304 -5.592 1.00 0.00 C ATOM 1126 C LEU A 72 0.093 9.610 -4.445 1.00 0.00 C ATOM 1127 O LEU A 72 -0.887 10.325 -4.650 1.00 0.00 O ATOM 1128 CB LEU A 72 0.664 8.015 -6.337 1.00 0.00 C ATOM 1129 CG LEU A 72 1.447 7.801 -7.652 1.00 0.00 C ATOM 1130 CD1 LEU A 72 1.223 6.391 -8.195 1.00 0.00 C ATOM 1131 CD2 LEU A 72 1.055 8.812 -8.734 1.00 0.00 C ATOM 0 H LEU A 72 2.861 8.276 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 72 1.007 10.143 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.826 7.159 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.403 8.049 -6.559 1.00 0.00 H new ATOM 0 HG LEU A 72 2.499 7.945 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.784 6.264 -9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.563 5.660 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.161 6.241 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.633 8.620 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.008 8.715 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.261 9.822 -8.380 1.00 0.00 H new ATOM 1143 N SER A 73 0.377 9.124 -3.234 1.00 0.00 N ATOM 1144 CA SER A 73 -0.450 9.336 -2.045 1.00 0.00 C ATOM 1145 C SER A 73 0.019 10.550 -1.224 1.00 0.00 C ATOM 1146 O SER A 73 -0.120 10.549 0.004 1.00 0.00 O ATOM 1147 CB SER A 73 -0.469 8.061 -1.184 1.00 0.00 C ATOM 1148 OG SER A 73 -0.519 6.881 -1.970 1.00 0.00 O ATOM 0 H SER A 73 1.207 8.560 -3.050 1.00 0.00 H new ATOM 0 HA SER A 73 -1.465 9.554 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.420 8.038 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.331 8.088 -0.518 1.00 0.00 H new ATOM 0 HG SER A 73 0.376 6.680 -2.315 1.00 0.00 H new ATOM 1154 N GLY A 74 0.682 11.525 -1.850 1.00 0.00 N ATOM 1155 CA GLY A 74 1.176 12.728 -1.192 1.00 0.00 C ATOM 1156 C GLY A 74 0.206 13.904 -1.345 1.00 0.00 C ATOM 1157 O GLY A 74 -0.874 13.736 -1.918 1.00 0.00 O ATOM 0 H GLY A 74 0.893 11.496 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.334 12.523 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.144 13.000 -1.612 1.00 0.00 H new ATOM 1161 N PRO A 75 0.535 15.084 -0.791 1.00 0.00 N ATOM 1162 CA PRO A 75 -0.328 16.266 -0.771 1.00 0.00 C ATOM 1163 C PRO A 75 -0.297 17.032 -2.095 1.00 0.00 C ATOM 1164 O PRO A 75 -0.026 18.236 -2.139 1.00 0.00 O ATOM 1165 CB PRO A 75 0.184 17.079 0.423 1.00 0.00 C ATOM 1166 CG PRO A 75 1.688 16.819 0.363 1.00 0.00 C ATOM 1167 CD PRO A 75 1.745 15.342 -0.023 1.00 0.00 C ATOM 0 HA PRO A 75 -1.383 16.016 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.051 18.139 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.251 16.741 1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.181 17.452 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.172 17.009 1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.636 15.126 -0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.788 14.708 0.863 1.00 0.00 H new ATOM 1175 N SER A 76 -0.635 16.344 -3.181 1.00 0.00 N ATOM 1176 CA SER A 76 -0.729 16.943 -4.496 1.00 0.00 C ATOM 1177 C SER A 76 -1.990 16.492 -5.222 1.00 0.00 C ATOM 1178 O SER A 76 -2.705 15.594 -4.764 1.00 0.00 O ATOM 1179 CB SER A 76 0.535 16.618 -5.292 1.00 0.00 C ATOM 1180 OG SER A 76 1.658 17.318 -4.785 1.00 0.00 O ATOM 0 H SER A 76 -0.852 15.347 -3.167 1.00 0.00 H new ATOM 0 HA SER A 76 -0.804 18.025 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.725 15.545 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.384 16.878 -6.340 1.00 0.00 H new ATOM 0 HG SER A 76 2.452 17.089 -5.312 1.00 0.00 H new ATOM 1186 N SER A 77 -2.277 17.148 -6.346 1.00 0.00 N ATOM 1187 CA SER A 77 -3.279 16.682 -7.287 1.00 0.00 C ATOM 1188 C SER A 77 -2.801 15.388 -7.967 1.00 0.00 C ATOM 1189 O SER A 77 -1.663 14.936 -7.797 1.00 0.00 O ATOM 1190 CB SER A 77 -3.588 17.803 -8.292 1.00 0.00 C ATOM 1191 OG SER A 77 -2.415 18.358 -8.859 1.00 0.00 O ATOM 0 H SER A 77 -1.819 18.016 -6.624 1.00 0.00 H new ATOM 0 HA SER A 77 -4.206 16.440 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.222 17.410 -9.087 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.154 18.589 -7.792 1.00 0.00 H new ATOM 0 HG SER A 77 -2.660 19.065 -9.492 1.00 0.00 H new ATOM 1197 N GLY A 78 -3.693 14.789 -8.745 1.00 0.00 N ATOM 1198 CA GLY A 78 -3.510 13.598 -9.546 1.00 0.00 C ATOM 1199 C GLY A 78 -4.890 13.153 -9.968 1.00 0.00 C ATOM 1200 O GLY A 78 -4.991 12.137 -10.684 1.00 0.00 O ATOM 0 H GLY A 78 -4.639 15.159 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.886 13.806 -10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.008 12.818 -8.973 1.00 0.00 H new TER 1204 GLY A 78