USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot -61:sc= 0.0203 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.0174 USER MOD Set 2.1: A 81 TYR OH : rot 150:sc= -0.0705 USER MOD Set 2.2: A 87 SER OG : rot 180:sc= -0.449 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 17 SER OG : rot -102:sc= 0.474 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 21:sc= 0.316 USER MOD Single : A 52 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 58 ASN : amide:sc= -4.89! K(o=-4.9!,f=-2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -46:sc= 1.05 USER MOD Single : A 71 THR OG1 : rot 55:sc= 1.24 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.494 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -10:sc= 0.383 USER MOD Single : A 95 THR OG1 : rot -170:sc= 1.23 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00923) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -7.004 -11.881 -6.276 1.00 0.00 N ATOM 110 CA PRO A 11 -8.346 -11.718 -6.843 1.00 0.00 C ATOM 111 C PRO A 11 -8.406 -10.600 -7.878 1.00 0.00 C ATOM 112 O PRO A 11 -9.011 -10.756 -8.939 1.00 0.00 O ATOM 113 CB PRO A 11 -9.205 -11.365 -5.626 1.00 0.00 C ATOM 114 CG PRO A 11 -8.253 -10.756 -4.654 1.00 0.00 C ATOM 115 CD PRO A 11 -6.940 -11.455 -4.868 1.00 0.00 C ATOM 0 HA PRO A 11 -8.676 -12.613 -7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.000 -10.668 -5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.684 -12.251 -5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.156 -9.683 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.603 -10.888 -3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.096 -10.789 -4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.824 -12.305 -4.196 1.00 0.00 H new ATOM 123 N ARG A 12 -7.774 -9.474 -7.564 1.00 0.00 N ATOM 124 CA ARG A 12 -7.756 -8.330 -8.468 1.00 0.00 C ATOM 125 C ARG A 12 -6.345 -7.768 -8.606 1.00 0.00 C ATOM 126 O ARG A 12 -5.394 -8.301 -8.032 1.00 0.00 O ATOM 127 CB ARG A 12 -8.704 -7.240 -7.964 1.00 0.00 C ATOM 128 CG ARG A 12 -10.174 -7.612 -8.072 1.00 0.00 C ATOM 129 CD ARG A 12 -10.648 -7.589 -9.517 1.00 0.00 C ATOM 130 NE ARG A 12 -12.023 -8.066 -9.649 1.00 0.00 N ATOM 131 CZ ARG A 12 -12.549 -8.483 -10.795 1.00 0.00 C ATOM 132 NH1 ARG A 12 -11.820 -8.482 -11.902 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.807 -8.902 -10.835 1.00 0.00 N ATOM 0 H ARG A 12 -7.268 -9.329 -6.690 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.091 -8.668 -9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.469 -7.020 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.527 -6.326 -8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.331 -8.605 -7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.771 -6.918 -7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.578 -6.573 -9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.989 -8.209 -10.125 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.611 -8.079 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.852 -8.160 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.227 -8.803 -12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.371 -8.904 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.210 -9.222 -11.716 1.00 0.00 H new ATOM 147 N HIS A 13 -6.215 -6.688 -9.370 1.00 0.00 N ATOM 148 CA HIS A 13 -4.919 -6.053 -9.584 1.00 0.00 C ATOM 149 C HIS A 13 -4.844 -4.714 -8.857 1.00 0.00 C ATOM 150 O HIS A 13 -5.834 -3.985 -8.773 1.00 0.00 O ATOM 151 CB HIS A 13 -4.666 -5.851 -11.078 1.00 0.00 C ATOM 152 CG HIS A 13 -4.960 -7.065 -11.905 1.00 0.00 C ATOM 153 ND1 HIS A 13 -5.991 -7.122 -12.819 1.00 0.00 N ATOM 154 CD2 HIS A 13 -4.351 -8.273 -11.952 1.00 0.00 C ATOM 155 CE1 HIS A 13 -6.003 -8.312 -13.392 1.00 0.00 C ATOM 156 NE2 HIS A 13 -5.018 -9.030 -12.884 1.00 0.00 N ATOM 0 H HIS A 13 -6.991 -6.234 -9.851 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.149 -6.710 -9.179 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.279 -5.022 -11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.625 -5.564 -11.226 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.499 -8.584 -11.366 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.700 -8.642 -14.148 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.790 -9.990 -13.142 1.00 0.00 H new ATOM 165 N LEU A 14 -3.666 -4.395 -8.334 1.00 0.00 N ATOM 166 CA LEU A 14 -3.462 -3.143 -7.614 1.00 0.00 C ATOM 167 C LEU A 14 -3.140 -2.006 -8.579 1.00 0.00 C ATOM 168 O LEU A 14 -2.873 -2.236 -9.757 1.00 0.00 O ATOM 169 CB LEU A 14 -2.332 -3.297 -6.594 1.00 0.00 C ATOM 170 CG LEU A 14 -2.747 -3.758 -5.197 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.523 -4.094 -4.360 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.587 -2.690 -4.511 1.00 0.00 C ATOM 0 H LEU A 14 -2.837 -4.986 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.386 -2.899 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.607 -4.009 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.820 -2.339 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.352 -4.659 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.838 -4.420 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.960 -4.893 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.892 -3.210 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.874 -3.035 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.007 -1.772 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.483 -2.497 -5.101 1.00 0.00 H new ATOM 184 N GLY A 15 -3.166 -0.779 -8.068 1.00 0.00 N ATOM 185 CA GLY A 15 -2.874 0.376 -8.898 1.00 0.00 C ATOM 186 C GLY A 15 -2.363 1.554 -8.092 1.00 0.00 C ATOM 187 O GLY A 15 -2.995 1.973 -7.123 1.00 0.00 O ATOM 0 H GLY A 15 -3.384 -0.564 -7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.131 0.103 -9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.775 0.671 -9.435 1.00 0.00 H new ATOM 191 N PHE A 16 -1.215 2.089 -8.493 1.00 0.00 N ATOM 192 CA PHE A 16 -0.617 3.225 -7.800 1.00 0.00 C ATOM 193 C PHE A 16 -0.713 4.490 -8.647 1.00 0.00 C ATOM 194 O PHE A 16 -0.206 4.541 -9.768 1.00 0.00 O ATOM 195 CB PHE A 16 0.847 2.932 -7.464 1.00 0.00 C ATOM 196 CG PHE A 16 1.031 1.727 -6.586 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.731 1.786 -5.235 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.504 0.536 -7.113 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.899 0.679 -4.424 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.674 -0.574 -6.307 1.00 0.00 C ATOM 201 CZ PHE A 16 1.372 -0.502 -4.961 1.00 0.00 C ATOM 0 H PHE A 16 -0.680 1.755 -9.294 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.169 3.386 -6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.402 2.785 -8.391 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.279 3.802 -6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.362 2.708 -4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.742 0.474 -8.165 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.661 0.738 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.043 -1.497 -6.729 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.506 -1.368 -4.330 1.00 0.00 H new ATOM 211 N SER A 17 -1.368 5.511 -8.103 1.00 0.00 N ATOM 212 CA SER A 17 -1.535 6.776 -8.809 1.00 0.00 C ATOM 213 C SER A 17 -1.167 7.953 -7.910 1.00 0.00 C ATOM 214 O SER A 17 -0.964 7.789 -6.707 1.00 0.00 O ATOM 215 CB SER A 17 -2.977 6.925 -9.298 1.00 0.00 C ATOM 216 OG SER A 17 -3.896 6.783 -8.229 1.00 0.00 O ATOM 0 H SER A 17 -1.792 5.487 -7.175 1.00 0.00 H new ATOM 0 HA SER A 17 -0.865 6.775 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.107 7.901 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.184 6.176 -10.062 1.00 0.00 H new ATOM 0 HG SER A 17 -4.291 5.886 -8.254 1.00 0.00 H new ATOM 222 N ASP A 18 -1.083 9.138 -8.504 1.00 0.00 N ATOM 223 CA ASP A 18 -0.740 10.344 -7.758 1.00 0.00 C ATOM 224 C ASP A 18 0.416 10.079 -6.799 1.00 0.00 C ATOM 225 O ASP A 18 0.448 10.609 -5.688 1.00 0.00 O ATOM 226 CB ASP A 18 -1.957 10.853 -6.983 1.00 0.00 C ATOM 227 CG ASP A 18 -1.940 12.358 -6.801 1.00 0.00 C ATOM 228 OD1 ASP A 18 -1.605 13.068 -7.772 1.00 0.00 O ATOM 229 OD2 ASP A 18 -2.260 12.825 -5.688 1.00 0.00 O ATOM 0 H ASP A 18 -1.247 9.290 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.428 11.107 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.866 10.564 -7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.989 10.372 -6.005 1.00 0.00 H new ATOM 234 N VAL A 19 1.363 9.255 -7.234 1.00 0.00 N ATOM 235 CA VAL A 19 2.521 8.919 -6.414 1.00 0.00 C ATOM 236 C VAL A 19 3.468 10.108 -6.288 1.00 0.00 C ATOM 237 O VAL A 19 3.681 10.850 -7.247 1.00 0.00 O ATOM 238 CB VAL A 19 3.294 7.721 -6.998 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.499 7.391 -6.131 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.379 6.514 -7.136 1.00 0.00 C ATOM 0 H VAL A 19 1.351 8.807 -8.150 1.00 0.00 H new ATOM 0 HA VAL A 19 2.143 8.652 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 19 3.654 7.991 -7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.033 6.542 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.164 8.254 