USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 895 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 64 HIS : no HD1:sc= -0.353 K(o=-2.4,f=-3.6) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.0463 K(o=-2.4,f=-3) USER MOD Set 1.3: A 118 SER OG : rot 180:sc= -1.77! USER MOD Set 1.4: A 122 LYS NZ :NH3+ 170:sc= -0.318 (180deg=-0.851) USER MOD Single : A 13 THR OG1 : rot 180:sc= -4.1! USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= -1.11 (180deg=-2.97!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00348 X(o=-0.0035,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.652 K(o=-0.65,f=-0.12) USER MOD Single : A 21 ASN : amide:sc= -0.405 K(o=-0.41,f=-3.5!) USER MOD Single : A 23 THR OG1 : rot 105:sc= 1.18 USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= -0.0257 (180deg=-0.493) USER MOD Single : A 30 ASN : amide:sc= -0.37 K(o=-0.37,f=-0.99) USER MOD Single : A 34 MET CE :methyl -174:sc= -2.97 (180deg=-3.01!) USER MOD Single : A 38 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.3!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -107:sc= -1.08 (180deg=-2.31) USER MOD Single : A 57 SER OG : rot 180:sc= -0.853 USER MOD Single : A 58 SER OG : rot 180:sc=0.000663 USER MOD Single : A 59 MET CE :methyl 137:sc= -5.82! (180deg=-8.71!) USER MOD Single : A 61 LYS NZ :NH3+ -121:sc= -0.0515 (180deg=-0.617) USER MOD Single : A 63 CYS SG : rot 89:sc= -0.784 USER MOD Single : A 65 THR OG1 : rot -66:sc= -2.52! USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= -0.314 (180deg=-0.632) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.431) USER MOD Single : A 81 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 82 SER OG : rot -88:sc= 0.05! USER MOD Single : A 87 LYS NZ :NH3+ -111:sc= 0.371 (180deg=0) USER MOD Single : A 94 MET CE :methyl -166:sc= -0.851 (180deg=-2.09) USER MOD Single : A 96 THR OG1 : rot 88:sc= 0.289 USER MOD Single : A 98 MET CE :methyl 146:sc= -7.46! (180deg=-10.7!) USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0582) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -1.31! USER MOD Single : A 113 ASN : amide:sc= -3.31! C(o=-3.3!,f=-2.5!) USER MOD Single : A 120 THR OG1 : rot 91:sc= 0.204 USER MOD Single : A 123 SER OG : rot 106:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 8 8.524 -17.528 3.179 1.00 0.00 N ATOM 115 CA VAL A 8 9.423 -16.362 2.947 1.00 0.00 C ATOM 116 C VAL A 8 8.707 -15.333 2.086 1.00 0.00 C ATOM 117 O VAL A 8 8.701 -14.153 2.373 1.00 0.00 O ATOM 118 CB VAL A 8 10.649 -16.930 2.228 1.00 0.00 C ATOM 119 CG1 VAL A 8 11.400 -15.803 1.515 1.00 0.00 C ATOM 120 CG2 VAL A 8 11.578 -17.584 3.254 1.00 0.00 C ATOM 0 HA VAL A 8 9.710 -15.861 3.872 1.00 0.00 H new ATOM 0 HB VAL A 8 10.327 -17.670 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.272 -16.213 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.741 -15.331 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.723 -15.061 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.453 -17.990 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.895 -16.839 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.048 -18.389 3.763 1.00 0.00 H new ATOM 130 N PHE A 9 8.089 -15.784 1.045 1.00 0.00 N ATOM 131 CA PHE A 9 7.344 -14.847 0.159 1.00 0.00 C ATOM 132 C PHE A 9 6.327 -14.075 0.999 1.00 0.00 C ATOM 133 O PHE A 9 6.071 -12.910 0.774 1.00 0.00 O ATOM 134 CB PHE A 9 6.637 -15.735 -0.865 1.00 0.00 C ATOM 135 CG PHE A 9 7.519 -15.907 -2.079 1.00 0.00 C ATOM 136 CD1 PHE A 9 8.767 -16.530 -1.956 1.00 0.00 C ATOM 137 CD2 PHE A 9 7.088 -15.444 -3.327 1.00 0.00 C ATOM 138 CE1 PHE A 9 9.583 -16.691 -3.081 1.00 0.00 C ATOM 139 CE2 PHE A 9 7.904 -15.606 -4.454 1.00 0.00 C ATOM 140 CZ PHE A 9 9.152 -16.229 -4.330 1.00 0.00 C ATOM 0 H PHE A 9 8.063 -16.764 0.762 1.00 0.00 H new ATOM 0 HA PHE A 9 7.992 -14.120 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.412 -16.707 -0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.686 -15.288 -1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.100 -16.886 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.126 -14.962 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.545 -17.172 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.571 -15.251 -5.418 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.782 -16.353 -5.198 1.00 0.00 H new ATOM 150 N VAL A 10 5.756 -14.724 1.980 1.00 0.00 N ATOM 151 CA VAL A 10 4.764 -14.041 2.856 1.00 0.00 C ATOM 152 C VAL A 10 5.499 -13.224 3.921 1.00 0.00 C ATOM 153 O VAL A 10 5.134 -12.106 4.223 1.00 0.00 O ATOM 154 CB VAL A 10 3.963 -15.172 3.503 1.00 0.00 C ATOM 155 CG1 VAL A 10 3.068 -14.602 4.605 1.00 0.00 C ATOM 156 CG2 VAL A 10 3.093 -15.851 2.442 1.00 0.00 C ATOM 0 H VAL A 10 5.936 -15.701 2.211 1.00 0.00 H new ATOM 0 HA VAL A 10 4.120 -13.354 2.307 1.00 0.00 H new ATOM 0 HB VAL A 10 4.649 -15.901 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.498 -15.409 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.686 -14.118 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.382 -13.872 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.522 -16.657 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.408 -15.121 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.729 -16.259 1.657 1.00 0.00 H new ATOM 166 N ASP A 11 6.541 -13.770 4.486 1.00 0.00 N ATOM 167 CA ASP A 11 7.302 -13.014 5.520 1.00 0.00 C ATOM 168 C ASP A 11 7.778 -11.691 4.933 1.00 0.00 C ATOM 169 O ASP A 11 8.105 -10.756 5.638 1.00 0.00 O ATOM 170 CB ASP A 11 8.489 -13.910 5.876 1.00 0.00 C ATOM 171 CG ASP A 11 9.365 -13.208 6.916 1.00 0.00 C ATOM 172 OD1 ASP A 11 10.019 -12.244 6.556 1.00 0.00 O ATOM 173 OD2 ASP A 11 9.367 -13.648 8.054 1.00 0.00 O ATOM 0 H ASP A 11 6.897 -14.703 4.277 1.00 0.00 H new ATOM 0 HA ASP A 11 6.702 -12.780 6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.134 -14.863 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.073 -14.130 4.982 1.00 0.00 H new ATOM 178 N GLU A 12 7.807 -11.614 3.640 1.00 0.00 N ATOM 179 CA GLU A 12 8.247 -10.362 2.964 1.00 0.00 C ATOM 180 C GLU A 12 7.048 -9.435 2.745 1.00 0.00 C ATOM 181 O GLU A 12 7.151 -8.231 2.874 1.00 0.00 O ATOM 182 CB GLU A 12 8.819 -10.819 1.622 1.00 0.00 C ATOM 183 CG GLU A 12 10.199 -11.443 1.837 1.00 0.00 C ATOM 184 CD GLU A 12 10.617 -12.205 0.577 1.00 0.00 C ATOM 185 OE1 GLU A 12 9.963 -13.186 0.258 1.00 0.00 O ATOM 186 OE2 GLU A 12 11.581 -11.796 -0.047 1.00 0.00 O ATOM 0 H GLU A 12 7.542 -12.372 3.010 1.00 0.00 H new ATOM 0 HA GLU A 12 8.978 -9.808 3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.150 -11.543 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.894 -9.972 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.929 -10.667 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.175 -12.118 2.692 1.00 0.00 H new ATOM 193 N THR A 13 5.911 -9.988 2.411 1.00 0.00 N ATOM 194 CA THR A 13 4.708 -9.139 2.181 1.00 0.00 C ATOM 195 C THR A 13 4.304 -8.427 3.477 1.00 0.00 C ATOM 196 O THR A 13 3.827 -7.311 3.459 1.00 0.00 O ATOM 197 CB THR A 13 3.617 -10.113 1.705 1.00 0.00 C ATOM 198 OG1 THR A 13 2.705 -9.422 0.864 1.00 0.00 O ATOM 199 CG2 THR A 13 2.857 -10.703 2.898 1.00 0.00 C ATOM 0 H THR A 13 5.765 -10.990 2.288 1.00 0.00 H new ATOM 0 HA THR A 13 4.884 -8.353 1.446 1.00 0.00 H new ATOM 0 HB THR A 13 4.092 -10.927 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.009 -10.041 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.090 -11.389 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.552 -11.242 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.387 -9.899 3.464 1.00 0.00 H new ATOM 207 N LYS A 14 4.498 -9.058 4.603 1.00 0.00 N ATOM 208 CA LYS A 14 4.128 -8.407 5.895 1.00 0.00 C ATOM 209 C LYS A 14 5.217 -7.420 6.312 1.00 0.00 C ATOM 210 O LYS A 14 4.938 -6.315 6.731 1.00 0.00 O