USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 483 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 Single : A 9 TYR OH : rot 180:sc= -0.601 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.944 K(o=-0.94,f=-0.19) USER MOD Single : A 33 THR OG1 : rot 152:sc= -1.59 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 66 ASN : amide:sc= 0.107 X(o=0.11,f=0) USER MOD Single : A 67 MET CE :methyl 158:sc= -8.3! (180deg=-10!) USER MOD Single : A 68 ASN : amide:sc= -3.51! X(o=-3.5!,f=-3) USER MOD Single : A 70 SER OG : rot 127:sc= 0.493 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 7 1.161 10.123 -0.939 1.00 0.00 N ATOM 96 CA VAL A 7 1.524 8.773 -0.544 1.00 0.00 C ATOM 97 C VAL A 7 0.599 8.240 0.546 1.00 0.00 C ATOM 98 O VAL A 7 0.305 8.933 1.519 1.00 0.00 O ATOM 99 CB VAL A 7 2.979 8.701 -0.044 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.955 8.803 -1.206 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.257 9.776 0.998 1.00 0.00 C ATOM 0 HA VAL A 7 1.421 8.154 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 7 3.121 7.732 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.976 8.750 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.781 7.981 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.808 9.751 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.292 9.700 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.088 10.760 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.590 9.639 1.849 1.00 0.00 H new ATOM 111 N LEU A 8 0.147 6.998 0.373 1.00 0.00 N ATOM 112 CA LEU A 8 -0.744 6.360 1.338 1.00 0.00 C ATOM 113 C LEU A 8 -0.097 5.119 1.942 1.00 0.00 C ATOM 114 O LEU A 8 0.838 4.559 1.376 1.00 0.00 O ATOM 115 CB LEU A 8 -2.065 5.973 0.673 1.00 0.00 C ATOM 116 CG LEU A 8 -2.618 6.994 -0.320 1.00 0.00 C ATOM 117 CD1 LEU A 8 -3.865 6.447 -1.007 1.00 0.00 C ATOM 118 CD2 LEU A 8 -2.913 8.315 0.381 1.00 0.00 C ATOM 0 H LEU A 8 0.385 6.414 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.938 7.078 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.928 5.024 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.810 5.807 1.451 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.865 7.180 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.246 7.186 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.613 5.532 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.628 6.231 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.306 9.030 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.649 8.153 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.995 8.708 0.818 1.00 0.00 H new ATOM 130 N TYR A 9 -0.611 4.690 3.092 1.00 0.00 N ATOM 131 CA TYR A 9 -0.090 3.506 3.773 1.00 0.00 C ATOM 132 C TYR A 9 -1.133 2.396 3.794 1.00 0.00 C ATOM 133 O TYR A 9 -2.298 2.641 4.082 1.00 0.00 O ATOM 134 CB TYR A 9 0.318 3.849 5.209 1.00 0.00 C ATOM 135 CG TYR A 9 1.141 2.769 5.881 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.625 1.496 6.095 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.444 3.022 6.293 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.380 0.510 6.698 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.205 2.042 6.899 1.00 0.00 C ATOM 140 CZ TYR A 9 2.670 0.787 7.099 1.00 0.00 C ATOM 141 OH TYR A 9 3.427 -0.193 7.701 1.00 0.00 O ATOM 0 H TYR A 9 -1.388 5.144 3.572 1.00 0.00 H new ATOM 0 HA TYR A 9 0.786 3.161 3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.888 4.778 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.580 4.030 5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.385 1.274 5.784 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.869 4.002 6.136 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.962 -0.474 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.215 2.258 7.215 1.00 0.00 H new ATOM 0 HH TYR A 9 4.312 0.166 7.921 1.00 0.00 H new ATOM 151 N VAL A 10 -0.703 1.168 3.515 1.00 0.00 N ATOM 152 CA VAL A 10 -1.608 0.020 3.528 1.00 0.00 C ATOM 153 C VAL A 10 -1.301 -0.864 4.735 1.00 0.00 C ATOM 154 O VAL A 10 -0.162 -1.293 4.922 1.00 0.00 O ATOM 155 CB VAL A 10 -1.490 -0.817 2.238 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.524 -1.935 2.229 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.643 0.067 1.008 1.00 0.00 C ATOM 0 H VAL A 10 0.263 0.942 3.278 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.627 0.402 3.591 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.498 -1.268 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.425 -2.515 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.363 -2.586 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.525 -1.506 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.557 -0.543 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.620 0.550 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.862 0.828 1.007 1.00 0.00 H new ATOM 167 N GLY A 11 -2.312 -1.112 5.570 1.00 0.00 N ATOM 168 CA GLY A 11 -2.100 -1.918 6.761 1.00 0.00 C ATOM 169 C GLY A 11 -3.034 -3.111 6.871 1.00 0.00 C ATOM 170 O GLY A 11 -4.251 -2.951 6.967 1.00 0.00 O ATOM 0 H GLY A 11 -3.265 -0.772 5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.070 -2.274 6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.226 -1.288 7.641 1.00 0.00 H new ATOM 174 N GLY A 12 -2.455 -4.308 6.855 1.00 0.00 N ATOM 175 CA GLY A 12 -3.236 -5.526 6.953 1.00 0.00 C ATOM 176 C GLY A 12 -3.058 -6.376 5.720 1.00 0.00 C ATOM 177 O GLY A 12 -4.018 -6.920 5.176 1.00 0.00 O ATOM 0 H GLY A 12 -1.449 -4.455 6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.931 -6.089 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.290 -5.279 7.081 1.00 0.00 H new ATOM 181 N LEU A 13 -1.814 -6.456 5.268 1.00 0.00 N ATOM 182 CA LEU A 13 -1.477 -7.200 4.071 1.00 0.00 C ATOM 183 C LEU A 13 -0.947 -8.596 4.385 1.00 0.00 C ATOM 184 O LEU A 13 -0.855 -9.003 5.543 1.00 0.00 O ATOM 185 CB LEU A 13 -0.403 -6.441 3.295 1.00 0.00 C ATOM 186 CG LEU A 13 -0.831 -5.112 2.668 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.379 -4.341 2.151 1.00 0.00 C ATOM 188 CD2 LEU A 13 -1.834 -5.354 1.546 1.00 0.00 C ATOM 0 H LEU A 13 -1.017 -6.008 5.721 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.391 -7.307 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.433 -6.249 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.031 -7.090 2.502 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.311 -4.508 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.050 -3.400 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.060 -4.136 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.894 -4.935 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.129 -4.400 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.377 -5.978 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.714 -5.857 1.947 1.00 0.00 H new ATOM 200 N ALA A 14 -0.574 -9.302 3.325 1.00 0.00 N ATOM 201 CA ALA A 14 -0.013 -10.638 3.433 1.00 0.00 C ATOM 202 C ALA A 14 1.275 -10.719 2.616 1.00 0.00 C ATOM 203 O ALA A 14 1.761 -9.706 2.116 1.00 0.00 O ATOM 204 CB ALA A 14 -1.018 -11.674 2.963 1.00 0.00 C ATOM 0 H ALA A 14 -0.653 -8.962 2.367 1.00 0.00 H new ATOM 0 HA ALA A 14 0.220 -10.847 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.582 -12.669 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.916 -11.616 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.279 -11.482 1.922 1.00 0.00 H new ATOM 210 N GLU A 15 1.827 -11.916 2.484 1.00 0.00 N ATOM 211 CA GLU A 15 3.061 -12.102 1.725 1.00 0.00 C ATOM 212 C GLU A 15 