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.165 7.140 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.941 5.677 -7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.988 6.240 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.551 6.759 -7.801 1.00 0.00 H new ATOM 250 N SER A 20 4.033 10.283 -5.098 1.00 0.00 N ATOM 251 CA SER A 20 4.955 11.384 -4.844 1.00 0.00 C ATOM 252 C SER A 20 6.284 10.865 -4.303 1.00 0.00 C ATOM 253 O SER A 20 6.503 9.657 -4.214 1.00 0.00 O ATOM 254 CB SER A 20 4.340 12.375 -3.855 1.00 0.00 C ATOM 255 OG SER A 20 3.372 13.194 -4.488 1.00 0.00 O ATOM 0 H SER A 20 3.869 9.677 -4.294 1.00 0.00 H new ATOM 0 HA SER A 20 5.142 11.895 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.878 11.832 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.124 12.999 -3.426 1.00 0.00 H new ATOM 0 HG SER A 20 2.993 13.817 -3.834 1.00 0.00 H new ATOM 261 N HIS A 21 7.170 11.789 -3.942 1.00 0.00 N ATOM 262 CA HIS A 21 8.478 11.427 -3.408 1.00 0.00 C ATOM 263 C HIS A 21 8.396 11.149 -1.910 1.00 0.00 C ATOM 264 O HIS A 21 9.306 10.561 -1.327 1.00 0.00 O ATOM 265 CB HIS A 21 9.489 12.542 -3.678 1.00 0.00 C ATOM 266 CG HIS A 21 8.909 13.918 -3.557 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.464 14.644 -4.641 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.701 14.699 -2.472 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.009 15.813 -4.228 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.141 15.872 -2.915 1.00 0.00 N ATOM 0 H HIS A 21 7.005 12.793 -4.010 1.00 0.00 H new ATOM 0 HA HIS A 21 8.809 10.518 -3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.320 12.444 -2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.898 12.416 -4.680 1.00 0.00 H new ATOM 0 HD2 HIS A 21 8.932 14.447 -1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.599 16.589 -4.857 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.871 16.660 -2.326 1.00 0.00 H new ATOM 279 N ASP A 22 7.299 11.577 -1.294 1.00 0.00 N ATOM 280 CA ASP A 22 7.098 11.375 0.136 1.00 0.00 C ATOM 281 C ASP A 22 5.699 10.836 0.417 1.00 0.00 C ATOM 282 O ASP A 22 5.170 10.997 1.517 1.00 0.00 O ATOM 283 CB ASP A 22 7.315 12.685 0.894 1.00 0.00 C ATOM 284 CG ASP A 22 8.764 12.894 1.287 1.00 0.00 C ATOM 285 OD1 ASP A 22 9.517 13.484 0.484 1.00 0.00 O ATOM 286 OD2 ASP A 22 9.146 12.467 2.397 1.00 0.00 O ATOM 0 H ASP A 22 6.536 12.066 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 22 7.827 10.641 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.986 13.519 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.694 12.690 1.790 1.00 0.00 H new ATOM 291 N ALA A 23 5.104 10.196 -0.585 1.00 0.00 N ATOM 292 CA ALA A 23 3.767 9.633 -0.445 1.00 0.00 C ATOM 293 C ALA A 23 3.387 8.812 -1.673 1.00 0.00 C ATOM 294 O ALA A 23 4.013 8.926 -2.726 1.00 0.00 O ATOM 295 CB ALA A 23 2.750 10.740 -0.213 1.00 0.00 C ATOM 0 H ALA A 23 5.527 10.055 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 23 3.767 8.968 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.756 10.305 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.004 11.283 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.760 11.426 -1.060 1.00 0.00 H new ATOM 301 N ALA A 24 2.357 7.984 -1.529 1.00 0.00 N ATOM 302 CA ALA A 24 1.893 7.144 -2.626 1.00 0.00 C ATOM 303 C ALA A 24 0.445 6.715 -2.414 1.00 0.00 C ATOM 304 O ALA A 24 0.066 6.295 -1.321 1.00 0.00 O ATOM 305 CB ALA A 24 2.791 5.925 -2.774 1.00 0.00 C ATOM 0 H ALA A 24 1.828 7.877 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 24 1.940 7.729 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.432 5.307 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.811 6.248 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.773 5.346 -1.851 1.00 0.00 H new ATOM 311 N ARG A 25 -0.359 6.824 -3.467 1.00 0.00 N ATOM 312 CA ARG A 25 -1.766 6.449 -3.395 1.00 0.00 C ATOM 313 C ARG A 25 -1.982 5.042 -3.943 1.00 0.00 C ATOM 314 O ARG A 25 -1.650 4.754 -5.093 1.00 0.00 O ATOM 315 CB ARG A 25 -2.623 7.449 -4.174 1.00 0.00 C ATOM 316 CG ARG A 25 -4.087 7.443 -3.767 1.00 0.00 C ATOM 317 CD ARG A 25 -4.774 8.749 -4.138 1.00 0.00 C ATOM 318 NE ARG A 25 -5.340 8.706 -5.484 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.459 8.059 -5.790 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.129 7.405 -4.851 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.910 8.067 -7.038 1.00 0.00 N ATOM 0 H ARG A 25 -0.060 7.169 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.067 6.462 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.219 8.451 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.550 7.226 -5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.597 6.611 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.166 7.282 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.565 8.960 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.057 9.567 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.849 9.200 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.785 7.398 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.988 6.909 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.397 8.570 -7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.769 7.570 -7.273 1.00 0.00 H new ATOM 335 N VAL A 26 -2.540 4.168 -3.111 1.00 0.00 N ATOM 336 CA VAL A 26 -2.801 2.790 -3.512 1.00 0.00 C ATOM 337 C VAL A 26 -4.299 2.518 -3.602 1.00 0.00 C ATOM 338 O VAL A 26 -5.044 2.767 -2.654 1.00 0.00 O ATOM 339 CB VAL A 26 -2.167 1.789 -2.528 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.621 2.079 -1.106 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.510 0.362 -2.926 1.00 0.00 C ATOM 0 H VAL A 26 -2.820 4.389 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.350 2.656 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.084 1.902 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.163 1.362 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.320 3.089 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.706 1.995 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.054 -0.332 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.592 0.232 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.130 0.162 -3.928 1.00 0.00 H new ATOM 351 N PHE A 27 -4.734 2.006 -4.749 1.00 0.00 N ATOM 352 CA PHE A 27 -6.143 1.700 -4.963 1.00 0.00 C ATOM 353 C PHE A 27 -6.310 0.326 -5.605 1.00 0.00 C ATOM 354 O PHE A 27 -5.581 -0.031 -6.531 1.00 0.00 O ATOM 355 CB PHE A 27 -6.791 2.770 -5.845 1.00 0.00 C ATOM 356 CG PHE A 27 -6.290 2.762 -7.262 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.812 1.876 -8.190 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.299 3.642 -7.665 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.353 1.866 -9.493 1.00 0.00 C ATOM 360 CE2 PHE A 27 -4.836 3.637 -8.967 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.364 2.748 -9.883 1.00 0.00 C ATOM 0 H PHE A 27 -4.131 1.795 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.638 1.690 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.871 2.621 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.606 3.751 -5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.587 1.185 -7.892 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.883 4.340 -6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.767 1.169 -10.206 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.062 4.327 -9.268 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.005 2.743 -10.901 1.00 0.00 H new ATOM 371 N TRP A 28 -7.274 -0.440 -5.107 1.00 0.00 N ATOM 372 CA TRP A 28 -7.537 -1.775 -5.631 1.00 0.00 C ATOM 373 C TRP A 28 -8.949 -1.870 -6.197 1.00 0.00 C ATOM 374 O TRP A 28 -9.797 -1.024 -5.915 1.00 0.00 O ATOM 375 CB TRP A 28 -7.342 -2.823 -4.534 1.00 0.00 C ATOM 376 CG TRP A 28 -8.014 -2.464 -3.244 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.105 -3.072 -2.690 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.640 -1.413 -2.347 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.431 -2.461 -1.503 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.547 -1.441 -1.269 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.625 -0.451 -2.347 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.469 -0.545 -0.207 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.550 0.438 -1.292 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.466 0.386 -0.233 1.00 0.00 C ATOM 0 H TRP A 28 -7.886 -0.159 -4.341 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.830 -1.967 -6.438 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.729 -3.780 -4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.275 -2.957 -4.355 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.633 -3.909 -3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.206 -2.724 -0.894 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.912 -0.404 -3.