ATOM 211 CB LYS A 14 4.019 -9.553 6.902 1.00 0.00 C ATOM 212 CG LYS A 14 2.759 -10.370 6.609 1.00 0.00 C ATOM 213 CD LYS A 14 3.149 -11.820 6.320 1.00 0.00 C ATOM 214 CE LYS A 14 2.499 -12.740 7.356 1.00 0.00 C ATOM 215 NZ LYS A 14 3.552 -13.732 7.714 1.00 0.00 N ATOM 0 H LYS A 14 4.896 -9.994 4.686 1.00 0.00 H new ATOM 0 HA LYS A 14 3.198 -7.843 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.901 -10.190 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.981 -9.157 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.079 -10.328 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.229 -9.948 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.828 -12.101 5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.233 -11.929 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.173 -12.179 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.617 -13.233 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.285 -14.669 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.458 -13.443 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.649 -13.778 8.748 1.00 0.00 H new ATOM 229 N GLU A 15 6.457 -7.801 6.186 1.00 0.00 N ATOM 230 CA GLU A 15 7.553 -6.871 6.560 1.00 0.00 C ATOM 231 C GLU A 15 7.446 -5.613 5.706 1.00 0.00 C ATOM 232 O GLU A 15 7.908 -4.548 6.062 1.00 0.00 O ATOM 233 CB GLU A 15 8.841 -7.662 6.277 1.00 0.00 C ATOM 234 CG GLU A 15 9.483 -7.226 4.953 1.00 0.00 C ATOM 235 CD GLU A 15 10.857 -7.883 4.812 1.00 0.00 C ATOM 236 OE1 GLU A 15 11.122 -8.821 5.545 1.00 0.00 O ATOM 237 OE2 GLU A 15 11.622 -7.438 3.971 1.00 0.00 O ATOM 0 H GLU A 15 6.756 -8.713 5.841 1.00 0.00 H new ATOM 0 HA GLU A 15 7.522 -6.542 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.548 -7.513 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.615 -8.728 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.845 -7.510 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.582 -6.141 4.925 1.00 0.00 H new ATOM 244 N TYR A 16 6.831 -5.753 4.579 1.00 0.00 N ATOM 245 CA TYR A 16 6.663 -4.596 3.662 1.00 0.00 C ATOM 246 C TYR A 16 5.437 -3.772 4.056 1.00 0.00 C ATOM 247 O TYR A 16 5.424 -2.570 3.907 1.00 0.00 O ATOM 248 CB TYR A 16 6.487 -5.203 2.271 1.00 0.00 C ATOM 249 CG TYR A 16 7.470 -4.570 1.316 1.00 0.00 C ATOM 250 CD1 TYR A 16 7.705 -3.190 1.366 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.148 -5.361 0.381 1.00 0.00 C ATOM 252 CE1 TYR A 16 8.618 -2.603 0.482 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.062 -4.775 -0.502 1.00 0.00 C ATOM 254 CZ TYR A 16 9.296 -3.395 -0.452 1.00 0.00 C ATOM 255 OH TYR A 16 10.197 -2.818 -1.322 1.00 0.00 O ATOM 0 H TYR A 16 6.430 -6.629 4.244 1.00 0.00 H new ATOM 0 HA TYR A 16 7.517 -3.920 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.645 -6.281 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.468 -5.043 1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.182 -2.579 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.966 -6.425 0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.799 -1.539 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.586 -5.386 -1.221 1.00 0.00 H new ATOM 0 HH TYR A 16 10.579 -3.509 -1.903 1.00 0.00 H new ATOM 265 N LEU A 17 4.410 -4.394 4.568 1.00 0.00 N ATOM 266 CA LEU A 17 3.214 -3.602 4.976 1.00 0.00 C ATOM 267 C LEU A 17 3.622 -2.661 6.096 1.00 0.00 C ATOM 268 O LEU A 17 3.241 -1.507 6.134 1.00 0.00 O ATOM 269 CB LEU A 17 2.191 -4.622 5.472 1.00 0.00 C ATOM 270 CG LEU A 17 1.637 -5.393 4.281 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.795 -6.568 4.778 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.767 -4.460 3.435 1.00 0.00 C ATOM 0 H LEU A 17 4.346 -5.401 4.720 1.00 0.00 H new ATOM 0 HA LEU A 17 2.801 -3.005 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.657 -5.308 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.383 -4.117 6.002 1.00 0.00 H new ATOM 0 HG LEU A 17 2.461 -5.772 