USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 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 19 TYR OH : rot 11:sc= 0.739 USER MOD Set 1.2: A 42 MET CE :methyl 144:sc= 0 (180deg=-0.36) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -4.99! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.061 (180deg=-0.579) USER MOD Single : A 27 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.019) USER MOD Single : A 31 SER OG : rot -86:sc= 0.632 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : A 45 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -135:sc= -0.308 (180deg=-3.86!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.217 F(o=-2.2,f=-0.22) USER MOD Single : A 54 TYR OH : rot -67:sc= 1.11 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= -0.0324 (180deg=-0.0891) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 137:sc= -2.18! (180deg=-5.13!) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 0.133 0.388 -0.963 1.00 0.00 N ATOM 86 CA PRO A 8 0.111 1.487 0.058 1.00 0.00 C ATOM 87 C PRO A 8 -0.245 2.872 -0.556 1.00 0.00 C ATOM 88 O PRO A 8 -0.494 2.941 -1.743 1.00 0.00 O ATOM 89 CB PRO A 8 1.527 1.415 0.682 1.00 0.00 C ATOM 90 CG PRO A 8 2.381 0.823 -0.453 1.00 0.00 C ATOM 91 CD PRO A 8 1.474 -0.273 -1.011 1.00 0.00 C ATOM 0 HA PRO A 8 -0.670 1.363 0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.885 2.399 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.544 0.784 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.627 1.570 -1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.324 0.420 -0.084 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.753 -0.558 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.506 -1.178 -0.405 1.00 0.00 H new ATOM 99 N PRO A 9 -0.271 3.917 0.252 1.00 0.00 N ATOM 100 CA PRO A 9 -0.285 5.350 -0.187 1.00 0.00 C ATOM 101 C PRO A 9 0.272 5.732 -1.580 1.00 0.00 C ATOM 102 O PRO A 9 0.906 4.944 -2.255 1.00 0.00 O ATOM 103 CB PRO A 9 0.427 6.036 0.976 1.00 0.00 C ATOM 104 CG PRO A 9 -0.225 5.324 2.187 1.00 0.00 C ATOM 105 CD PRO A 9 -0.288 3.837 1.750 1.00 0.00 C ATOM 0 HA PRO A 9 -1.310 5.669 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.506 5.888 0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.253 7.112 0.988 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.368 5.450 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.218 5.722 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.560 3.269 2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.190 3.348 2.117 1.00 0.00 H new ATOM 113 N SER A 10 0.023 6.964 -1.957 1.00 0.00 N ATOM 114 CA SER A 10 0.489 7.487 -3.286 1.00 0.00 C ATOM 115 C SER A 10 1.689 8.441 -3.188 1.00 0.00 C ATOM 116 O SER A 10 2.737 8.164 -3.737 1.00 0.00 O ATOM 117 CB SER A 10 -0.715 8.198 -3.943 1.00 0.00 C ATOM 118 OG SER A 10 -0.230 8.684 -5.187 1.00 0.00 O ATOM 0 H SER A 10 -0.491 7.641 -1.393 1.00 0.00 H new ATOM 0 HA SER A 10 0.842 6.648 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.548 7.509 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.080 9.013 -3.318 1.00 0.00 H new ATOM 0 HG SER A 10 -0.951 9.149 -5.660 1.00 0.00 H new ATOM 124 N ALA A 11 1.474 9.525 -2.491 1.00 0.00 N ATOM 125 CA ALA A 11 2.473 10.604 -2.249 1.00 0.00 C ATOM 126 C ALA A 11 1.663 11.774 -1.716 1.00 0.00 C ATOM 127 O ALA A 11 2.120 12.493 -0.848 1.00 0.00 O ATOM 128 CB ALA A 11 3.155 11.058 -3.526 1.00 0.00 C ATOM 0 H ALA A 11 0.575 9.715 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 11 3.251 10.248 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.873 11.845 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.675 10.215 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.408 11.441 -4.221 1.00 0.00 H new ATOM 134 N PHE A 12 0.472 11.940 -2.245 1.00 0.00 N ATOM 135 CA PHE A 12 -0.368 13.055 -1.769 1.00 0.00 C ATOM 136 C PHE A 12 -1.215 12.559 -0.622 1.00 0.00 C ATOM 137 O PHE A 12 -2.005 13.303 -0.091 1.00 0.00 O ATOM 138 CB PHE A 12 -1.226 13.572 -2.929 1.00 0.00 C ATOM 139 CG PHE A 12 -2.626 13.038 -3.201 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.689 13.443 -2.426 1.00 0.00 C ATOM 141 CD2 PHE A 12 -2.849 12.176 -4.253 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.960 13.006 -2.688 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.123 11.736 -4.523 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.186 12.145 -3.741 1.00 0.00 C ATOM 0 H PHE A 12 0.062 11.355 -2.973 1.00 0.00 H new ATOM 0 HA PHE A 12 0.244 13.884 -1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.322 14.649 -2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.648 13.416 -3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.518 14.116 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.023 11.846 -4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.783 13.335 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.294 11.066 -5.352 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.185 11.793 -3.953 1.00 0.00 H new ATOM 154 N PHE A 13 -1.032 11.318 -0.245 1.00 0.00 N ATOM 155 CA PHE A 13 -1.844 10.791 0.888 1.00 0.00 C ATOM 156 C PHE A 13 -1.393 11.597 2.122 1.00 0.00 C ATOM 157 O PHE A 13 -2.210 12.114 2.857 1.00 0.00 O ATOM 158 CB PHE A 13 -1.550 9.295 1.112 1.00 0.00 C ATOM 159 CG PHE A 13 -2.711 8.726 1.943 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.895 8.386 1.311 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.609 8.558 3.311 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.958 7.888 2.029 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.676 8.060 4.033 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.851 7.724 3.394 1.00 0.00 C ATOM 0 H PHE A 13 -0.371 10.662 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.912 10.889 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.466 8.772 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.602 9.163 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.985 8.513 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.691 8.817 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.876 7.626 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.590 7.933 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.684 7.334 3.960 1.00 0.00 H new ATOM 174 N LEU A 14 -0.094 11.685 2.291 1.00 0.00 N ATOM 175 CA LEU A 14 0.506 12.433 3.438 1.00 0.00 C ATOM 176 C LEU A 14 -0.113 13.845 3.439 1.00 0.00 C ATOM 177 O LEU A 14 -0.732 14.296 4.382 1.00 0.00 O ATOM 178 CB LEU A 14 2.069 12.506 3.252 1.00 0.00 C ATOM 179 CG LEU A 14 2.844 11.126 3.100 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.369 10.018 4.062 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.913 