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.175 -0.583 0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.771 1.186 -1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.379 1.094 0.578 1.00 0.00 H new ATOM 395 N GLU A 29 -9.194 -2.903 -6.996 1.00 0.00 N ATOM 396 CA GLU A 29 -10.505 -3.106 -7.602 1.00 0.00 C ATOM 397 C GLU A 29 -11.415 -3.906 -6.674 1.00 0.00 C ATOM 398 O GLU A 29 -12.432 -4.450 -7.101 1.00 0.00 O ATOM 399 CB GLU A 29 -10.366 -3.828 -8.944 1.00 0.00 C ATOM 400 CG GLU A 29 -9.823 -2.946 -10.055 1.00 0.00 C ATOM 401 CD GLU A 29 -10.878 -2.027 -10.639 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.837 -2.539 -11.253 1.00 0.00 O ATOM 403 OE2 GLU A 29 -10.744 -0.795 -10.482 1.00 0.00 O ATOM 0 H GLU A 29 -8.502 -3.612 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.954 -2.127 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.707 -4.687 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.341 -4.215 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.999 -2.347 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.416 -3.575 -10.847 1.00 0.00 H new ATOM 410 N GLY A 30 -11.040 -3.973 -5.400 1.00 0.00 N ATOM 411 CA GLY A 30 -11.832 -4.708 -4.431 1.00 0.00 C ATOM 412 C GLY A 30 -11.659 -6.209 -4.560 1.00 0.00 C ATOM 413 O GLY A 30 -10.776 -6.679 -5.277 1.00 0.00 O ATOM 0 H GLY A 30 -10.202 -3.531 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.549 -4.398 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.884 -4.454 -4.559 1.00 0.00 H new ATOM 417 N ALA A 31 -12.503 -6.962 -3.863 1.00 0.00 N ATOM 418 CA ALA A 31 -12.439 -8.418 -3.903 1.00 0.00 C ATOM 419 C ALA A 31 -13.830 -9.024 -4.056 1.00 0.00 C ATOM 420 O ALA A 31 -14.835 -8.446 -3.640 1.00 0.00 O ATOM 421 CB ALA A 31 -11.763 -8.952 -2.649 1.00 0.00 C ATOM 0 H ALA A 31 -13.239 -6.588 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.847 -8.707 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.722 -10.040 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.751 -8.553 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.331 -8.645 -1.771 1.00 0.00 H new ATOM 427 N PRO A 32 -13.893 -10.217 -4.667 1.00 0.00 N ATOM 428 CA PRO A 32 -15.156 -10.927 -4.889 1.00 0.00 C ATOM 429 C PRO A 32 -15.762 -11.450 -3.591 1.00 0.00 C ATOM 430 O PRO A 32 -16.797 -12.117 -3.603 1.00 0.00 O ATOM 431 CB PRO A 32 -14.753 -12.090 -5.798 1.00 0.00 C ATOM 432 CG PRO A 32 -13.309 -12.316 -5.509 1.00 0.00 C ATOM 433 CD PRO A 32 -12.735 -10.963 -5.188 1.00 0.00 C ATOM 0 HA PRO A 32 -15.920 -10.278 -5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.343 -12.981 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.913 -11.845 -6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.181 -13.003 -4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.804 -12.761 -6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.935 -11.030 -4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.314 -10.485 -6.072 1.00 0.00 H new ATOM 441 N ARG A 33 -15.111 -11.144 -2.474 1.00 0.00 N ATOM 442 CA ARG A 33 -15.587 -11.585 -1.168 1.00 0.00 C ATOM 443 C ARG A 33 -15.929 -10.390 -0.282 1.00 0.00 C ATOM 444 O ARG A 33 -15.413 -9.286 -0.460 1.00 0.00 O ATOM 445 CB ARG A 33 -14.530 -12.454 -0.483 1.00 0.00 C ATOM 446 CG ARG A 33 -13.660 -13.233 -1.456 1.00 0.00 C ATOM 447 CD ARG A 33 -14.344 -14.511 -1.915 1.00 0.00 C ATOM 448 NE ARG A 33 -13.382 -15.557 -2.251 1.00 0.00 N ATOM 449 CZ ARG A 33 -13.686 -16.850 -2.291 1.00 0.00 C ATOM 450 NH1 ARG A 33 -14.919 -17.253 -2.018 1.00 0.00 N ATOM 451 NH2 ARG A 33 -12.755 -17.742 -2.604 1.00 0.00 N ATOM 0 H ARG A 33 -14.253 -10.593 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.491 -12.175 -1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.893 -11.819 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.027 -13.154 0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.432 -12.610 -2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.710 -13.478 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.009 -14.869 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.965 -14.297 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.424 -15.280 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.637 -16.570 -1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.150 -18.246 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.805 -17.435 -2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.989 -18.734 -2.634 1.00 0.00 H new ATOM 465 N PRO A 34 -16.821 -10.613 0.694 1.00 0.00 N ATOM 466 CA PRO A 34 -17.252 -9.567 1.627 1.00 0.00 C ATOM 467 C PRO A 34 -16.146 -9.162 2.595 1.00 0.00 C ATOM 468 O PRO A 34 -15.397 -10.006 3.087 1.00 0.00 O ATOM 469 CB PRO A 34 -18.411 -10.222 2.382 1.00 0.00 C ATOM 470 CG PRO A 34 -18.143 -11.685 2.294 1.00 0.00 C ATOM 471 CD PRO A 34 -17.476 -11.904 0.964 1.00 0.00 C ATOM 0 HA PRO A 34 -17.527 -8.648 1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -18.447 -9.888 3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.371 -9.968 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -17.501 -12.014 3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.068 -12.256 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -16.754 -12.720 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -18.199 -12.158 0.189 1.00 0.00 H new ATOM 479 N VAL A 35 -16.049 -7.864 2.866 1.00 0.00 N ATOM 480 CA VAL A 35 -15.035 -7.347 3.777 1.00 0.00 C ATOM 481 C VAL A 35 -15.647 -6.391 4.795 1.00 0.00 C ATOM 482 O VAL A 35 -16.451 -5.527 4.445 1.00 0.00 O ATOM 483 CB VAL A 35 -13.914 -6.617 3.013 1.00 0.00 C ATOM 484 CG1 VAL A 35 -12.875 -6.073 3.982 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.271 -7.546 1.995 1.00 0.00 C ATOM 0 H VAL A 35 -16.660 -7.151 2.467 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.610 -8.205 4.298 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.352 -5.775 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.091 -5.561 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.350 -5.372 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.439 -6.896 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.481 -7.014 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.846 -8.409 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.024 -7.882 1.282 1.00 0.00 H new ATOM 495 N ARG A 36 -15.262 -6.553 6.056 1.00 0.00 N ATOM 496 CA ARG A 36 -15.773 -5.705 7.126 1.00 0.00 C ATOM 497 C ARG A 36 -14.771 -4.609 7.478 1.00 0.00 C ATOM 498 O ARG A 36 -15.150 -3.531 7.937 1.00 0.00 O ATOM 499 CB ARG A 36 -16.083 -6.545 8.367 1.00 0.00 C ATOM 500 CG ARG A 36 -14.851 -7.168 9.004 1.00 0.00 C ATOM 501 CD ARG A 36 -15.196 -7.885 10.300 1.00 0.00 C ATOM 502 NE ARG A 36 -15.557 -6.950 11.363 1.00 0.00 N ATOM 503 CZ ARG A 36 -15.599 -7.281 12.649 1.00 0.00 C ATOM 504 NH1 ARG A 36 -15.303 -8.516 13.029 1.00 0.00 N ATOM 505 NH2 ARG A 36 -15.936 -6.375 13.558 1.00 0.00 N ATOM 0 H ARG A 36 -14.598 -7.264 6.362 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.691 -5.234 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.585 -5.918 9.104 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.781 -7.337 8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.397 -7.872 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.111 -6.393 9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.024 -8.572 10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.345 -8.486 10.619 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.789 -5.991 11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.042 -9.215 12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.336 -8.767 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.163 -5.423 13.270 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.968 -6.630 14.545 1.00 0.00 H new ATOM 519 N LEU A 37 -13.492 -4.892 7.259 1.00 0.00 N ATOM 520 CA LEU A 37 -12.435 -3.931 7.552 1.00 0.00 C ATOM 521 C LEU A 37 -11.191 -4.218 6.718 1.00 0.00 C ATOM 522 O LEU A 37 -10.984 -5.341 6.259 1.00 0.00 O ATOM 523 CB LEU A 37 -12.084 -3.968 9.041 1.00 0.00 C ATOM 524 CG LEU A 37 -10.992 -2.999 9.497 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.503 -1.567 9.472 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.500 -3.368 10.889 1.00 0.00 C ATOM 0 H LEU A 37 -13.162 -5.779 6.879 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.800 -2.937 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.989 -3.760 9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.772 -4.981 9.295 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.154 -3.075 8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.712 -0.893 9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.805 -1.306 8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.359 -1.474 10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.723 -2.668 11.198 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.331 -3.321 11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.093 -4.379 10.875 1.00 0.00 H new ATOM 538 N VAL A 38 -10.363 -3.195 6.527 1.00 0.00 N ATOM 539 CA VAL A 38 -9.138 -3.338 5.751 1.00 0.00 C ATOM 540 C VAL A 38 -7.934 -2.805 6.521 1.00 0.00 C ATOM 541 O VAL A 38 -8.037 -1.815 7.245 1.00 0.00 O ATOM 542 CB VAL A 38 -9.238 -2.601 4.402 1.00 0.00 C ATOM 543 CG1 VAL A 38 -7.920 -2.686 3.647 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.377 -3.168 3.569 1.00 0.00 C ATOM 0 H VAL A 38 -10.519 -2.258 6.900 