USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 34 ASN : amide:sc= -7.15! C(o=-21!,f=-37!) USER MOD Set 1.2: A 36 ASN : amide:sc= -14.3! C(o=-21!,f=-29!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -5.77! C(o=-5.8!,f=-3.8!) USER MOD Single : A 31 CYS SG : rot 180:sc= -4.37! USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= -0.404 (180deg=-1.01) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= 0.0315 (180deg=-0.0762) USER MOD Single : A 47 HIS : no HE2:sc= -6.83! C(o=-6.8!,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0396! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.627 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -0.0151 (180deg=-0.0805) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -6.006 6.158 -2.082 1.00 0.00 N ATOM 116 CA PRO A 24 -5.095 7.305 -1.935 1.00 0.00 C ATOM 117 C PRO A 24 -4.262 7.067 -0.679 1.00 0.00 C ATOM 118 O PRO A 24 -4.365 7.783 0.296 1.00 0.00 O ATOM 119 CB PRO A 24 -6.032 8.501 -1.784 1.00 0.00 C ATOM 120 CG PRO A 24 -7.308 7.920 -1.271 1.00 0.00 C ATOM 121 CD PRO A 24 -7.403 6.525 -1.832 1.00 0.00 C ATOM 0 HA PRO A 24 -4.403 7.458 -2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.625 9.238 -1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.183 9.009 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.314 7.900 -0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.161 8.522 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.877 5.841 -1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.994 6.500 -2.748 1.00 0.00 H new ATOM 129 N ILE A 25 -3.448 6.042 -0.699 1.00 0.00 N ATOM 130 CA ILE A 25 -2.617 5.724 0.491 1.00 0.00 C ATOM 131 C ILE A 25 -1.521 6.768 0.670 1.00 0.00 C ATOM 132 O ILE A 25 -0.718 6.686 1.575 1.00 0.00 O ATOM 133 CB ILE A 25 -2.009 4.354 0.195 1.00 0.00 C ATOM 134 CG1 ILE A 25 -1.061 4.466 -0.995 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.122 3.363 -0.142 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.033 3.338 -0.934 1.00 0.00 C ATOM 0 H ILE A 25 -3.326 5.413 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.202 5.722 1.411 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.461 4.005 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.623 4.411 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.557 5.433 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.688 2.386 -0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.805 3.281 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.669 3.714 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.645 3.417 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.536 3.414 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.545 2.377 -0.967 1.00 0.00 H new ATOM 148 N SER A 26 -1.482 7.738 -0.197 1.00 0.00 N ATOM 149 CA SER A 26 -0.434 8.798 -0.099 1.00 0.00 C ATOM 150 C SER A 26 -0.122 9.131 1.365 1.00 0.00 C ATOM 151 O SER A 26 0.908 8.764 1.887 1.00 0.00 O ATOM 152 CB SER A 26 -1.032 10.013 -0.808 1.00 0.00 C ATOM 153 OG SER A 26 -0.062 10.566 -1.686 1.00 0.00 O ATOM 0 H SER A 26 -2.133 7.846 -0.975 1.00 0.00 H new ATOM 0 HA SER A 26 0.506 8.478 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.921 9.722 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.345 10.758 -0.077 1.00 0.00 H new ATOM 0 HG SER A 26 -0.442 11.345 -2.144 1.00 0.00 H new ATOM 159 N ARG A 27 -0.998 9.828 2.025 1.00 0.00 N ATOM 160 CA ARG A 27 -0.744 10.193 3.449 1.00 0.00 C ATOM 161 C ARG A 27 -0.461 8.949 4.301 1.00 0.00 C ATOM 162 O ARG A 27 0.243 9.011 5.287 1.00 0.00 O ATOM 163 CB ARG A 27 -2.036 10.873 3.910 1.00 0.00 C ATOM 164 CG ARG A 27 -2.008 12.352 3.512 1.00 0.00 C ATOM 165 CD ARG A 27 -3.395 12.964 3.727 1.00 0.00 C ATOM 166 NE ARG A 27 -3.488 13.196 5.195 1.00 0.00 N ATOM 167 CZ ARG A 27 -4.618 13.577 5.729 1.00 0.00 C ATOM 168 NH1 ARG A 27 -5.675 13.749 4.980 1.00 0.00 N ATOM 169 NH2 ARG A 27 -4.691 13.786 7.015 1.00 0.00 N ATOM 0 H ARG A 27 -1.882 10.163 1.642 1.00 0.00 H new ATOM 0 HA ARG A 27 0.130 10.837 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.898 10.381 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.143 10.779 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.267 12.886 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.712 12.453 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.506 13.896 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.181 12.292 3.383 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.668 13.057 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.620 13.586 3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.555 14.046 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.867 13.652 7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.572 14.083 7.434 1.00 0.00 H new ATOM 183 N LEU A 28 -1.019 7.826 3.948 1.00 0.00 N ATOM 184 CA LEU A 28 -0.798 6.596 4.766 1.00 0.00 C ATOM 185 C LEU A 28 0.657 6.111 4.719 1.00 0.00 C ATOM 186 O LEU A 28 1.408 6.283 5.658 1.00 0.00 O ATOM 187 CB LEU A 28 -1.724 5.550 4.156 1.00 0.00 C ATOM 188 CG LEU A 28 -2.825 5.196 5.159 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.195 4.778 6.489 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.724 6.416 5.381 1.00 0.00 C ATOM 0 H LEU A 28 -1.617 7.704 3.131 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.005 6.788 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.165 5.932 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.157 4.657 3.892 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.420 4.371 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.981 4.527 7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.556 3.909 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.598 5.600 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.508 6.165 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.128 7.241 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.176 6.712 4.434 1.00 0.00 H new ATOM 202 N GLU A 29 1.053 5.472 3.652 1.00 0.00 N ATOM 203 CA GLU A 29 2.448 4.938 3.573 1.00 0.00 C ATOM 204 C GLU A 29 3.461 6.045 3.276 1.00 0.00 C ATOM 205 O GLU A 29 4.608 5.958 3.665 1.00 0.00 O ATOM 206 CB GLU A 29 2.413 3.921 2.430 1.00 0.00 C ATOM 207 CG GLU A 29 2.438 4.645 1.084 1.00 0.00 C ATOM 208 CD GLU A 29 3.881 4.740 0.588 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.541 5.709 0.926 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.300 3.841 -0.122 1.00 0.00 O ATOM 0 H GLU A 29 0.474 5.295 2.831 1.00 0.00 H new ATOM 0 HA GLU A 29 2.760 4.495 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.267 3.247 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.515 3.308 2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.826 4.109 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.010 5.642 1.186 1.00 0.00 H new ATOM 217 N GLN A 30 3.070 7.079 2.586 1.00 0.00 N ATOM 218 CA GLN A 30 4.054 8.151 2.282 1.00 