10.578 1.648 1.00 0.00 C ATOM 0 H LEU A 14 0.589 11.258 1.665 1.00 0.00 H new ATOM 0 HA LEU A 14 0.303 11.937 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.277 13.110 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.487 13.037 4.107 1.00 0.00 H new ATOM 0 HG LEU A 14 3.858 11.400 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.951 9.113 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.506 10.347 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.314 9.810 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.459 9.635 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.903 10.415 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.425 11.299 1.011 1.00 0.00 H new ATOM 193 N PHE A 15 0.095 14.495 2.329 1.00 0.00 N ATOM 194 CA PHE A 15 -0.411 15.879 2.082 1.00 0.00 C ATOM 195 C PHE A 15 -1.910 15.988 2.464 1.00 0.00 C ATOM 196 O PHE A 15 -2.304 16.791 3.290 1.00 0.00 O ATOM 197 CB PHE A 15 -0.073 16.113 0.590 1.00 0.00 C ATOM 198 CG PHE A 15 -0.897 17.126 -0.213 1.00 0.00 C ATOM 199 CD1 PHE A 15 -2.024 16.693 -0.886 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.513 18.453 -0.309 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.757 17.568 -1.652 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.251 19.329 -1.078 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.372 18.884 -1.749 1.00 0.00 C ATOM 0 H PHE A 15 0.620 14.106 1.546 1.00 0.00 H new ATOM 0 HA PHE A 15 0.042 16.659 2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.971 16.422 0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.149 15.152 0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.331 15.660 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.363 18.802 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.635 17.222 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.951 20.364 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.948 19.571 -2.351 1.00 0.00 H new ATOM 213 N CYS A 16 -2.709 15.160 1.845 1.00 0.00 N ATOM 214 CA CYS A 16 -4.182 15.127 2.098 1.00 0.00 C ATOM 215 C CYS A 16 -4.474 15.167 3.589 1.00 0.00 C ATOM 216 O CYS A 16 -5.211 16.009 4.064 1.00 0.00 O ATOM 217 CB CYS A 16 -4.806 13.843 1.527 1.00 0.00 C ATOM 218 SG CYS A 16 -6.558 13.616 1.929 1.00 0.00 S ATOM 0 H CYS A 16 -2.391 14.483 1.152 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.612 16.001 1.609 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.693 13.850 0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.247 12.985 1.900 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.985 12.508 1.400 1.00 0.00 H new ATOM 223 N SER A 17 -3.859 14.227 4.259 1.00 0.00 N ATOM 224 CA SER A 17 -4.015 14.083 5.726 1.00 0.00 C ATOM 225 C SER A 17 -3.811 15.423 6.421 1.00 0.00 C ATOM 226 O SER A 17 -4.683 15.889 7.128 1.00 0.00 O ATOM 227 CB SER A 17 -2.989 13.073 6.215 1.00 0.00 C ATOM 228 OG SER A 17 -3.509 12.599 7.449 1.00 0.00 O ATOM 0 H SER A 17 -3.240 13.538 3.833 1.00 0.00 H new ATOM 0 HA SER A 17 -5.022 13.738 5.959 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.862 12.260 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.011 13.535 6.349 1.00 0.00 H new ATOM 0 HG SER A 17 -2.896 11.935 7.829 1.00 0.00 H new ATOM 234 N GLU A 18 -2.646 15.971 6.170 1.00 0.00 N ATOM 235 CA GLU A 18 -2.222 17.279 6.738 1.00 0.00 C ATOM 236 C GLU A 18 -3.392 18.251 6.836 1.00 0.00 C ATOM 237 O GLU A 18 -3.553 18.894 7.856 1.00 0.00 O ATOM 238 CB GLU A 18 -1.109 17.858 5.851 1.00 0.00 C ATOM 239 CG GLU A 18 -0.558 19.153 6.488 1.00 0.00 C ATOM 240 CD GLU A 18 0.713 19.584 5.741 1.00 0.00 C ATOM 241 OE1 GLU A 18 1.696 18.891 5.934 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.629 20.570 5.024 1.00 0.00 O ATOM 0 H GLU A 18 -1.945 15.540 5.567 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.850 17.126 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.307 17.129 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.497 18.068 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.307 19.943 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.336 18.988 7.542 1.00 0.00 H new ATOM 249 N TYR A 19 -4.168 18.326 5.777 1.00 0.00 N ATOM 250 CA TYR A 19 -5.328 19.268 5.839 1.00 0.00 C ATOM 251 C TYR A 19 -6.657 18.704 5.338 1.00 0.00 C ATOM 252 O TYR A 19 -7.443 19.382 4.703 1.00 0.00 O ATOM 253 CB TYR A 19 -4.932 20.553 5.064 1.00 0.00 C ATOM 254 CG TYR A 19 -4.800 20.413 3.542 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.961 19.503 2.926 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.552 21.265 2.761 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.883 19.463 1.545 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.476 21.226 1.393 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.643 20.328 0.775 1.00 0.00 C ATOM 260 OH TYR A 19 -4.575 20.319 -0.601 1.00 0.00 O ATOM 0 H TYR A 19 -4.056 17.800 4.910 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.523 19.475 6.891 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.675 21.322 5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.981 20.912 5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.368 18.825 3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.213 21.976 3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.226 18.753 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.073 21.903 0.800 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.073 19.532 -0.899 1.00 0.00 H new ATOM 270 N ARG A 20 -6.874 17.451 5.656 1.00 0.00 N ATOM 271 CA ARG A 20 -8.138 16.781 5.239 1.00 0.00 C ATOM 272 C ARG A 20 -9.297 17.457 6.016 1.00 0.00 C ATOM 273 O ARG A 20 -10.258 17.856 5.389 1.00 0.00 O ATOM 274 CB ARG A 20 -8.048 15.242 5.563 1.00 0.00 C ATOM 275 CG ARG A 20 -9.449 14.598 5.390 1.00 0.00 C ATOM 276 CD ARG A 20 -9.426 13.076 5.647 1.00 0.00 C ATOM 277 NE ARG A 20 -8.940 12.803 7.036 1.00 0.00 N ATOM 278 CZ ARG A 20 -8.018 11.900 7.254 1.00 0.00 C ATOM 279 NH1 ARG A 20 -8.156 10.714 6.725 1.00 0.00 N ATOM 280 NH2 ARG A 20 -6.990 12.208 7.997 1.00 0.00 N ATOM 0 H ARG A 20 -6.228 16.866 6.186 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.310 16.880 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.330 14.761 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.690 15.094 6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.152 15.070 6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.813 14.789 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.425 12.660 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.777 12.585 4.922 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.331 13.325 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.973 