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.004 -4.404 5.565 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.449 -1.550 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.010 -2.160 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.130 -2.228 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.674 -3.731 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.433 -2.636 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.199 -4.227 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.317 -3.048 4.108 1.00 0.00 H new ATOM 554 N ARG A 39 -6.794 -3.469 6.359 1.00 0.00 N ATOM 555 CA ARG A 39 -5.571 -3.063 7.039 1.00 0.00 C ATOM 556 C ARG A 39 -4.386 -3.068 6.077 1.00 0.00 C ATOM 557 O ARG A 39 -3.795 -4.114 5.809 1.00 0.00 O ATOM 558 CB ARG A 39 -5.286 -3.992 8.221 1.00 0.00 C ATOM 559 CG ARG A 39 -4.518 -3.325 9.349 1.00 0.00 C ATOM 560 CD ARG A 39 -4.638 -4.110 10.646 1.00 0.00 C ATOM 561 NE ARG A 39 -5.871 -3.797 11.363 1.00 0.00 N ATOM 562 CZ ARG A 39 -6.388 -4.573 12.310 1.00 0.00 C ATOM 563 NH1 ARG A 39 -5.781 -5.701 12.652 1.00 0.00 N ATOM 564 NH2 ARG A 39 -7.514 -4.220 12.917 1.00 0.00 N ATOM 0 H ARG A 39 -6.692 -4.290 5.763 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.712 -2.048 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.231 -4.371 8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.719 -4.853 7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.467 -3.236 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.895 -2.313 9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.607 -5.177 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.782 -3.890 11.284 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.362 -2.936 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.915 -5.975 12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.180 -6.295 13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.983 -3.353 12.657 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.910 -4.816 13.644 1.00 0.00 H new ATOM 578 N VAL A 40 -4.045 -1.892 5.561 1.00 0.00 N ATOM 579 CA VAL A 40 -2.931 -1.760 4.629 1.00 0.00 C ATOM 580 C VAL A 40 -1.602 -1.675 5.370 1.00 0.00 C ATOM 581 O VAL A 40 -1.509 -1.059 6.433 1.00 0.00 O ATOM 582 CB VAL A 40 -3.090 -0.515 3.737 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.898 -0.372 2.802 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.389 -0.586 2.949 1.00 0.00 C ATOM 0 H VAL A 40 -4.524 -1.017 5.772 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.937 -2.651 4.001 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.128 0.366 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.028 0.513 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.985 -0.272 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.826 -1.255 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.485 0.302 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.384 -1.475 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.231 -0.636 3.639 1.00 0.00 H new ATOM 594 N THR A 41 -0.573 -2.296 4.803 1.00 0.00 N ATOM 595 CA THR A 41 0.752 -2.292 5.410 1.00 0.00 C ATOM 596 C THR A 41 1.839 -2.103 4.357 1.00 0.00 C ATOM 597 O THR A 41 1.969 -2.907 3.434 1.00 0.00 O ATOM 598 CB THR A 41 1.022 -3.598 6.181 1.00 0.00 C ATOM 599 OG1 THR A 41 0.694 -4.726 5.362 1.00 0.00 O ATOM 600 CG2 THR A 41 0.210 -3.644 7.467 1.00 0.00 C ATOM 0 H THR A 41 -0.632 -2.809 3.923 1.00 0.00 H new ATOM 0 HA THR A 41 0.776 -1.455 6.108 1.00 0.00 H new ATOM 0 HB THR A 41 2.081 -3.632 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.870 -5.553 5.858 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.417 -4.575 7.995 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.483 -2.800 8.100 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.852 -3.590 7.229 1.00 0.00 H new ATOM 608 N TYR A 42 2.616 -1.036 4.501 1.00 0.00 N ATOM 609 CA TYR A 42 3.691 -0.741 3.561 1.00 0.00 C ATOM 610 C TYR A 42 5.048 -0.772 4.257 1.00 0.00 C ATOM 611 O TYR A 42 5.138 -0.616 5.475 1.00 0.00 O ATOM 612 CB TYR A 42 3.469 0.627 2.913 1.00 0.00 C ATOM 613 CG TYR A 42 3.050 1.700 3.893 1.00 0.00 C ATOM 614 CD1 TYR A 42 1.743 1.771 4.359 1.00 0.00 C ATOM 615 CD2 TYR A 42 3.961 2.643 4.353 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.355 2.749 5.253 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.582 3.624 5.249 1.00 0.00 C ATOM 618 CZ TYR A 42 2.278 3.674 5.695 1.00 0.00 C ATOM 619 OH TYR A 42 1.896 4.650 6.587 1.00 0.00 O ATOM 0 H TYR A 42 2.522 -0.361 5.260 1.00 0.00 H new ATOM 0 HA TYR A 42 3.683 -1.508 2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.388 0.938 2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.706 0.534 2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.018 1.048 4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.983 2.609 4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.335 2.790 5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.303 4.348 5.598 1.00 0.00 H new ATOM 0 HH TYR A 42 2.665 5.220 6.798 1.00 0.00 H new ATOM 629 N VAL A 43 6.103 -0.974 3.475 1.00 0.00 N ATOM 630 CA VAL A 43 7.457 -1.025 4.014 1.00 0.00 C ATOM 631 C VAL A 43 8.486 -0.658 2.950 1.00 0.00 C ATOM 632 O VAL A 43 8.244 -0.824 1.755 1.00 0.00 O ATOM 633 CB VAL A 43 7.787 -2.422 4.572 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.665 -3.475 3.482 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.180 -2.435 5.184 1.00 0.00 C ATOM 0 H VAL A 43 6.046 -1.105 2.465 1.00 0.00 H new ATOM 0 HA VAL A 43 7.502 -0.298 4.825 1.00 0.00 H new ATOM 0 HB VAL A 43 7.068 -2.660 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.902 -4.455 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.646 -3.481 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.359 -3.244 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.397 -3.430 5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.915 -2.175 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.228 -1.709 5.996 1.00 0.00 H new ATOM 645 N SER A 44 9.635 -0.159 3.394 1.00 0.00 N ATOM 646 CA SER A 44 10.701 0.235 2.480 1.00 0.00 C ATOM 647 C SER A 44 11.320 -0.988 1.809 1.00 0.00 C ATOM 648 O SER A 44 10.887 -2.118 2.032 1.00 0.00 O ATOM 649 CB SER A 44 11.780 1.020 3.229 1.00 0.00 C ATOM 650 OG SER A 44 12.436 0.202 4.183 1.00 0.00 O ATOM 0 H SER A 44 9.852 -0.018 4.381 1.00 0.00 H new ATOM 0 HA SER A 44 10.268 0.872 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.508 1.412 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.329 1.877 3.729 1.00 0.00 H new ATOM 0 HG SER A 44 13.122 0.726 4.647 1.00 0.00 H new ATOM 714 N SER A 50 8.509 1.425 7.990 1.00 0.00 N ATOM 715 CA SER A 50 7.277 0.740 7.615 1.00 0.00 C ATOM 716 C SER A 50 6.057 1.494 8.137 1.00 0.00 C ATOM 717 O SER A 50 6.181 2.420 8.937 1.00 0.00 O ATOM 718 CB SER A 50 7.278 -0.690 8.159 1.00 0.00 C ATOM 719 OG SER A 50 8.597 -1.199 8.252 1.00 0.00 O ATOM 0 HA SER A 50 7.225 0.707 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.807 -0.709 9.142 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.683 -1.330 7.508 1.00 0.00 H new ATOM 0 HG SER A 50 9.234 -0.455 8.279 1.00 0.00 H new ATOM 725 N GLY A 51 4.877 1.088 7.677 1.00 0.00 N ATOM 726 CA GLY A 51 3.651 1.735 8.107 1.00 0.00 C ATOM 727 C GLY A 51 2.450 0.814 8.024 1.00 0.00 C ATOM 728 O GLY A 51 2.531 -0.272 7.450 1.00 0.00 O ATOM 0 H GLY A 51 4.748 0.323 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.768 2.083 9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.473 2.616 7.490 1.00 0.00 H new ATOM 732 N GLN A 52 1.334 1.247 8.601 1.00 0.00 N ATOM 733 CA GLN A 52 0.112 0.451 8.592 1.00 0.00 C ATOM 734 C GLN A 52 -1.111 1.328 8.844 1.00 0.00 C ATOM 735 O GLN A 52 -1.178 2.046 9.843 1.00 0.00 O ATOM 736 CB GLN A 52 0.189 -0.653 9.647 1.00 0.00 C ATOM 737 CG GLN A 52 -1.082 -1.481 9.756 1.00 0.00 C ATOM 738 CD GLN A 52 -1.043 -2.460 10.913 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.837 -2.362 11.850 1.00 0.00 O ATOM 740 NE2 GLN A 52 -0.119 -3.410 10.854 1.00 0.00 N ATOM 0 H GLN A 52 1.250 2.144 9.080 1.00 0.00 H new ATOM 0 HA GLN A 52 0.013 -0.005 7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.023 -1.313 9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.404 -0.203 10.616 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.936 -0.815 9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.235 -2.029 8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.518 -3.453 10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.046 -4.097 11.604 1.00 0.00 H new ATOM 749 N THR A 53 -2.076 1.265 7.932 1.00 0.00 N ATOM 750 CA THR A 53 -3.295 2.054 8.055 1.00 0.00 C ATOM 751 C THR A 53 -4.533 1.168 7.986 1.00 0.00 C ATOM 752 O THR A 53 -4.460 0.017 7.556 1.00 0.00 O ATOM 753 CB THR A 53 -3.384 3.127 6.953 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.593 3.880 7.099 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.341 2.489 5.573 1.00 0.00 C ATOM 0 H THR A 53 -2.037 0.676 7.100 1.00 0.00 H new ATOM 0 HA THR A 53 -3.256 2.545 9.028 1.00 0.00 H new ATOM 0 HB THR A 53 -2.527 3.793 7.055 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.641 