0.00 C ATOM 219 C GLN A 30 4.433 8.889 3.568 1.00 0.00 C ATOM 220 O GLN A 30 5.552 9.337 3.724 1.00 0.00 O ATOM 221 CB GLN A 30 3.357 9.089 1.296 1.00 0.00 C ATOM 222 CG GLN A 30 4.408 9.822 0.462 1.00 0.00 C ATOM 223 CD GLN A 30 5.333 10.614 1.389 1.00 0.00 C ATOM 224 OE1 GLN A 30 6.531 10.641 1.193 1.00 0.00 O ATOM 225 NE2 GLN A 30 4.822 11.266 2.398 1.00 0.00 N ATOM 0 H GLN A 30 2.128 7.227 2.225 1.00 0.00 H new ATOM 0 HA GLN A 30 4.976 7.754 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.692 8.521 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.739 9.807 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.987 9.107 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.922 10.494 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.816 11.243 2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.429 11.798 3.022 1.00 0.00 H new ATOM 234 N CYS A 31 3.527 9.006 4.502 1.00 0.00 N ATOM 235 CA CYS A 31 3.873 9.701 5.774 1.00 0.00 C ATOM 236 C CYS A 31 4.664 8.746 6.668 1.00 0.00 C ATOM 237 O CYS A 31 5.255 9.142 7.655 1.00 0.00 O ATOM 238 CB CYS A 31 2.537 10.063 6.422 1.00 0.00 C ATOM 239 SG CYS A 31 1.702 11.319 5.419 1.00 0.00 S ATOM 0 H CYS A 31 2.572 8.654 4.440 1.00 0.00 H new ATOM 0 HA CYS A 31 4.485 10.589 5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.910 9.176 6.509 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.700 10.438 7.432 1.00 0.00 H new ATOM 0 HG CYS A 31 0.564 11.626 5.968 1.00 0.00 H new ATOM 245 N GLY A 32 4.696 7.487 6.317 1.00 0.00 N ATOM 246 CA GLY A 32 5.463 6.505 7.128 1.00 0.00 C ATOM 247 C GLY A 32 4.522 5.464 7.746 1.00 0.00 C ATOM 248 O GLY A 32 4.365 5.405 8.949 1.00 0.00 O ATOM 0 H GLY A 32 4.222 7.099 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.204 6.007 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.009 7.023 7.916 1.00 0.00 H new ATOM 252 N ILE A 33 3.914 4.624 6.946 1.00 0.00 N ATOM 253 CA ILE A 33 3.019 3.587 7.527 1.00 0.00 C ATOM 254 C ILE A 33 3.887 2.416 8.009 1.00 0.00 C ATOM 255 O ILE A 33 4.834 2.607 8.747 1.00 0.00 O ATOM 256 CB ILE A 33 2.041 3.192 6.389 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.845 2.427 6.978 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.736 2.325 5.319 1.00 0.00 C ATOM 259 CD1 ILE A 33 0.294 3.188 8.185 1.00 0.00 C ATOM 0 H ILE A 33 3.999 4.613 5.930 1.00 0.00 H new ATOM 0 HA ILE A 33 2.447 3.928 8.390 1.00 0.00 H new ATOM 0 HB ILE A 33 1.697 4.108 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.068 2.310 6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.153 1.425 7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.020 2.068 4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.565 2.881 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.114 1.412 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.554 2.644 8.602 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.072 3.282 8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.030 4.181 7.872 1.00 0.00 H new ATOM 271 N ASN A 34 3.591 1.224 7.608 1.00 0.00 N ATOM 272 CA ASN A 34 4.419 0.062 8.047 1.00 0.00 C ATOM 273 C ASN A 34 5.697 -0.009 7.204 1.00 0.00 C ATOM 274 O ASN A 34 6.085 0.953 6.575 1.00 0.00 O ATOM 275 CB ASN A 34 3.540 -1.168 7.812 1.00 0.00 C ATOM 276 CG ASN A 34 3.015 -1.154 6.375 1.00 0.00 C ATOM 277 OD1 ASN A 34 3.733 -1.478 5.449 1.00 0.00 O ATOM 278 ND2 ASN A 34 1.782 -0.791 6.144 1.00 0.00 N ATOM 0 H ASN A 34 2.811 0.994 6.993 1.00 0.00 H new ATOM 0 HA ASN A 34 4.728 0.137 9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.113 -2.077 7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.707 -1.172 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.424 -0.780 5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.177 -0.519 6.919 1.00 0.00 H new ATOM 285 N ALA A 35 6.353 -1.140 7.180 1.00 0.00 N ATOM 286 CA ALA A 35 7.601 -1.258 6.365 1.00 0.00 C ATOM 287 C ALA A 35 7.401 -0.597 5.010 1.00 0.00 C ATOM 288 O ALA A 35 8.340 -0.152 4.376 1.00 0.00 O ATOM 289 CB ALA A 35 7.808 -2.753 6.154 1.00 0.00 C ATOM 0 H ALA A 35 6.082 -1.983 7.686 1.00 0.00 H new ATOM 0 HA ALA A 35 8.448 -0.781 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.709 -2.916 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.915 -3.245 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.948 -3.169 5.628 1.00 0.00 H new ATOM 295 N ASN A 36 6.184 -0.560 4.554 1.00 0.00 N ATOM 296 CA ASN A 36 5.898 0.037 3.225 1.00 0.00 C ATOM 297 C ASN A 36 6.768 1.260 2.964 1.00 0.00 C ATOM 298 O ASN A 36 7.314 1.415 1.891 1.00 0.00 O ATOM 299 CB ASN A 36 4.431 0.450 3.266 1.00 0.00 C ATOM 300 CG ASN A 36 3.554 -0.762 2.956 1.00 0.00 C ATOM 301 OD1 ASN A 36 4.046 -1.799 2.558 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.265 -0.674 3.119 1.00 0.00 N ATOM 0 H ASN A 36 5.369 -0.921 5.049 1.00 0.00 H new ATOM 0 HA ASN A 36 6.109 -0.676 2.428 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.182 0.851 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.244 1.243 2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.669 -1.476 2.913 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.851 0.196 3.453 1.00 0.00 H new ATOM 309 N ASP A 37 6.885 2.132 3.924 1.00 0.00 N ATOM 310 CA ASP A 37 7.711 3.356 3.722 1.00 0.00 C ATOM 311 C ASP A 37 8.922 3.040 2.841 1.00 0.00 C ATOM 312 O ASP A 37 8.986 3.422 1.688 1.00 0.00 O ATOM 313 CB ASP A 37 8.161 3.760 5.127 1.00 0.00 C ATOM 314 CG ASP A 37 9.285 4.792 5.023 1.00 0.00 C ATOM 315 OD1 ASP A 37 10.389 4.404 4.680 1.00 0.00 O ATOM 316 OD2 ASP A 37 9.020 5.954 5.288 1.00 0.00 O ATOM 0 H ASP A 37 6.445 2.051 4.841 1.00 0.00 H new ATOM 0 HA ASP A 37 7.157 4.152 3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.321 4.175 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.506 2.884 5.676 1.00 0.00 H new ATOM 321 N VAL A 38 9.874 2.337 3.383 1.00 0.00 N ATOM 322 CA VAL A 38 11.100 1.983 2.613 1.00 0.00 C ATOM 323 C VAL A 38 10.783 1.176 1.348 1.00 0.00 C ATOM 324 O VAL A 38 11.169 1.541 0.258 1.00 0.00 O ATOM 325 CB VAL A 38 11.917 1.120 3.572 1.00 0.00 C ATOM 326 CG1 VAL A 38 13.238 0.731 2.909 1.00 0.00 C ATOM 327 CG2 VAL A 38 12.201 1.911 4.852 1.00 0.00 C ATOM 0 H VAL A 38 9.856 1.987 4.341 1.00 0.00 H new ATOM 0 HA VAL A 38 11.619 2.880 2.277 1.00 0.00 H new ATOM 0 HB VAL A 38 11.356 0.218 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.821 0.115 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.036 0.169 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.800 1.632 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.784 1.296 5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.762 2.812 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.259 2.188 5.325 1.00 0.00 H new ATOM 337 N LYS A 39 10.136 0.055 1.489 1.00 0.00 N ATOM 338 CA LYS A 39 9.866 -0.804 0.299 1.00 0.00 C ATOM 339 C LYS A 39 8.724 -0.279 -0.576 1.00 0.00 C ATOM 340 