10.503 6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.447 9.999 6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.913 13.142 8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.264 11.514 8.176 1.00 0.00 H new ATOM 294 N PRO A 21 -9.210 17.603 7.326 1.00 0.00 N ATOM 295 CA PRO A 21 -10.345 18.110 8.154 1.00 0.00 C ATOM 296 C PRO A 21 -10.742 19.527 7.710 1.00 0.00 C ATOM 297 O PRO A 21 -11.892 19.913 7.792 1.00 0.00 O ATOM 298 CB PRO A 21 -9.824 18.045 9.599 1.00 0.00 C ATOM 299 CG PRO A 21 -8.722 16.960 9.516 1.00 0.00 C ATOM 300 CD PRO A 21 -8.036 17.309 8.196 1.00 0.00 C ATOM 0 HA PRO A 21 -11.258 17.523 8.049 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.424 19.004 9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.611 17.770 10.301 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.034 17.011 10.360 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.140 15.953 9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.371 18.167 8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.437 16.483 7.813 1.00 0.00 H new ATOM 308 N LYS A 22 -9.752 20.247 7.250 1.00 0.00 N ATOM 309 CA LYS A 22 -9.954 21.648 6.774 1.00 0.00 C ATOM 310 C LYS A 22 -10.697 21.761 5.440 1.00 0.00 C ATOM 311 O LYS A 22 -11.427 22.718 5.268 1.00 0.00 O ATOM 312 CB LYS A 22 -8.562 22.326 6.673 1.00 0.00 C ATOM 313 CG LYS A 22 -8.246 23.009 8.031 1.00 0.00 C ATOM 314 CD LYS A 22 -6.793 23.531 8.069 1.00 0.00 C ATOM 315 CE LYS A 22 -5.821 22.369 8.365 1.00 0.00 C ATOM 316 NZ LYS A 22 -4.422 22.878 8.374 1.00 0.00 N ATOM 0 H LYS A 22 -8.790 19.915 7.183 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.596 22.149 7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.797 21.587 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.557 23.062 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.937 23.836 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.401 22.299 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.539 23.994 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.695 24.302 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.061 21.917 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.930 21.589 7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.769 22.094 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.196 23.289 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.323 23.607 9.109 1.00 0.00 H new ATOM 330 N ILE A 23 -10.544 20.825 4.528 1.00 0.00 N ATOM 331 CA ILE A 23 -11.284 20.976 3.235 1.00 0.00 C ATOM 332 C ILE A 23 -12.649 20.347 3.452 1.00 0.00 C ATOM 333 O ILE A 23 -13.641 20.771 2.904 1.00 0.00 O ATOM 334 CB ILE A 23 -10.522 20.258 2.072 1.00 0.00 C ATOM 335 CG1 ILE A 23 -10.062 18.819 2.442 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.308 21.134 1.683 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.664 18.061 1.160 1.00 0.00 C ATOM 0 H ILE A 23 -9.961 19.993 4.618 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.373 22.025 2.952 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.206 20.143 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.217 18.861 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.865 18.290 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.759 20.655 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.656 22.114 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.653 21.251 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.342 17.052 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.521 18.007 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.848 18.587 0.665 1.00 0.00 H new ATOM 349 N LYS A 24 -12.626 19.341 4.275 1.00 0.00 N ATOM 350 CA LYS A 24 -13.820 18.562 4.661 1.00 0.00 C ATOM 351 C LYS A 24 -14.753 19.443 5.508 1.00 0.00 C ATOM 352 O LYS A 24 -15.955 19.268 5.512 1.00 0.00 O ATOM 353 CB LYS A 24 -13.280 17.390 5.423 1.00 0.00 C ATOM 354 CG LYS A 24 -14.413 16.426 5.839 1.00 0.00 C ATOM 355 CD LYS A 24 -13.810 15.155 6.478 1.00 0.00 C ATOM 356 CE LYS A 24 -13.021 14.355 5.418 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.946 13.908 4.336 1.00 0.00 N ATOM 0 H LYS A 24 -11.769 19.012 4.720 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.417 18.224 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.553 16.858 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.753 17.741 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.080 16.918 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.012 16.158 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.152 15.429 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.604 14.536 6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.227 14.973 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.543 13.492 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.533 13.091 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.860 13.636 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.090 14.685 3.660 1.00 0.00 H new ATOM 371 N GLY A 25 -14.130 20.369 6.190 1.00 0.00 N ATOM 372 CA GLY A 25 -14.858 21.322 7.077 1.00 0.00 C ATOM 373 C GLY A 25 -15.572 22.374 6.234 1.00 0.00 C ATOM 374 O GLY A 25 -16.716 22.704 6.481 1.00 0.00 O ATOM 0 H GLY A 25 -13.120 20.507 6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.580 20.783 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.158 21.804 7.760 1.00 0.00 H new ATOM 378 N GLU A 26 -14.854 22.865 5.258 1.00 0.00 N ATOM 379 CA GLU A 26 -15.399 23.899 4.334 1.00 0.00 C ATOM 380 C GLU A 26 -16.449 23.283 3.397 1.00 0.00 C ATOM 381 O GLU A 26 -17.496 23.858 3.172 1.00 0.00 O ATOM 382 CB GLU A 26 -14.242 24.473 3.501 1.00 0.00 C ATOM 383 CG GLU A 26 -13.176 25.129 4.406 1.00 0.00 C ATOM 384 CD GLU A 26 -13.646 26.509 4.906 1.00 0.00 C ATOM 385 OE1 GLU A 26 -14.536 26.530 5.741 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.085 27.475 4.419 1.00 0.00 O ATOM 0 H GLU A 26 -13.893 22.586 5.060 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.875 24.688 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.784 23.678 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.628 25.209 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.969 24.481 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.242 25.237 3.854 1.00 0.00 H new ATOM 393 N HIS A 27 -16.110 22.127 2.889 1.00 0.00 N ATOM 394 CA HIS A 27 -16.983 21.368 1.952 1.00 0.00 C ATOM 395 C HIS A 27 -17.297 19.965 2.512 1.00 0.00 C ATOM 396 O HIS A 27 -16.748 18.978 2.062 1.00 0.00 O ATOM 397 CB HIS A 27 -16.239 21.280 0.599 1.00 0.00 C ATOM 398 CG HIS A 27 -15.716 22.679 0.242 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.451 