2.787 -12.208 0.223 1.00 0.00 C ATOM 213 O GLU A 15 3.704 -12.434 -0.566 1.00 0.00 O ATOM 214 CB GLU A 15 3.786 -13.362 2.207 1.00 0.00 C ATOM 215 CG GLU A 15 4.839 -13.093 3.268 1.00 0.00 C ATOM 216 CD GLU A 15 5.681 -14.317 3.567 1.00 0.00 C ATOM 217 OE1 GLU A 15 5.197 -15.442 3.323 1.00 0.00 O ATOM 218 OE2 GLU A 15 6.824 -14.151 4.043 1.00 0.00 O ATOM 0 H GLU A 15 1.445 -12.771 2.889 1.00 0.00 H new ATOM 0 HA GLU A 15 3.690 -11.228 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.052 -14.063 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.259 -13.847 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.487 -12.282 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.352 -12.758 4.183 1.00 0.00 H new ATOM 225 N GLU A 16 1.521 -12.059 -0.167 1.00 0.00 N ATOM 226 CA GLU A 16 1.134 -12.157 -1.573 1.00 0.00 C ATOM 227 C GLU A 16 1.050 -10.783 -2.234 1.00 0.00 C ATOM 228 O GLU A 16 1.271 -10.652 -3.439 1.00 0.00 O ATOM 229 CB GLU A 16 -0.218 -12.870 -1.703 1.00 0.00 C ATOM 230 CG GLU A 16 -0.628 -13.640 -0.459 1.00 0.00 C ATOM 231 CD GLU A 16 -1.686 -14.688 -0.745 1.00 0.00 C ATOM 232 OE1 GLU A 16 -1.736 -15.184 -1.889 1.00 0.00 O ATOM 233 OE2 GLU A 16 -2.463 -15.012 0.177 1.00 0.00 O ATOM 0 H GLU A 16 0.747 -11.870 0.471 1.00 0.00 H new ATOM 0 HA GLU A 16 1.905 -12.734 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.987 -12.132 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.175 -13.558 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.250 -14.123 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.006 -12.942 0.288 1.00 0.00 H new ATOM 240 N VAL A 17 0.711 -9.766 -1.449 1.00 0.00 N ATOM 241 CA VAL A 17 0.580 -8.416 -1.962 1.00 0.00 C ATOM 242 C VAL A 17 1.921 -7.828 -2.364 1.00 0.00 C ATOM 243 O VAL A 17 2.944 -8.045 -1.714 1.00 0.00 O ATOM 244 CB VAL A 17 -0.086 -7.485 -0.931 1.00 0.00 C ATOM 245 CG1 VAL A 17 0.775 -7.372 0.317 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.358 -6.109 -1.533 1.00 0.00 C ATOM 0 H VAL A 17 0.522 -9.857 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.052 -8.487 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.045 -7.919 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.290 -6.711 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.903 -8.359 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.750 -6.965 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.828 -5.471 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.582 -5.660 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.022 -6.212 -2.391 1.00 0.00 H new ATOM 256 N ASP A 18 1.888 -7.078 -3.445 1.00 0.00 N ATOM 257 CA ASP A 18 3.072 -6.425 -3.977 1.00 0.00 C ATOM 258 C ASP A 18 2.679 -5.200 -4.793 1.00 0.00 C ATOM 259 O ASP A 18 1.498 -4.931 -5.010 1.00 0.00 O ATOM 260 CB ASP A 18 3.876 -7.395 -4.841 1.00 0.00 C ATOM 261 CG ASP A 18 4.744 -8.326 -4.017 1.00 0.00 C ATOM 262 OD1 ASP A 18 5.767 -7.859 -3.474 1.00 0.00 O ATOM 263 OD2 ASP A 18 4.401 -9.523 -3.919 1.00 0.00 O ATOM 0 H ASP A 18 1.039 -6.902 -3.983 1.00 0.00 H new ATOM 0 HA ASP A 18 3.694 -6.106 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.192 -7.986 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.506 -6.829 -5.527 1.00 0.00 H new ATOM 268 N ASP A 19 3.678 -4.463 -5.247 1.00 0.00 N ATOM 269 CA ASP A 19 3.444 -3.266 -6.040 1.00 0.00 C ATOM 270 C ASP A 19 2.635 -3.592 -7.288 1.00 0.00 C ATOM 271 O ASP A 19 1.892 -2.756 -7.792 1.00 0.00 O ATOM 272 CB ASP A 19 4.776 -2.617 -6.429 1.00 0.00 C ATOM 273 CG ASP A 19 5.680 -3.564 -7.193 1.00 0.00 C ATOM 274 OD1 ASP A 19 6.350 -4.396 -6.547 1.00 0.00 O ATOM 275 OD2 ASP A 19 5.717 -3.475 -8.439 1.00 0.00 O ATOM 0 H ASP A 19 4.662 -4.672 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 19 2.872 -2.563 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.582 -1.734 -7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.288 -2.278 -5.529 1.00 0.00 H new ATOM 280 N LYS A 20 2.798 -4.813 -7.781 1.00 0.00 N ATOM 281 CA LYS A 20 2.100 -5.264 -8.978 1.00 0.00 C ATOM 282 C LYS A 20 0.596 -5.352 -8.736 1.00 0.00 C ATOM 283 O LYS A 20 -0.203 -4.870 -9.539 1.00 0.00 O ATOM 284 CB LYS A 20 2.681 -6.624 -9.416 1.00 0.00 C ATOM 285 CG LYS A 20 1.758 -7.830 -9.232 1.00 0.00 C ATOM 286 CD LYS A 20 2.548 -9.125 -9.105 1.00 0.00 C ATOM 287 CE LYS A 20 2.599 -9.603 -7.661 1.00 0.00 C ATOM 288 NZ LYS A 20 3.232 -10.945 -7.535 1.00 0.00 N ATOM 0 H LYS A 20 3.413 -5.514 -7.366 1.00 0.00 H new ATOM 0 HA LYS A 20 2.249 -4.540 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.957 -6.558 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.599 -6.803 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.145 -7.688 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.077 -7.900 -10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.092 -9.894 -9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.562 -8.973 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.155 -8.883 -7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.588 -9.641 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.245 -11.230 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.687 -11.639 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.206 -10.905 -7.896 1.00 0.00 H new ATOM 302 N VAL A 21 0.222 -5.968 -7.624 1.00 0.00 N ATOM 303 CA VAL A 21 -1.183 -6.117 -7.267 1.00 0.00 C ATOM 304 C VAL A 21 -1.766 -4.784 -6.838 1.00 0.00 C ATOM 305 O VAL A 21 -2.862 -4.408 -7.247 1.00 0.00 O ATOM 306 CB VAL A 21 -1.396 -7.175 -6.159 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.275 -6.564 -4.773 1.00 0.00 C ATOM 308 CG2 VAL A 21 -2.746 -7.856 -6.331 1.00 0.00 C ATOM 0 H VAL A 21 0.873 -6.374 -6.952 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.705 -6.468 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.610 -7.924 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.431 -7.337 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.281 -6.133 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.026 -5.784 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.882 -8.598 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.540 -7.111 -6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.785 -8.347 -7.303 1.00 0.00 H new ATOM 318 N LEU A 22 -1.010 -4.073 -6.010 1.00 0.00 N ATOM 319 CA LEU A 22 -1.434 -2.775 -5.520 1.00 0.00 C ATOM 320 C LEU A 22 -1.631 -1.831 -6.688 1.00 0.00 C ATOM 321 O LEU A 22 -2.546 -1.010 -6.689 1.00 0.00 O ATOM 322 CB LEU A 22 -0.402 -2.205 -4.548 1.00 0.00 C ATOM 323 CG LEU A 22 -0.343 -2.914 -3.190 1.00 0.00 C ATOM 324 CD1 LEU A 22 1.088 -3.300 -2.829 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.941 -2.042 -2.103 1.00 0.00 C ATOM 0 H LEU A 22 -0.099 -4.377 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.378 -2.889 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.583 -2.257 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.622 -1.150 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.932 -3.828 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.097 -3.801 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.486 -3.972 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.705 -2.403 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.889 -2.564 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.382 -1.108 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.982 -1.826 -2.342 1.00 0.00 H new ATOM 337 N HIS A 23 -0.777 -1.970 -7.694 1.00 0.00 N ATOM 338 CA HIS A 23 -0.876 -1.142 -8.882 1.00 0.00 C ATOM 339 C