USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 499 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 12 SER OG : rot -51:sc= 0.827 USER MOD Set 1.2: A 14 THR OG1 : rot 68:sc= 0.16 USER MOD Single : A 5 SER OG : rot -27:sc= 0.815 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 20:sc= 0.29 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= -0.0246 (180deg=-0.177) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0306 (180deg=-0.172) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0644 (180deg=-0.354) USER MOD Single : A 35 ASN : amide:sc= -0.0994 X(o=-0.099,f=-0.14) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= -0.977 (180deg=-0.982) USER MOD Single : A 47 SER OG : rot 62:sc= 0.452 USER MOD Single : A 48 ASN : amide:sc= -0.681 K(o=-0.68,f=-1.5) USER MOD Single : A 53 TYR OH : rot -167:sc= 1.21 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -76:sc= -0.413 USER MOD Single : A 61 SER OG : rot 56:sc= 0.289 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0293) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -10.704 -2.466 4.243 1.00 0.00 N ATOM 46 CA SER A 5 -10.038 -1.303 3.695 1.00 0.00 C ATOM 47 C SER A 5 -9.544 -0.392 4.813 1.00 0.00 C ATOM 48 O SER A 5 -10.316 0.053 5.664 1.00 0.00 O ATOM 49 CB SER A 5 -11.007 -0.570 2.772 1.00 0.00 C ATOM 50 OG SER A 5 -12.349 -0.956 3.047 1.00 0.00 O ATOM 0 HA SER A 5 -9.165 -1.614 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.898 0.507 2.903 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.765 -0.791 1.732 1.00 0.00 H new ATOM 0 HG SER A 5 -12.359 -1.861 3.423 1.00 0.00 H new ATOM 56 N ARG A 6 -8.254 -0.128 4.804 1.00 0.00 N ATOM 57 CA ARG A 6 -7.603 0.569 5.894 1.00 0.00 C ATOM 58 C ARG A 6 -6.827 1.768 5.385 1.00 0.00 C ATOM 59 O ARG A 6 -6.808 2.043 4.193 1.00 0.00 O ATOM 60 CB ARG A 6 -6.683 -0.388 6.630 1.00 0.00 C ATOM 61 CG ARG A 6 -5.701 -1.088 5.721 1.00 0.00 C ATOM 62 CD ARG A 6 -5.090 -2.302 6.393 1.00 0.00 C ATOM 63 NE ARG A 6 -6.090 -3.313 6.769 1.00 0.00 N ATOM 64 CZ ARG A 6 -5.846 -4.287 7.653 1.00 0.00 C ATOM 65 NH1 ARG A 6 -4.693 -4.314 8.311 1.00 0.00 N ATOM 66 NH2 ARG A 6 -6.760 -5.217 7.895 1.00 0.00 N ATOM 0 H ARG A 6 -7.628 -0.390 4.042 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.365 0.935 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.133 0.162 7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.285 -1.135 7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.206 -1.394 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.911 -0.394 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.359 -2.753 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.550 -1.984 7.285 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.012 -3.269 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.993 -3.592 8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.508 -5.057 8.985 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.655 -5.192 7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.568 -5.957 8.570 1.00 0.00 H new ATOM 80 N LEU A 7 -6.173 2.457 6.298 1.00 0.00 N ATOM 81 CA LEU A 7 -5.588 3.758 6.007 1.00 0.00 C ATOM 82 C LEU A 7 -4.160 3.621 5.475 1.00 0.00 C ATOM 83 O LEU A 7 -3.228 3.335 6.229 1.00 0.00 O ATOM 84 CB LEU A 7 -5.612 4.625 7.272 1.00 0.00 C ATOM 85 CG LEU A 7 -5.811 6.128 7.052 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.624 6.741 6.333 1.00 0.00 C ATOM 87 CD2 LEU A 7 -7.092 6.383 6.273 1.00 0.00 C ATOM 0 H LEU A 7 -6.031 2.138 7.256 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.181 4.238 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.410 4.264 7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.674 4.477 7.808 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.892 6.603 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.796 7.808 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.723 6.594 6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.500 6.262 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.220 7.455 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.034 5.887 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.942 5.990 6.831 1.00 0.00 H new ATOM 99 N TRP A 8 -4.013 3.832 4.173 1.00 0.00 N ATOM 100 CA TRP A 8 -2.712 3.812 3.519 1.00 0.00 C ATOM 101 C TRP A 8 -2.159 5.225 3.434 1.00 0.00 C ATOM 102 O TRP A 8 -2.901 6.173 3.162 1.00 0.00 O ATOM 103 CB TRP A 8 -2.822 3.219 2.115 1.00 0.00 C ATOM 104 CG TRP A 8 -3.255 1.789 2.111 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.488 1.308 2.431 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.459 0.651 1.762 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.509 -0.057 2.319 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.275 -0.486 1.902 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.137 0.487 1.347 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.810 -1.771 1.639 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.676 -0.789 1.086 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.511 -1.903 1.232 1.00 0.00 C ATOM 0 H TRP A 8 -4.792 4.022 3.542 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.038 3.190 4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.531 3.808 1.534 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.856 3.301 1.617 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.329 1.916 2.730 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.311 -0.656 2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.486 1.341 1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.451 -2.632 1.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.345 -0.929 0.764 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.121 -2.887 1.019 1.00 0.00 H new ATOM 123 N VAL A 9 -0.866 5.365 3.668 1.00 0.00 N ATOM 124 CA VAL A 9 -0.237 6.676 3.722 1.00 0.00 C ATOM 125 C VAL A 9 1.010 6.742 2.839 1.00 0.00 C ATOM 126 O VAL A 9 1.767 5.777 2.739 1.00 0.00 O ATOM 127 CB VAL A 9 0.156 7.028 5.177 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.829 8.387 5.252 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.054 6.987 6.098 1.00 0.00 C ATOM 0 H VAL A 9 -0.228 4.585 3.824 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.965 7.397 3.350 1.00 0.00 H new ATOM 0 HB VAL A 9 0.869 6.275 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.093 8.606 6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.732 8.380 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.146 9.152 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.747 7.238 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.797 7.707 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.486 5.986 6.087 1.00 0.00 H new ATOM 139 N ASP A 10 1.204 7.887 2.189 1.00 0.00 N ATOM 140 CA ASP A 10 2.451 8.180 1.480 1.00 0.00 C ATOM 141 C ASP A 10 3.555 8.406 2.501 1.00 0.00 C ATOM 142 O ASP A 10 3.298 8.805 3.632 1.00 0.00 O ATOM 143 CB ASP A 10 2.309 9.455 0.654 1.00 0.00 C ATOM 144 CG ASP A 10 3.367 9.633 -0.413 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.489 10.068 -0.065 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.059 9.414 -1.597 1.00 0.00 O ATOM 0 H ASP A 10 0.510 8.633 2.138 1.00 0.00 H new ATOM 0 HA ASP A 10 2.685 7.342 0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.328 9.458 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.340 10.313 1.325 1.00 0.00 H new ATOM 151 N ARG A 11 4.780 8.226 2.072 1.00 0.00 N ATOM 152 CA ARG A 11 5.929 