23.699 -0.059 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.417 23.160 0.172 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.697 24.724 -0.295 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.426 24.434 -0.165 1.00 0.00 N ATOM 0 H HIS A 27 -15.226 21.662 3.096 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.940 21.873 1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.413 20.572 0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.909 20.916 -0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.529 22.576 0.365 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.070 25.700 -0.566 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.626 25.053 -0.295 1.00 0.00 H new ATOM 410 N PRO A 28 -18.179 19.907 3.486 1.00 0.00 N ATOM 411 CA PRO A 28 -18.766 18.630 3.982 1.00 0.00 C ATOM 412 C PRO A 28 -19.887 18.178 3.020 1.00 0.00 C ATOM 413 O PRO A 28 -20.964 17.786 3.427 1.00 0.00 O ATOM 414 CB PRO A 28 -19.243 18.996 5.382 1.00 0.00 C ATOM 415 CG PRO A 28 -19.760 20.446 5.173 1.00 0.00 C ATOM 416 CD PRO A 28 -18.700 21.082 4.234 1.00 0.00 C ATOM 0 HA PRO A 28 -18.085 17.780 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.030 18.328 5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.436 18.951 6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.752 20.456 4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.833 20.985 6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.142 21.823 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.913 21.587 4.795 1.00 0.00 H new ATOM 424 N GLY A 29 -19.556 18.264 1.758 1.00 0.00 N ATOM 425 CA GLY A 29 -20.461 17.889 0.643 1.00 0.00 C ATOM 426 C GLY A 29 -19.734 16.918 -0.295 1.00 0.00 C ATOM 427 O GLY A 29 -20.356 16.300 -1.137 1.00 0.00 O ATOM 0 H GLY A 29 -18.644 18.598 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.366 17.425 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.770 18.779 0.095 1.00 0.00 H new ATOM 431 N LEU A 30 -18.435 16.806 -0.122 1.00 0.00 N ATOM 432 CA LEU A 30 -17.624 15.895 -0.973 1.00 0.00 C ATOM 433 C LEU A 30 -17.730 14.452 -0.451 1.00 0.00 C ATOM 434 O LEU A 30 -18.232 14.191 0.626 1.00 0.00 O ATOM 435 CB LEU A 30 -16.142 16.329 -0.926 1.00 0.00 C ATOM 436 CG LEU A 30 -15.924 17.835 -1.208 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.410 18.143 -1.175 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.513 18.288 -2.559 1.00 0.00 C ATOM 0 H LEU A 30 -17.903 17.316 0.583 1.00 0.00 H new ATOM 0 HA LEU A 30 -17.999 15.943 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.734 16.090 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.579 15.747 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.451 18.389 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.250 19.203 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.009 17.893 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.902 17.551 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.328 19.353 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.041 17.729 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.587 18.103 -2.568 1.00 0.00 H new ATOM 450 N SER A 31 -17.235 13.572 -1.273 1.00 0.00 N ATOM 451 CA SER A 31 -17.203 12.109 -1.011 1.00 0.00 C ATOM 452 C SER A 31 -15.728 11.714 -0.987 1.00 0.00 C ATOM 453 O SER A 31 -14.865 12.549 -1.155 1.00 0.00 O ATOM 454 CB SER A 31 -17.917 11.359 -2.147 1.00 0.00 C ATOM 455 OG SER A 31 -17.141 11.624 -3.309 1.00 0.00 O ATOM 0 H SER A 31 -16.826 13.828 -2.172 1.00 0.00 H new ATOM 0 HA SER A 31 -17.703 11.862 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.968 10.290 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.942 11.710 -2.268 1.00 0.00 H new ATOM 0 HG SER A 31 -17.440 12.463 -3.718 1.00 0.00 H new ATOM 461 N ILE A 32 -15.480 10.447 -0.793 1.00 0.00 N ATOM 462 CA ILE A 32 -14.071 9.949 -0.758 1.00 0.00 C ATOM 463 C ILE A 32 -13.508 9.868 -2.190 1.00 0.00 C ATOM 464 O ILE A 32 -12.409 9.416 -2.436 1.00 0.00 O ATOM 465 CB ILE A 32 -14.113 8.580 -0.074 1.00 0.00 C ATOM 466 CG1 ILE A 32 -12.696 8.005 0.156 1.00 0.00 C ATOM 467 CG2 ILE A 32 -14.941 7.562 -0.912 1.00 0.00 C ATOM 468 CD1 ILE A 32 -11.820 8.982 0.970 1.00 0.00 C ATOM 0 H ILE A 32 -16.194 9.731 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.411 10.618 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.590 8.732 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.768 7.053 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.223 7.803 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.955 6.598 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -15.962 7.928 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.487 7.447 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.830 8.549 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.728 9.925 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.282 9.163 1.940 1.00 0.00 H new ATOM 480 N GLY A 33 -14.335 10.332 -3.080 1.00 0.00 N ATOM 481 CA GLY A 33 -14.024 10.372 -4.533 1.00 0.00 C ATOM 482 C GLY A 33 -13.833 11.821 -4.982 1.00 0.00 C ATOM 483 O GLY A 33 -13.285 12.066 -6.037 1.00 0.00 O ATOM 0 H GLY A 33 -15.257 10.702 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.121 9.796 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.832 9.909 -5.100 1.00 0.00 H new ATOM 487 N ASP A 34 -14.277 12.741 -4.160 1.00 0.00 N ATOM 488 CA ASP A 34 -14.160 14.196 -4.481 1.00 0.00 C ATOM 489 C ASP A 34 -13.008 14.732 -3.665 1.00 0.00 C ATOM 490 O ASP A 34 -12.162 15.419 -4.185 1.00 0.00 O ATOM 491 CB ASP A 34 -15.467 14.899 -4.113 1.00 0.00 C ATOM 492 CG ASP A 34 -16.532 14.656 -5.194 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.873 13.500 -5.384 1.00 0.00 O ATOM 494 OD2 ASP A 34 -16.946 15.648 -5.773 1.00 0.00 O ATOM 0 H ASP A 34 -14.723 12.540 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.979 14.365 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.826 14.532 -3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.292 15.969 -4.001 1.00 0.00 H new ATOM 499 N VAL A 35 -12.991 14.407 -2.405 1.00 0.00 N ATOM 500 CA VAL A 35 -11.899 14.862 -1.494 1.00 0.00 C ATOM 501 C VAL A 35 -10.586 14.322 -2.085 1.00 0.00 C ATOM 502 O VAL A 35 -9.529 14.909 -1.964 1.00 0.00 O ATOM 503 CB VAL A 35 -12.188 14.268 -0.098 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.027 14.546 0.873 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.465 14.897 0.494 1.00 0.00 C ATOM 0 H VAL A 35 -13.703 13.832 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.832 15.946 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.313 13.192 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.257 