O LYS A 39 8.888 -0.064 -1.760 1.00 0.00 O ATOM 341 CB LYS A 39 9.490 -2.166 0.877 1.00 0.00 C ATOM 342 CG LYS A 39 10.530 -2.579 1.916 1.00 0.00 C ATOM 343 CD LYS A 39 9.923 -2.470 3.313 1.00 0.00 C ATOM 344 CE LYS A 39 10.544 -3.528 4.221 1.00 0.00 C ATOM 345 NZ LYS A 39 9.735 -4.758 3.992 1.00 0.00 N ATOM 0 H LYS A 39 9.782 -0.306 2.375 1.00 0.00 H new ATOM 0 HA LYS A 39 10.740 -0.832 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.502 -2.119 1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.439 -2.910 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.860 -3.601 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.410 -1.941 1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.100 -1.475 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.843 -2.606 3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.593 -3.694 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.508 -3.221 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.453 -5.164 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.885 -4.517 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.301 -5.453 3.465 1.00 0.00 H new ATOM 359 N LYS A 40 7.558 -0.125 -0.027 1.00 0.00 N ATOM 360 CA LYS A 40 6.404 0.320 -0.864 1.00 0.00 C ATOM 361 C LYS A 40 6.708 1.584 -1.688 1.00 0.00 C ATOM 362 O LYS A 40 6.521 1.601 -2.889 1.00 0.00 O ATOM 363 CB LYS A 40 5.267 0.618 0.105 1.00 0.00 C ATOM 364 CG LYS A 40 4.098 -0.336 -0.149 1.00 0.00 C ATOM 365 CD LYS A 40 2.789 0.334 0.281 1.00 0.00 C ATOM 366 CE LYS A 40 2.470 1.490 -0.668 1.00 0.00 C ATOM 367 NZ LYS A 40 1.714 0.871 -1.791 1.00 0.00 N ATOM 0 H LYS A 40 7.349 -0.285 0.958 1.00 0.00 H new ATOM 0 HA LYS A 40 6.161 -0.462 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.617 0.512 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.937 1.650 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.054 -0.601 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.244 -1.263 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.976 -0.392 0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.876 0.702 1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.878 2.258 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.381 1.971 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.695 1.526 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.178 -0.016 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.741 0.670 -1.485 1.00 0.00 H new ATOM 381 N LEU A 41 7.092 2.668 -1.054 1.00 0.00 N ATOM 382 CA LEU A 41 7.301 3.938 -1.828 1.00 0.00 C ATOM 383 C LEU A 41 8.714 4.125 -2.409 1.00 0.00 C ATOM 384 O LEU A 41 8.865 4.743 -3.445 1.00 0.00 O ATOM 385 CB LEU A 41 6.972 5.065 -0.839 1.00 0.00 C ATOM 386 CG LEU A 41 8.202 5.435 -0.005 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.867 6.680 -0.595 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.762 5.726 1.431 1.00 0.00 C ATOM 0 H LEU A 41 7.268 2.731 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 41 6.663 3.927 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.620 5.941 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.162 4.752 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 41 8.913 4.609 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.742 6.942 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.173 6.477 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.160 7.510 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.632 5.990 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.054 6.555 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.286 4.841 1.852 1.00 0.00 H new ATOM 400 N GLU A 42 9.752 3.662 -1.772 1.00 0.00 N ATOM 401 CA GLU A 42 11.108 3.917 -2.348 1.00 0.00 C ATOM 402 C GLU A 42 11.453 2.919 -3.451 1.00 0.00 C ATOM 403 O GLU A 42 12.217 3.219 -4.349 1.00 0.00 O ATOM 404 CB GLU A 42 12.088 3.786 -1.186 1.00 0.00 C ATOM 405 CG GLU A 42 13.406 4.458 -1.566 1.00 0.00 C ATOM 406 CD GLU A 42 13.394 5.911 -1.091 1.00 0.00 C ATOM 407 OE1 GLU A 42 12.980 6.142 0.034 1.00 0.00 O ATOM 408 OE2 GLU A 42 13.797 6.769 -1.859 1.00 0.00 O ATOM 0 H GLU A 42 9.728 3.132 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 42 11.150 4.904 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.674 4.250 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.256 2.735 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.242 3.924 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.548 4.419 -2.646 1.00 0.00 H new ATOM 415 N GLU A 43 10.910 1.742 -3.404 1.00 0.00 N ATOM 416 CA GLU A 43 11.225 0.747 -4.465 1.00 0.00 C ATOM 417 C GLU A 43 10.587 1.166 -5.785 1.00 0.00 C ATOM 418 O GLU A 43 10.763 0.526 -6.802 1.00 0.00 O ATOM 419 CB GLU A 43 10.620 -0.559 -3.971 1.00 0.00 C ATOM 420 CG GLU A 43 11.191 -0.879 -2.593 1.00 0.00 C ATOM 421 CD GLU A 43 12.709 -1.048 -2.694 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.195 -1.206 -3.802 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.359 -1.013 -1.662 1.00 0.00 O ATOM 0 H GLU A 43 10.264 1.423 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 43 12.297 0.658 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.534 -0.475 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.844 -1.366 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.950 -0.079 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.738 -1.791 -2.203 1.00 0.00 H new ATOM 430 N ALA A 44 9.839 2.230 -5.778 1.00 0.00 N ATOM 431 CA ALA A 44 9.185 2.675 -7.032 1.00 0.00 C ATOM 432 C ALA A 44 8.507 4.025 -6.824 1.00 0.00 C ATOM 433 O ALA A 44 8.585 4.910 -7.652 1.00 0.00 O ATOM 434 CB ALA A 44 8.141 1.606 -7.301 1.00 0.00 C ATOM 0 H ALA A 44 9.653 2.809 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 44 9.891 2.796 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.600 1.848 -8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.631 0.639 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.441 1.562 -6.466 1.00 0.00 H new ATOM 440 N GLY A 45 7.833 4.182 -5.722 1.00 0.00 N ATOM 441 CA GLY A 45 7.139 5.468 -5.457 1.00 0.00 C ATOM 442 C GLY A 45 5.647 5.210 -5.250 1.00 0.00 C ATOM 443 O GLY A 45 4.865 6.133 -5.148 1.00 0.00 O ATOM 0 H GLY A 45 7.733 3.475 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.562 5.946 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.288 6.152 -6.292 1.00 0.00 H new ATOM 447 N PHE A 46 5.236 3.966 -5.213 1.00 0.00 N ATOM 448 CA PHE A 46 3.772 3.644 -5.032 1.00 0.00 C ATOM 449 C PHE A 46 3.181 4.201 -3.721 1.00 0.00 C ATOM 450 O PHE A 46 2.388 3.542 -3.078 1.00 0.00 O ATOM 451 CB PHE A 46 3.694 2.115 -4.996 1.00 0.00 C ATOM 452 CG PHE A 46 4.446 1.527 -6.161 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.834 2.342 -7.223 1.00 0.00 C ATOM 454 CD2 PHE A 46 4.765 0.165 -6.174 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.532 1.807 -8.294 1.00 0.00 C ATOM 456 CE2 PHE A 46 5.467 -0.378 -7.253 