4.561 6.396 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.405 3.266 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.406 1.941 5.455 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.181 1.803 5.463 1.00 0.00 H new ATOM 763 N GLU A 54 -5.669 1.711 8.412 1.00 0.00 N ATOM 764 CA GLU A 54 -6.924 0.967 8.398 1.00 0.00 C ATOM 765 C GLU A 54 -7.962 1.667 7.526 1.00 0.00 C ATOM 766 O GLU A 54 -8.017 2.896 7.473 1.00 0.00 O ATOM 767 CB GLU A 54 -7.462 0.805 9.821 1.00 0.00 C ATOM 768 CG GLU A 54 -6.663 -0.172 10.667 1.00 0.00 C ATOM 769 CD GLU A 54 -5.329 0.396 11.111 1.00 0.00 C ATOM 770 OE1 GLU A 54 -5.298 1.568 11.542 1.00 0.00 O ATOM 771 OE2 GLU A 54 -4.317 -0.330 11.027 1.00 0.00 O ATOM 0 H GLU A 54 -5.747 2.663 8.771 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.728 -0.019 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.466 1.778 10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.497 0.468 9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.247 -0.448 11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.493 -1.086 10.097 1.00 0.00 H new ATOM 778 N ALA A 55 -8.783 0.876 6.843 1.00 0.00 N ATOM 779 CA ALA A 55 -9.820 1.419 5.975 1.00 0.00 C ATOM 780 C ALA A 55 -11.042 0.508 5.944 1.00 0.00 C ATOM 781 O ALA A 55 -10.949 -0.703 6.143 1.00 0.00 O ATOM 782 CB ALA A 55 -9.277 1.624 4.568 1.00 0.00 C ATOM 0 H ALA A 55 -8.750 -0.143 6.874 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.128 2.384 6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.062 2.030 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.439 2.320 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.940 0.669 4.165 1.00 0.00 H new ATOM 788 N PRO A 56 -12.218 1.102 5.689 1.00 0.00 N ATOM 789 CA PRO A 56 -13.482 0.362 5.626 1.00 0.00 C ATOM 790 C PRO A 56 -13.563 -0.544 4.402 1.00 0.00 C ATOM 791 O PRO A 56 -12.867 -0.328 3.411 1.00 0.00 O ATOM 792 CB PRO A 56 -14.537 1.468 5.543 1.00 0.00 C ATOM 793 CG PRO A 56 -13.820 2.631 4.947 1.00 0.00 C ATOM 794 CD PRO A 56 -12.403 2.542 5.441 1.00 0.00 C ATOM 0 HA PRO A 56 -13.608 -0.303 6.481 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.381 1.164 4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.935 1.711 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.857 2.596 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.281 3.571 5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.695 2.917 4.701 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.256 3.128 6.348 1.00 0.00 H new ATOM 802 N GLY A 57 -14.417 -1.560 4.479 1.00 0.00 N ATOM 803 CA GLY A 57 -14.573 -2.483 3.371 1.00 0.00 C ATOM 804 C GLY A 57 -15.013 -1.791 2.096 1.00 0.00 C ATOM 805 O GLY A 57 -14.869 -2.337 1.004 1.00 0.00 O ATOM 0 H GLY A 57 -15.003 -1.760 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.628 -2.996 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.305 -3.245 3.638 1.00 0.00 H new ATOM 809 N ASN A 58 -15.553 -0.584 2.237 1.00 0.00 N ATOM 810 CA ASN A 58 -16.018 0.183 1.087 1.00 0.00 C ATOM 811 C ASN A 58 -14.888 1.025 0.502 1.00 0.00 C ATOM 812 O ASN A 58 -14.980 1.509 -0.626 1.00 0.00 O ATOM 813 CB ASN A 58 -17.186 1.087 1.489 1.00 0.00 C ATOM 814 CG ASN A 58 -17.094 1.542 2.932 1.00 0.00 C ATOM 815 OD1 ASN A 58 -17.852 1.085 3.788 1.00 0.00 O ATOM 816 ND2 ASN A 58 -16.163 2.448 3.209 1.00 0.00 N ATOM 0 H ASN A 58 -15.679 -0.117 3.135 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.356 -0.520 0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.208 1.960 0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.124 0.553 1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.055 2.793 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.556 2.799 2.468 1.00 0.00 H new ATOM 823 N ALA A 59 -13.821 1.193 1.276 1.00 0.00 N ATOM 824 CA ALA A 59 -12.672 1.973 0.834 1.00 0.00 C ATOM 825 C ALA A 59 -11.805 1.174 -0.133 1.00 0.00 C ATOM 826 O ALA A 59 -11.206 0.165 0.241 1.00 0.00 O ATOM 827 CB ALA A 59 -11.850 2.427 2.031 1.00 0.00 C ATOM 0 H ALA A 59 -13.729 0.799 2.212 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.042 2.852 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.995 3.008 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.468 3.043 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.497 1.555 2.582 1.00 0.00 H new ATOM 833 N THR A 60 -11.742 1.631 -1.380 1.00 0.00 N ATOM 834 CA THR A 60 -10.950 0.957 -2.401 1.00 0.00 C ATOM 835 C THR A 60 -9.732 1.787 -2.789 1.00 0.00 C ATOM 836 O THR A 60 -9.194 1.643 -3.887 1.00 0.00 O ATOM 837 CB THR A 60 -11.786 0.673 -3.664 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.284 1.900 -4.208 1.00 0.00 O ATOM 839 CG2 THR A 60 -12.949 -0.255 -3.345 1.00 0.00 C ATOM 0 H THR A 60 -12.230 2.465 -1.707 1.00 0.00 H new ATOM 0 HA THR A 60 -10.620 0.011 -1.971 1.00 0.00 H new ATOM 0 HB THR A 60 -11.143 0.186 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.813 1.711 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.525 -0.441 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.566 -1.199 -2.958 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.591 0.210 -2.597 1.00 0.00 H new ATOM 847 N SER A 61 -9.301 2.657 -1.881 1.00 0.00 N ATOM 848 CA SER A 61 -8.147 3.513 -2.129 1.00 0.00 C ATOM 849 C SER A 61 -7.697 4.204 -0.846 1.00 0.00 C ATOM 850 O SER A 61 -8.520 4.643 -0.043 1.00 0.00 O ATOM 851 CB SER A 61 -8.481 4.558 -3.195 1.00 0.00 C ATOM 852 OG SER A 61 -9.686 5.237 -2.884 1.00 0.00 O ATOM 0 H SER A 61 -9.734 2.788 -0.967 1.00 0.00 H new ATOM 0 HA SER A 61 -7.331 2.886 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.665 5.276 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.573 4.074 -4.167 1.00 0.00 H new ATOM 0 HG SER A 61 -9.876 5.901 -3.580 1.00 0.00 H new ATOM 858 N ALA A 62 -6.384 4.297 -0.660 1.00 0.00 N ATOM 859 CA ALA A 62 -5.824 4.936 0.524 1.00 0.00 C ATOM 860 C ALA A 62 -4.436 5.499 0.238 1.00 0.00 C ATOM 861 O ALA A 62 -3.712 4.988 -0.616 1.00 0.00 O ATOM 862 CB ALA A 62 -5.767 3.949 1.680 1.00 0.00 C ATOM 0 H ALA A 62 -5.689 3.938 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.475 5.765 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.347 4.440 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.773 3.597 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.140 3.101 1.404 1.00 0.00 H new ATOM 868 N MET A 63 -4.071 6.556 0.958 1.00 0.00 N ATOM 869 CA MET A 63 -2.769 7.187 0.781 1.00 0.00 C ATOM 870 C MET A 63 -1.748 6.610 1.756 1.00 0.00 C ATOM 871 O MET A 63 -2.111 6.016 2.772 1.00 0.00 O ATOM 872 CB MET A 63 -2.881 8.700 0.978 1.00 0.00 C ATOM 873 CG MET A 63 -3.555 9.416 -0.181 1.00 0.00 C ATOM 874 SD MET A 63 -2.961 11.106 -0.393 1.00 0.00 S ATOM 875 CE MET A 63 -1.433 10.818 -1.283 1.00 0.00 C ATOM 0 H MET A 63 -4.659 6.992 1.668 1.00 0.00 H new ATOM 0 HA MET A 63 -2.430 6.984 -0.235 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.441 8.899 1.892 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.883 9.115 1.119 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.381 8.856 -1.100 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.632 9.432 -0.016 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.946 11.771 -1.489 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.772 10.196 -0.679 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.650 10.311 -2.223 1.00 0.00 H new ATOM 885 N LEU A 64 -0.469 6.788 1.441 1.00 0.00 N ATOM 886 CA LEU A 64 0.605 6.285 2.290 1.00 0.00 C ATOM 887 C LEU A 64 1.695 7.336 2.471 1.00 0.00 C ATOM 888 O LEU A 64 1.964 8.128 1.568 1.00 0.00 O ATOM 889 CB LEU A 64 1.203 5.012 1.687 1.00 0.00 C ATOM 890 CG LEU A 64 0.206 3.920 1.298 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.897 2.828 0.497 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.457 3.337 2.538 1.00 0.00 C ATOM 0 H LEU A 64 -0.151 7.277 0.604 1.00 0.00 H new ATOM 0 HA LEU A 64 0.184 6.054 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.774 5.288 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.910 4.592 2.403 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.568 4.366 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.172 2.059 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.324 3.257 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.691 2.384 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.163 2.561 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.304 2.906 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.987 4.126 3.072 1.00 0.00 H new ATOM 904 N GLY A 65 2.321 7.337 3.644 1.00 0.00 N ATOM 905 CA GLY A 65 3.376 8.294 3.921 1.00 0.00 C ATOM 906 C GLY A 65 3.417 8.705 5.379 1.00 0.00 C ATOM 907 O GLY A 65 2.578 8.301 6.184 1.00 0.00 O ATOM 0 H GLY A 65 2.116 6.692 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.337 7.862 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.232 9.179 3.301 1.00 0.00 H new ATOM 911 N PRO A 66 4.415 9.527 5.739 1.00 0.00 N ATOM 912 CA PRO A 66 5.420 10.014 4.789 1.00 0.00 C ATOM 913 C PRO A 66 6.364 8.910 4.328 1.00 0.00 C ATOM 914 O PRO A 66 6.939 8.188 5.144 1.00 0.00 O ATOM 915 CB PRO