8.302 2.965 1.00 0.00 C ATOM 153 C ARG A 11 6.279 9.756 3.217 1.00 0.00 C ATOM 154 O ARG A 11 6.855 10.102 4.248 1.00 0.00 O ATOM 155 CB ARG A 11 7.136 7.565 2.376 1.00 0.00 C ATOM 156 CG ARG A 11 8.371 7.556 3.275 1.00 0.00 C ATOM 157 CD ARG A 11 8.216 6.634 4.481 1.00 0.00 C ATOM 158 NE ARG A 11 7.250 7.134 5.464 1.00 0.00 N ATOM 159 CZ ARG A 11 6.788 6.417 6.492 1.00 0.00 C ATOM 160 NH1 ARG A 11 7.278 5.205 6.735 1.00 0.00 N ATOM 161 NH2 ARG A 11 5.874 6.932 7.303 1.00 0.00 N ATOM 0 H ARG A 11 5.017 8.023 1.101 1.00 0.00 H new ATOM 0 HA ARG A 11 5.668 7.820 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.849 6.535 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.398 8.026 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.237 7.242 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.570 8.570 3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.901 5.648 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.186 6.510 4.963 1.00 0.00 H new ATOM 0 HE ARG A 11 6.909 8.089 5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.008 4.821 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.923 4.660 7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.523 7.876 7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.522 6.384 8.088 1.00 0.00 H new ATOM 175 N SER A 12 5.920 10.604 2.266 1.00 0.00 N ATOM 176 CA SER A 12 6.108 12.034 2.417 1.00 0.00 C ATOM 177 C SER A 12 4.798 12.692 2.833 1.00 0.00 C ATOM 178 O SER A 12 4.693 13.917 2.904 1.00 0.00 O ATOM 179 CB SER A 12 6.648 12.646 1.119 1.00 0.00 C ATOM 180 OG SER A 12 5.857 12.287 -0.005 1.00 0.00 O ATOM 0 H SER A 12 5.497 10.324 1.381 1.00 0.00 H new ATOM 0 HA SER A 12 6.844 12.213 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.674 13.732 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.674 12.315 0.961 1.00 0.00 H new ATOM 0 HG SER A 12 5.740 11.314 -0.026 1.00 0.00 H new ATOM 186 N GLY A 13 3.804 11.857 3.121 1.00 0.00 N ATOM 187 CA GLY A 13 2.513 12.349 3.555 1.00 0.00 C ATOM 188 C GLY A 13 1.737 13.021 2.439 1.00 0.00 C ATOM 189 O GLY A 13 0.944 13.930 2.688 1.00 0.00 O ATOM 0 H GLY A 13 3.873 10.841 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.927 11.519 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.654 13.057 4.371 1.00 0.00 H new ATOM 193 N THR A 14 1.968 12.574 1.211 1.00 0.00 N ATOM 194 CA THR A 14 1.295 13.134 0.048 1.00 0.00 C ATOM 195 C THR A 14 -0.196 12.799 0.056 1.00 0.00 C ATOM 196 O THR A 14 -1.031 13.641 -0.275 1.00 0.00 O ATOM 197 CB THR A 14 1.928 12.614 -1.256 1.00 0.00 C ATOM 198 OG1 THR A 14 3.342 12.845 -1.232 1.00 0.00 O ATOM 199 CG2 THR A 14 1.321 13.295 -2.473 1.00 0.00 C ATOM 0 H THR A 14 2.621 11.820 0.995 1.00 0.00 H new ATOM 0 HA THR A 14 1.413 14.217 0.097 1.00 0.00 H new ATOM 0 HB THR A 14 1.728 11.545 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.755 12.277 -0.548 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.788 12.907 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.250 13.097 -2.504 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.489 14.370 -2.410 1.00 0.00 H new ATOM 207 N PHE A 15 -0.534 11.575 0.447 1.00 0.00 N ATOM 208 CA PHE A 15 -1.927 11.153 0.455 1.00 0.00 C ATOM 209 C PHE A 15 -2.191 10.105 1.525 1.00 0.00 C ATOM 210 O PHE A 15 -1.299 9.344 1.906 1.00 0.00 O ATOM 211 CB PHE A 15 -2.350 10.617 -0.926 1.00 0.00 C ATOM 212 CG PHE A 15 -1.451 9.541 -1.493 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.546 8.223 -1.061 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.513 9.852 -2.466 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.723 7.245 -1.588 1.00 0.00 C ATOM 216 CE2 PHE A 15 0.309 8.875 -2.997 1.00 0.00 C ATOM 217 CZ PHE A 15 0.204 7.571 -2.557 1.00 0.00 C ATOM 0 H PHE A 15 0.130 10.866 0.759 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.526 12.033 0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.363 10.222 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.383 11.450 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.271 7.960 -0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.423 10.871 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.806 6.226 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.033 9.132 -3.756 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.846 6.807 -2.970 1.00 0.00 H new ATOM 227 N LYS A 16 -3.418 10.112 2.024 1.00 0.00 N ATOM 228 CA LYS A 16 -3.912 9.086 2.928 1.00 0.00 C ATOM 229 C LYS A 16 -5.279 8.625 2.445 1.00 0.00 C ATOM 230 O LYS A 16 -6.136 9.449 2.121 1.00 0.00 O ATOM 231 CB LYS A 16 -4.016 9.624 4.357 1.00 0.00 C ATOM 232 CG LYS A 16 -2.702 10.163 4.904 1.00 0.00 C ATOM 233 CD LYS A 16 -2.859 10.703 6.316 1.00 0.00 C ATOM 234 CE LYS A 16 -1.536 11.217 6.862 1.00 0.00 C ATOM 235 NZ LYS A 16 -1.698 11.888 8.177 1.00 0.00 N ATOM 0 H LYS A 16 -4.104 10.836 1.811 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.215 8.248 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.763 10.417 4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.372 8.828 5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.954 9.371 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.333 10.954 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.594 11.508 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.243 9.918 6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.838 10.386 6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.098 11.916 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.772 12.223 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.343 12.697 8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.092 11.214 8.864 1.00 0.00 H new ATOM 249 N VAL A 17 -5.475 7.321 2.373 1.00 0.00 N ATOM 250 CA VAL A 17 -6.726 6.759 1.868 1.00 0.00 C ATOM 251 C VAL A 17 -7.077 5.457 2.558 1.00 0.00 C ATOM 252 O VAL A 17 -6.203 4.672 2.907 1.00 0.00 O ATOM 253 CB VAL A 17 -6.683 6.491 0.346 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.364 7.615 -0.412 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.252 6.295 -0.140 1.00 0.00 C ATOM 0 H VAL A 17 -4.785 6.625 2.657 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.484 7.513 2.081 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.227 5.567 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.324 7.409 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.404 7.689 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.854 8.555 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.255 6.108 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.670 7.192 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.806 5.444 0.375 1.00 0.00 H new ATOM 265 N ASP A 18 -8.367 5.234 2.746 1.00 0.00 N ATOM 266 CA ASP A 18 -8.852 3.973 3.282 1.00 0.00 C ATOM 267 C ASP A 18 -9.212 3.030 2.152 1.00 0.00 C ATOM 268 O ASP A 18 -10.163 3.251 1.396 1.00 0.00 O ATOM 269 CB ASP A 18 -10.033 4.169 4.245 1.00 0.00 C ATOM 270 CG ASP A 18 -11.115 5.109 3.736 1.00 0.00 C ATOM 271 OD1 ASP A 18 -10.791 6.231 3.280 1.00 0.00 O ATOM 272 OD2 ASP A 18 -12.306 4.744 3.818 1.00 0.00 O ATOM 0 H ASP A 18 -9.099 5.912 2.535 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.047 3.527 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.482 3.197 4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.653 4.552 5.192 1.00 0.00 H new ATOM 277 N ALA A 19 -8.422 1.978 2.051 1.00 0.00 N ATOM 278 CA ALA A 19 -8.513 1.035 0.951 1.00 0.00 C ATOM 279 C ALA