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.399 -7.119 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.415 -7.231 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.031 -6.194 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.369 -5.008 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.057 -4.083 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.369 -3.624 3.080 1.00 0.00 H new ATOM 284 N GLN A 18 4.427 -3.145 6.991 1.00 0.00 N ATOM 285 CA GLN A 18 4.909 -2.284 8.100 1.00 0.00 C ATOM 286 C GLN A 18 5.851 -1.260 7.505 1.00 0.00 C ATOM 287 O GLN A 18 5.721 -0.069 7.704 1.00 0.00 O ATOM 288 CB GLN A 18 5.610 -3.249 9.055 1.00 0.00 C ATOM 289 CG GLN A 18 7.085 -2.879 9.254 1.00 0.00 C ATOM 290 CD GLN A 18 7.673 -3.707 10.400 1.00 0.00 C ATOM 291 OE1 GLN A 18 8.514 -4.556 10.181 1.00 0.00 O ATOM 292 NE2 GLN A 18 7.262 -3.497 11.619 1.00 0.00 N ATOM 0 H GLN A 18 4.774 -4.104 7.004 1.00 0.00 H new ATOM 0 HA GLN A 18 4.131 -1.734 8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.100 -3.242 10.018 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.539 -4.264 8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.643 -3.062 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.177 -1.816 9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.556 -2.784 11.804 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.646 -4.045 12.388 1.00 0.00 H new ATOM 301 N ASN A 19 6.759 -1.731 6.724 1.00 0.00 N ATOM 302 CA ASN A 19 7.686 -0.808 6.039 1.00 0.00 C ATOM 303 C ASN A 19 6.839 0.099 5.159 1.00 0.00 C ATOM 304 O ASN A 19 7.210 1.205 4.817 1.00 0.00 O ATOM 305 CB ASN A 19 8.602 -1.705 5.203 1.00 0.00 C ATOM 306 CG ASN A 19 9.308 -0.868 4.137 1.00 0.00 C ATOM 307 OD1 ASN A 19 9.093 -1.059 2.957 1.00 0.00 O ATOM 308 ND2 ASN A 19 10.151 0.059 4.504 1.00 0.00 N ATOM 0 H ASN A 19 6.904 -2.721 6.526 1.00 0.00 H new ATOM 0 HA ASN A 19 8.280 -0.185 6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.338 -2.189 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.020 -2.497 4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.628 0.622 3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.332 0.220 5.495 1.00 0.00 H new ATOM 315 N LEU A 20 5.675 -0.375 4.822 1.00 0.00 N ATOM 316 CA LEU A 20 4.743 0.425 3.991 1.00 0.00 C ATOM 317 C LEU A 20 3.827 1.233 4.900 1.00 0.00 C ATOM 318 O LEU A 20 3.189 2.177 4.480 1.00 0.00 O ATOM 319 CB LEU A 20 3.951 -0.594 3.171 1.00 0.00 C ATOM 320 CG LEU A 20 2.697 0.069 2.596 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.103 1.158 1.604 1.00 0.00 C ATOM 322 CD2 LEU A 20 1.853 -0.985 1.874 1.00 0.00 C ATOM 0 H LEU A 20 5.327 -1.295 5.092 1.00 0.00 H new ATOM 0 HA LEU A 20 5.257 1.132 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.570 -0.985 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.671 -1.441 3.798 1.00 0.00 H new ATOM 0 HG LEU A 20 2.117 0.513 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.209 1.629 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.708 1.908 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.682 0.715 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.959 -0.516 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.436 -1.426 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.563 -1.764 2.579 1.00 0.00 H new ATOM 334 N ASN A 21 3.803 0.901 6.159 1.00 0.00 N ATOM 335 CA ASN A 21 2.986 1.678 7.107 1.00 0.00 C ATOM 336 C ASN A 21 3.901 2.726 7.668 1.00 0.00 C ATOM 337 O ASN A 21 3.511 3.826 7.995 1.00 0.00 O ATOM 338 CB ASN A 21 2.547 0.707 8.194 1.00 0.00 C ATOM 339 CG ASN A 21 1.065 0.366 8.012 1.00 0.00 C ATOM 340 OD1 ASN A 21 0.436 0.827 7.081 1.00 0.00 O ATOM 341 ND2 ASN A 21 0.480 -0.427 8.866 1.00 0.00 N ATOM 0 H ASN A 21 4.319 0.121 6.566 1.00 0.00 H new ATOM 0 HA ASN A 21 2.108 2.146 6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.148 -0.201 8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.711 