1.00 0.00 C ATOM 457 CZ PHE A 46 5.853 0.444 -8.317 1.00 0.00 C ATOM 0 H PHE A 46 5.847 3.154 -5.300 1.00 0.00 H new ATOM 0 HA PHE A 46 3.198 4.098 -5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.112 1.744 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.652 1.796 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.590 3.394 -7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.469 -0.467 -5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.830 2.444 -9.114 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.711 -1.430 -7.266 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.396 0.029 -9.153 1.00 0.00 H new ATOM 467 N HIS A 47 3.523 5.394 -3.322 1.00 0.00 N ATOM 468 CA HIS A 47 2.930 5.950 -2.070 1.00 0.00 C ATOM 469 C HIS A 47 1.670 6.743 -2.406 1.00 0.00 C ATOM 470 O HIS A 47 1.621 7.945 -2.246 1.00 0.00 O ATOM 471 CB HIS A 47 4.001 6.865 -1.478 1.00 0.00 C ATOM 472 CG HIS A 47 4.428 7.869 -2.512 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.619 8.569 -2.416 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.833 8.299 -3.672 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.702 9.375 -3.491 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.640 9.250 -4.289 1.00 0.00 N ATOM 0 H HIS A 47 4.182 6.006 -3.803 1.00 0.00 H new ATOM 0 HA HIS A 47 2.644 5.168 -1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.612 7.376 -0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.858 6.276 -1.151 1.00 0.00 H new ATOM 0 HD1 HIS A 47 6.307 8.489 -1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.882 7.952 -4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.529 10.043 -3.684 1.00 0.00 H new ATOM 484 N THR A 48 0.655 6.075 -2.874 1.00 0.00 N ATOM 485 CA THR A 48 -0.613 6.775 -3.227 1.00 0.00 C ATOM 486 C THR A 48 -1.559 5.801 -3.925 1.00 0.00 C ATOM 487 O THR A 48 -1.341 4.607 -3.922 1.00 0.00 O ATOM 488 CB THR A 48 -0.213 7.900 -4.187 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.382 8.425 -4.804 1.00 0.00 O ATOM 490 CG2 THR A 48 0.725 7.355 -5.263 1.00 0.00 C ATOM 0 H THR A 48 0.648 5.067 -3.029 1.00 0.00 H new ATOM 0 HA THR A 48 -1.125 7.163 -2.346 1.00 0.00 H new ATOM 0 HB THR A 48 0.298 8.686 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.132 9.147 -5.418 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.006 8.160 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.620 6.948 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.219 6.568 -5.822 1.00 0.00 H new ATOM 498 N VAL A 49 -2.601 6.313 -4.523 1.00 0.00 N ATOM 499 CA VAL A 49 -3.581 5.440 -5.238 1.00 0.00 C ATOM 500 C VAL A 49 -2.879 4.236 -5.881 1.00 0.00 C ATOM 501 O VAL A 49 -3.457 3.174 -6.013 1.00 0.00 O ATOM 502 CB VAL A 49 -4.188 6.337 -6.315 1.00 0.00 C ATOM 503 CG1 VAL A 49 -4.939 5.475 -7.334 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.163 7.322 -5.668 1.00 0.00 C ATOM 0 H VAL A 49 -2.819 7.309 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.332 5.034 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.393 6.888 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.372 6.115 -8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.247 4.771 -7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.733 4.925 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.596 7.962 -6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.957 6.770 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.631 7.936 -4.941 1.00 0.00 H new ATOM 514 N GLU A 50 -1.642 4.396 -6.280 1.00 0.00 N ATOM 515 CA GLU A 50 -0.894 3.266 -6.912 1.00 0.00 C ATOM 516 C GLU A 50 -1.256 1.935 -6.243 1.00 0.00 C ATOM 517 O GLU A 50 -1.236 0.893 -6.869 1.00 0.00 O ATOM 518 CB GLU A 50 0.581 3.592 -6.679 1.00 0.00 C ATOM 519 CG GLU A 50 0.987 4.776 -7.555 1.00 0.00 C ATOM 520 CD GLU A 50 2.164 4.370 -8.444 1.00 0.00 C ATOM 521 OE1 GLU A 50 2.228 3.210 -8.814 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.982 5.227 -8.740 1.00 0.00 O ATOM 0 H GLU A 50 -1.115 5.265 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.133 3.161 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.750 3.829 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.197 2.724 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.145 5.093 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.264 5.626 -6.931 1.00 0.00 H new ATOM 529 N ALA A 51 -1.590 1.960 -4.981 1.00 0.00 N ATOM 530 CA ALA A 51 -1.954 0.692 -4.287 1.00 0.00 C ATOM 531 C ALA A 51 -2.949 -0.099 -5.142 1.00 0.00 C ATOM 532 O ALA A 51 -3.063 -1.303 -5.025 1.00 0.00 O ATOM 533 CB ALA A 51 -2.602 1.126 -2.971 1.00 0.00 C ATOM 0 H ALA A 51 -1.626 2.800 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.091 0.048 -4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.898 0.244 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.889 1.710 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.482 1.734 -3.182 1.00 0.00 H new ATOM 539 N VAL A 52 -3.666 0.571 -6.004 1.00 0.00 N ATOM 540 CA VAL A 52 -4.650 -0.138 -6.872 1.00 0.00 C ATOM 541 C VAL A 52 -4.704 0.523 -8.252 1.00 0.00 C ATOM 542 O VAL A 52 -5.472 1.436 -8.485 1.00 0.00 O ATOM 543 CB VAL A 52 -5.992 0.010 -6.155 1.00 0.00 C ATOM 544 CG1 VAL A 52 -7.128 -0.336 -7.120 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.035 -0.940 -4.955 1.00 0.00 C ATOM 0 H VAL A 52 -3.613 1.580 -6.145 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.386 -1.184 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.109 1.038 -5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.085 -0.230 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.097 0.339 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.012 -1.364 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.991 -0.836 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.918 -1.967 -5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.226 -0.694 -4.267 1.00 0.00 H new ATOM 555 N ALA A 53 -3.892 0.070 -9.167 1.00 0.00 N ATOM 556 CA ALA A 53 -3.895 0.672 -10.532 1.00 0.00 C ATOM 557 C ALA A 53 -3.253 -0.293 -11.535 1.00 0.00 C ATOM 558 O ALA A 53 -3.920 -1.117 -12.129 1.00 0.00 O ATOM 559 CB ALA A 53 -3.061 1.949 -10.402 1.00 0.00 C ATOM 0 H ALA A 53 -3.226 -0.691 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.903 0.879 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.014 2.453 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.522 2.611 -9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.052 1.693 -10.077 1.00 0.00 H new ATOM 565 N TYR A 54 -1.966 -0.199 -11.728 1.00 0.00 N ATOM 566 CA TYR A 54 -1.287 -1.115 -12.694 1.00 0.00 C ATOM 567 C TYR A 54 -0.174 -1.898 -11.993 1.00 0.00 C ATOM 568 O TYR A 54 0.874 -2.145 -12.557 1.00 0.00 O ATOM 569 CB TYR A 54 -0.704 -0.210 -13.782 1.00 0.00 C ATOM 570 CG TYR A 54 -0.147 1.051 -13.160 1.00 0.00 C ATOM 571 CD1 TYR A 54 1.151 1.062 -12.634 1.00 0.00 C ATOM 572 CD2 TYR