14.117 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.113 14.096 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.887 15.622 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.658 14.470 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.331 15.975 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.310 14.691 -0.163 1.00 0.00 H new ATOM 515 N ALA A 36 -10.746 13.200 -2.741 1.00 0.00 N ATOM 516 CA ALA A 36 -9.637 12.480 -3.390 1.00 0.00 C ATOM 517 C ALA A 36 -9.314 13.117 -4.726 1.00 0.00 C ATOM 518 O ALA A 36 -8.153 13.255 -5.044 1.00 0.00 O ATOM 519 CB ALA A 36 -10.078 11.041 -3.554 1.00 0.00 C ATOM 0 H ALA A 36 -11.651 12.742 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.729 12.525 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.283 10.469 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.294 10.613 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.975 11.004 -4.172 1.00 0.00 H new ATOM 525 N LYS A 37 -10.317 13.486 -5.483 1.00 0.00 N ATOM 526 CA LYS A 37 -10.012 14.118 -6.798 1.00 0.00 C ATOM 527 C LYS A 37 -9.447 15.543 -6.621 1.00 0.00 C ATOM 528 O LYS A 37 -8.562 15.941 -7.350 1.00 0.00 O ATOM 529 CB LYS A 37 -11.298 14.181 -7.653 1.00 0.00 C ATOM 530 CG LYS A 37 -10.963 13.555 -9.012 1.00 0.00 C ATOM 531 CD LYS A 37 -12.137 13.702 -9.994 1.00 0.00 C ATOM 532 CE LYS A 37 -11.689 13.158 -11.365 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.786 13.296 -12.363 1.00 0.00 N ATOM 0 H LYS A 37 -11.306 13.381 -5.255 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.257 13.510 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.110 13.639 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.630 15.212 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.076 14.033 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.725 12.500 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.006 13.152 -9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.433 14.748 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.807 13.699 -11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.403 12.110 -11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.469 12.925 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.617 12.760 -12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.039 14.300 -12.464 1.00 0.00 H new ATOM 547 N LYS A 38 -9.965 16.269 -5.662 1.00 0.00 N ATOM 548 CA LYS A 38 -9.517 17.660 -5.387 1.00 0.00 C ATOM 549 C LYS A 38 -8.060 17.612 -5.006 1.00 0.00 C ATOM 550 O LYS A 38 -7.242 18.262 -5.618 1.00 0.00 O ATOM 551 CB LYS A 38 -10.344 18.265 -4.227 1.00 0.00 C ATOM 552 CG LYS A 38 -11.504 19.111 -4.782 1.00 0.00 C ATOM 553 CD LYS A 38 -12.568 18.247 -5.494 1.00 0.00 C ATOM 554 CE LYS A 38 -13.658 19.178 -6.052 1.00 0.00 C ATOM 555 NZ LYS A 38 -14.723 18.383 -6.728 1.00 0.00 N ATOM 0 H LYS A 38 -10.704 15.939 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.659 18.283 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.736 17.467 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.703 18.883 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.972 19.662 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.111 19.849 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.112 17.672 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.002 17.530 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.092 19.766 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.218 19.882 -6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.452 19.025 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.307 17.841 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.154 17.728 -6.045 1.00 0.00 H new ATOM 569 N LEU A 39 -7.767 16.835 -4.001 1.00 0.00 N ATOM 570 CA LEU A 39 -6.346 16.729 -3.564 1.00 0.00 C ATOM 571 C LEU A 39 -5.554 16.098 -4.673 1.00 0.00 C ATOM 572 O LEU A 39 -4.489 16.565 -5.002 1.00 0.00 O ATOM 573 CB LEU A 39 -6.280 15.875 -2.338 1.00 0.00 C ATOM 574 CG LEU A 39 -6.922 16.650 -1.220 1.00 0.00 C ATOM 575 CD1 LEU A 39 -7.174 15.699 -0.059 1.00 0.00 C ATOM 576 CD2 LEU A 39 -5.962 17.745 -0.698 1.00 0.00 C ATOM 0 H LEU A 39 -8.436 16.277 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.937 17.714 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.799 14.930 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.246 15.632 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.842 17.101 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.640 16.243 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.836 14.896 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.227 15.276 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.443 18.296 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.048 17.281 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.717 18.431 -1.509 1.00 0.00 H new ATOM 588 N GLY A 40 -6.115 15.052 -5.210 1.00 0.00 N ATOM 589 CA GLY A 40 -5.447 14.320 -6.331 1.00 0.00 C ATOM 590 C GLY A 40 -5.013 15.283 -7.440 1.00 0.00 C ATOM 591 O GLY A 40 -4.138 14.959 -8.216 1.00 0.00 O ATOM 0 H GLY A 40 -7.014 14.667 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.578 13.783 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.129 13.574 -6.739 1.00 0.00 H new ATOM 595 N GLU A 41 -5.638 16.437 -7.474 1.00 0.00 N ATOM 596 CA GLU A 41 -5.311 17.461 -8.498 1.00 0.00 C ATOM 597 C GLU A 41 -4.363 18.500 -7.906 1.00 0.00 C ATOM 598 O GLU A 41 -3.309 18.737 -8.465 1.00 0.00 O ATOM 599 CB GLU A 41 -6.596 18.145 -8.951 1.00 0.00 C ATOM 600 CG GLU A 41 -7.432 17.224 -9.867 1.00 0.00 C ATOM 601 CD GLU A 41 -6.691 16.987 -11.197 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.550 17.957 -11.926 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.307 15.848 -11.409 1.00 0.00 O ATOM 0 H GLU A 41 -6.372 16.710 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.829 16.981 -9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.187 18.427 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.352 19.065 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.615 16.272 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.405 17.676 -10.059 1.00 0.00 H new ATOM 610 N MET A 42 -4.757 19.086 -6.797 1.00 0.00 N ATOM 611 CA MET A 42 -3.903 20.122 -6.136 1.00 0.00 C ATOM 612 C MET A 42 -2.490 19.610 -5.932 1.00 0.00 C ATOM 613 O MET A 42 -1.527 20.321 -6.131 1.00 0.00 O ATOM 614 CB MET A 42 -4.493 20.491 -4.794 1.00 0.00 C ATOM 615 CG MET A 42 -5.831 21.222 -5.040 1.00 0.00 C ATOM 616 SD MET A 42 -6.534 22.151 -3.655 1.00 0.00 S ATOM 617 CE MET A 42 -7.520 20.817 -2.935 1.00 0.00 C ATOM 0 H MET A 42 -5.637 18.889 -6.321 1.00 0.00 H new ATOM 0 HA MET A 42 -3.870 