1.148 9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.506 -0.660 8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.009 -0.814 9.648 1.00 0.00 H new ATOM 348 N ASP A 22 5.144 2.378 7.740 1.00 0.00 N ATOM 349 CA ASP A 22 6.138 3.333 8.240 1.00 0.00 C ATOM 350 C ASP A 22 6.262 4.432 7.207 1.00 0.00 C ATOM 351 O ASP A 22 6.484 5.590 7.504 1.00 0.00 O ATOM 352 CB ASP A 22 7.442 2.548 8.387 1.00 0.00 C ATOM 353 CG ASP A 22 7.724 2.300 9.869 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.942 1.600 10.492 1.00 0.00 O ATOM 355 OD2 ASP A 22 8.717 2.814 10.356 1.00 0.00 O ATOM 0 H ASP A 22 5.512 1.466 7.471 1.00 0.00 H new ATOM 0 HA ASP A 22 5.873 3.785 9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.369 1.599 7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.265 3.103 7.937 1.00 0.00 H new ATOM 360 N THR A 23 6.068 4.051 5.989 1.00 0.00 N ATOM 361 CA THR A 23 6.107 5.016 4.868 1.00 0.00 C ATOM 362 C THR A 23 4.829 5.840 4.906 1.00 0.00 C ATOM 363 O THR A 23 4.838 7.046 4.755 1.00 0.00 O ATOM 364 CB THR A 23 6.106 4.135 3.634 1.00 0.00 C ATOM 365 OG1 THR A 23 7.307 3.378 3.586 1.00 0.00 O ATOM 366 CG2 THR A 23 5.987 5.002 2.380 1.00 0.00 C ATOM 0 H THR A 23 5.879 3.087 5.713 1.00 0.00 H new ATOM 0 HA THR A 23 6.959 5.695 4.899 1.00 0.00 H new ATOM 0 HB THR A 23 5.256 3.454 3.678 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.120 2.451 3.844 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.987 4.365 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.058 5.571 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.831 5.689 2.331 1.00 0.00 H new ATOM 374 N LEU A 24 3.723 5.181 5.130 1.00 0.00 N ATOM 375 CA LEU A 24 2.432 5.901 5.205 1.00 0.00 C ATOM 376 C LEU A 24 2.384 6.654 6.526 1.00 0.00 C ATOM 377 O LEU A 24 1.736 7.672 6.654 1.00 0.00 O ATOM 378 CB LEU A 24 1.354 4.814 5.165 1.00 0.00 C ATOM 379 CG LEU A 24 1.238 4.249 3.747 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.367 2.991 3.770 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.594 5.294 2.832 1.00 0.00 C ATOM 0 H LEU A 24 3.665 4.172 5.264 1.00 0.00 H new ATOM 0 HA LEU A 24 2.292 6.618 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.603 4.016 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.396 5.227 5.481 1.00 0.00 H new ATOM 0 HG LEU A 24 2.231 4.000 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.284 2.588 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.822 2.245 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.626 3.243 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.511 4.892 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.399 5.543 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.211 6.193 2.815 1.00 0.00 H new ATOM 393 N LEU A 25 3.081 6.156 7.513 1.00 0.00 N ATOM 394 CA LEU A 25 3.081 6.853 8.833 1.00 0.00 C ATOM 395 C LEU A 25 4.085 7.985 8.824 1.00 0.00 C ATOM 396 O LEU A 25 3.982 8.939 9.568 1.00 0.00 O ATOM 397 CB LEU A 25 3.457 5.788 9.844 1.00 0.00 C ATOM 398 CG LEU A 25 2.271 4.855 9.977 1.00 0.00 C ATOM 399 CD1 LEU A 25 2.716 3.542 10.618 1.00 0.00 C ATOM 400 CD2 LEU A 25 1.206 5.534 10.838 1.00 0.00 C ATOM 0 H LEU A 25 3.644 5.307 7.464 1.00 0.00 H new ATOM 0 HA LEU A 25 2.115 7.299 9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.341 5.241 9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.700 6.240 10.806 1.00 0.00 H new ATOM 0 HG LEU A 25 1.856 4.635 8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.860 2.874 10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.476 3.072 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.130 3.742 11.606 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.346 4.872 10.942 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.618 5.750 11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.893 6.464 10.363 1.00 0.00 H new ATOM 412 N GLU A 26 5.011 