A 19 -7.855 -0.278 1.334 1.00 0.00 C ATOM 280 O ALA A 19 -7.192 -0.369 2.364 1.00 0.00 O ATOM 281 CB ALA A 19 -7.849 1.612 -0.292 1.00 0.00 C ATOM 0 H ALA A 19 -7.696 1.752 2.731 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.565 0.851 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.924 0.896 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.349 2.539 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.799 1.815 -0.082 1.00 0.00 H new ATOM 287 N GLU A 20 -8.056 -1.296 0.529 1.00 0.00 N ATOM 288 CA GLU A 20 -7.424 -2.578 0.771 1.00 0.00 C ATOM 289 C GLU A 20 -6.666 -3.018 -0.468 1.00 0.00 C ATOM 290 O GLU A 20 -7.137 -2.834 -1.590 1.00 0.00 O ATOM 291 CB GLU A 20 -8.463 -3.627 1.163 1.00 0.00 C ATOM 292 CG GLU A 20 -8.137 -4.336 2.469 1.00 0.00 C ATOM 293 CD GLU A 20 -6.860 -5.152 2.403 1.00 0.00 C ATOM 294 OE1 GLU A 20 -5.758 -4.565 2.487 1.00 0.00 O ATOM 295 OE2 GLU A 20 -6.954 -6.391 2.277 1.00 0.00 O ATOM 0 H GLU A 20 -8.651 -1.264 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.722 -2.473 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.438 -3.148 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.542 -4.366 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.047 -3.596 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.966 -4.991 2.736 1.00 0.00 H new ATOM 302 N PHE A 21 -5.495 -3.587 -0.258 1.00 0.00 N ATOM 303 CA PHE A 21 -4.643 -4.013 -1.361 1.00 0.00 C ATOM 304 C PHE A 21 -5.229 -5.241 -2.052 1.00 0.00 C ATOM 305 O PHE A 21 -5.562 -6.234 -1.408 1.00 0.00 O ATOM 306 CB PHE A 21 -3.207 -4.270 -0.867 1.00 0.00 C ATOM 307 CG PHE A 21 -2.422 -5.230 -1.714 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.666 -4.781 -2.787 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.437 -6.586 -1.433 1.00 0.00 C ATOM 310 CE1 PHE A 21 -0.946 -5.667 -3.555 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.719 -7.474 -2.204 1.00 0.00 C ATOM 312 CZ PHE A 21 -0.973 -7.014 -3.266 1.00 0.00 C ATOM 0 H PHE A 21 -5.107 -3.767 0.668 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.600 -3.211 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.674 -3.320 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.250 -4.655 0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.642 -3.727 -3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.018 -6.952 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.358 -5.306 -4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.741 -8.529 -1.976 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.410 -7.708 -3.872 1.00 0.00 H new ATOM 322 N ILE A 22 -5.364 -5.154 -3.366 1.00 0.00 N ATOM 323 CA ILE A 22 -5.946 -6.232 -4.149 1.00 0.00 C ATOM 324 C ILE A 22 -4.870 -6.955 -4.949 1.00 0.00 C ATOM 325 O ILE A 22 -4.814 -8.186 -4.977 1.00 0.00 O ATOM 326 CB ILE A 22 -7.003 -5.703 -5.140 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.502 -4.322 -4.726 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.174 -6.665 -5.221 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.401 -3.680 -5.756 1.00 0.00 C ATOM 0 H ILE A 22 -5.077 -4.344 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.418 -6.916 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.532 -5.621 -6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.043 -4.406 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.645 -3.672 -4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.913 -6.280 -5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.822 -7.639 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.629 -6.768 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.721 -2.701 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.857 -3.565 -6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.275 -4.310 -5.919 1.00 0.00 H new ATOM 341 N GLY A 23 -4.025 -6.175 -5.606 1.00 0.00 N ATOM 342 CA GLY A 23 -2.984 -6.733 -6.441 1.00 0.00 C ATOM 343 C GLY A 23 -1.809 -5.794 -6.566 1.00 0.00 C ATOM 344 O GLY A 23 -1.961 -4.585 -6.415 1.00 0.00 O ATOM 0 H GLY A 23 -4.043 -5.156 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.649 -7.682 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.386 -6.947 -7.431 1.00 0.00 H new ATOM 348 N CYS A 24 -0.633 -6.337 -6.813 1.00 0.00 N ATOM 349 CA CYS A 24 0.558 -5.517 -6.942 1.00 0.00 C ATOM 350 C CYS A 24 1.063 -5.571 -8.377 1.00 0.00 C ATOM 351 O CYS A 24 1.143 -6.647 -8.976 1.00 0.00 O ATOM 352 CB CYS A 24 1.635 -5.987 -5.959 1.00 0.00 C ATOM 353 SG CYS A 24 2.363 -7.596 -6.362 1.00 0.00 S ATOM 0 H CYS A 24 -0.476 -7.338 -6.928 1.00 0.00 H new ATOM 0 HA CYS A 24 0.314 -4.483 -6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.429 -5.241 -5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.201 -6.038 -4.960 1.00 0.00 H new ATOM 0 HG CYS A 24 2.153 -7.865 -7.616 1.00 0.00 H new ATOM 359 N ALA A 25 1.397 -4.417 -8.933 1.00 0.00 N ATOM 360 CA ALA A 25 1.763 -4.342 -10.338 1.00 0.00 C ATOM 361 C ALA A 25 3.118 -3.676 -10.529 1.00 0.00 C ATOM 362 O ALA A 25 3.219 -2.450 -10.527 1.00 0.00 O ATOM 363 CB ALA A 25 0.691 -3.592 -11.116 1.00 0.00 C ATOM 0 H ALA A 25 1.422 -3.526 -8.437 1.00 0.00 H new ATOM 0 HA ALA A 25 1.839 -5.360 -10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.973 -3.541 -12.168 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.261 -4.115 -11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.591 -2.582 -10.717 1.00 0.00 H new ATOM 369 N LYS A 26 4.156 -4.500 -10.673 1.00 0.00 N ATOM 370 CA LYS A 26 5.501 -4.026 -11.009 1.00 0.00 C ATOM 371 C LYS A 26 6.027 -3.012 -9.994 1.00 0.00 C ATOM 372 O LYS A 26 6.908 -2.209 -10.306 1.00 0.00 O ATOM 373 CB LYS A 26 5.503 -3.415 -12.414 1.00 0.00 C ATOM 374 CG LYS A 26 5.124 -4.404 -13.505 1.00 0.00 C ATOM 375 CD LYS A 26 6.168 -5.498 -13.644 1.00 0.00 C ATOM 376 CE LYS A 26 5.742 -6.566 -14.638 1.00 0.00 C ATOM 377 NZ LYS A 26 5.378 -5.994 -15.962 1.00 0.00 N ATOM 0 H LYS A 26 4.090 -5.512 -10.561 1.00 0.00 H new ATOM 0 HA LYS A 26 6.168 -4.887 -10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.808 -2.576 -12.438 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.494 -3.014 -12.626 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.156 -4.849 -13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.016 -3.879 -14.454 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.113 -5.059 -13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.344 -5.957 -12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.552 -7.284 -14.766 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.890 -7.115 -14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.226 -6.765 -16.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.506 -5.435 -15.