A 54 -0.932 2.207 -13.110 1.00 0.00 C ATOM 573 CE1 TYR A 54 1.661 2.231 -12.058 1.00 0.00 C ATOM 574 CE2 TYR A 54 -0.423 3.376 -12.535 1.00 0.00 C ATOM 575 CZ TYR A 54 0.874 3.388 -12.010 1.00 0.00 C ATOM 576 OH TYR A 54 1.376 4.540 -11.440 1.00 0.00 O ATOM 0 H TYR A 54 -1.354 0.470 -11.261 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.978 -1.848 -13.110 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.082 -0.737 -14.323 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.476 0.043 -14.509 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.758 0.169 -12.673 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.933 2.197 -13.516 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.661 2.241 -11.651 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.030 4.268 -12.496 1.00 0.00 H new ATOM 0 HH TYR A 54 0.702 5.250 -11.489 1.00 0.00 H new ATOM 586 N ALA A 55 -0.398 -2.296 -10.773 1.00 0.00 N ATOM 587 CA ALA A 55 0.638 -3.073 -10.034 1.00 0.00 C ATOM 588 C ALA A 55 0.005 -3.753 -8.820 1.00 0.00 C ATOM 589 O ALA A 55 -0.404 -3.095 -7.885 1.00 0.00 O ATOM 590 CB ALA A 55 1.681 -2.045 -9.586 1.00 0.00 C ATOM 0 H ALA A 55 -1.257 -2.117 -10.253 1.00 0.00 H new ATOM 0 HA ALA A 55 1.084 -3.853 -10.651 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.475 -2.549 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.104 -1.551 -10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.208 -1.303 -8.943 1.00 0.00 H new ATOM 596 N PRO A 56 -0.053 -5.055 -8.874 1.00 0.00 N ATOM 597 CA PRO A 56 -0.640 -5.834 -7.761 1.00 0.00 C ATOM 598 C PRO A 56 0.269 -5.752 -6.541 1.00 0.00 C ATOM 599 O PRO A 56 1.461 -5.960 -6.631 1.00 0.00 O ATOM 600 CB PRO A 56 -0.708 -7.256 -8.309 1.00 0.00 C ATOM 601 CG PRO A 56 0.340 -7.304 -9.374 1.00 0.00 C ATOM 602 CD PRO A 56 0.425 -5.919 -9.959 1.00 0.00 C ATOM 0 HA PRO A 56 -1.617 -5.472 -7.441 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.513 -7.991 -7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.695 -7.477 -8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.301 -7.608 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.079 -8.033 -10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.445 -5.669 -10.250 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.194 -5.822 -10.851 1.00 0.00 H new ATOM 610 N LYS A 57 -0.286 -5.443 -5.405 1.00 0.00 N ATOM 611 CA LYS A 57 0.548 -5.342 -4.178 1.00 0.00 C ATOM 612 C LYS A 57 1.562 -6.483 -4.137 1.00 0.00 C ATOM 613 O LYS A 57 2.652 -6.330 -3.638 1.00 0.00 O ATOM 614 CB LYS A 57 -0.434 -5.467 -3.016 1.00 0.00 C ATOM 615 CG LYS A 57 -1.467 -4.341 -3.086 1.00 0.00 C ATOM 616 CD LYS A 57 -2.846 -4.893 -2.721 1.00 0.00 C ATOM 617 CE LYS A 57 -3.259 -5.951 -3.747 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.668 -6.288 -3.403 1.00 0.00 N ATOM 0 H LYS A 57 -1.280 -5.256 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 57 1.110 -4.409 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.934 -6.435 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.103 -5.422 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.192 -3.538 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.488 -3.914 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.822 -5.329 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.579 -4.086 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.182 -5.567 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.617 -6.830 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.024 -7.009 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.709 -6.657 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.257 -5.433 -3.474 1.00 0.00 H new ATOM 632 N LYS A 58 1.206 -7.627 -4.658 1.00 0.00 N ATOM 633 CA LYS A 58 2.153 -8.782 -4.641 1.00 0.00 C ATOM 634 C LYS A 58 3.330 -8.532 -5.589 1.00 0.00 C ATOM 635 O LYS A 58 4.404 -9.076 -5.423 1.00 0.00 O ATOM 636 CB LYS A 58 1.326 -9.974 -5.122 1.00 0.00 C ATOM 637 CG LYS A 58 2.178 -11.245 -5.064 1.00 0.00 C ATOM 638 CD LYS A 58 1.293 -12.463 -5.334 1.00 0.00 C ATOM 639 CE LYS A 58 0.621 -12.310 -6.701 1.00 0.00 C ATOM 640 NZ LYS A 58 1.104 -13.471 -7.500 1.00 0.00 N ATOM 0 H LYS A 58 0.303 -7.812 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 58 2.579 -8.946 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.439 -10.090 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.980 -9.802 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.979 -11.193 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.651 -11.335 -4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.892 -13.374 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.538 -12.558 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.465 -12.318 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.894 -11.366 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.686 -13.436 -8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.141 -13.433 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.823 -14.356 -7.031 1.00 0.00 H new ATOM 654 N GLU A 59 3.140 -7.704 -6.572 1.00 0.00 N ATOM 655 CA GLU A 59 4.248 -7.415 -7.525 1.00 0.00 C ATOM 656 C GLU A 59 5.173 -6.373 -6.915 1.00 0.00 C ATOM 657 O GLU A 59 6.379 -6.515 -6.916 1.00 0.00 O ATOM 658 CB GLU A 59 3.571 -6.869 -8.785 1.00 0.00 C ATOM 659 CG GLU A 59 4.611 -6.165 -9.659 1.00 0.00 C ATOM 660 CD GLU A 59 4.169 -6.213 -11.124 1.00 0.00 C ATOM 661 OE1 GLU A 59 3.463 -5.309 -11.538 1.00 0.00 O ATOM 662 OE2 GLU A 59 4.547 -7.152 -11.804 1.00 0.00 O ATOM 0 H GLU A 59 2.266 -7.213 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 59 4.849 -8.296 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.104 -7.682 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.778 -6.172 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.730 -5.130 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.582 -6.647 -9.546 1.00 0.00 H new ATOM 669 N LEU A 60 4.615 -5.335 -6.372 1.00 0.00 N ATOM 670 CA LEU A 60 5.463 -4.300 -5.739 1.00 0.00 C ATOM 671 C LEU A 60 6.261 -4.954 -4.602 1.00 0.00 C ATOM 672 O LEU A 60 7.475 -5.004 -4.622 1.00 0.00 O ATOM 673 CB LEU A 60 4.465 -3.242 -5.224 1.00 0.00 C ATOM 674 CG LEU A 60 4.804 -2.796 -3.794 1.00 0.00 C ATOM 675 CD1 LEU A 60 6.270 -2.353 -3.719 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.896 -1.628 -3.403 1.00 0.00 C ATOM 0 H LEU A 60 3.611 -5.159 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 60 6.190 -3.844 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.475 -2.377 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.455 -3.651 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 60 4.649 -3.629 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.503 -2.038 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.916 -3.185 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.434 -1.521 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.132 -1.307 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.054 -0.798 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.854 -1.945 -3.450 1.00 0.00 H new ATOM 688 N ILE A 61 5.575 -5.451 -3.607 1.00 0.00 N ATOM 689 CA ILE A 61 6.270 -6.096 -2.460 1.00 0.00 C ATOM 690 C ILE A 61 7.314 -7.069 -2.974 1.00 0.00 C ATOM 691 O ILE A 61 8.337 -7.283 -2.355 1.00 0.00 O ATOM 692 CB ILE A 61 5.172 -6.833 -1.724 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.495 -7.793 -2.708 1.00 0.00 C ATOM 694 CG2 ILE A 61 4.168 -5.809 -1.194 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.286 -9.103 -2.767 1.00 0.00 C ATOM 0 H ILE A 61 4.557 -5.437 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 61 6.788 -5.382 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 61 5.572 -7.402 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.469 -7.989 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.445 -7.341 -3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.370 -6.325 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.673 -5.122 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.745 -5.249 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.806 -9.787 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.304 -8.899 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.313 -9.557 -1.776 1.00 0.00 H new ATOM 707 N ASN A 62 7.077 -7.647 -4.119 1.00 0.00 N ATOM 708 CA ASN A 62 8.080 -8.585 -4.676 1.00 0.00 C ATOM 709 C ASN A 62 9.429 -7.872 -4.782 1.00 0.00 C ATOM 710 O ASN A 62 10.447 -8.495 -5.009 1.00 0.00 O ATOM 711 CB ASN A 62 7.562 -8.970 -6.063 1.00 0.00 C ATOM 712 CG ASN A 62 7.345 -10.483 -6.124 1.00 0.00 C ATOM 713 OD1 ASN A 62 7.219 -11.132 -5.106 1.00 0.00 O ATOM 714 ND2 ASN A 62 7.296 -11.078 -7.286 1.00 0.00 N ATOM 0 H ASN A 62 6.240 -7.510 -4.685 1.00 0.00 H new ATOM 0 HA ASN A 62 8.219 -9.467 -4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.628 -8.449 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.276 -8.663 -6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.152 -12.087 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.402 -10.534 -8.142 1.00 0.00 H new ATOM 721 N ILE A 63 9.460 -6.570 -4.603 1.00 0.00 N ATOM 722 CA ILE A 63 10.769 -5.868 -4.688 1.00 0.00 C ATOM 723 C ILE A 63 11.734 -6.509 -3.702 1.00 0.00 C ATOM 724 O ILE A 63 12.524 -7.366 -4.047 1.00 0.00 O ATOM 725 CB ILE A 63 10.466 -4.409 -4.325 1.00 0.00 C ATOM 726 CG1 ILE A 63 10.072 -3.657 -5.598 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.700 -3.741 -3.713 1.00 0.00 C ATOM 728 CD1 ILE A 63 9.011 -2.613 -5.264 1.00 0.00 C ATOM 0 H ILE A 63 8.651 -5.980 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 63 11.232 -5.929 -5.673 1.00 0.00 H new ATOM 0 HB ILE A 63 9.655 -4.383 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.947 -3.175 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.689 -4.355 -6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.467 -2.706 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.993 -4.276 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.520 -3.764 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.730 -2.077 -6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.133 -3.107 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.411 -1.908 -4.535 1.00 0.00 H new ATOM 740 N LYS A 64 11.657 -6.111 -2.479 1.00 0.00 N ATOM 741 CA LYS A 64 12.548 -6.702 -1.443 1.00 0.00 C ATOM 742 C LYS A 64 12.189 -8.176 -1.246 1.00 0.00 C ATOM 743 O LYS A 64 13.049 -9.020 -1.082 1.00 0.00 O ATOM 744 CB LYS A 64 12.276 -5.901 -0.171 1.00 0.00 C ATOM 745 CG LYS A 64 13.374 -6.189 0.854 1.00 0.00 C ATOM 746 CD LYS A 64 12.835 -7.135 1.928 1.00 0.00 C ATOM 747 CE LYS A 64 13.263 -8.569 1.610 1.00 0.00 C ATOM 748 NZ LYS A 64 13.978 -9.036 2.830 1.00 0.00 N ATOM 0 H LYS A 64 11.013 -5.396 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 64 13.601 -6.658 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.246 -4.835 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.302 -6.167 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.238 -6.636 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.713 -5.259 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.211 -6.841 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.748 -7.070 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.401 -9.199 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.912 -8.603 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.303 -10.014 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.798 -8.421 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.334 -8.999 3.645 1.00 0.00 H new ATOM 762 N GLY A 65 10.921 -8.494 -1.271 1.00 0.00 N ATOM 763 CA GLY A 65 10.504 -9.915 -1.098 1.00 0.00 C ATOM 764 C GLY A 65 9.340 -10.013 -0.106 1.00 0.00 C ATOM 765 O GLY A 65 9.191 -11.002 0.584 1.00 0.00 O ATOM 0 H GLY A 65 10.157 -7.831 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.207 -10.333 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.346 -10.507 -0.740 1.00 0.00 H new ATOM 769 N ILE A 66 8.514 -9.003 -0.023 1.00 0.00 N ATOM 770 CA ILE A 66 7.373 -9.064 0.933 1.00 0.00 C ATOM 771 C ILE A 66 6.110 -9.585 0.233 1.00 0.00 C ATOM 772 O ILE A 66 6.158 -10.486 -0.580 1.00 0.00 O ATOM 773 CB ILE A 66 7.132 -7.625 1.416 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.422 -6.794 1.394 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.613 -7.682 2.846 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.366 -5.783 0.244 1.00 0.00 C ATOM 0 H ILE A 66 8.580 -8.146 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 66 7.599 -9.737 1.760 1.00 0.00 H new ATOM 0 HB ILE A 66 6.413 -7.152 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.546 -6.273 2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.285 -7.448 1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.435 -6.670 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.681 -8.246 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.351 -8.171 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.284 -5.195 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.262 -6.314 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.512 -5.120 0.384 1.00 0.00 H new ATOM 788 N SER A 67 4.982 -9.012 0.561 1.00 0.00 N ATOM 789 CA SER A 67 3.686 -9.428 -0.042 1.00 0.00 C ATOM 790 C SER A 67 2.581 -8.661 0.672 1.00 0.00 C ATOM 791 O SER A 67 2.748 -7.509 1.034 1.00 0.00 O ATOM 792 CB SER A 67 3.568 -10.927 0.234 1.00 0.00 C ATOM 793 OG SER A 67 2.291 -11.384 -0.193 1.00 0.00 O ATOM 0 H SER A 67 4.906 -8.254 1.239 1.00 0.00 H new ATOM 0 HA SER A 67 3.617 -9.228 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.355 -11.468 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.701 -11.124 1.298 1.00 0.00 H new ATOM 0 HG SER A 67 2.213 -12.345 -0.019 1.00 0.00 H new ATOM 799 N GLU A 68 1.473 -9.283 0.933 