7.912 7.937 1.00 0.00 N ATOM 413 CA GLU A 26 5.988 9.004 7.796 1.00 0.00 C ATOM 414 C GLU A 26 5.424 9.915 6.738 1.00 0.00 C ATOM 415 O GLU A 26 5.690 11.099 6.683 1.00 0.00 O ATOM 416 CB GLU A 26 7.298 8.348 7.357 1.00 0.00 C ATOM 417 CG GLU A 26 7.865 7.519 8.512 1.00 0.00 C ATOM 418 CD GLU A 26 9.012 8.283 9.174 1.00 0.00 C ATOM 419 OE1 GLU A 26 10.052 8.411 8.547 1.00 0.00 O ATOM 420 OE2 GLU A 26 8.833 8.729 10.294 1.00 0.00 O ATOM 0 H GLU A 26 5.138 7.132 7.292 1.00 0.00 H new ATOM 0 HA GLU A 26 6.173 9.579 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.126 7.712 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.016 9.111 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.083 7.311 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.220 6.557 8.143 1.00 0.00 H new ATOM 427 N LEU A 27 4.604 9.342 5.911 1.00 0.00 N ATOM 428 CA LEU A 27 3.953 10.117 4.857 1.00 0.00 C ATOM 429 C LEU A 27 2.873 10.985 5.494 1.00 0.00 C ATOM 430 O LEU A 27 2.552 12.050 5.013 1.00 0.00 O ATOM 431 CB LEU A 27 3.353 9.079 3.909 1.00 0.00 C ATOM 432 CG LEU A 27 2.420 9.769 2.913 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.216 10.775 2.079 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.802 8.718 1.988 1.00 0.00 C ATOM 0 H LEU A 27 4.360 8.352 5.930 1.00 0.00 H new ATOM 0 HA LEU A 27 4.631 10.780 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.148 8.557 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.803 8.328 4.477 1.00 0.00 H new ATOM 0 HG LEU A 27 1.631 10.291 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.551 11.267 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.661 11.522 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.005 10.254 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.136 9.206 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.593 8.199 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.236 7.999 2.581 1.00 0.00 H new ATOM 446 N GLU A 28 2.327 10.545 6.599 1.00 0.00 N ATOM 447 CA GLU A 28 1.295 11.363 7.286 1.00 0.00 C ATOM 448 C GLU A 28 1.976 12.598 7.864 1.00 0.00 C ATOM 449 O GLU A 28 1.460 13.696 7.804 1.00 0.00 O ATOM 450 CB GLU A 28 0.751 10.481 8.410 1.00 0.00 C ATOM 451 CG GLU A 28 0.087 9.239 7.817 1.00 0.00 C ATOM 452 CD GLU A 28 -1.412 9.262 8.127 1.00 0.00 C ATOM 453 OE1 GLU A 28 -1.994 10.332 8.065 1.00 0.00 O ATOM 454 OE2 GLU A 28 -1.951 8.207 8.422 1.00 0.00 O ATOM 0 H GLU A 28 2.553 9.658 7.050 1.00 0.00 H new ATOM 0 HA GLU A 28 0.494 11.687 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.560 10.188 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.031 11.040 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.245 9.209 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.541 8.339 8.231 1.00 0.00 H new ATOM 461 N LYS A 29 3.156 12.425 8.402 1.00 0.00 N ATOM 462 CA LYS A 29 3.892 13.595 8.954 1.00 0.00 C ATOM 463 C LYS A 29 4.402 14.431 7.785 1.00 0.00 C ATOM 464 O LYS A 29 4.649 15.616 7.890 1.00 0.00 O ATOM 465 CB LYS A 29 5.016 12.980 9.802 1.00 0.00 C ATOM 466 CG LYS A 29 6.404 13.253 9.209 1.00 0.00 C ATOM 467 CD LYS A 29 7.286 12.050 9.486 1.00 0.00 C ATOM 468 CE LYS A 29 7.569 11.954 10.987 1.00 0.00 C ATOM 469 NZ LYS A 29 8.561 13.031 11.266 1.00 0.00 N ATOM 0 H LYS A 29 3.637 11.529 8.481 1.00 0.00 H new ATOM 0 HA LYS A 29 3.292 14.265 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.969 13.384 10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.862 11.904 9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.330 13.431 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.836 14.150 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.796 11.140 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.222 12.138 8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.659 12.096 11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.967 10.974 11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.343 