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.148 -5.381 -16.299 1.00 0.00 H new ATOM 391 N GLY A 27 5.497 -3.058 -8.781 1.00 0.00 N ATOM 392 CA GLY A 27 5.917 -2.123 -7.760 1.00 0.00 C ATOM 393 C GLY A 27 4.810 -1.170 -7.361 1.00 0.00 C ATOM 394 O GLY A 27 4.961 -0.388 -6.428 1.00 0.00 O ATOM 0 H GLY A 27 4.784 -3.726 -8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.252 -2.674 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.771 -1.552 -8.123 1.00 0.00 H new ATOM 398 N LYS A 28 3.703 -1.215 -8.084 1.00 0.00 N ATOM 399 CA LYS A 28 2.541 -0.413 -7.741 1.00 0.00 C ATOM 400 C LYS A 28 1.572 -1.203 -6.880 1.00 0.00 C ATOM 401 O LYS A 28 1.595 -2.436 -6.865 1.00 0.00 O ATOM 402 CB LYS A 28 1.812 0.059 -8.992 1.00 0.00 C ATOM 403 CG LYS A 28 2.578 1.065 -9.824 1.00 0.00 C ATOM 404 CD LYS A 28 1.713 1.578 -10.960 1.00 0.00 C ATOM 405 CE LYS A 28 2.424 2.642 -11.780 1.00 0.00 C ATOM 406 NZ LYS A 28 3.711 2.148 -12.339 1.00 0.00 N ATOM 0 H LYS A 28 3.585 -1.799 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 28 2.901 0.452 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.583 -0.808 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.860 0.500 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.897 1.897 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.480 0.603 -10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.435 0.747 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.789 1.990 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.776 2.965 -12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.612 3.516 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.071 2.830 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.404 2.040 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.559 1.228 -12.800 1.00 0.00 H new ATOM 420 N ILE A 29 0.711 -0.482 -6.186 1.00 0.00 N ATOM 421 CA ILE A 29 -0.283 -1.082 -5.323 1.00 0.00 C ATOM 422 C ILE A 29 -1.678 -0.812 -5.879 1.00 0.00 C ATOM 423 O ILE A 29 -2.103 0.344 -5.979 1.00 0.00 O ATOM 424 CB ILE A 29 -0.205 -0.513 -3.888 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.250 -0.347 -3.437 1.00 0.00 C ATOM 426 CG2 ILE A 29 -0.956 -1.416 -2.925 1.00 0.00 C ATOM 427 CD1 ILE A 29 2.046 -1.635 -3.406 1.00 0.00 C ATOM 0 H ILE A 29 0.683 0.537 -6.207 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.086 -2.153 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.672 0.472 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.747 0.357 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.261 0.097 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.894 -1.005 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.001 -1.481 -3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.512 -2.412 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.064 -1.426 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.577 -2.336 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.071 -2.072 -4.404 1.00 0.00 H new ATOM 439 N HIS A 30 -2.372 -1.869 -6.267 1.00 0.00 N ATOM 440 CA HIS A 30 -3.741 -1.763 -6.709 1.00 0.00 C ATOM 441 C HIS A 30 -4.653 -1.865 -5.498 1.00 0.00 C ATOM 442 O HIS A 30 -4.654 -2.883 -4.804 1.00 0.00 O ATOM 443 CB HIS A 30 -4.028 -2.879 -7.704 1.00 0.00 C ATOM 444 CG HIS A 30 -4.158 -2.405 -9.118 1.00 0.00 C ATOM 445 ND1 HIS A 30 -5.262 -2.657 -9.898 1.00 0.00 N ATOM 446 CD2 HIS A 30 -3.305 -1.697 -9.894 1.00 0.00 C ATOM 447 CE1 HIS A 30 -5.085 -2.124 -11.092 1.00 0.00 C ATOM 448 NE2 HIS A 30 -3.906 -1.534 -11.117 1.00 0.00 N ATOM 0 H HIS A 30 -1.999 -2.818 -6.282 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.917 -0.807 -7.201 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.228 -3.617 -7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.949 -3.385 -7.414 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.332 -1.329 -9.605 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.788 -2.164 -11.911 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -3.507 -1.038 -11.914 1.00 0.00 H new ATOM 457 N LEU A 31 -5.409 -0.813 -5.232 1.00 0.00 N ATOM 458 CA LEU A 31 -6.160 -0.724 -3.988 1.00 0.00 C ATOM 459 C LEU A 31 -7.655 -0.609 -4.227 1.00 0.00 C ATOM 460 O LEU A 31 -8.109 0.088 -5.136 1.00 0.00 O ATOM 461 CB LEU A 31 -5.685 0.474 -3.160 1.00 0.00 C ATOM 462 CG LEU A 31 -4.242 0.392 -2.656 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.820 1.701 -2.012 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.100 -0.743 -1.663 1.00 0.00 C ATOM 0 H LEU A 31 -5.520 -0.013 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.976 -1.649 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.791 1.376 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.346 0.586 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.592 0.203 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.791 1.619 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.891 2.506 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.475 1.919 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.069 -0.792 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.765 -0.571 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.364 -1.684 -2.146 1.00 0.00 H new ATOM 476 N HIS A 32 -8.405 -1.307 -3.395 1.00 0.00 N ATOM 477 CA HIS A 32 -9.854 -1.243 -3.410 1.00 0.00 C ATOM 478 C HIS A 32 -10.319 -0.303 -2.311 1.00 0.00 C ATOM 479 O HIS A 32 -10.195 -0.613 -1.127 1.00 0.00 O ATOM 480 CB HIS A 32 -10.451 -2.642 -3.209 1.00 0.00 C ATOM 481 CG HIS A 32 -11.950 -2.673 -3.185 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.684 -2.887 -2.038 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.851 -2.536 -4.183 1.00 0.00 C ATOM 484 CE1 HIS A 32 -13.969 -2.885 -2.333 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.102 -2.675 -3.630 1.00 0.00 N ATOM 0 H HIS A 32 -8.025 -1.936 -2.688 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.193 -0.867 -4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.098 -3.294 -4.008 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.075 -3.054 -2.272 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -12.294 -3.025 -1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.629 -2.351 -5.224 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.777 -3.031 -1.632 1.00 0.00 H new ATOM 494 N LYS A 33 -10.837 0.845 -2.709 1.00 0.00 N ATOM 495 CA LYS A 33 -11.273 1.861 -1.765 1.00 0.00 C ATOM 496 C LYS A 33 -12.458 1.351 -0.970 1.00 0.00 C ATOM 497 O LYS A 33 -13.208 0.485 -1.431 1.00 0.00 O ATOM 498 CB LYS A 33 -11.673 3.144 -2.501 1.00 0.00 C ATOM 499 CG LYS A 33 -10.639 3.639 -3.498 1.00 0.00 C ATOM 500 CD LYS A 33 -9.326 4.014 -2.828 1.00 0.00 C ATOM 501 CE LYS A 33 -9.480 5.218 -1.914 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.025 6.403 -2.621 1.00 0.00 N ATOM 0 H LYS A 33 -10.967 1.099 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.445 2.082 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.613 2.971 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.858 3.928 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.456 2.865 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.034 4.505 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.957 3.166 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.578 4.231 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.139 4.959 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.511 5.470 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.891 7.250 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.527 6.527 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.040 6.263 -2.801 1.00 0.00 H new ATOM 516 N ALA A 34 -12.628 1.910 0.217 1.00 0.00 N ATOM 517 CA ALA A 34 -13.699 1.518 1.118 1.00 0.00 C ATOM 518 C ALA A 34 -15.076 1.766 0.507 1.00 0.00 C ATOM 519 O ALA A 34 -16.079 1.241 0.987 1.00 0.00 O ATOM 520 CB ALA A 34 -13.563 2.273 2.426 1.00 0.00 C ATOM 0 H ALA A 34 -12.027 2.649 0.583 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.612 0.447 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.366 1.979 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.601 2.039 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.623 3.345 2.236 1.00 0.00 H new ATOM 526 N ASN A 