1.00 0.00 N ATOM 800 CA GLU A 68 0.413 -8.563 1.676 1.00 0.00 C ATOM 801 C GLU A 68 1.019 -8.057 2.992 1.00 0.00 C ATOM 802 O GLU A 68 0.475 -7.194 3.651 1.00 0.00 O ATOM 803 CB GLU A 68 -0.682 -9.602 1.934 1.00 0.00 C ATOM 804 CG GLU A 68 -1.802 -9.428 0.905 1.00 0.00 C ATOM 805 CD GLU A 68 -2.220 -10.797 0.362 1.00 0.00 C ATOM 806 OE1 GLU A 68 -1.723 -11.791 0.865 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.032 -10.827 -0.549 1.00 0.00 O ATOM 0 H GLU A 68 1.257 -10.244 0.669 1.00 0.00 H new ATOM 0 HA GLU A 68 0.007 -7.706 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.267 -10.608 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.079 -9.485 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.657 -8.931 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.463 -8.790 0.089 1.00 0.00 H new ATOM 814 N ALA A 69 2.151 -8.607 3.374 1.00 0.00 N ATOM 815 CA ALA A 69 2.816 -8.189 4.637 1.00 0.00 C ATOM 816 C ALA A 69 2.674 -6.686 4.873 1.00 0.00 C ATOM 817 O ALA A 69 1.823 -6.237 5.617 1.00 0.00 O ATOM 818 CB ALA A 69 4.288 -8.548 4.432 1.00 0.00 C ATOM 0 H ALA A 69 2.641 -9.335 2.854 1.00 0.00 H new ATOM 0 HA ALA A 69 2.374 -8.679 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.857 -8.273 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.380 -9.620 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.678 -8.007 3.570 1.00 0.00 H new ATOM 824 N LYS A 70 3.501 -5.904 4.241 1.00 0.00 N ATOM 825 CA LYS A 70 3.422 -4.435 4.429 1.00 0.00 C ATOM 826 C LYS A 70 2.413 -3.837 3.453 1.00 0.00 C ATOM 827 O LYS A 70 1.682 -2.925 3.788 1.00 0.00 O ATOM 828 CB LYS A 70 4.838 -3.934 4.151 1.00 0.00 C ATOM 829 CG LYS A 70 5.838 -4.837 4.878 1.00 0.00 C ATOM 830 CD LYS A 70 5.395 -5.020 6.333 1.00 0.00 C ATOM 831 CE LYS A 70 6.550 -5.604 7.153 1.00 0.00 C ATOM 832 NZ LYS A 70 6.407 -4.996 8.505 1.00 0.00 N ATOM 0 H LYS A 70 4.229 -6.222 3.601 1.00 0.00 H new ATOM 0 HA LYS A 70 3.087 -4.150 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.036 -3.940 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.946 -2.904 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.899 -5.805 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.835 -4.397 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.086 -4.063 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.531 -5.683 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.490 -6.691 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.514 -5.357 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.228 -5.253 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.356 -3.961 8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.538 -5.349 8.954 1.00 0.00 H new ATOM 846 N ALA A 71 2.348 -4.344 2.253 1.00 0.00 N ATOM 847 CA ALA A 71 1.359 -3.789 1.287 1.00 0.00 C ATOM 848 C ALA A 71 -0.040 -3.853 1.899 1.00 0.00 C ATOM 849 O ALA A 71 -0.648 -2.845 2.202 1.00 0.00 O ATOM 850 CB ALA A 71 1.439 -4.695 0.065 1.00 0.00 C ATOM 0 H ALA A 71 2.927 -5.107 1.903 1.00 0.00 H new ATOM 0 HA ALA A 71 1.564 -2.749 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.736 -4.347 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.451 -4.671 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.188 -5.716 0.352 1.00 0.00 H new ATOM 856 N ASP A 72 -0.551 -5.036 2.087 1.00 0.00 N ATOM 857 CA ASP A 72 -1.910 -5.173 2.684 1.00 0.00 C ATOM 858 C ASP A 72 -2.009 -4.331 3.958 1.00 0.00 C ATOM 859 O ASP A 72 -2.959 -3.600 4.152 1.00 0.00 O ATOM 860 CB ASP A 72 -2.060 -6.660 3.008 1.00 0.00 C ATOM 861 CG ASP A 72 -3.482 -7.113 2.672 1.00 0.00 C ATOM 862 OD1 ASP A 72 -3.820 -7.115 1.500 1.00 0.00 O ATOM 863 OD2 ASP A 72 -4.208 -7.450 3.593 1.00 0.00 O ATOM 0 H ASP A 72 -0.088 -5.914 1.854 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.694 -4.827 2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.337 -7.242 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.850 -6.836 4.063 1.00 0.00 H new ATOM 868 N LYS A 73 -1.037 -4.427 4.827 1.00 0.00 N ATOM 869 CA LYS A 73 -1.093 -3.626 6.083 1.00 0.00 C ATOM 870 C LYS A 73 -1.556 -2.199 5.776 1.00 0.00 C ATOM 871 O LYS A 73 -2.205 -1.558 6.581 1.00 0.00 O ATOM 872 CB LYS A 73 0.338 -3.623 6.617 1.00 0.00 C ATOM 873 CG LYS A 73 0.391 -2.831 7.925 1.00 0.00 C ATOM 874 CD LYS A 73 -0.122 -3.705 9.073 1.00 0.00 C ATOM 875 CE LYS A 73 -1.625 -3.474 9.262 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.893 -3.824 10.685 1.00 0.00 N ATOM 0 H LYS A 73 -0.214 -5.020 4.722 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.795 -4.040 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.678 -4.645 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.011 -3.179 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.413 -2.510 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.216 -1.929 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.070 -4.756 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.412 -3.465 9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.895 -2.439 9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.208 -4.098 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.904 -3.691 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.633 -4.817 10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.329 -3.209 11.306 1.00 0.00 H new ATOM 890 N ILE A 74 -1.237 -1.697 4.612 1.00 0.00 N ATOM 891 CA ILE A 74 -1.672 -0.317 4.261 1.00 0.00 C ATOM 892 C ILE A 74 -3.164 -0.328 3.917 1.00 0.00 C ATOM 893 O ILE A 74 -3.934 0.465 4.419 1.00 0.00 O ATOM 894 CB ILE A 74 -0.802 0.094 3.056 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.417 1.568 3.196 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.553 -0.101 1.729 1.00 0.00 C ATOM 897 CD1 ILE A 74 -1.686 2.405 3.360 1.00 0.00 C ATOM 0 H ILE A 74 -0.697 -2.181 3.894 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.547 0.392 5.079 1.00 0.00 H new ATOM 0 HB ILE A 74 0.086 -0.538 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.237 1.705 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.139 1.896 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.911 0.198 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.826 -1.150 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.455 0.511 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.418 3.457 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.323 2.275 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.223 2.081 4.252 1.00 0.00 H new ATOM 909 N LEU A 75 -3.575 -1.230 3.068 1.00 0.00 N ATOM 910 CA LEU A 75 -5.017 -1.294 2.704 1.00 0.00 C ATOM 911 C LEU A 75 -5.852 -1.526 3.964 1.00 0.00 C ATOM 912 O LEU A 75 -7.034 -1.245 4.000 1.00 0.00 O ATOM 913 CB LEU A 75 -5.133 -2.480 1.745 1.00 0.00 C ATOM 914 CG LEU A 75 -4.460 -2.129 0.416 1.00 0.00 C ATOM 915 CD1 LEU A 75 -3.984 -3.411 -0.269 1.00 0.00 C ATOM 916 CD2 LEU A 75 -5.467 -1.411 -0.488 1.00 0.00 C ATOM 