HIS A 23 -2.238 -1.335 -9.536 1.00 0.00 C ATOM 340 O HIS A 23 -2.983 -0.383 -9.744 1.00 0.00 O ATOM 341 CB HIS A 23 0.228 -1.519 -9.875 1.00 0.00 C ATOM 342 CG HIS A 23 1.198 -0.409 -10.148 1.00 0.00 C ATOM 343 ND1 HIS A 23 2.565 -0.572 -10.092 1.00 0.00 N ATOM 344 CD2 HIS A 23 0.988 0.885 -10.489 1.00 0.00 C ATOM 345 CE1 HIS A 23 3.155 0.576 -10.382 1.00 0.00 C ATOM 346 NE2 HIS A 23 2.220 1.474 -10.628 1.00 0.00 N ATOM 0 H HIS A 23 -0.013 -2.645 -7.709 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.759 -0.097 -8.595 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.774 -2.380 -9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.231 -1.828 -10.814 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.030 1.364 -10.626 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.221 0.749 -10.412 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.386 2.448 -10.881 1.00 0.00 H new ATOM 355 N ALA A 24 -2.549 -2.587 -9.844 1.00 0.00 N ATOM 356 CA ALA A 24 -3.815 -2.947 -10.471 1.00 0.00 C ATOM 357 C ALA A 24 -5.008 -2.729 -9.540 1.00 0.00 C ATOM 358 O ALA A 24 -6.083 -2.322 -9.980 1.00 0.00 O ATOM 359 CB ALA A 24 -3.767 -4.395 -10.941 1.00 0.00 C ATOM 0 H ALA A 24 -1.933 -3.380 -9.667 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.955 -2.288 -11.328 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.716 -4.657 -11.408 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.960 -4.516 -11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.590 -5.049 -10.087 1.00 0.00 H new ATOM 365 N ALA A 25 -4.825 -3.033 -8.258 1.00 0.00 N ATOM 366 CA ALA A 25 -5.902 -2.901 -7.281 1.00 0.00 C ATOM 367 C ALA A 25 -6.199 -1.452 -6.924 1.00 0.00 C ATOM 368 O ALA A 25 -7.347 -1.100 -6.658 1.00 0.00 O ATOM 369 CB ALA A 25 -5.574 -3.686 -6.019 1.00 0.00 C ATOM 0 H ALA A 25 -3.944 -3.372 -7.872 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.798 -3.310 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.387 -3.577 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.449 -4.740 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.651 -3.304 -5.583 1.00 0.00 H new ATOM 375 N PHE A 26 -5.173 -0.617 -6.889 1.00 0.00 N ATOM 376 CA PHE A 26 -5.368 0.778 -6.525 1.00 0.00 C ATOM 377 C PHE A 26 -5.493 1.688 -7.746 1.00 0.00 C ATOM 378 O PHE A 26 -5.844 2.860 -7.613 1.00 0.00 O ATOM 379 CB PHE A 26 -4.236 1.240 -5.614 1.00 0.00 C ATOM 380 CG PHE A 26 -4.260 0.578 -4.264 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.129 -0.801 -4.144 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.408 1.336 -3.113 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.148 -1.403 -2.901 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.426 0.736 -1.869 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.295 -0.634 -1.763 1.00 0.00 C ATOM 0 H PHE A 26 -4.210 -0.875 -7.105 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.313 0.850 -5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.281 1.033 -6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.300 2.320 -5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.011 -1.407 -5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.510 2.408 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.048 -2.475 -2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.542 1.338 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.307 -1.104 -0.791 1.00 0.00 H new ATOM 395 N ILE A 27 -5.212 1.155 -8.935 1.00 0.00 N ATOM 396 CA ILE A 27 -5.312 1.950 -10.153 1.00 0.00 C ATOM 397 C ILE A 27 -6.742 2.455 -10.377 1.00 0.00 C ATOM 398 O ILE A 27 -6.927 3.604 -10.780 1.00 0.00 O ATOM 399 CB ILE A 27 -4.783 1.191 -11.398 1.00 0.00 C ATOM 400 CG1 ILE A 27 -4.280 2.185 -12.442 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.821 0.264 -12.003 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.820 2.533 -12.265 1.00 0.00 C ATOM 0 H ILE A 27 -4.917 0.189 -9.078 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.668 2.818 -10.013 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.957 0.562 -11.066 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.431 1.767 -13.437 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.875 3.096 -12.386 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.396 -0.241 -12.871 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.122 -0.478 -11.263 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.691 0.844 -12.310 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.519 3.243 -13.035 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.669 2.979 -11.282 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.218 1.629 -12.350 1.00 0.00 H new ATOM 414 N PRO A 28 -7.791 1.635 -10.107 1.00 0.00 N ATOM 415 CA PRO A 28 -9.174 2.085 -10.283 1.00 0.00 C ATOM 416 C PRO A 28 -9.472 3.278 -9.390 1.00 0.00 C ATOM 417 O PRO A 28 -10.102 4.248 -9.814 1.00 0.00 O ATOM 418 CB PRO A 28 -10.018 0.874 -9.868 1.00 0.00 C ATOM 419 CG PRO A 28 -9.109 0.043 -9.032 1.00 0.00 C ATOM 420 CD PRO A 28 -7.735 0.248 -9.600 1.00 0.00 C ATOM 0 HA PRO A 28 -9.380 2.410 -11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.901 1.181 -9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.370 0.321 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.150 0.348 -7.986 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.395 -1.008 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.962 0.126 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.516 -0.464 -10.395 1.00 0.00 H new ATOM 428 N PHE A 29 -8.987 3.210 -8.153 1.00 0.00 N ATOM 429 CA PHE A 29 -9.175 4.299 -7.203 1.00 0.00 C ATOM 430 C PHE A 29 -8.371 5.512 -7.655 1.00 0.00 C ATOM 431 O PHE A 29 -8.704 6.652 -7.330 1.00 0.00 O ATOM 432 CB PHE A 29 -8.729 3.881 -5.797 1.00 0.00 C ATOM 433 CG PHE A 29 -9.067 2.461 -5.436 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.298 1.919 -5.774 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.154 1.669 -4.755 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.612 0.615 -5.440 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.463 0.364 -4.419 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.694 -0.165 -4.763 1.00 0.00 C ATOM 0 H PHE A 29 -8.463 2.415 -7.787 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.235 4.550 -7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.651 4.017 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.191 4.548 -5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.020 2.523 -6.304 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.191 2.076 -4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.575 0.206 -5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.744 -0.242 -3.888 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.937 -1.185 -4.503 1.00 0.00 H new ATOM 448 N GLY A 30 -7.305 5.249 -8.407 1.00 0.00 N ATOM 449 CA GLY A 30 -6.452 6.306 -8.901 1.00 0.00 C ATOM 450 C GLY A 30 -5.138 5.754 -9.410 1.00 0.00 C ATOM 451 O GLY A 30 -4.506 4.934 -8.744 1.00 0.00 O ATOM 0 H GLY A 30 -7.018 4.310 -8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.960 6.842 -9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.263 7.027 -8.105 1.00 0.00 H new ATOM 455 N ASP A 31 -4.736 6.178 -10.599 1.00 0.00 N ATOM 456 CA ASP A 31 -3.504 5.693 -11.200 1.00 0.00 C ATOM 457 C ASP A 31 -2.305 5.926 -10.297 1.00 0.00 C ATOM 458 O ASP A 31 -1.864 7.058 -10.091 1.00 0.00 O ATOM 459 CB ASP A 31 -3.268 6.341 -12.561 1.00 0.00 C ATOM 460 CG ASP A 31 -4.532 6.426 -13.394 1.00 0.00 C ATOM 461 OD1 ASP A 31 -4.852 5.439 -14.088 1.00 0.00 O ATOM 462 OD2 ASP A 31 -5.202 7.480 -13.352 1.00 0.00 O ATOM 0 H ASP A 31 -5.245 6.856 -11.166 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.618 4.618 -11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.864 7.343 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.516 5.770 -13.106 1.00 0.00 H new ATOM 467 N ILE A 32 -1.783 4.829 -9.773 1.00 0.00 N ATOM 468 CA ILE A 32 -0.626 4.864 -8.895 1.00 0.00 C ATOM 469 C ILE A 32 0.605 5.367 -9.639 1.00 0.00 C ATOM 470 O ILE A 32 0.734 5.177 -10.849 1.00 0.00 O ATOM 471 CB ILE A 32 -0.340 3.455 -8.339 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.557 2.934 -7.578 1.00 0.00 C ATOM 473 CG2 ILE A 32 0.897 3.430 -7.450 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.310 1.860 -8.327 1.00 0.00 C ATOM 0 H ILE A 32 -2.148 3.892 -9.944 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.847 5.546 -8.074 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.139 2.801 -9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.234 2.538 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.231 3.765 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.060 2.417 -7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.765 3.750 -8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.752 4.105 -6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.163 1.532 -7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.662 2.259 -9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.649 1.013 -8.511 1.00 0.00 H new ATOM 486 N THR A 33 1.509 5.998 -8.904 1.00 0.00 N ATOM 487 CA THR A 33 2.739 6.521 -9.479 1.00 0.00 C ATOM 488 C THR A 33 3.943 5.805 -8.906 1.00 0.00 C ATOM 489 O THR A 33 4.938 5.590 -9.600 1.00 0.00 O ATOM 490 CB THR A 33 2.863 8.011 -9.208 1.00 0.00 C ATOM 491 OG1 THR A 33 1.634 8.549 -8.755 1.00 0.00 O ATOM 492 CG2 THR A 33 3.299 8.811 -10.419 1.00 0.00 C ATOM 0 H THR A 33 1.412 6.161 -7.902 1.00 0.00 H new ATOM 0 HA THR A 33 2.703 6.354 -10.555 1.00 0.00 H new ATOM 0 HB THR A 33 3.634 8.096 -8.442 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.808 9.325 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.367 9.866 -10.153 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.274 8.459 -10.756 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.571 8.685 -11.220 1.00 0.00 H new ATOM 500 N ASP A 34 3.856 5.440 -7.637 1.00 0.00 N ATOM 501 CA ASP A 34 4.953 4.753 -6.990 1.00 0.00 C ATOM 502 C ASP A 34 4.468 3.881 -5.836 1.00 0.00 C ATOM 503 O ASP A 34 3.507 4.215 -5.146 1.00 0.00 O ATOM 504 CB ASP A 34 5.990 5.762 -6.485 1.00 0.00 C ATOM 505 CG ASP A 34 7.129 5.958 -7.465 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.628 4.948 -8.006 1.00 0.00 O ATOM 507 OD2 ASP A 34 7.523 7.121 -7.694 1.00 0.00 O ATOM 0 H ASP A 34 3.044 5.607 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 34 5.416 4.102 -7.731 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.502 6.720 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.390 5.421 -5.530 1.00 0.00 H new ATOM 512 N ILE A 35 5.155 2.766 -5.623 1.00 0.00 N ATOM 513 CA ILE A 35 4.816 1.851 -4.542 1.00 0.00 C ATOM 514 C ILE A 35 6.089 1.302 -3.910 1.00 0.00 C ATOM 515 O ILE A 35 6.889 0.649 -4.578 1.00 0.00 O ATOM 516 CB ILE A 35 3.935 0.684 -5.030 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.732 1.216 -5.814 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.473 -0.157 -3.851 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.930 0.135 -6.509 1.00 0.00 C ATOM 0 H ILE A 35 5.953 2.473 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 35 4.245 2.413 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 35 4.527 0.054 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.078 1.760 -5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.082 1.931 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.852 -0.977 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.341 -0.561 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.894 0.463 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.095 0.588 -7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.569 -0.394 -7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.548 -0.568 -5.768 1.00 0.00 H new ATOM 531 N GLN A 36 6.280 1.584 -2.626 1.00 0.00 N ATOM 532 CA GLN A 36 7.472 1.130 -1.918 1.00 0.00 C ATOM 533 C GLN A 36 7.115 0.246 -0.728 1.00 0.00 C ATOM 534 O GLN A 36 6.285 0.612 0.105 1.00 0.00 O ATOM 535 CB GLN A 36 8.295 2.335 -1.453 1.00 0.00 C ATOM 536 CG GLN A 36 9.433 2.695 -2.395 1.00 0.00 C ATOM 537 CD GLN A 36 10.518 3.508 -1.715 1.00 0.00 C ATOM 538 OE1 GLN A 36 11.230 3.008 -0.846 1.00 0.00 O ATOM 539 NE2 GLN A 36 10.650 4.769 -2.111 1.00 0.00 N ATOM 0 H GLN A 36 5.628 2.123 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 36 8.065 0.532 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.635 3.196 -1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.705 2.125 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.868 1.781 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.036 3.259 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.037 5.143 -2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.364 5.364 -1.690 1.00 0.00 H new ATOM 548 N ILE A 37 7.761 -0.911 -0.653 1.00 0.00 N ATOM 549 CA ILE A 37 7.537 -1.852 0.437 1.00 0.00 C ATOM 550 C ILE A 37 8.841 -2.102 1.194 1.00 0.00 C ATOM 551 O ILE A 37 9.825 -2.549 0.606 1.00 0.00 O ATOM 552 CB ILE A 37 6.984 -3.196 -0.080 1.00 0.00 C ATOM 553 CG1 ILE A 37 5.786 -2.962 -1.009 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.593 -4.091 1.086 1.00 0.00 C ATOM 555 CD1 ILE A 37 5.892 -3.700 -2.326 1.00 0.00 C ATOM 0 H ILE A 37 8.449 -1.221 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 37 6.799 -1.409 1.106 1.00 0.00 H new ATOM 0 HB ILE A 37 7.766 -3.697 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.874 -3.273 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.692 -1.894 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.205 -5.036 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.468 -4.282 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.826 -3.597 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.012 -3.489 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.786 -3.371 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.955 -4.772 -2.138 1.00 0.00 H new ATOM 741 N GLY A 48 3.904 -7.110 5.888 1.00 0.00 N ATOM 742 CA GLY A 48 2.542 -7.019 5.405 1.00 0.00 C ATOM 743 C GLY A 48 2.064 -5.591 5.291 1.00 0.00 C ATOM 744 O GLY A 48 0.891 -5.313 5.533 1.00 0.00 O ATOM 0 HA2 GLY A 48 2.473 -7.501 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.883 -7.567 6.079 1.00 0.00 H new ATOM 748 N PHE A 49 2.962 -4.681 4.924 1.00 0.00 N ATOM 749 CA PHE A 49 2.597 -3.280 4.792 1.00 0.00 C ATOM 750 C PHE A 49 3.373 -2.614 3.665 1.00 0.00 C ATOM 751 O PHE A 49 4.496 -3.007 3.354 1.00 0.00 O ATOM 752 CB PHE A 49 2.856 -2.575 6.124 1.00 0.00 C ATOM 753 CG PHE A 49 2.355 -3.383 7.285 1.00 0.00 C ATOM 754 CD1 PHE A 49 1.025 -3.743 7.345 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.210 -3.818 8.282 1.00 0.00 C ATOM 756 CE1 PHE A 49 0.545 -4.519 8.374 1.00 0.00 C ATOM 757 CE2 PHE A 49 2.739 -4.599 9.321 1.00 0.00 C ATOM 758 CZ PHE A 49 1.402 -4.951 9.366 1.00 0.00 C ATOM 0 H PHE A 49 3.938 -4.889 4.715 1.00 0.00 H new ATOM 0 HA PHE A 49 1.539 -3.206 4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.925 -2.396 6.239 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.368 -1.600 