35 -15.114 2.563 -0.558 1.00 0.00 N ATOM 527 CA ASN A 35 -16.369 2.892 -1.224 1.00 0.00 C ATOM 528 C ASN A 35 -16.489 2.128 -2.545 1.00 0.00 C ATOM 529 O ASN A 35 -17.202 2.537 -3.460 1.00 0.00 O ATOM 530 CB ASN A 35 -16.454 4.402 -1.468 1.00 0.00 C ATOM 531 CG ASN A 35 -17.885 4.904 -1.586 1.00 0.00 C ATOM 532 OD1 ASN A 35 -18.784 4.188 -2.021 1.00 0.00 O ATOM 533 ND2 ASN A 35 -18.103 6.147 -1.195 1.00 0.00 N ATOM 0 H ASN A 35 -14.289 2.992 -0.977 1.00 0.00 H new ATOM 0 HA ASN A 35 -17.197 2.595 -0.580 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.957 4.925 -0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.912 4.648 -2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -19.042 6.541 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -17.332 6.712 -0.839 1.00 0.00 H new ATOM 540 N GLY A 36 -15.752 1.031 -2.658 1.00 0.00 N ATOM 541 CA GLY A 36 -15.880 0.167 -3.820 1.00 0.00 C ATOM 542 C GLY A 36 -14.998 0.585 -4.985 1.00 0.00 C ATOM 543 O GLY A 36 -14.768 -0.201 -5.904 1.00 0.00 O ATOM 0 H GLY A 36 -15.068 0.722 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.630 -0.854 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.920 0.161 -4.146 1.00 0.00 H new ATOM 547 N VAL A 37 -14.501 1.816 -4.942 1.00 0.00 N ATOM 548 CA VAL A 37 -13.659 2.350 -6.013 1.00 0.00 C ATOM 549 C VAL A 37 -12.326 1.598 -6.065 1.00 0.00 C ATOM 550 O VAL A 37 -11.898 1.021 -5.070 1.00 0.00 O ATOM 551 CB VAL A 37 -13.396 3.863 -5.805 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.718 4.479 -7.020 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.691 4.597 -5.483 1.00 0.00 C ATOM 0 H VAL A 37 -14.666 2.467 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.186 2.213 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.720 3.968 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.547 5.541 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.764 3.982 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.357 4.356 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.483 5.657 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.394 4.473 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.124 4.187 -4.571 1.00 0.00 H new ATOM 563 N LYS A 38 -11.687 1.578 -7.224 1.00 0.00 N ATOM 564 CA LYS A 38 -10.400 0.916 -7.369 1.00 0.00 C ATOM 565 C LYS A 38 -9.354 1.896 -7.881 1.00 0.00 C ATOM 566 O LYS A 38 -9.540 2.538 -8.916 1.00 0.00 O ATOM 567 CB LYS A 38 -10.531 -0.268 -8.321 1.00 0.00 C ATOM 568 CG LYS A 38 -9.305 -1.166 -8.385 1.00 0.00 C ATOM 569 CD LYS A 38 -9.613 -2.461 -9.124 1.00 0.00 C ATOM 570 CE LYS A 38 -10.685 -3.269 -8.402 1.00 0.00 C ATOM 571 NZ LYS A 38 -11.064 -4.493 -9.152 1.00 0.00 N ATOM 0 H LYS A 38 -12.038 2.012 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.079 0.551 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.389 -0.868 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.742 0.109 -9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.492 -0.642 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.963 -1.392 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.946 -2.234 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.704 -3.056 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.322 -3.549 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.568 -2.647 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.795 -5.011 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.435 -4.227 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.228 -5.100 -9.271 1.00 0.00 H new ATOM 585 N ILE A 39 -8.256 2.002 -7.152 1.00 0.00 N ATOM 586 CA ILE A 39 -7.202 2.958 -7.480 1.00 0.00 C ATOM 587 C ILE A 39 -5.869 2.244 -7.685 1.00 0.00 C ATOM 588 O ILE A 39 -5.771 1.026 -7.504 1.00 0.00 O ATOM 589 CB ILE A 39 -7.025 4.027 -6.376 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.465 3.398 -5.097 1.00 0.00 C ATOM 591 CG2 ILE A 39 -8.349 4.727 -6.092 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.071 4.411 -4.043 1.00 0.00 C ATOM 0 H ILE A 39 -8.067 1.437 -6.324 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.507 3.453 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.311 4.770 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.211 2.722 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.594 2.794 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.205 5.476 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.706 5.213 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.084 3.994 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.683 3.892 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.302 5.072 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.944 4.999 -3.760 1.00 0.00 H new ATOM 604 N ALA A 40 -4.845 3.004 -8.051 1.00 0.00 N ATOM 605 CA ALA A 40 -3.514 2.455 -8.241 1.00 0.00 C ATOM 606 C ALA A 40 -2.455 3.482 -7.884 1.00 0.00 C ATOM 607 O ALA A 40 -2.364 4.535 -8.515 1.00 0.00 O ATOM 608 CB ALA A 40 -3.318 1.993 -9.677 1.00 0.00 C ATOM 0 H ALA A 40 -4.914 4.007 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.411 1.595 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.314 1.586 -9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.052 1.223 -9.915 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.448 2.839 -10.352 1.00 0.00 H new ATOM 614 N VAL A 41 -1.667 3.180 -6.870 1.00 0.00 N ATOM 615 CA VAL A 41 -0.538 4.023 -6.505 1.00 0.00 C ATOM 616 C VAL A 41 0.733 3.216 -6.656 1.00 0.00 C ATOM 617 O VAL A 41 0.675 2.004 -6.794 1.00 0.00 O ATOM 618 CB VAL A 41 -0.634 4.555 -5.057 1.00 0.00 C ATOM 619 CG1 VAL A 41 -2.005 5.155 -4.777 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.297 3.466 -4.055 1.00 0.00 C ATOM 0 H VAL A 41 -1.786 2.356 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.540 4.890 -7.166 1.00 0.00 H new ATOM 0 HB VAL A 41 0.102 5.352 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.040 5.520 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.187 5.983 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.771 4.393 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.372 3.866 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.995 2.637 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.719 3.112 -4.231 1.00 0.00 H new ATOM 630 N ALA A 42 1.872 3.868 -6.660 1.00 0.00 N ATOM 631 CA ALA A 42 3.130 3.150 -6.684 1.00 0.00 C ATOM 632 C ALA A 42 3.683 3.040 -5.269 1.00 0.00 C ATOM 633 O ALA A 42 3.685 4.018 -4.520 1.00 0.00 O ATOM 634 CB ALA A 42 4.113 3.839 -7.608 1.00 0.00 C ATOM 0 H ALA A 42 1.957 4.884 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 42 2.965 2.143 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.053 3.288 -7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.703 3.870 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.291 4.855 -7.257 1.00 0.00 H new ATOM 640 N ALA A 43 4.142 1.845 -4.906 1.00 0.00 N ATOM 641 CA ALA A 43 4.597 1.560 -3.538 1.00 0.00 C ATOM 642 C ALA A 43 5.865 2.317 -3.172 1.00 0.00 C ATOM 643 O ALA A 43 6.292 2.307 -2.021 1.00 0.00 O ATOM 644 CB ALA A 43 4.849 0.073 -3.371 1.00 0.00 C ATOM 0 H ALA A 43 4.211 1.050 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 43 3.803 1.892 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.186 -0.127 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.927 -0.476 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.616 -0.248 -4.077 1.00 0.00 H new ATOM 650 N ASP A 44 6.455 2.970 -4.150 1.00 0.00 N ATOM 