12.644 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.933 13.401 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.100 13.800 11.793 1.00 0.00 H new ATOM 483 N ASN A 30 4.524 13.795 6.665 1.00 0.00 N ATOM 484 CA ASN A 30 4.978 14.486 5.428 1.00 0.00 C ATOM 485 C ASN A 30 4.230 13.879 4.266 1.00 0.00 C ATOM 486 O ASN A 30 4.747 13.068 3.524 1.00 0.00 O ATOM 487 CB ASN A 30 6.485 14.242 5.321 1.00 0.00 C ATOM 488 CG ASN A 30 7.206 15.575 5.117 1.00 0.00 C ATOM 489 OD1 ASN A 30 8.107 15.676 4.308 1.00 0.00 O ATOM 490 ND2 ASN A 30 6.842 16.613 5.820 1.00 0.00 N ATOM 0 H ASN A 30 4.325 12.802 6.547 1.00 0.00 H new ATOM 0 HA ASN A 30 4.786 15.559 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.850 13.754 6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.697 13.571 4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.314 17.508 5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.086 16.529 6.499 1.00 0.00 H new ATOM 497 N PRO A 31 3.006 14.283 4.195 1.00 0.00 N ATOM 498 CA PRO A 31 2.085 13.774 3.173 1.00 0.00 C ATOM 499 C PRO A 31 2.214 14.559 1.867 1.00 0.00 C ATOM 500 O PRO A 31 1.324 14.561 1.040 1.00 0.00 O ATOM 501 CB PRO A 31 0.734 13.989 3.828 1.00 0.00 C ATOM 502 CG PRO A 31 0.904 15.116 4.797 1.00 0.00 C ATOM 503 CD PRO A 31 2.367 15.262 5.077 1.00 0.00 C ATOM 0 HA PRO A 31 2.270 12.738 2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.024 14.230 3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.403 13.085 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.500 16.040 4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.357 14.914 5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.713 16.274 4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.593 15.061 6.124 1.00 0.00 H new ATOM 511 N GLU A 32 3.321 15.210 1.671 1.00 0.00 N ATOM 512 CA GLU A 32 3.525 15.982 0.416 1.00 0.00 C ATOM 513 C GLU A 32 4.896 15.636 -0.153 1.00 0.00 C ATOM 514 O GLU A 32 5.298 16.127 -1.189 1.00 0.00 O ATOM 515 CB GLU A 32 3.456 17.470 0.804 1.00 0.00 C ATOM 516 CG GLU A 32 3.015 17.622 2.262 1.00 0.00 C ATOM 517 CD GLU A 32 3.144 19.084 2.689 1.00 0.00 C ATOM 518 OE1 GLU A 32 3.893 19.804 2.050 1.00 0.00 O ATOM 519 OE2 GLU A 32 2.492 19.459 3.649 1.00 0.00 O ATOM 0 H GLU A 32 4.099 15.242 2.329 1.00 0.00 H new ATOM 0 HA GLU A 32 2.774 15.751 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.432 17.935 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.757 17.991 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.983 17.289 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.627 16.990 2.905 1.00 0.00 H new ATOM 526 N ASP A 33 5.614 14.782 0.525 1.00 0.00 N ATOM 527 CA ASP A 33 6.958 14.388 0.042 1.00 0.00 C ATOM 528 C ASP A 33 6.830 13.249 -0.971 1.00 0.00 C ATOM 529 O ASP A 33 6.164 12.262 -0.728 1.00 0.00 O ATOM 530 CB ASP A 33 7.714 13.919 1.286 1.00 0.00 C ATOM 531 CG ASP A 33 9.214 13.886 0.985 1.00 0.00 C ATOM 532 OD1 ASP A 33 9.573 14.107 -0.160 1.00 0.00 O ATOM 533 OD2 ASP A 33 9.978 13.640 1.905 1.00 0.00 O ATOM 0 H ASP A 33 5.321 14.341 1.397 1.00 0.00 H new ATOM 0 HA ASP A 33 7.476 15.208 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.514 14.590 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.369 12.929 1.583 1.00 0.00 H new ATOM 538 N MET A 34 7.453 13.380 -2.106 1.00 0.00 N ATOM 539 CA MET A 34 7.354 12.308 -3.135 1.00 0.00 C ATOM 540 C MET A 34 8.198 11.096 -2.739 1.00 0.00 C ATOM 541 O MET A 34 8.244 10.109 -3.446 1.00 0.00 O ATOM 542 CB MET A 34 7.885 12.944 -4.420 1.00 0.00 C ATOM 543 CG MET A 34 6.758 13.713 -5.112 1.00 0.00 C ATOM 544 SD MET A 34 7.107 13.830 -6.883 1.00 0.00 S ATOM 545 CE MET A 34 5.489 13.269 -7.468 1.00 0.00 C ATOM 0 H MET A 34 8.027 14.182 -2.367 1.00 0.00 H new ATOM 0 HA MET A 34 6.333 11.945 -3.251 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.711 13.617 -4.191 