A 66 6.184 11.070 5.592 1.00 0.00 C ATOM 916 CG PRO A 66 6.004 10.667 7.015 1.00 0.00 C ATOM 917 CD PRO A 66 4.638 10.043 7.100 1.00 0.00 C ATOM 0 HA PRO A 66 4.966 10.399 3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.238 11.090 5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.788 12.069 5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.775 9.960 7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.081 11.529 7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.606 9.246 7.843 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.879 10.773 7.383 1.00 0.00 H new ATOM 925 N LEU A 67 6.521 8.782 3.015 1.00 0.00 N ATOM 926 CA LEU A 67 7.398 7.765 2.444 1.00 0.00 C ATOM 927 C LEU A 67 8.731 8.372 2.018 1.00 0.00 C ATOM 928 O LEU A 67 8.979 9.559 2.227 1.00 0.00 O ATOM 929 CB LEU A 67 6.722 7.096 1.246 1.00 0.00 C ATOM 930 CG LEU A 67 5.263 6.685 1.441 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.686 6.132 0.147 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.142 5.661 2.561 1.00 0.00 C ATOM 0 H LEU A 67 6.052 9.370 2.325 1.00 0.00 H new ATOM 0 HA LEU A 67 7.591 7.014 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.776 7.777 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.296 6.208 0.980 1.00 0.00 H new ATOM 0 HG LEU A 67 4.691 7.570 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.647 5.845 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.737 6.895 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.260 5.259 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.096 5.380 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.728 4.777 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.515 6.092 3.490 1.00 0.00 H new ATOM 944 N SER A 68 9.584 7.549 1.417 1.00 0.00 N ATOM 945 CA SER A 68 10.893 8.004 0.962 1.00 0.00 C ATOM 946 C SER A 68 10.864 8.340 -0.525 1.00 0.00 C ATOM 947 O SER A 68 9.855 8.137 -1.200 1.00 0.00 O ATOM 948 CB SER A 68 11.951 6.933 1.234 1.00 0.00 C ATOM 949 OG SER A 68 12.532 7.103 2.516 1.00 0.00 O ATOM 0 H SER A 68 9.393 6.564 1.234 1.00 0.00 H new ATOM 0 HA SER A 68 11.150 8.907 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.498 5.944 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.727 6.982 0.470 1.00 0.00 H new ATOM 0 HG SER A 68 13.203 6.405 2.666 1.00 0.00 H new ATOM 955 N SER A 69 11.980 8.857 -1.031 1.00 0.00 N ATOM 956 CA SER A 69 12.083 9.226 -2.438 1.00 0.00 C ATOM 957 C SER A 69 12.936 8.218 -3.203 1.00 0.00 C ATOM 958 O SER A 69 13.813 7.570 -2.632 1.00 0.00 O ATOM 959 CB SER A 69 12.682 10.627 -2.577 1.00 0.00 C ATOM 960 OG SER A 69 13.892 10.739 -1.847 1.00 0.00 O ATOM 0 H SER A 69 12.825 9.030 -0.487 1.00 0.00 H new ATOM 0 HA SER A 69 11.079 9.224 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.867 10.844 -3.629 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.968 11.369 -2.219 1.00 0.00 H new ATOM 0 HG SER A 69 14.256 11.643 -1.953 1.00 0.00 H new ATOM 966 N SER A 70 12.670 8.091 -4.499 1.00 0.00 N ATOM 967 CA SER A 70 13.409 7.159 -5.343 1.00 0.00 C ATOM 968 C SER A 70 13.611 5.825 -4.632 1.00 0.00 C ATOM 969 O SER A 70 14.613 5.140 -4.843 1.00 0.00 O ATOM 970 CB SER A 70 14.764 7.754 -5.730 1.00 0.00 C ATOM 971 OG SER A 70 15.482 6.877 -6.581 1.00 0.00 O ATOM 0 H SER A 70 11.949 8.621 -4.987 1.00 0.00 H new ATOM 0 HA SER A 70 12.825 6.984 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.615 8.711 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.348 7.952 -4.831 1.00 0.00 H new ATOM 0 HG SER A 70 15.438 5.966 -6.224 1.00 0.00 H new ATOM 977 N THR A 71 12.652 5.461 -3.786 1.00 0.00 N ATOM 978 CA THR A 71 12.724 4.210 -3.041 1.00 0.00 C ATOM 979 C THR A 71 11.460 3.381 -3.236 1.00 0.00 C ATOM 980 O THR A 71 10.347 3.906 -3.192 1.00 0.00 O ATOM 981 CB THR A 71 12.932 4.463 -1.536 1.00 0.00 C ATOM 982 OG1 THR A 71 14.134 5.211 -1.326 1.00 0.00 O ATOM 983 CG2 THR A 71 13.006 3.149 -0.772 1.00 0.00 C ATOM 0 H THR A 71 11.816 6.015 -3.600 1.00 0.00 H new ATOM 0 HA THR A 71 13.580 3.659 -3.430 1.00 0.00 H new ATOM 0 HB THR A 71 12.081 5.034 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.106 6.032 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.153 3.353 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.077 2.595 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.841 2.557 -1.147 1.00 0.00 H new ATOM 991 N THR A 72 11.637 2.081 -3.452 1.00 0.00 N ATOM 992 CA THR A 72 10.510 1.179 -3.655 1.00 0.00 C ATOM 993 C THR A 72 9.881 0.778 -2.325 1.00 0.00 C ATOM 994 O THR A 72 10.585 0.474 -1.361 1.00 0.00 O ATOM 995 CB THR A 72 10.938 -0.093 -4.411 1.00 0.00 C ATOM 996 OG1 THR A 72 11.595 0.262 -5.633 1.00 0.00 O ATOM 997 CG2 THR A 72 9.734 -0.972 -4.714 1.00 0.00 C ATOM 0 H THR A 72 12.551 1.629 -3.491 1.00 0.00 H new ATOM 0 HA THR A 72 9.776 1.719 -4.253 1.00 0.00 H new ATOM 0 HB THR A 72 11.627 -0.652 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.974 0.759 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.060 -1.864 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.252 -1.264 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.026 -0.419 -5.331 1.00 0.00 H new ATOM 1005 N TYR A 73 8.554 0.780 -2.280 1.00 0.00 N ATOM 1006 CA TYR A 73 7.830 0.419 -1.067 1.00 0.00 C ATOM 1007 C TYR A 73 6.910 -0.773 -1.316 1.00 0.00 C ATOM 1008 O TYR A 73 6.098 -0.763 -2.242 1.00 0.00 O ATOM 1009 CB TYR A 73 7.014 1.609 -0.560 1.00 0.00 C ATOM 1010 CG TYR A 73 7.798 2.543 0.334 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.634 3.514 -0.205 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.703 2.456 1.717 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.353 4.369 0.608 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.417 3.308 2.537 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.240 4.263 1.978 1.00 0.00 C ATOM 1016 OH TYR A 73 9.954 5.112 2.792 1.00 0.00 O ATOM 0 H TYR A 73 7.957 1.028 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 73 8.561 0.139 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.635 2.170 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.147 1.238 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.723 3.602 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.060 1.709 2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.000 5.116 0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.331 3.227 3.611 1.00 0.00 H new ATOM 0 HH TYR A 73 9.760 4.905 3.730 1.00 0.00 H new ATOM 1026 N THR A 74 7.044 -1.800 -0.483 1.00 0.00 N ATOM 1027 CA THR A 74 6.227 -3.000 -0.612 1.00 0.00 C ATOM 1028 C THR A 74 4.880 -2.825 0.080 1.00 0.00 C ATOM 1029 O THR A 74 4.768 -2.990 1.294 1.00 0.00 O ATOM 1030 CB THR A 74 6.939 -4.231 -0.019 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.284 -4.300 -0.504 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.199 -5.510 -0.379 1.00 0.00 C ATOM 0 H THR A 74 7.711 -1.825 0.288 1.00 0.00 H new ATOM 0 HA THR A 74 6.067 -3.160 -1.678 1.00 0.00 H new ATOM 0 HB THR A 74 6.949 -4.129 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.730 -5.084 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.720 -6.365 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.184 -5.467 0.017 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.161 -5.615 -1.463 1.00 0.00 H new ATOM 1040 N VAL A 75 3.858 -2.489 -0.702 1.00 0.00 N ATOM 1041 CA VAL A 75 2.517 -2.293 -0.164 1.00 0.00 C ATOM 1042 C VAL A 75 1.767 -3.616 -0.062 1.00 0.00 C ATOM 1043 O VAL A 75 2.022 -4.547 -0.826 1.00 0.00 O ATOM 1044 CB VAL A 75 1.701 -1.319 -1.035 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.289 -1.170 -0.489 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.395 0.032 -1.117 1.00 0.00 C ATOM 0 H VAL A 75 3.933 -2.347 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 75 2.634 -1.868 0.833 1.00 0.00 H new ATOM 0 HB VAL A 75 1.634 -1.729 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.273 -0.478 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.205 -2.142 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.332 -0.783 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.805 0.707 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.495 0.451 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.384 -0.093 -1.558 1.00 0.00 H new ATOM 1056 N ARG A 76 0.841 -3.693 0.888 1.00 0.00 N ATOM 1057 CA ARG A 76 0.054 -4.903 1.092 1.00 0.00 C ATOM 1058 C ARG A 76 -1.318 -4.569 1.671 1.00 0.00 C ATOM 1059 O ARG A 76 -1.438 -4.203 2.840 1.00 0.00 O ATOM 1060 CB ARG A 76 0.792 -5.866 2.024 1.00 0.00 C ATOM 1061 CG ARG A 76 1.690 -6.852 1.294 1.00 0.00 C ATOM 1062 CD ARG A 76 2.889 -7.246 2.142 1.00 0.00 C ATOM 1063 NE ARG A 76 2.494 -7.982 3.340 1.00 0.00 N ATOM 1064 CZ ARG A 76 2.106 -9.252 3.327 1.00 0.00 C ATOM 1065 NH1 ARG A 76 2.061 -9.924 2.184 1.00 0.00 N ATOM 1066 NH2 ARG A 76 1.762 -9.854 4.459 1.00 0.00 N ATOM 0 H ARG A 76 0.617 -2.932 1.529 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.087 -5.382 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.395 -5.289 2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.061 -6.420 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.118 -7.743 1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.034 -6.410 0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.568 -7.858 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.438 -6.350 2.432 1.00 0.00 H new ATOM 0 HE ARG A 76 2.517 -7.494 4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.325 -9.465 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.763 -10.899 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.796 -9.341 5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.464 -10.829 4.448 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.351 -4.696 0.844 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.714 -4.408 1.273 1.00 0.00 C ATOM 1082 C VAL A 77 -4.373 -5.644 1.875 1.00 0.00 C ATOM 1083 O VAL A 77 -5.038 -6.409 1.177 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.575 -3.899 0.102 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -6.007 -3.658 0.557 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.975 -2.633 -0.490 1.00 0.00 C ATOM 0 H VAL A 77 -2.269 -4.997 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.649 -3.628 2.032 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.590 -4.664 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.600 -3.299 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.432 -4.590 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.016 -2.912 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.597 -2.288 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.928 -1.860 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.970 -2.843 -0.855 1.00 0.00 H new ATOM 1096 N THR A 78 -4.185 -5.833 3.177 1.00 0.00 N ATOM 1097 CA THR A 78 -4.760 -6.976 3.875 1.00 0.00 C ATOM 1098 C THR A 78 -6.241 -6.756 4.163 1.00 0.00 C ATOM 1099 O THR A 78 -6.601 -6.052 5.108 1.00 0.00 O ATOM 1100 CB THR A 78 -4.026 -7.254 5.200 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.610 -7.229 4.990 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.436 -8.602 5.773 1.00 0.00 C ATOM 0 H THR A 78 -3.638 -5.209 3.770 1.00 0.00 H new ATOM 0 HA THR A 78 -4.645 -7.838 3.218 1.00 0.00 H new ATOM 0 HB THR A 78 -4.300 -6.476 5.912 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.150 -7.405 5.838 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.905 -8.776 6.709 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.510 -8.607 5.959 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.188 -9.390 5.062 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.095 -7.361 3.345 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.538 -7.231 3.513 1.00 0.00 C ATOM 1112 C CYS A 79 -9.085 -8.344 4.401 1.00 0.00 C ATOM 1113 O CYS A 79 -9.099 -9.512 4.012 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.235 -7.258 2.152 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.887 -5.818 1.116 1.00 0.00 S ATOM 0 H CYS A 79 -6.813 -7.946 2.559 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.738 -6.275 3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.931 -8.158 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.311 -7.328 2.308 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.519 -5.934 -0.014 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.533 -7.974 5.596 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.080 -8.941 6.541 1.00 0.00 C ATOM 1123 C LEU A 80 -11.560 -9.190 6.270 1.00 0.00 C ATOM 1124 O LEU A 80 -12.356 -8.253 6.203 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.888 -8.446 7.976 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.542 -8.771 8.624 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.273 -10.267 8.576 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.421 -8.004 7.937 1.00 0.00 C ATOM 0 H LEU A 80 -9.528 -7.011 5.933 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.543 -9.881 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.022 -7.364 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.678 -8.871 8.595 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.580 -8.463 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.311 -10.479 9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.060 -10.796 9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.255 -10.600 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.470 -8.247 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.383 -8.281 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.606 -6.933 8.024 1.00 0.00 H new ATOM 1140 N TYR A 81 -11.923 -10.459 6.117 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.308 -10.831 5.853 1.00 0.00 C ATOM 1142 C TYR A 81 -14.076 -11.029 7.156 1.00 0.00 C ATOM 1143 O TYR A 81 -13.525 -11.446 8.175 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.363 -12.110 5.016 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.771 -11.955 3.633 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -12.327 -10.719 3.181 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.654 -13.046 2.780 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -11.786 -10.573 1.918 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -12.113 -12.909 1.516 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.681 -11.671 1.090 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.141 -11.530 -0.168 1.00 0.00 O ATOM 0 H TYR A 81 -11.278 -11.247 6.171 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.776 -10.020 5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -12.831 -12.902 5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.401 -12.430 4.924 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.406 -9.858 3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.992 -14.017 3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.447 -9.604 1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -12.029 -13.767 0.865 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.701 -12.365 -0.431 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.382 -10.724 7.124 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.256 -10.861 8.293 1.00 0.00 C ATOM 1163 C PRO A 82 -16.506 -12.319 8.662 1.00 0.00 C ATOM 1164 O PRO A 82 -17.134 -12.613 9.678 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.557 -10.192 7.842 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.548 -10.308 6.357 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.105 -10.221 5.944 1.00 0.00 C ATOM 0 HA PRO A 82 -15.818 -10.414 9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.427 -10.688 8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.596 -9.149 8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -17.989 -11.252 6.037 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.134 -9.511 5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -15.903 -10.826 5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.817 -9.198 5.702 1.00 0.00 H new ATOM 1207 N SER A 87 -7.637 -11.531 2.129 1.00 0.00 N ATOM 1208 CA SER A 87 -6.876 -11.353 0.898 1.00 0.00 C ATOM 1209 C SER A 87 -5.789 -10.298 1.079 1.00 0.00 C ATOM 1210 O SER A 87 -6.054 -9.188 1.542 1.00 0.00 O ATOM 1211 CB SER A 87 -7.807 -10.951 -0.248 1.00 0.00 C ATOM 1212 OG SER A 87 -8.256 -9.615 -0.095 1.00 0.00 O ATOM 0 HA SER A 87 -6.399 -12.302 0.654 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.285 -11.056 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.663 -11.625 -0.279 1.00 0.00 H new ATOM 0 HG SER A 87 -8.848 -9.381 -0.840 1.00 0.00 H new ATOM 1218 N THR A 88 -4.562 -10.653 0.711 1.00 0.00 N ATOM 1219 CA THR A 88 -3.433 -9.739 0.833 1.00 0.00 C ATOM 1220 C THR A 88 -2.869 -9.375 -0.535 1.00 0.00 C ATOM 1221 O THR A 88 -2.130 -10.153 -1.140 1.00 0.00 O ATOM 1222 CB THR A 88 -2.309 -10.347 1.694 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.857 -10.901 2.895 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.267 -9.295 2.044 1.00 0.00 C ATOM 0 H THR A 88 -4.325 -11.567 0.326 1.00 0.00 H new ATOM 0 HA THR A 88 -3.807 -8.838 1.319 1.00 0.00 H new ATOM 0 HB THR A 88 -1.826 -11.136 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.136 -11.287 3.436 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.483 -9.747 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.831 -8.896 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.739 -8.487 2.603 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.221 -8.189 -1.019 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.749 -7.721 -2.317 1.00 0.00 C ATOM 1234 C LEU A 89 -1.410 -7.004 -2.184 1.00 0.00 C ATOM 1235 O LEU A 89 -1.345 -5.870 -1.708 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.781 -6.786 -2.950 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.945 -7.463 -3.675 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.145 -6.531 -3.744 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.524 -7.898 -5.071 1.00 0.00 C ATOM 0 H LEU A 89 -3.832 -7.534 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.612 -8.590 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.189 -6.146 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.267 -6.136 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.232 -8.351 