651 CA ASP A 44 7.772 3.577 -3.972 1.00 0.00 C ATOM 652 C ASP A 44 7.738 4.814 -3.083 1.00 0.00 C ATOM 653 O ASP A 44 8.734 5.133 -2.434 1.00 0.00 O ATOM 654 CB ASP A 44 8.418 3.934 -5.306 1.00 0.00 C ATOM 655 CG ASP A 44 7.787 5.134 -5.986 1.00 0.00 C ATOM 656 OD1 ASP A 44 6.764 4.963 -6.676 1.00 0.00 O ATOM 657 OD2 ASP A 44 8.335 6.251 -5.860 1.00 0.00 O ATOM 0 H ASP A 44 6.051 3.098 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 44 8.374 2.817 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.477 4.134 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.354 3.074 -5.973 1.00 0.00 H new ATOM 662 N LYS A 45 6.621 5.526 -3.054 1.00 0.00 N ATOM 663 CA LYS A 45 6.514 6.682 -2.170 1.00 0.00 C ATOM 664 C LYS A 45 5.595 6.358 -1.021 1.00 0.00 C ATOM 665 O LYS A 45 5.132 7.240 -0.312 1.00 0.00 O ATOM 666 CB LYS A 45 6.003 7.942 -2.882 1.00 0.00 C ATOM 667 CG LYS A 45 4.633 7.796 -3.520 1.00 0.00 C ATOM 668 CD LYS A 45 4.699 7.178 -4.901 1.00 0.00 C ATOM 669 CE LYS A 45 3.319 7.117 -5.527 1.00 0.00 C ATOM 670 NZ LYS A 45 2.664 8.452 -5.550 1.00 0.00 N ATOM 0 H LYS A 45 5.793 5.332 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 45 7.521 6.898 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.969 8.761 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.720 8.224 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.001 7.180 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.160 8.776 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.366 7.762 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.119 6.174 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.398 6.733 -6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.697 6.417 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.745 8.379 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.520 8.785 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.269 9.127 -6.060 1.00 0.00 H new ATOM 684 N LEU A 46 5.328 5.085 -0.843 1.00 0.00 N ATOM 685 CA LEU A 46 4.396 4.660 0.178 1.00 0.00 C ATOM 686 C LEU A 46 5.104 4.537 1.520 1.00 0.00 C ATOM 687 O LEU A 46 6.329 4.437 1.584 1.00 0.00 O ATOM 688 CB LEU A 46 3.785 3.331 -0.232 1.00 0.00 C ATOM 689 CG LEU A 46 2.334 3.114 0.176 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.443 4.229 -0.362 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.870 1.772 -0.341 1.00 0.00 C ATOM 0 H LEU A 46 5.740 4.328 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 46 3.604 5.401 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.855 3.239 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.387 2.529 0.195 1.00 0.00 H new ATOM 0 HG LEU A 46 2.264 3.130 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.412 4.050 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.778 5.187 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.501 4.248 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.831 1.610 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.952 1.753 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.492 0.984 0.084 1.00 0.00 H new ATOM 703 N SER A 47 4.331 4.566 2.590 1.00 0.00 N ATOM 704 CA SER A 47 4.887 4.423 3.922 1.00 0.00 C ATOM 705 C SER A 47 5.347 2.988 4.140 1.00 0.00 C ATOM 706 O SER A 47 4.651 2.030 3.805 1.00 0.00 O ATOM 707 CB SER A 47 3.864 4.845 4.977 1.00 0.00 C ATOM 708 OG SER A 47 3.458 6.184 4.773 1.00 0.00 O ATOM 0 H SER A 47 3.319 4.687 2.563 1.00 0.00 H new ATOM 0 HA SER A 47 5.753 5.078 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.997 4.186 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.296 4.738 5.972 1.00 0.00 H new ATOM 0 HG SER A 47 3.027 6.265 3.897 1.00 0.00 H new ATOM 714 N ASN A 48 6.547 2.872 4.686 1.00 0.00 N ATOM 715 CA ASN A 48 7.253 1.599 4.811 1.00 0.00 C ATOM 716 C ASN A 48 6.444 0.581 5.592 1.00 0.00 C ATOM 717 O ASN A 48 6.559 -0.622 5.363 1.00 0.00 O ATOM 718 CB ASN A 48 8.583 1.811 5.518 1.00 0.00 C ATOM 719 CG ASN A 48 9.356 2.997 4.970 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.260 3.325 3.792 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.097 3.671 5.830 1.00 0.00 N ATOM 0 H ASN A 48 7.067 3.666 5.060 1.00 0.00 H new ATOM 0 HA ASN A 48 7.413 1.216 3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.404 1.960 6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.189 0.911 5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.614 4.495 5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.153 3.368 6.802 1.00 0.00 H new ATOM 728 N GLU A 49 5.638 1.073 6.517 1.00 0.00 N ATOM 729 CA GLU A 49 4.786 0.249 7.322 1.00 0.00 C ATOM 730 C GLU A 49 3.735 -0.404 6.438 1.00 0.00 C ATOM 731 O GLU A 49 3.489 -1.614 6.508 1.00 0.00 O ATOM 732 CB GLU A 49 4.135 1.139 8.376 1.00 0.00 C ATOM 733 CG GLU A 49 5.085 1.637 9.465 1.00 0.00 C ATOM 734 CD GLU A 49 6.240 2.459 8.923 1.00 0.00 C ATOM 735 OE1 GLU A 49 6.014 3.606 8.485 1.00 0.00 O ATOM 736 OE2 GLU A 49 7.376 1.951 8.907 1.00 0.00 O ATOM 0 H GLU A 49 5.564 2.069 6.724 1.00 0.00 H new ATOM 0 HA GLU A 49 5.354 -0.542 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.689 2.001 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.322 0.587 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.524 2.239 10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.482 0.781 10.011 1.00 0.00 H new ATOM 743 N ASP A 50 3.145 0.418 5.582 1.00 0.00 N ATOM 744 CA ASP A 50 2.187 -0.008 4.614 1.00 0.00 C ATOM 745 C ASP A 50 2.811 -1.040 3.686 1.00 0.00 C ATOM 746 O ASP A 50 2.162 -2.017 3.314 1.00 0.00 O ATOM 747 CB ASP A 50 1.729 1.218 3.828 1.00 0.00 C ATOM 748 CG ASP A 50 1.160 2.324 4.709 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.846 2.751 5.667 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.039 2.791 4.437 1.00 0.00 O ATOM 0 H ASP A 50 3.335 1.420 5.554 1.00 0.00 H new ATOM 0 HA ASP A 50 1.331 -0.472 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.572 1.613 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.972 0.915 3.104 1.00 0.00 H new ATOM 755 N LEU A 51 4.090 -0.843 3.340 1.00 0.00 N ATOM 756 CA LEU A 51 4.783 -1.790 2.477 1.00 0.00 C ATOM 757 C LEU A 51 4.999 -3.112 3.188 1.00 0.00 C ATOM 758 O LEU A 51 4.741 -4.164 2.618 1.00 0.00 O ATOM 759 CB LEU A 51 6.135 -1.250 1.990 1.00 0.00 C ATOM 760 CG LEU A 51 6.085 -0.232 0.849 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.737 -0.268 0.149 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.407 1.162 1.349 1.00 0.00 C ATOM 0 H LEU A 51 4.653 -0.048 3.642 1.00 0.00 H new ATOM 0 HA LEU A 51 4.143 -1.942 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.645 -0.791 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.746 -2.094 1.669 1.00 0.00 H new ATOM 0 HG LEU A 51 6.847 -0.506 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.726 0.465 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.567 -1.263 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.949 -0.031 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.364 1.866 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.681 1.453 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.408 1.171 1.781 1.00 0.00 H new ATOM 774 N ALA A 52 5.439 -3.050 4.440 1.00 0.00 N ATOM 775 CA ALA A 52 5.710 -4.247 5.222 1.00 0.00 C ATOM 776 C ALA A 52 4.439 -5.058 5.380 1.00 0.00 C ATOM 777 O ALA A 52 4.474 -6.282 5.524 1.00 0.00 O ATOM 778 CB ALA A 52 6.278 -3.878 6.583 1.00 0.00 C ATOM 0 H ALA A 52 5.616 -2.177 4.936 1.00 0.00 H new