20.998 -6.783 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.653 19.598 -4.191 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.806 21.131 -4.240 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.691 21.911 -5.873 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.566 20.483 -5.358 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.512 20.905 -1.849 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.546 20.886 -3.298 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.097 19.855 -3.224 1.00 0.00 H new ATOM 627 N TRP A 43 -2.435 18.373 -5.522 1.00 0.00 N ATOM 628 CA TRP A 43 -1.168 17.655 -5.267 1.00 0.00 C ATOM 629 C TRP A 43 -0.279 17.730 -6.510 1.00 0.00 C ATOM 630 O TRP A 43 0.907 17.995 -6.421 1.00 0.00 O ATOM 631 CB TRP A 43 -1.543 16.234 -4.933 1.00 0.00 C ATOM 632 CG TRP A 43 -0.286 15.399 -4.984 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.031 14.506 -5.955 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.726 15.426 -4.104 1.00 0.00 C ATOM 635 NE1 TRP A 43 1.145 14.037 -5.601 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.695 14.519 -4.495 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.886 16.179 -2.949 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.838 14.369 -3.718 1.00 0.00 C ATOM 639 CZ3 TRP A 43 2.024 16.026 -2.173 1.00 0.00 C ATOM 640 CH2 TRP A 43 3.003 15.117 -2.559 1.00 0.00 C ATOM 0 H TRP A 43 -3.266 17.808 -5.347 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.603 18.095 -4.445 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.996 16.181 -3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.281 15.857 -5.642 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.637 14.241 -6.809 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.618 13.326 -6.159 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.123 16.885 -2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.602 13.667 -4.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.150 16.610 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.892 14.993 -1.958 1.00 0.00 H new ATOM 651 N ASN A 44 -0.917 17.491 -7.629 1.00 0.00 N ATOM 652 CA ASN A 44 -0.161 17.524 -8.922 1.00 0.00 C ATOM 653 C ASN A 44 0.360 18.935 -9.261 1.00 0.00 C ATOM 654 O ASN A 44 1.055 19.115 -10.245 1.00 0.00 O ATOM 655 CB ASN A 44 -1.058 17.023 -10.093 1.00 0.00 C ATOM 656 CG ASN A 44 -1.431 15.548 -9.890 1.00 0.00 C ATOM 657 OD1 ASN A 44 -0.663 14.761 -9.374 1.00 0.00 O ATOM 658 ND2 ASN A 44 -2.599 15.122 -10.290 1.00 0.00 N ATOM 0 H ASN A 44 -1.912 17.278 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 44 0.697 16.864 -8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.963 17.628 -10.151 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.532 17.144 -11.040 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.854 14.142 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.256 15.769 -10.725 1.00 0.00 H new ATOM 665 N ASN A 45 -0.004 19.879 -8.428 1.00 0.00 N ATOM 666 CA ASN A 45 0.409 21.306 -8.593 1.00 0.00 C ATOM 667 C ASN A 45 0.559 21.972 -7.205 1.00 0.00 C ATOM 668 O ASN A 45 0.191 23.120 -7.036 1.00 0.00 O ATOM 669 CB ASN A 45 -0.669 22.025 -9.453 1.00 0.00 C ATOM 670 CG ASN A 45 -2.054 21.972 -8.776 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.290 22.583 -7.751 1.00 0.00 O ATOM 672 ND2 ASN A 45 -3.001 21.255 -9.311 1.00 0.00 N ATOM 0 H ASN A 45 -0.592 19.711 -7.611 1.00 0.00 H new ATOM 0 HA ASN A 45 1.374 21.374 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.378 23.064 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.724 21.557 -10.436 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.920 21.214 -8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.823 20.735 -10.170 1.00 0.00 H new ATOM 679 N THR A 46 1.105 21.260 -6.243 1.00 0.00 N ATOM 680 CA THR A 46 1.258 21.871 -4.878 1.00 0.00 C ATOM 681 C THR A 46 2.464 22.806 -4.906 1.00 0.00 C ATOM 682 O THR A 46 2.358 23.965 -4.552 1.00 0.00 O ATOM 683 CB THR A 46 1.425 20.713 -3.802 1.00 0.00 C ATOM 684 OG1 THR A 46 1.567 21.405 -2.568 1.00 0.00 O ATOM 685 CG2 THR A 46 2.702 19.833 -3.902 1.00 0.00 C ATOM 0 H THR A 46 1.445 20.303 -6.339 1.00 0.00 H new ATOM 0 HA THR A 46 0.377 22.451 -4.601 1.00 0.00 H new ATOM 0 HB THR A 46 0.578 20.040 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.675 20.757 -1.840 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.690 19.084 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.726 19.336 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.586 20.461 -3.794 1.00 0.00 H new ATOM 693 N ALA A 47 3.573 22.267 -5.330 1.00 0.00 N ATOM 694 CA ALA A 47 4.834 23.046 -5.424 1.00 0.00 C ATOM 695 C ALA A 47 5.784 22.311 -6.360 1.00 0.00 C ATOM 696 O ALA A 47 6.265 22.870 -7.328 1.00 0.00 O ATOM 697 CB ALA A 47 5.487 23.180 -4.036 1.00 0.00 C ATOM 0 H ALA A 47 3.657 21.293 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 47 4.618 24.045 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.410 23.753 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.803 23.693 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.711 22.189 -3.642 1.00 0.00 H new ATOM 703 N ALA A 48 5.990 21.067 -5.990 1.00 0.00 N ATOM 704 CA ALA A 48 6.876 20.065 -6.677 1.00 0.00 C ATOM 705 C ALA A 48 8.126 19.980 -5.790 1.00 0.00 C ATOM 706 O ALA A 48 8.863 19.012 -5.806 1.00 0.00 O ATOM 707 CB ALA A 48 7.316 20.498 -8.095 1.00 0.00 C ATOM 0 H ALA A 48 5.536 20.676 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 48 6.338 19.125 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.953 19.727 -8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.436 20.638 -8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.870 21.434 -8.034 1.00 0.00 H new ATOM 713 N ASP A 49 8.291 21.038 -5.035 1.00 0.00 N ATOM 714 CA ASP A 49 9.415 21.211 -4.091 1.00 0.00 C ATOM 715 C ASP A 49 8.858 21.013 -2.665 1.00 0.00 C ATOM 716 O ASP A 49 9.565 21.222 -1.698 1.00 0.00 O ATOM 717 CB ASP A 49 9.980 22.636 -4.269 1.00 0.00 C ATOM 718 CG ASP A 49 10.295 22.931 -5.754 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.343 23.051 -6.512 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.474 23.023 -6.052 1.00 0.00 O ATOM 0 H ASP A 49 7.647 21.829 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 49 10.215 20.493 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.261 23.365 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.886 22.748 -3.673 1.00 0.00 H new ATOM 725 N ASP A 50 7.608 20.614 -2.592 1.00 0.00 N ATOM 726 CA ASP A 50 6.927 20.378 -1.277 1.00 0.00 C ATOM 727 C ASP A 50 6.398 18.934 -1.306 1.00 0.00 C ATOM 728 O ASP A 50 5.871 