6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.349 -3.410 6.571 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.254 -3.545 8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.500 -4.790 8.406 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.413 -4.933 10.096 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.030 -5.562 10.175 1.00 0.00 H new ATOM 768 N ALA A 50 2.761 -1.606 3.054 1.00 0.00 N ATOM 769 CA ALA A 50 3.397 -0.888 1.951 1.00 0.00 C ATOM 770 C ALA A 50 2.823 0.513 1.781 1.00 0.00 C ATOM 771 O ALA A 50 1.858 0.889 2.446 1.00 0.00 O ATOM 772 CB ALA A 50 3.250 -1.673 0.657 1.00 0.00 C ATOM 0 H ALA A 50 1.831 -1.267 3.300 1.00 0.00 H new ATOM 0 HA ALA A 50 4.455 -0.786 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.728 -1.127 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.724 -2.648 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.192 -1.807 0.431 1.00 0.00 H new ATOM 778 N PHE A 51 3.426 1.279 0.875 1.00 0.00 N ATOM 779 CA PHE A 51 2.984 2.641 0.596 1.00 0.00 C ATOM 780 C PHE A 51 2.548 2.780 -0.861 1.00 0.00 C ATOM 781 O PHE A 51 3.283 2.407 -1.774 1.00 0.00 O ATOM 782 CB PHE A 51 4.106 3.638 0.890 1.00 0.00 C ATOM 783 CG PHE A 51 4.435 3.771 2.349 1.00 0.00 C ATOM 784 CD1 PHE A 51 5.017 2.721 3.040 1.00 0.00 C ATOM 785 CD2 PHE A 51 4.166 4.949 3.029 1.00 0.00 C ATOM 786 CE1 PHE A 51 5.327 2.842 4.381 1.00 0.00 C ATOM 787 CE2 PHE A 51 4.473 5.077 4.370 1.00 0.00 C ATOM 788 CZ PHE A 51 5.054 4.021 5.048 1.00 0.00 C ATOM 0 H PHE A 51 4.226 0.977 0.319 1.00 0.00 H new ATOM 0 HA PHE A 51 2.133 2.857 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.003 3.330 0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.821 4.616 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.231 1.797 2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.711 5.776 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.782 2.016 4.907 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.260 6.000 4.888 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.294 4.118 6.097 1.00 0.00 H new ATOM 798 N VAL A 52 1.355 3.326 -1.074 1.00 0.00 N ATOM 799 CA VAL A 52 0.829 3.521 -2.424 1.00 0.00 C ATOM 800 C VAL A 52 0.826 5.005 -2.789 1.00 0.00 C ATOM 801 O VAL A 52 0.323 5.834 -2.029 1.00 0.00 O ATOM 802 CB VAL A 52 -0.605 2.954 -2.560 1.00 0.00 C ATOM 803 CG1 VAL A 52 -0.967 2.732 -4.024 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.749 1.660 -1.766 1.00 0.00 C ATOM 0 H VAL A 52 0.733 3.642 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 52 1.482 2.980 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.299 3.687 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.979 2.333 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.913 3.680 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.268 2.024 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.764 1.278 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.041 0.922 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.545 1.855 -0.713 1.00 0.00 H new ATOM 814 N GLU A 53 1.390 5.342 -3.950 1.00 0.00 N ATOM 815 CA GLU A 53 1.448 6.727 -4.396 1.00 0.00 C ATOM 816 C GLU A 53 0.562 6.905 -5.618 1.00 0.00 C ATOM 817 O GLU A 53 0.556 6.063 -6.513 1.00 0.00 O ATOM 818 CB GLU A 53 2.900 7.123 -4.704 1.00 0.00 C ATOM 819 CG GLU A 53 3.047 8.380 -5.549 1.00 0.00 C ATOM 820 CD GLU A 53 3.932 9.427 -4.900 1.00 0.00 C ATOM 821 OE1 GLU A 53 5.163 9.376 -5.106 1.00 0.00 O ATOM 822 OE2 GLU A 53 3.392 10.301 -4.187 1.00 0.00 O ATOM 0 H GLU A 53 1.811 4.673 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 53 1.082 7.381 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.430 7.269 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.387 6.295 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.462 8.112 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.061 8.807 -5.731 1.00 0.00 H new ATOM 829 N PHE A 54 -0.199 7.989 -5.647 1.00 0.00 N ATOM 830 CA PHE A 54 -1.100 8.250 -6.755 1.00 0.00 C ATOM 831 C PHE A 54 -0.646 9.446 -7.571 1.00 0.00 C ATOM 832 O PHE A 54 0.079 10.314 -7.083 1.00 0.00 O ATOM 833 CB PHE A 54 -2.515 8.476 -6.230 1.00 0.00 C ATOM 834 CG PHE A 54 -3.185 7.212 -5.778 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.692 6.501 -4.698 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.301 6.735 -6.437 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.303 5.335 -4.284 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.920 5.568 -6.029 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.419 4.868 -4.949 1.00 0.00 C ATOM 0 H PHE A 54 -0.209 8.700 -4.916 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.092 7.379 -7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.479 9.179 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.116 8.939 -7.012 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.820 6.862 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.695 7.280 -7.282 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.908 4.788 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.792 5.205 -6.553 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.900 3.957 -4.625 1.00 0.00 H new ATOM 849 N GLU A 55 -1.095 9.485 -8.814 1.00 0.00 N ATOM 850 CA GLU A 55 -0.766 10.575 -9.716 1.00 0.00 C ATOM 851 C GLU A 55 -1.572 11.800 -9.328 1.00 0.00 C ATOM 852 O GLU A 55 -1.124 12.937 -9.473 1.00 0.00 O ATOM 853 CB GLU A 55 -1.073 10.178 -11.164 1.00 0.00 C ATOM 854 CG GLU A 55 -0.196 10.867 -12.194 1.00 0.00 C ATOM 855 CD GLU A 55 -0.667 10.617 -13.614 1.00 0.00 C ATOM 856 OE1 GLU A 55 -1.170 9.506 -13.883 1.00 0.00 O ATOM 857 OE2 GLU A 55 -0.533 11.531 -14.455 1.00 0.00 O ATOM 0 H GLU A 55 -1.693 8.768 -9.224 1.00 0.00 H new ATOM 0 HA GLU A 55 0.298 10.799 -9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.956 9.099 -11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.117 10.408 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.187 11.940 -12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.830 10.515 -12.087 1.00 0.00 H new ATOM 864 N LEU A 56 -2.776 11.542 -8.833 1.00 0.00 N ATOM 865 CA LEU A 56 -3.687 12.595 -8.413 1.00 0.00 C ATOM 866 C LEU A 56 -3.900 12.543 -6.901 1.00 0.00 C ATOM 867 O LEU A 56 -4.406 11.557 -6.369 1.00 0.00 O ATOM 868 CB LEU A 56 -5.021 12.431 -9.141 1.00 0.00 C ATOM 869 CG LEU A 56 -4.957 12.556 -10.663 1.00 0.00 C ATOM 870 CD1 LEU A 56 -6.316 12.250 -11.280 1.00 0.00 C ATOM 871 CD2 LEU A 56 -4.485 13.945 -11.065 1.00 0.00 C ATOM 0 H LEU A 56 -3.146 10.599 -8.712 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.255 13.564 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.434 11.454 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.717 13.179 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.238 11.829 -11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.253 12.344 -12.364 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.613 11.234 -11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.056 12.953 -10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.446 14.015 -12.152 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.179 14.691 -10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.492 14.125 -10.654 1.00 0.00 H new ATOM 883 N ALA A 57 -3.500 13.608 -6.212 1.00 0.00 N ATOM 884 CA ALA A 57 -3.640 13.683 -4.761 1.00 0.00 C ATOM 885 C ALA A 57 -5.060 13.345 -4.313 1.00 0.00 C ATOM 886 O ALA A 57 -5.256 12.622 -3.336 1.00 0.00 O ATOM 887 CB ALA A 57 -3.251 15.067 -4.266 1.00 0.00 C ATOM 0 H ALA A 57 -3.075 14.433 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.969 12.943 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.360 15.110 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.215 15.272 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.899 15.813 -4.725 1.00 0.00 H new ATOM 893 N GLU A 58 -6.047 13.876 -5.025 1.00 0.00 N ATOM 894 CA GLU A 58 -7.446 13.631 -4.689 1.00 0.00 C ATOM 895 C GLU A 58 -7.815 12.166 -4.903 1.00 0.00 C ATOM 896 O GLU A 58 -8.658 11.619 -4.192 1.00 0.00 O ATOM 897 CB GLU A 58 -8.363 14.525 -5.522 1.00 0.00 C ATOM 898 CG GLU A 58 -9.685 14.828 -4.840 1.00 0.00 C ATOM 899 CD GLU A 58 -10.367 16.059 -5.403 1.00 0.00 C ATOM 900 OE1 GLU A 58 -10.057 17.176 -4.934 1.00 0.00 O ATOM 901 OE2 GLU A 58 -11.210 15.909 -6.311 1.00 0.00 O ATOM 0 H GLU A 58 -5.906 14.478 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.580 13.870 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.849 15.462 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.558 14.042 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.349 13.970 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.514 14.969 -3.773 1.00 0.00 H new ATOM 908 N ASP A 59 -7.176 11.537 -5.880 1.00 0.00 N ATOM 909 CA ASP A 59 -7.434 10.136 -6.186 1.00 0.00 C ATOM 910 C ASP A 59 -7.099 9.254 -4.989 1.00 0.00 C ATOM 911 O ASP A 59 -7.784 8.268 -4.720 1.00 0.00 O ATOM 912 CB ASP A 59 -6.618 9.694 -7.399 1.00 0.00 C ATOM 913 CG ASP A 59 -7.444 9.637 -8.669 1.00 0.00 C ATOM 914 OD1 ASP A 59 -8.675 9.444 -8.572 1.00 0.00 O ATOM 915 OD2 ASP A 59 -6.860 9.783 -9.763 1.00 0.00 O ATOM 0 H ASP A 59 -6.474 11.976 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.494 10.030 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.785 10.383 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.189 8.711 -7.205 1.00 0.00 H new ATOM 920 N ALA A 60 -6.033 9.610 -4.282 1.00 0.00 N ATOM 921 CA ALA A 60 -5.597 8.845 -3.123 1.00 0.00 C ATOM 922 C ALA A 60 -6.711 8.758 -2.088 1.00 0.00 C ATOM 923 O ALA A 60 -6.953 7.697 -1.512 1.00 0.00 O ATOM 924 CB ALA A 60 -4.355 9.479 -2.520 1.00 0.00 C ATOM 0 H ALA A 60 -5.455 10.424 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.353 7.832 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.035 8.900 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.557 9.492 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.581 10.500 -2.212 1.00 0.00 H new ATOM 930 N ALA A 61 -7.410 9.868 -1.876 1.00 0.00 N ATOM 931 CA ALA A 61 -8.521 9.895 -0.931 1.00 0.00 C ATOM 932 C ALA A 61 -9.531 8.812 -1.286 1.00 0.00 C ATOM 933 O ALA A 61 -10.163 8.217 -0.413 1.00 0.00 O ATOM 934 CB ALA A 61 -9.187 11.263 -0.928 1.00 0.00 C ATOM 0 H ALA A 61 -7.229 10.757 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.135 9.702 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.013 11.264 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.459 12.021 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.566 11.485 -1.925 1.00 0.00 H new ATOM 940 N ALA A 62 -9.668 8.558 -2.584 1.00 0.00 N ATOM 941 CA ALA A 62 -10.589 7.542 -3.077 1.00 0.00 C ATOM 942 C ALA A 62 -10.102 6.156 -2.683 1.00 0.00 C ATOM 943 O ALA A 62 -10.873 5.339 -2.185 1.00 0.00 O ATOM 944 CB ALA A 62 -10.742 7.654 -4.588 1.00 0.00 C ATOM 0 H ALA A 62 -9.150 9.045 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.567 7.703 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.433 6.889 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.132 8.640 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.771 7.514 -5.063 1.00 0.00 H new ATOM 950 N ALA A 63 -8.805 5.913 -2.870 1.00 0.00 N ATOM 951 CA ALA A 63 -8.208 4.638 -2.492 1.00 0.00 C ATOM 952 C ALA A 63 -8.339 4.468 -0.992 1.00 0.00 C ATOM 953 O ALA A 63 -8.602 3.378 -0.485 1.00 0.00 O ATOM 954 CB ALA A 63 -6.748 4.591 -2.913 1.00 0.00 C ATOM 0 H ALA A 63 -8.152 6.581 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.726 3.823 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.317 3.633 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.677 4.709 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.202 5.397 -2.423 1.00 0.00 H new ATOM 960 N ILE A 64 -8.179 5.583 -0.299 1.00 0.00 N ATOM 961 CA ILE A 64 -8.295 5.632 1.142 1.00 0.00 C ATOM 962 C ILE A 64 -9.715 5.276 1.568 1.00 0.00 C ATOM 963 O ILE A 64 -9.923 4.405 2.406 1.00 0.00 O ATOM 964 CB ILE A 64 -7.953 7.050 1.638 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.469 7.339 1.408 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.313 7.233 3.109 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.135 8.814 1.357 1.00 0.00 C ATOM 0 H ILE A 64 -7.964 6.484 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.602 4.912 1.577 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.549 7.761 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.890 6.872 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.158 6.873 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.057 8.245 3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.382 7.070 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.757 6.515 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.065 8.939 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.686 9.284 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.413 9.283 2.301 1.00 0.00 H new ATOM 979 N ASP A 65 -10.683 5.964 0.977 1.00 0.00 N ATOM 980 CA ASP A 65 -12.089 5.739 1.284 1.00 0.00 C ATOM 981 C ASP A 65 -12.593 4.426 0.685 1.00 0.00 C ATOM 982 O ASP A 65 -13.709 3.995 0.974 1.00 0.00 O ATOM 983 CB ASP A 65 -12.933 6.909 0.762 1.00 0.00 C ATOM 984 CG ASP A 65 -13.463 7.790 1.878 1.00 0.00 C ATOM 985 OD1 ASP A 65 -13.604 7.291 3.014 1.00 0.00 O ATOM 986 OD2 ASP A 65 -13.740 8.980 1.615 1.00 0.00 O ATOM 0 H ASP A 65 -10.518 6.688 0.277 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.187 5.672 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.330 7.512 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.770 6.519 0.184 1.00 0.00 H new ATOM 991 N ASN A 66 -11.781 3.799 -0.165 1.00 0.00 N ATOM 992 CA ASN A 66 -12.185 2.544 -0.806 1.00 0.00 C ATOM 993 C ASN A 66 -11.504 1.320 -0.193 1.00 0.00 C ATOM 994 O ASN A 66 -12.126 0.266 -0.059 1.00 0.00 O ATOM 995 CB ASN A 66 -11.884 2.590 -2.308 1.00 0.00 C ATOM 996 CG ASN A 66 -13.089 3.010 -3.127 1.00 0.00 C ATOM 997 OD1 ASN A 66 -13.744 4.007 -2.824 1.00 0.00 O ATOM 998 ND2 ASN A 66 -13.392 2.243 -4.169 1.00 0.00 N ATOM 0 H ASN A 66 -10.852 4.132 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.258 2.444 -0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.064 3.285 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.548 1.607 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.195 2.472 -4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.821 1.425 -4.384 1.00 0.00 H new ATOM 1005 N MET A 67 -10.228 1.444 0.150 1.00 0.00 N ATOM 1006 CA MET A 67 -9.486 0.314 0.709 1.00 0.00 C ATOM 1007 C MET A 67 -9.579 0.248 2.235 1.00 0.00 C ATOM 1008 O MET A 67 -9.333 -0.803 2.828 1.00 0.00 O ATOM 1009 CB MET A 67 -8.026 0.366 0.260 1.00 0.00 C ATOM 1010 CG MET A 67 -7.753 -0.449 -0.993 1.00 0.00 C ATOM 1011 SD MET A 67 -8.061 -2.211 -0.763 1.00 0.00 S ATOM 1012 CE MET A 67 -6.434 -2.890 -1.081 1.00 0.00 C ATOM 0 H MET A 67 -9.688 2.304 0.054 1.00 0.00 H new ATOM 0 HA MET A 67 -9.948 -0.596 0.326 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.746 1.404 0.078 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.392 0.001 