ATOM 0 HA ALA A 52 6.450 -4.850 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.474 -4.786 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.207 -3.324 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.560 -3.259 7.121 1.00 0.00 H new ATOM 784 N TYR A 53 3.320 -4.357 5.355 1.00 0.00 N ATOM 785 CA TYR A 53 2.019 -4.990 5.393 1.00 0.00 C ATOM 786 C TYR A 53 1.681 -5.652 4.051 1.00 0.00 C ATOM 787 O TYR A 53 1.382 -6.847 3.991 1.00 0.00 O ATOM 788 CB TYR A 53 0.983 -3.923 5.749 1.00 0.00 C ATOM 789 CG TYR A 53 -0.451 -4.320 5.481 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.078 -5.319 6.215 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.176 -3.683 4.486 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.392 -5.670 5.959 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.484 -4.024 4.225 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.092 -5.021 4.961 1.00 0.00 C ATOM 795 OH TYR A 53 -4.403 -5.362 4.709 1.00 0.00 O ATOM 0 H TYR A 53 3.289 -3.339 5.308 1.00 0.00 H new ATOM 0 HA TYR A 53 2.018 -5.780 6.144 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.086 -3.675 6.805 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.206 -3.017 5.186 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.533 -5.828 6.996 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.706 -2.904 3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.868 -6.448 6.537 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.032 -3.513 3.447 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.685 -4.969 3.857 1.00 0.00 H new ATOM 805 N VAL A 54 1.798 -4.903 2.965 1.00 0.00 N ATOM 806 CA VAL A 54 1.378 -5.404 1.661 1.00 0.00 C ATOM 807 C VAL A 54 2.323 -6.490 1.156 1.00 0.00 C ATOM 808 O VAL A 54 1.897 -7.447 0.498 1.00 0.00 O ATOM 809 CB VAL A 54 1.233 -4.264 0.628 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.431 -3.363 0.622 1.00 0.00 C ATOM 811 CG2 VAL A 54 0.971 -4.810 -0.763 1.00 0.00 C ATOM 0 H VAL A 54 2.176 -3.956 2.957 1.00 0.00 H new ATOM 0 HA VAL A 54 0.392 -5.852 1.789 1.00 0.00 H new ATOM 0 HB VAL A 54 0.371 -3.670 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.290 -2.575 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.556 -2.917 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.320 -3.941 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.874 -3.983 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.801 -5.448 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.049 -5.392 -0.758 1.00 0.00 H new ATOM 821 N GLU A 55 3.600 -6.365 1.487 1.00 0.00 N ATOM 822 CA GLU A 55 4.558 -7.406 1.148 1.00 0.00 C ATOM 823 C GLU A 55 4.258 -8.669 1.942 1.00 0.00 C ATOM 824 O GLU A 55 4.581 -9.774 1.511 1.00 0.00 O ATOM 825 CB GLU A 55 6.005 -6.955 1.373 1.00 0.00 C ATOM 826 CG GLU A 55 6.341 -6.546 2.796 1.00 0.00 C ATOM 827 CD GLU A 55 7.809 -6.699 3.126 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.240 -7.821 3.451 1.00 0.00 O ATOM 829 OE2 GLU A 55 8.544 -5.693 3.064 1.00 0.00 O ATOM 0 H GLU A 55 3.993 -5.565 1.983 1.00 0.00 H new ATOM 0 HA GLU A 55 4.453 -7.618 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.671 -7.766 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.214 -6.114 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.047 -5.508 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.754 -7.149 3.489 1.00 0.00 H new ATOM 836 N LYS A 56 3.611 -8.506 3.089 1.00 0.00 N ATOM 837 CA LYS A 56 3.178 -9.639 3.877 1.00 0.00 C ATOM 838 C LYS A 56 2.036 -10.333 3.143 1.00 0.00 C ATOM 839 O LYS A 56 2.020 -11.557 3.002 1.00 0.00 O ATOM 840 CB LYS A 56 2.725 -9.160 5.260 1.00 0.00 C ATOM 841 CG LYS A 56 2.814 -10.213 6.348 1.00 0.00 C ATOM 842 CD LYS A 56 1.809 -11.343 6.160 1.00 0.00 C ATOM 843 CE LYS A 56 0.388 -10.815 6.030 1.00 0.00 C ATOM 844 NZ LYS A 56 -0.605 -11.916 5.917 1.00 0.00 N ATOM 0 H LYS A 56 3.377 -7.597 3.489 1.00 0.00 H new ATOM 0 HA LYS A 56 3.998 -10.344 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.332 -8.302 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.694 -8.812 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.822 -10.628 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.648 -9.743 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.068 -11.916 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.867 -12.027 7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.149 -10.198 6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.319 -10.172 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.560 -11.514 5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.393 -12.490 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.557 -12.515 6.766 1.00 0.00 H new ATOM 858 N ILE A 57 1.089 -9.528 2.669 1.00 0.00 N ATOM 859 CA ILE A 57 -0.059 -10.029 1.914 1.00 0.00 C ATOM 860 C ILE A 57 0.393 -10.834 0.701 1.00 0.00 C ATOM 861 O ILE A 57 -0.136 -11.907 0.419 1.00 0.00 O ATOM 862 CB ILE A 57 -0.953 -8.873 1.421 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.347 -7.967 2.584 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.199 -9.419 0.728 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.093 -6.726 2.150 1.00 0.00 C ATOM 0 H ILE A 57 1.094 -8.516 2.796 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.627 -10.667 2.592 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.385 -8.284 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.968 -8.531 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.448 -7.671 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.818 -8.590 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.903 -10.027 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.767 -10.031 1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.343 -6.127 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.466 -6.141 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.009 -7.014 1.634 1.00 0.00 H new ATOM 877 N THR A 58 1.385 -10.308 0.004 1.00 0.00 N ATOM 878 CA THR A 58 1.853 -10.907 -1.239 1.00 0.00 C ATOM 879 C THR A 58 2.788 -12.087 -0.998 1.00 0.00 C ATOM 880 O THR A 58 2.658 -13.133 -1.635 1.00 0.00 O ATOM 881 CB THR A 58 2.578 -9.869 -2.112 1.00 0.00 C ATOM 882 OG1 THR A 58 3.442 -9.063 -1.299 1.00 0.00 O ATOM 883 CG2 THR A 58 1.589 -8.983 -2.841 1.00 0.00 C ATOM 0 H THR A 58 1.886 -9.463 0.278 1.00 0.00 H new ATOM 0 HA THR A 58 0.964 -11.270 -1.755 1.00 0.00 H new ATOM 0 HB THR A 58 3.171 -10.405 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.907 -8.415 -0.796 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.130 -8.259 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.955 -9.596 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.969 -8.456 -2.116 1.00 0.00 H new ATOM 891 N GLY A 59 3.724 -11.913 -0.078 1.00 0.00 N ATOM 892 CA GLY A 59 4.740 -12.918 0.148 1.00 0.00 C ATOM 893 C GLY A 59 6.102 -12.396 -0.241 1.00 0.00 C ATOM 894 O GLY A 59 7.132 -12.975 0.109 1.00 0.00 O ATOM 0 H GLY A 59 3.798 -11.089 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.743 -13.210 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.509 -13.812 -0.430 1.00 0.00 H new ATOM 898 N PHE A 60 6.092 -11.283 -0.964 1.00 0.00 N ATOM 899 CA PHE A 60 7.312 -10.613 -1.379 1.00 0.00 C ATOM 900 C PHE A 60 7.858 -9.777 -0.230 1.00 0.00 C ATOM 901 O PHE A 60 7.427 -9.915 0.915 1.00 0.00 O ATOM 902 CB PHE A 60 7.040 -9.694 -2.576 1.00 0.00 C ATOM 903 CG PHE A 60 6.533 -10.398 -3.804 