18.427 -0.334 1.00 0.00 O ATOM 729 CB ASP A 50 5.773 21.397 -1.134 1.00 0.00 C ATOM 730 CG ASP A 50 5.266 21.473 0.323 1.00 0.00 C ATOM 731 OD1 ASP A 50 4.588 20.547 0.737 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.593 22.470 0.946 1.00 0.00 O ATOM 0 H ASP A 50 7.020 20.439 -3.407 1.00 0.00 H new ATOM 0 HA ASP A 50 7.599 20.507 -0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.113 22.382 -1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.952 21.114 -1.792 1.00 0.00 H new ATOM 737 N LYS A 51 6.575 18.306 -2.440 1.00 0.00 N ATOM 738 CA LYS A 51 6.118 16.907 -2.631 1.00 0.00 C ATOM 739 C LYS A 51 7.261 16.051 -2.148 1.00 0.00 C ATOM 740 O LYS A 51 7.050 15.216 -1.303 1.00 0.00 O ATOM 741 CB LYS A 51 5.856 16.624 -4.115 1.00 0.00 C ATOM 742 CG LYS A 51 4.836 17.641 -4.623 1.00 0.00 C ATOM 743 CD LYS A 51 4.563 17.482 -6.131 1.00 0.00 C ATOM 744 CE LYS A 51 3.708 16.272 -6.437 1.00 0.00 C ATOM 745 NZ LYS A 51 4.493 15.008 -6.334 1.00 0.00 N ATOM 0 H LYS A 51 7.028 18.718 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 51 5.190 16.710 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.782 16.698 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.480 15.610 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.903 17.525 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.200 18.649 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.067 18.378 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.511 17.398 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.866 16.236 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.293 16.363 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.280 14.400 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.509 15.230 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.238 14.512 -5.456 1.00 0.00 H new ATOM 759 N GLN A 52 8.419 16.287 -2.711 1.00 0.00 N ATOM 760 CA GLN A 52 9.669 15.542 -2.359 1.00 0.00 C ATOM 761 C GLN A 52 9.648 14.857 -0.968 1.00 0.00 C ATOM 762 O GLN A 52 9.823 13.660 -0.924 1.00 0.00 O ATOM 763 CB GLN A 52 10.856 16.558 -2.475 1.00 0.00 C ATOM 764 CG GLN A 52 12.053 15.918 -3.226 1.00 0.00 C ATOM 765 CD GLN A 52 11.714 15.598 -4.700 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.531 15.865 -5.183 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.541 15.091 -5.432 1.00 0.00 N flip ATOM 0 H GLN A 52 8.554 16.996 -3.431 1.00 0.00 H new ATOM 0 HA GLN A 52 9.776 14.709 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.525 17.453 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.171 16.873 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.906 16.595 -3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.351 15.002 -2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.472 14.874 -5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.304 14.883 -6.402 1.00 0.00 H new ATOM 776 N PRO A 53 9.434 15.571 0.120 1.00 0.00 N ATOM 777 CA PRO A 53 9.259 14.965 1.478 1.00 0.00 C ATOM 778 C PRO A 53 8.208 13.844 1.570 1.00 0.00 C ATOM 779 O PRO A 53 8.479 12.752 2.034 1.00 0.00 O ATOM 780 CB PRO A 53 8.919 16.155 2.380 1.00 0.00 C ATOM 781 CG PRO A 53 8.344 17.195 1.388 1.00 0.00 C ATOM 782 CD PRO A 53 9.305 17.056 0.202 1.00 0.00 C ATOM 0 HA PRO A 53 10.168 14.442 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.193 15.885 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.801 16.535 2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.315 16.970 1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.349 18.203 1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.898 17.487 -0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.262 17.545 0.386 1.00 0.00 H new ATOM 790 N TYR A 54 7.030 14.165 1.102 1.00 0.00 N ATOM 791 CA TYR A 54 5.882 13.203 1.122 1.00 0.00 C ATOM 792 C TYR A 54 6.129 12.076 0.137 1.00 0.00 C ATOM 793 O TYR A 54 5.992 10.908 0.448 1.00 0.00 O ATOM 794 CB TYR A 54 4.599 13.942 0.725 1.00 0.00 C ATOM 795 CG TYR A 54 4.336 15.123 1.673 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.436 14.990 3.047 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.997 16.352 1.145 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.200 16.070 3.870 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.762 17.428 1.969 1.00 0.00 C ATOM 800 CZ TYR A 54 3.864 17.294 3.335 1.00 0.00 C ATOM 801 OH TYR A 54 3.633 18.384 4.146 1.00 0.00 O ATOM 0 H TYR A 54 6.808 15.075 0.697 1.00 0.00 H new ATOM 0 HA TYR A 54 5.782 12.788 2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.684 14.304 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.754 13.254 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.700 14.035 3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.915 16.470 0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.279 15.956 4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.496 18.383 1.542 1.00 0.00 H new ATOM 0 HH TYR A 54 2.825 18.230 4.679 1.00 0.00 H new ATOM 811 N GLU A 55 6.492 12.479 -1.048 1.00 0.00 N ATOM 812 CA GLU A 55 6.768 11.496 -2.120 1.00 0.00 C ATOM 813 C GLU A 55 7.845 10.497 -1.687 1.00 0.00 C ATOM 814 O GLU A 55 7.629 9.310 -1.801 1.00 0.00 O ATOM 815 CB GLU A 55 7.170 12.310 -3.359 1.00 0.00 C ATOM 816 CG GLU A 55 6.581 11.604 -4.579 1.00 0.00 C ATOM 817 CD GLU A 55 7.303 10.264 -4.833 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.488 10.330 -5.128 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.632 9.252 -4.711 1.00 0.00 O ATOM 0 H GLU A 55 6.609 13.456 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 55 5.893 10.887 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.793 13.330 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.255 12.376 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.517 11.426 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.673 12.245 -5.456 1.00 0.00 H new ATOM 826 N LYS A 56 8.965 10.983 -1.213 1.00 0.00 N ATOM 827 CA LYS A 56 10.070 10.087 -0.752 1.00 0.00 C ATOM 828 C LYS A 56 9.484 8.994 0.161 1.00 0.00 C ATOM 829 O LYS A 56 9.855 7.839 0.089 1.00 0.00 O ATOM 830 CB LYS A 56 11.130 10.934 0.033 1.00 0.00 C ATOM 831 CG LYS A 56 12.064 10.001 0.874 1.00 0.00 C ATOM 832 CD LYS A 56 13.166 10.793 1.614 1.00 0.00 C ATOM 833 CE LYS A 56 14.287 11.206 0.641 1.00 0.00 C ATOM 834 NZ LYS A 56 15.392 11.861 1.398 1.00 0.00 N ATOM 0 H LYS A 56 9.163 11.980 -1.125 1.00 0.00 H new ATOM 0 HA LYS A 56 10.554 9.618 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.726 11.520 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.624 11.641 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.466 9.449 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.527 