0 H LEU A 75 -2.978 -1.921 2.614 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.378 -0.374 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.663 -3.361 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.182 -2.727 1.580 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.606 -1.478 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.505 -3.161 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.270 -3.924 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.838 -4.062 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.991 -1.160 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.320 -2.064 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.808 -0.498 0.000 1.00 0.00 H new ATOM 928 N ALA A 76 -5.242 -2.030 5.002 1.00 0.00 N ATOM 929 CA ALA A 76 -5.995 -2.270 6.263 1.00 0.00 C ATOM 930 C ALA A 76 -6.344 -0.930 6.911 1.00 0.00 C ATOM 931 O ALA A 76 -7.495 -0.625 7.155 1.00 0.00 O ATOM 932 CB ALA A 76 -5.042 -3.061 7.158 1.00 0.00 C ATOM 0 H ALA A 76 -4.255 -2.285 5.030 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.928 -2.808 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.530 -3.275 8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.775 -3.997 6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.140 -2.475 7.337 1.00 0.00 H new ATOM 938 N GLU A 77 -5.356 -0.121 7.184 1.00 0.00 N ATOM 939 CA GLU A 77 -5.633 1.203 7.806 1.00 0.00 C ATOM 940 C GLU A 77 -6.282 2.135 6.777 1.00 0.00 C ATOM 941 O GLU A 77 -7.252 2.810 7.058 1.00 0.00 O ATOM 942 CB GLU A 77 -4.266 1.734 8.243 1.00 0.00 C ATOM 943 CG GLU A 77 -3.644 0.771 9.257 1.00 0.00 C ATOM 944 CD GLU A 77 -3.969 1.243 10.675 1.00 0.00 C ATOM 945 OE1 GLU A 77 -3.733 2.406 10.962 1.00 0.00 O ATOM 946 OE2 GLU A 77 -4.444 0.433 11.454 1.00 0.00 O ATOM 0 H GLU A 77 -4.372 -0.320 7.003 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.321 1.134 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.612 1.840 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.373 2.725 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.029 -0.237 9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.564 0.725 9.116 1.00 0.00 H new ATOM 953 N ALA A 78 -5.761 2.170 5.582 1.00 0.00 N ATOM 954 CA ALA A 78 -6.357 3.055 4.539 1.00 0.00 C ATOM 955 C ALA A 78 -7.862 2.798 4.436 1.00 0.00 C ATOM 956 O ALA A 78 -8.637 3.693 4.169 1.00 0.00 O ATOM 957 CB ALA A 78 -5.662 2.667 3.234 1.00 0.00 C ATOM 0 H ALA A 78 -4.951 1.627 5.282 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.222 4.112 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.050 3.278 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.589 2.831 3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.851 1.615 3.020 1.00 0.00 H new ATOM 963 N ALA A 79 -8.280 1.579 4.642 1.00 0.00 N ATOM 964 CA ALA A 79 -9.735 1.265 4.553 1.00 0.00 C ATOM 965 C ALA A 79 -10.481 1.843 5.760 1.00 0.00 C ATOM 966 O ALA A 79 -11.591 2.325 5.641 1.00 0.00 O ATOM 967 CB ALA A 79 -9.811 -0.262 4.555 1.00 0.00 C ATOM 0 H ALA A 79 -7.678 0.787 4.868 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.195 1.696 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.853 -0.575 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.262 -0.655 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.372 -0.647 5.476 1.00 0.00 H new ATOM 973 N LYS A 80 -9.884 1.797 6.919 1.00 0.00 N ATOM 974 CA LYS A 80 -10.566 2.341 8.130 1.00 0.00 C ATOM 975 C LYS A 80 -9.884 3.630 8.594 1.00 0.00 C ATOM 976 O LYS A 80 -9.842 3.930 9.770 1.00 0.00 O ATOM 977 CB LYS A 80 -10.422 1.247 9.188 1.00 0.00 C ATOM 978 CG LYS A 80 -11.524 1.404 10.238 1.00 0.00 C ATOM 979 CD LYS A 80 -12.562 0.295 10.057 1.00 0.00 C ATOM 980 CE LYS A 80 -12.167 -0.917 10.904 1.00 0.00 C ATOM 981 NZ LYS A 80 -13.214 -1.006 11.959 1.00 0.00 N ATOM 0 H LYS A 80 -8.955 1.407 7.081 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.610 2.590 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.487 0.264 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.442 1.311 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.096 1.357 11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.998 2.380 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.548 0.653 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.628 0.012 9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.134 -1.825 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.177 -0.788 11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.012 -1.815 12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.217 -0.130 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.145 -1.135 11.514 1.00 0.00 H new ATOM 995 N LEU A 81 -9.350 4.395 7.682 1.00 0.00 N ATOM 996 CA LEU A 81 -8.675 5.664 8.082 1.00 0.00 C ATOM 997 C LEU A 81 -8.815 6.722 6.981 1.00 0.00 C ATOM 998 O LEU A 81 -8.933 7.901 7.254 1.00 0.00 O ATOM 999 CB LEU A 81 -7.208 5.285 8.284 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.606 6.145 9.396 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -6.748 7.623 9.034 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -7.344 5.868 10.708 1.00 0.00 C ATOM 0 H LEU A 81 -9.351 4.198 6.681 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.114 6.095 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.127 4.229 8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.653 5.430 7.357 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.550 5.901 9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.319 8.235 9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.224 7.821 8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.803 7.869 8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.916 6.480 11.502 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.400 6.112 10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.242 4.814 10.967 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.804 6.317 5.739 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.942 7.308 4.633 1.00 0.00 C ATOM 1016 C VAL A 82 -10.412 7.705 4.438 1.00 0.00 C ATOM 1017 O VAL A 82 -10.714 8.870 4.269 1.00 0.00 O ATOM 1018 CB VAL A 82 -8.402 6.603 3.389 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -8.818 7.383 2.140 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.875 6.538 3.461 1.00 0.00 C ATOM 0 H VAL A 82 -8.706 5.346 5.443 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.399 8.229 4.845 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.808 5.593 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.433 6.881 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.906 7.431 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.412 8.393 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.490 6.035 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.470 7.549 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.576 5.984 4.351 1.00 0.00 H new