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.377 -11.195 -4.561 1.00 0.00 C ATOM 905 CD2 PHE A 60 5.213 -10.255 -4.204 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.912 -11.836 -5.695 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.746 -10.893 -5.337 1.00 0.00 C ATOM 908 CZ PHE A 60 5.596 -11.685 -6.083 1.00 0.00 C ATOM 0 H PHE A 60 5.238 -10.822 -1.277 1.00 0.00 H new ATOM 0 HA PHE A 60 8.040 -11.372 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.312 -8.939 -2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.960 -9.167 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.408 -11.317 -4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.543 -9.638 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.579 -12.455 -6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.716 -10.772 -5.639 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.232 -12.185 -6.968 1.00 0.00 H new ATOM 918 N SER A 61 8.814 -8.923 -0.539 1.00 0.00 N ATOM 919 CA SER A 61 9.296 -7.950 0.412 1.00 0.00 C ATOM 920 C SER A 61 9.440 -6.605 -0.282 1.00 0.00 C ATOM 921 O SER A 61 10.032 -6.520 -1.360 1.00 0.00 O ATOM 922 CB SER A 61 10.631 -8.395 1.002 1.00 0.00 C ATOM 923 OG SER A 61 10.964 -7.622 2.143 1.00 0.00 O ATOM 0 H SER A 61 9.273 -8.886 -1.449 1.00 0.00 H new ATOM 0 HA SER A 61 8.582 -7.859 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.579 -9.449 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.415 -8.298 0.251 1.00 0.00 H new ATOM 0 HG SER A 61 10.235 -7.673 2.796 1.00 0.00 H new ATOM 929 N LEU A 62 8.891 -5.560 0.323 1.00 0.00 N ATOM 930 CA LEU A 62 8.917 -4.241 -0.284 1.00 0.00 C ATOM 931 C LEU A 62 9.945 -3.376 0.421 1.00 0.00 C ATOM 932 O LEU A 62 9.859 -2.154 0.421 1.00 0.00 O ATOM 933 CB LEU A 62 7.535 -3.571 -0.246 1.00 0.00 C ATOM 934 CG LEU A 62 6.383 -4.407 -0.816 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.183 -3.531 -1.110 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.806 -5.154 -2.069 1.00 0.00 C ATOM 0 H LEU A 62 8.425 -5.602 1.229 1.00 0.00 H new ATOM 0 HA LEU A 62 9.194 -4.354 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.301 -3.318 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.589 -2.633 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 62 6.106 -5.143 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.376 -4.143 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.849 -3.051 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.459 -2.768 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.966 -5.736 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.123 -4.440 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.633 -5.823 -1.832 1.00 0.00 H new ATOM 948 N GLU A 63 10.905 -4.039 1.042 1.00 0.00 N ATOM 949 CA GLU A 63 12.038 -3.379 1.664 1.00 0.00 C ATOM 950 C GLU A 63 12.746 -2.448 0.684 1.00 0.00 C ATOM 951 O GLU A 63 13.165 -1.349 1.044 1.00 0.00 O ATOM 952 CB GLU A 63 13.013 -4.432 2.157 1.00 0.00 C ATOM 953 CG GLU A 63 13.963 -3.924 3.214 1.00 0.00 C ATOM 954 CD GLU A 63 15.012 -4.944 3.587 1.00 0.00 C ATOM 955 OE1 GLU A 63 14.758 -5.754 4.501 1.00 0.00 O ATOM 956 OE2 GLU A 63 16.094 -4.942 2.964 1.00 0.00 O ATOM 0 H GLU A 63 10.920 -5.055 1.129 1.00 0.00 H new ATOM 0 HA GLU A 63 11.674 -2.778 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.452 -5.276 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.590 -4.807 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.453 -3.019 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.397 -3.647 4.104 1.00 0.00 H new ATOM 963 N LYS A 64 12.864 -2.894 -0.558 1.00 0.00 N ATOM 964 CA LYS A 64 13.498 -2.100 -1.604 1.00 0.00 C ATOM 965 C LYS A 64 12.624 -0.907 -1.983 1.00 0.00 C ATOM 966 O LYS A 64 13.022 -0.055 -2.780 1.00 0.00 O ATOM 967 CB LYS A 64 13.759 -2.971 -2.835 1.00 0.00 C ATOM 968 CG LYS A 64 12.518 -3.242 -3.670 1.00 0.00 C ATOM 969 CD LYS A 64 12.779 -4.267 -4.766 1.00 0.00 C ATOM 970 CE LYS A 64 14.000 -3.918 -5.606 1.00 0.00 C ATOM 971 NZ LYS A 64 13.911 -2.562 -6.206 1.00 0.00 N ATOM 0 H LYS A 64 12.528 -3.806 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 64 14.447 -1.723 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.507 -2.484 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.183 -3.922 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.717 -3.599 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.173 -2.311 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.920 -5.249 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.904 -4.335 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.893 -3.979 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.113 -4.656 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.697 -2.425 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.007 -2.464 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.967 -1.845 -5.454 1.00 0.00 H new ATOM 985 N PHE A 65 11.426 -0.863 -1.417 1.00 0.00 N ATOM 986 CA PHE A 65 10.508 0.242 -1.650 1.00 0.00 C ATOM 987 C PHE A 65 10.384 1.099 -0.400 1.00 0.00 C ATOM 988 O PHE A 65 9.683 2.107 -0.396 1.00 0.00 O ATOM 989 CB PHE A 65 9.124 -0.265 -2.066 1.00 0.00 C ATOM 990 CG PHE A 65 9.090 -0.886 -3.434 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.157 -0.093 -4.567 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.984 -2.259 -3.586 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.121 -0.656 -5.827 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.947 -2.829 -4.843 1.00 0.00 C ATOM 995 CZ PHE A 65 9.017 -2.027 -5.965 1.00 0.00 C ATOM 0 H PHE A 65 11.066 -1.583 -0.791 1.00 0.00 H new ATOM 0 HA PHE A 65 10.913 0.845 -2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.782 -0.998 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.419 0.566 -2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.238 0.979 -4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.930 -2.890 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.174 -0.026 -6.703 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.863 -3.901 -4.949 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.990 -2.471 -6.949 1.00 0.00 H new ATOM 1005 N LYS A 66 11.066 0.691 0.664 1.00 0.00 N ATOM 1006 CA LYS A 66 11.037 1.449 1.903 1.00 0.00 C ATOM 1007 C LYS A 66 11.890 2.698 1.759 1.00 0.00 C ATOM 1008 O LYS A 66 13.061 2.637 1.385 1.00 0.00 O ATOM 1009 CB LYS A 66 11.503 0.602 3.089 1.00 0.00 C ATOM 1010 CG LYS A 66 10.632 -0.624 3.325 1.00 0.00 C ATOM 1011 CD LYS A 66 11.102 -1.445 4.515 1.00 0.00 C ATOM 1012 CE LYS A 66 10.254 -2.697 4.690 1.00 0.00 C ATOM 1013 NZ LYS A 66 10.662 -3.492 5.877 1.00 0.00 N ATOM 0 H LYS A 66 11.639 -0.152 0.692 1.00 0.00 H new ATOM 0 HA LYS A 66 10.007 1.743 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.531 0.283 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.506 1.217 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.601 -0.309 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.637 -1.248 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.146 -1.726 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.052 -0.840 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.206 -2.413 4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.334 -3.315 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.057 -4.334 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.654 -3.787 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.561 -2.912 6.735 1.00 0.00 H new