9.265 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.734 11.680 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.581 10.184 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.664 10.330 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.895 11.889 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.147 12.139 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.028 12.706 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.773 11.196 2.101 1.00 0.00 H new ATOM 848 N LYS A 57 8.560 9.423 0.987 1.00 0.00 N ATOM 849 CA LYS A 57 7.893 8.495 1.948 1.00 0.00 C ATOM 850 C LYS A 57 7.185 7.423 1.123 1.00 0.00 C ATOM 851 O LYS A 57 7.501 6.253 1.211 1.00 0.00 O ATOM 852 CB LYS A 57 6.867 9.294 2.799 1.00 0.00 C ATOM 853 CG LYS A 57 6.875 8.788 4.264 1.00 0.00 C ATOM 854 CD LYS A 57 8.049 9.446 5.046 1.00 0.00 C ATOM 855 CE LYS A 57 7.541 10.642 5.896 1.00 0.00 C ATOM 856 NZ LYS A 57 6.826 11.660 5.071 1.00 0.00 N ATOM 0 H LYS A 57 8.237 10.389 1.035 1.00 0.00 H new ATOM 0 HA LYS A 57 8.613 8.034 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.111 10.356 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.869 9.185 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.927 9.027 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.977 7.703 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.520 8.707 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.812 9.789 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.873 10.274 6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.386 11.113 6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.625 12.499 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.422 11.933 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.932 11.259 4.722 1.00 0.00 H new ATOM 870 N ALA A 58 6.241 7.878 0.340 1.00 0.00 N ATOM 871 CA ALA A 58 5.449 6.966 -0.539 1.00 0.00 C ATOM 872 C ALA A 58 6.343 5.926 -1.217 1.00 0.00 C ATOM 873 O ALA A 58 6.093 4.741 -1.134 1.00 0.00 O ATOM 874 CB ALA A 58 4.739 7.785 -1.602 1.00 0.00 C ATOM 0 H ALA A 58 5.981 8.862 0.272 1.00 0.00 H new ATOM 0 HA ALA A 58 4.725 6.439 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.160 7.122 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.071 8.501 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.476 8.320 -2.201 1.00 0.00 H new ATOM 880 N ALA A 59 7.360 6.433 -1.868 1.00 0.00 N ATOM 881 CA ALA A 59 8.345 5.578 -2.588 1.00 0.00 C ATOM 882 C ALA A 59 8.839 4.475 -1.648 1.00 0.00 C ATOM 883 O ALA A 59 8.651 3.310 -1.927 1.00 0.00 O ATOM 884 CB ALA A 59 9.522 6.465 -3.060 1.00 0.00 C ATOM 0 H ALA A 59 7.551 7.433 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 59 7.882 5.110 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.251 5.851 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.148 7.241 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.997 6.929 -2.196 1.00 0.00 H new ATOM 890 N LYS A 60 9.446 4.882 -0.561 1.00 0.00 N ATOM 891 CA LYS A 60 9.985 3.933 0.457 1.00 0.00 C ATOM 892 C LYS A 60 8.976 2.822 0.773 1.00 0.00 C ATOM 893 O LYS A 60 9.317 1.657 0.774 1.00 0.00 O ATOM 894 CB LYS A 60 10.325 4.737 1.724 1.00 0.00 C ATOM 895 CG LYS A 60 11.251 3.901 2.640 1.00 0.00 C ATOM 896 CD LYS A 60 11.541 4.645 3.970 1.00 0.00 C ATOM 897 CE LYS A 60 12.207 6.016 3.721 1.00 0.00 C ATOM 898 NZ LYS A 60 12.549 6.651 5.025 1.00 0.00 N ATOM 0 H LYS A 60 9.594 5.865 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 60 10.879 3.447 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.814 5.672 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.411 4.999 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.785 2.939 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.188 3.694 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.610 4.786 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.190 4.033 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.107 5.890 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.534 6.661 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.997 7.574 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.682 6.785 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.207 6.038 5.548 1.00 0.00 H new ATOM 912 N LEU A 61 7.752 3.208 1.028 1.00 0.00 N ATOM 913 CA LEU A 61 6.709 2.179 1.347 1.00 0.00 C ATOM 914 C LEU A 61 6.405 1.287 0.135 1.00 0.00 C ATOM 915 O LEU A 61 6.532 0.082 0.239 1.00 0.00 O ATOM 916 CB LEU A 61 5.451 2.916 1.824 1.00 0.00 C ATOM 917 CG LEU A 61 5.849 3.907 2.954 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.587 4.553 3.507 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.667 3.209 4.083 1.00 0.00 C ATOM 0 H LEU A 61 7.430 4.176 1.030 1.00 0.00 H new ATOM 0 HA LEU A 61 7.075 1.515 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.992 3.454 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.712 2.203 2.190 1.00 0.00 H new ATOM 0 HG LEU A 61 6.500 4.674 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.853 5.251 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.074 5.090 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.929 3.782 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.923 3.939 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.070 2.412 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.581 2.788 3.663 1.00 0.00 H new ATOM 931 N LYS A 62 6.012 1.874 -0.970 1.00 0.00 N ATOM 932 CA LYS A 62 5.701 1.085 -2.211 1.00 0.00 C ATOM 933 C LYS A 62 6.827 0.046 -2.414 1.00 0.00 C ATOM 934 O LYS A 62 6.595 -1.123 -2.651 1.00 0.00 O ATOM 935 CB LYS A 62 5.616 2.080 -3.387 1.00 0.00 C ATOM 936 CG LYS A 62 5.291 1.323 -4.703 1.00 0.00 C ATOM 937 CD LYS A 62 5.215 2.279 -5.926 1.00 0.00 C ATOM 938 CE LYS A 62 3.976 3.197 -5.853 1.00 0.00 C ATOM 939 NZ LYS A 62 4.153 4.246 -4.812 1.00 0.00 N ATOM 0 H LYS A 62 5.891 2.882 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 62 4.754 0.550 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.847 2.826 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.560 2.615 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.054 0.566 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.341 0.799 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.118 2.888 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.181 1.694 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.808 3.666 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.090 2.602 -5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.820 5.160 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.604 3.992 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.160 4.320 -4.562 1.00 0.00 H new