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.379 -0.079 -1.805 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.717 -0.303 -1.297 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.352 -3.872 -0.615 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.283 -2.985 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.675 -2.227 -0.665 1.00 0.00 H new ATOM 1022 N ASN A 68 -9.932 1.358 2.877 1.00 0.00 N ATOM 1023 CA ASN A 68 -10.050 1.374 4.331 1.00 0.00 C ATOM 1024 C ASN A 68 -11.061 0.329 4.797 1.00 0.00 C ATOM 1025 O ASN A 68 -12.248 0.414 4.481 1.00 0.00 O ATOM 1026 CB ASN A 68 -10.454 2.763 4.839 1.00 0.00 C ATOM 1027 CG ASN A 68 -11.903 3.106 4.548 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -12.777 2.936 5.399 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -12.165 3.591 3.343 1.00 0.00 N ATOM 0 H ASN A 68 -10.139 2.247 2.421 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.073 1.130 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.284 2.813 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.810 3.513 4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.121 3.840 3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.410 3.716 2.668 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.577 -0.654 5.544 1.00 0.00 N ATOM 1037 CA GLU A 69 -11.427 -1.724 6.061 1.00 0.00 C ATOM 1038 C GLU A 69 -11.993 -2.577 4.927 1.00 0.00 C ATOM 1039 O GLU A 69 -13.165 -2.955 4.948 1.00 0.00 O ATOM 1040 CB GLU A 69 -12.569 -1.142 6.899 1.00 0.00 C ATOM 1041 CG GLU A 69 -12.117 -0.568 8.231 1.00 0.00 C ATOM 1042 CD GLU A 69 -13.252 -0.440 9.226 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -13.558 -1.441 9.907 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -13.836 0.660 9.324 1.00 0.00 O ATOM 0 H GLU A 69 -9.595 -0.735 5.808 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.811 -2.363 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.066 -0.359 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.308 -1.922 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.340 -1.206 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.670 0.413 8.067 1.00 0.00 H new ATOM 1051 N SER A 70 -11.155 -2.887 3.943 1.00 0.00 N ATOM 1052 CA SER A 70 -11.574 -3.704 2.807 1.00 0.00 C ATOM 1053 C SER A 70 -10.999 -5.114 2.928 1.00 0.00 C ATOM 1054 O SER A 70 -10.532 -5.507 3.995 1.00 0.00 O ATOM 1055 CB SER A 70 -11.133 -3.053 1.489 1.00 0.00 C ATOM 1056 OG SER A 70 -12.251 -2.616 0.739 1.00 0.00 O ATOM 0 H SER A 70 -10.181 -2.585 3.908 1.00 0.00 H new ATOM 0 HA SER A 70 -12.662 -3.773 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.478 -2.207 1.699 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.554 -3.767 0.903 1.00 0.00 H new ATOM 0 HG SER A 70 -12.137 -1.672 0.501 1.00 0.00 H new ATOM 1062 N GLU A 71 -11.036 -5.871 1.835 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.514 -7.234 1.834 1.00 0.00 C ATOM 1064 C GLU A 71 -9.578 -7.457 0.651 1.00 0.00 C ATOM 1065 O GLU A 71 -9.957 -7.246 -0.500 1.00 0.00 O ATOM 1066 CB GLU A 71 -11.668 -8.240 1.795 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.790 -9.072 3.061 1.00 0.00 C ATOM 1068 CD GLU A 71 -13.229 -9.363 3.437 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -13.924 -10.036 2.646 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -13.661 -8.920 4.520 1.00 0.00 O ATOM 0 H GLU A 71 -11.421 -5.565 0.941 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.944 -7.384 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.602 -7.703 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.530 -8.906 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.258 -10.013 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.304 -8.547 3.883 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.355 -7.892 0.943 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.367 -8.152 -0.099 1.00 0.00 C ATOM 1079 C LEU A 72 -6.584 -9.420 0.208 1.00 0.00 C ATOM 1080 O LEU A 72 -6.077 -9.595 1.316 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.412 -6.964 -0.248 1.00 0.00 C ATOM 1082 CG LEU A 72 -5.931 -6.703 -1.678 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -7.008 -5.983 -2.478 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -4.634 -5.901 -1.674 1.00 0.00 C ATOM 0 H LEU A 72 -8.025 -8.072 1.891 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.898 -8.291 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.909 -6.067 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.543 -7.132 0.388 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.733 -7.663 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.650 -5.805 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.907 -6.598 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.239 -5.030 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.311 -5.727 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.799 -4.944 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.864 -6.458 -1.140 1.00 0.00 H new ATOM 1096 N PHE A 73 -6.492 -10.311 -0.775 1.00 0.00 N ATOM 1097 CA PHE A 73 -5.778 -11.567 -0.600 1.00 0.00 C ATOM 1098 C PHE A 73 -6.321 -12.333 0.604 1.00 0.00 C ATOM 1099 O PHE A 73 -5.604 -13.102 1.242 1.00 0.00 O ATOM 1100 CB PHE A 73 -4.278 -11.309 -0.436 1.00 0.00 C ATOM 1101 CG PHE A 73 -3.524 -11.327 -1.735 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -3.474 -12.479 -2.505 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -2.867 -10.194 -2.186 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -2.781 -12.498 -3.702 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -2.174 -10.209 -3.382 1.00 0.00 C ATOM 1106 CZ PHE A 73 -2.131 -11.362 -4.140 1.00 0.00 C ATOM 0 H PHE A 73 -6.903 -10.185 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.932 -12.176 -1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.134 -10.342 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.858 -12.063 0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.981 -13.370 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.896 -9.289 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.749 -13.401 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.666 -9.319 -3.723 1.00 0.00 H new ATOM 0 HZ PHE A 73 -1.590 -11.375 -5.074 1.00 0.00 H new ATOM 1116 N GLY A 74 -7.598 -12.113 0.902 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.227 -12.787 2.023 1.00 0.00 C ATOM 1118 C GLY A 74 -7.969 -12.097 3.351 1.00 0.00 C ATOM 1119 O GLY A 74 -8.365 -12.603 4.401 1.00 0.00 O ATOM 0 H GLY A 74 -8.209 -11.479 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.302 -12.841 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.861 -13.812 2.075 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.300 -10.945 3.316 1.00 0.00 N ATOM 1124 CA ARG A 75 -6.995 -10.209 4.529 1.00 0.00 C ATOM 1125 C ARG A 75 -7.611 -8.818 4.508 1.00 0.00 C ATOM 1126 O ARG A 75 -7.952 -8.284 3.455 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.483 -10.099 4.716 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.906 -11.172 5.622 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.407 -11.001 5.792 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.000 -11.085 7.194 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.066 -12.196 7.923 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -3.519 -13.323 7.387 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.673 -12.182 9.189 1.00 0.00 N ATOM 0 H ARG A 75 -6.962 -10.507 2.459 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.426 -10.760 5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.999 -10.159 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.246 -9.119 5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.392 -11.129 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.117 -12.156 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.887 -11.768 5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.104 -10.037 5.384 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.644 -10.240 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.818 -13.340 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.568 -14.172 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.320 -11.320 9.604 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.724 -13.034 9.748 1.00 0.00 H new ATOM 1147 N THR A 76 -7.735 -8.242 5.691 1.00 0.00 N ATOM 1148 CA THR A 76 -8.292 -6.909 5.850 1.00 0.00 C ATOM 1149 C THR A 76 -7.182 -5.870 5.798 1.00 0.00 C ATOM 1150 O THR A 76 -6.225 -5.942 6.564 1.00 0.00 O ATOM 1151 CB THR A 76 -9.042 -6.801 7.179 1.00 0.00 C ATOM 1152 OG1 THR A 76 -9.887 -7.925 7.377 1.00 0.00 O ATOM 1153 CG2 THR A 76 -9.893 -5.550 7.287 1.00 0.00 C ATOM 0 H THR A 76 -7.453 -8.683 6.566 1.00 0.00 H new ATOM 0 HA THR A 76 -8.992 -6.725 5.035 1.00 0.00 H new ATOM 0 HB THR A 76 -8.267 -6.758 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.355 -7.836 8.233 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.398 -5.535 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.258 -4.669 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.636 -5.545 6.490 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.314 -4.903 4.899 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.315 -3.855 4.760 1.00 0.00 C ATOM 1163 C ILE A 77 -6.885 -2.494 5.133 1.00 0.00 C ATOM 1164 O ILE A 77 -8.093 -2.268 5.065 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.733 -3.782 3.330 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -6.809 -3.380 2.311 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -5.085 -5.103 2.943 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -7.807 -4.473 1.992 1.00 0.00 C ATOM 0 H ILE A 77 -8.102 -4.824 4.257 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.510 -4.115 5.447 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.964 -3.010 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.348 -2.513 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.320 -3.070 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.682 -5.029 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.278 -5.330 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.830 -5.898 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.530 -4.104 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.283 -5.334 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.327 -4.768 2.903 1.00 0.00 H new ATOM 1180 N ARG A 78 -5.999 -1.591 5.511 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.383 -0.237 5.884 1.00 0.00 C ATOM 1182 C ARG A 78 -5.462 0.767 5.204 1.00 0.00 C ATOM 1183 O ARG A 78 -4.255 0.548 5.120 1.00 0.00 O ATOM 1184 CB ARG A 78 -6.323 -0.060 7.402 1.00 0.00 C ATOM 1185 CG ARG A 78 -6.998 1.217 7.891 1.00 0.00 C ATOM 1186 CD ARG A 78 -5.999 2.184 8.512 1.00 0.00 C ATOM 1187 NE ARG A 78 -5.642 1.801 9.876 1.00 0.00 N ATOM 1188 CZ ARG A 78 -4.501 1.200 10.212 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -3.595 0.902 9.288 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -4.264 0.896 11.480 1.00 0.00 N ATOM 0 H ARG A 78 -4.997 -1.772 5.569 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.408 -0.062 5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.797 -0.918 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.280 -0.055 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.503 1.703 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.764 0.965 8.625 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.099 2.219 7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.422 3.189 8.516 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.309 2.007 10.619 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.769 1.133 8.310 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.725 0.442 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.954 1.122 12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.391 0.436 11.740 1.00 0.00 H new ATOM 1204 N VAL A 79 -6.030 1.862 4.712 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.237 2.877 4.032 1.00 0.00 C ATOM 1206 C VAL A 79 -5.283 4.207 4.784 1.00 0.00 C ATOM 1207 O VAL A 79 -6.261 4.509 5.470 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.742 3.055 2.581 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -4.971 4.138 1.836 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.649 1.732 1.838 1.00 0.00 C ATOM 0 H VAL A 79 -7.027 2.068 4.771 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.199 2.545 4.008 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.783 3.375 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.359 4.229 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.087 5.089 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.915 3.872 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.006 1.863 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.612 1.397 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.262 0.987 2.344 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.212 4.991 4.666 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.125 6.278 5.349 1.00 0.00 C ATOM 1222 C ASN A 80 -3.117 7.196 4.659 1.00 0.00 C ATOM 1223 O ASN A 80 -2.313 6.744 3.846 1.00 0.00 O ATOM 1224 CB ASN A 80 -3.734 6.076 6.814 1.00 0.00 C ATOM 1225 CG ASN A 80 -2.422 5.332 6.967 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -2.403 4.114 7.150 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -1.315 6.062 6.894 1.00 0.00 N ATOM 0 H ASN A 80 -3.394 4.756 4.104 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.106 6.751 5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.657 7.047 7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.523 5.524 7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.403 5.616 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.377 7.069 6.741 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.176 8.486 4.980 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.274 9.465 4.378 1.00 0.00 C ATOM 1236 C LEU A 81 -0.804 9.161 4.719 1.00 0.00 C ATOM 1237 O LEU A 81 -0.226 8.227 4.165 1.00 0.00 O ATOM 1238 CB LEU A 81 -2.681 10.889 4.801 1.00 0.00 C ATOM 1239 CG LEU A 81 -3.348 11.723 3.705 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -2.487 11.747 2.452 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -4.742 11.193 3.389 1.00 0.00 C ATOM 0 H LEU A 81 -3.837 8.877 5.651 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.362 9.397 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.362 10.819 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.793 11.417 5.148 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.450 12.744 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.978 12.345 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.516 12.184 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.349 10.730 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.195 11.803 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.670 10.160 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.360 11.236 4.286 1.00 0.00 H new