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.964 -7.030 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.461 -6.270 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.871 -5.625 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.365 -8.378 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.210 -7.026 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.695 -8.602 -4.998 1.00 0.00 H new ATOM 1251 N THR A 90 -0.342 -7.671 -2.609 1.00 0.00 N ATOM 1252 CA THR A 90 0.996 -7.097 -2.538 1.00 0.00 C ATOM 1253 C THR A 90 1.311 -6.281 -3.786 1.00 0.00 C ATOM 1254 O THR A 90 1.129 -6.750 -4.908 1.00 0.00 O ATOM 1255 CB THR A 90 2.068 -8.191 -2.369 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.383 -8.768 -3.641 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.588 -9.277 -1.419 1.00 0.00 C ATOM 0 H THR A 90 -0.377 -8.610 -3.006 1.00 0.00 H new ATOM 0 HA THR A 90 1.014 -6.443 -1.666 1.00 0.00 H new ATOM 0 HB THR A 90 2.962 -7.731 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.737 -8.458 -4.310 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.362 -10.038 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.377 -8.840 -0.443 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.681 -9.733 -1.816 1.00 0.00 H new ATOM 1265 N GLY A 91 1.785 -5.055 -3.582 1.00 0.00 N ATOM 1266 CA GLY A 91 2.119 -4.193 -4.701 1.00 0.00 C ATOM 1267 C GLY A 91 3.346 -3.345 -4.433 1.00 0.00 C ATOM 1268 O GLY A 91 3.427 -2.663 -3.412 1.00 0.00 O ATOM 0 H GLY A 91 1.943 -4.644 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.290 -4.804 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.272 -3.542 -4.920 1.00 0.00 H new ATOM 1272 N ARG A 92 4.305 -3.388 -5.352 1.00 0.00 N ATOM 1273 CA ARG A 92 5.536 -2.620 -5.209 1.00 0.00 C ATOM 1274 C ARG A 92 5.460 -1.319 -6.003 1.00 0.00 C ATOM 1275 O ARG A 92 5.240 -1.330 -7.214 1.00 0.00 O ATOM 1276 CB ARG A 92 6.735 -3.446 -5.677 1.00 0.00 C ATOM 1277 CG ARG A 92 7.026 -4.651 -4.797 1.00 0.00 C ATOM 1278 CD ARG A 92 8.448 -5.153 -4.991 1.00 0.00 C ATOM 1279 NE ARG A 92 8.558 -6.054 -6.135 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.541 -6.936 -6.283 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.493 -7.033 -5.365 1.00 0.00 N ATOM 1282 NH2 ARG A 92 9.573 -7.722 -7.352 1.00 0.00 N ATOM 0 H ARG A 92 4.253 -3.947 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 92 5.662 -2.375 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.555 -3.787 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.617 -2.806 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.873 -4.384 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.322 -5.450 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.116 -4.304 -5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.776 -5.670 -4.089 1.00 0.00 H new ATOM 0 HE ARG A 92 7.842 -6.004 -6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.472 -6.430 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.246 -7.711 -5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.843 -7.649 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.328 -8.399 -7.465 1.00 0.00 H new ATOM 1296 N VAL A 93 5.643 -0.198 -5.312 1.00 0.00 N ATOM 1297 CA VAL A 93 5.596 1.111 -5.952 1.00 0.00 C ATOM 1298 C VAL A 93 6.862 1.909 -5.664 1.00 0.00 C ATOM 1299 O VAL A 93 7.368 1.910 -4.541 1.00 0.00 O ATOM 1300 CB VAL A 93 4.373 1.922 -5.482 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.490 2.256 -4.003 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.222 3.187 -6.313 1.00 0.00 C ATOM 0 H VAL A 93 5.825 -0.170 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 93 5.516 0.936 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 93 3.479 1.314 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.617 2.829 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.546 1.334 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.391 2.845 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.353 3.748 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.116 3.801 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.088 2.920 -7.361 1.00 0.00 H new ATOM 1312 N THR A 94 7.371 2.590 -6.686 1.00 0.00 N ATOM 1313 CA THR A 94 8.580 3.393 -6.543 1.00 0.00 C ATOM 1314 C THR A 94 8.241 4.867 -6.356 1.00 0.00 C ATOM 1315 O THR A 94 7.687 5.507 -7.250 1.00 0.00 O ATOM 1316 CB THR A 94 9.502 3.241 -7.767 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.878 1.869 -7.931 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.750 4.099 -7.614 1.00 0.00 C ATOM 0 H THR A 94 6.965 2.602 -7.622 1.00 0.00 H new ATOM 0 HA THR A 94 9.100 3.028 -5.658 1.00 0.00 H new ATOM 0 HB THR A 94 8.956 3.575 -8.649 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.463 1.781 -8.712 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.386 3.975 -8.490 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.462 5.146 -7.519 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.296 3.791 -6.723 1.00 0.00 H new ATOM 1326 N THR A 95 8.578 5.403 -5.187 1.00 0.00 N ATOM 1327 CA THR A 95 8.310 6.803 -4.882 1.00 0.00 C ATOM 1328 C THR A 95 9.086 7.727 -5.812 1.00 0.00 C ATOM 1329 O THR A 95 10.170 7.383 -6.284 1.00 0.00 O ATOM 1330 CB THR A 95 8.672 7.139 -3.423 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.946 6.575 -3.092 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.614 6.611 -2.466 1.00 0.00 C ATOM 0 H THR A 95 9.037 4.888 -4.436 1.00 0.00 H new ATOM 0 HA THR A 95 7.241 6.959 -5.029 1.00 0.00 H new ATOM 0 HB THR A 95 8.718 8.224 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.101 6.661 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.892 6.861 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.651 7.065 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.539 5.528 -2.568 1.00 0.00 H new ATOM 1340 N LYS A 96 8.525 8.903 -6.073 1.00 0.00 N ATOM 1341 CA LYS A 96 9.165 9.880 -6.947 1.00 0.00 C ATOM 1342 C LYS A 96 10.413 10.462 -6.290 1.00 0.00 C ATOM 1343 O LYS A 96 10.694 10.194 -5.121 1.00 0.00 O ATOM 1344 CB LYS A 96 8.186 11.004 -7.293 1.00 0.00 C ATOM 1345 CG LYS A 96 6.858 10.508 -7.837 1.00 0.00 C ATOM 1346 CD LYS A 96 6.185 11.556 -8.707 1.00 0.00 C ATOM 1347 CE LYS A 96 5.223 10.922 -9.700 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.341 11.936 -10.342 1.00 0.00 N ATOM 0 H LYS A 96 7.628 9.203 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 96 9.462 9.371 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.003 11.602 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.647 11.662 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.018 9.600 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.200 10.244 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.645 12.262 -8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.943 12.125 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.789 10.395 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.610 10.179 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.700 11.464 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.782 12.422 -9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.924 12.631 -10.851 1.00 0.00 H new ATOM 1362 N LYS A 97 11.157 11.261 -7.047 1.00 0.00 N ATOM 1363 CA LYS A 97 12.373 11.884 -6.539 1.00 0.00 C ATOM 1364 C LYS A 97 12.049 13.153 -5.759 1.00 0.00 C ATOM 1365 O LYS A 97 11.280 13.997 -6.219 1.00 0.00 O ATOM 1366 CB LYS A 97 13.324 12.210 -7.693 1.00 0.00 C ATOM 1367 CG LYS A 97 14.258 11.068 -8.053 1.00 0.00 C ATOM 1368 CD LYS A 97 14.857 11.253 -9.437 1.00 0.00 C ATOM 1369 CE LYS A 97 13.888 10.819 -10.526 1.00 0.00 C ATOM 1370 NZ LYS A 97 13.834 9.337 -10.663 1.00 0.00 N ATOM 0 H LYS A 97 10.939 11.493 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 97 12.859 11.179 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.737 12.479 -8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.918 13.084 -7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.058 11.004 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.713 10.125 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.124 12.300 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.778 10.675 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.892 11.199 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.188 11.261 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.201 9.084 -11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.788 8.971 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.474 8.920 -9.781 1.00 0.00 H new ATOM 1384 N ALA A 98 12.641 13.284 -4.576 1.00 0.00 N ATOM 1385 CA ALA A 98 12.418 14.452 -3.734 1.00 0.00 C ATOM 1386 C ALA A 98 13.293 15.621 -4.173 1.00 0.00 C ATOM 1387 O ALA A 98 14.395 15.442 -4.693 1.00 0.00 O ATOM 1388 CB ALA A 98 12.683 14.111 -2.276 1.00 0.00 C ATOM 0 H ALA A 98 13.279 12.594 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 98 11.376 14.752 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.512 14.993 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.011 13.313 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.716 13.782 -2.161 1.00 0.00 H new