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.276 12.174 -5.085 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.806 13.207 -4.951 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.666 14.710 -4.682 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.512 13.161 -8.552 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.251 12.308 -7.012 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.729 14.000 -7.192 1.00 0.00 H new ATOM 555 N GLU A 35 8.851 11.147 -1.612 1.00 0.00 N ATOM 556 CA GLU A 35 9.666 9.977 -1.187 1.00 0.00 C ATOM 557 C GLU A 35 8.748 8.947 -0.540 1.00 0.00 C ATOM 558 O GLU A 35 8.636 7.829 -1.001 1.00 0.00 O ATOM 559 CB GLU A 35 10.674 10.524 -0.176 1.00 0.00 C ATOM 560 CG GLU A 35 12.052 10.622 -0.832 1.00 0.00 C ATOM 561 CD GLU A 35 13.114 10.856 0.243 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.835 11.598 1.171 1.00 0.00 O ATOM 563 OE2 GLU A 35 14.187 10.288 0.122 1.00 0.00 O ATOM 0 H GLU A 35 8.856 11.941 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 35 10.176 9.490 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.356 11.506 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.720 9.872 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.271 9.706 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.065 11.438 -1.555 1.00 0.00 H new ATOM 570 N LEU A 36 8.063 9.319 0.504 1.00 0.00 N ATOM 571 CA LEU A 36 7.131 8.352 1.135 1.00 0.00 C ATOM 572 C LEU A 36 6.022 8.043 0.137 1.00 0.00 C ATOM 573 O LEU A 36 5.409 6.993 0.170 1.00 0.00 O ATOM 574 CB LEU A 36 6.568 9.055 2.376 1.00 0.00 C ATOM 575 CG LEU A 36 7.684 9.786 3.140 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.313 9.863 4.619 1.00 0.00 C ATOM 577 CD2 LEU A 36 9.015 9.034 3.002 1.00 0.00 C ATOM 0 H LEU A 36 8.108 10.239 0.942 1.00 0.00 H new ATOM 0 HA LEU A 36 7.613 7.415 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.798 9.767 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.092 8.324 3.029 1.00 0.00 H new ATOM 0 HG LEU A 36 7.795 10.787 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.101 10.381 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.376 10.408 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.197 8.855 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.792 9.567 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.909 8.028 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.290 8.972 1.949 1.00 0.00 H new ATOM 589 N ILE A 37 5.778 8.950 -0.772 1.00 0.00 N ATOM 590 CA ILE A 37 4.732 8.710 -1.795 1.00 0.00 C ATOM 591 C ILE A 37 5.270 7.717 -2.822 1.00 0.00 C ATOM 592 O ILE A 37 4.542 6.904 -3.356 1.00 0.00 O ATOM 593 CB ILE A 37 4.485 10.080 -2.425 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.567 10.894 -1.513 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.827 9.915 -3.795 1.00 0.00 C ATOM 596 CD1 ILE A 37 3.374 12.295 -2.098 1.00 0.00 C ATOM 0 H ILE A 37 6.261 9.845 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 37 3.811 8.291 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 37 5.437 10.597 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.603 10.395 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.997 10.962 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.655 10.897 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.481 9.334 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.875 9.396 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.719 12.874 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.340 12.793 -2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.925 12.217 -3.088 1.00 0.00 H new ATOM 608 N ASN A 38 6.549 7.770 -3.095 1.00 0.00 N ATOM 609 CA ASN A 38 7.130 6.814 -4.079 1.00 0.00 C ATOM 610 C ASN A 38 7.615 5.562 -3.362 1.00 0.00 C ATOM 611 O ASN A 38 7.705 4.497 -3.938 1.00 0.00 O ATOM 612 CB ASN A 38 8.292 7.556 -4.739 1.00 0.00 C ATOM 613 CG ASN A 38 7.755 8.453 -5.855 1.00 0.00 C ATOM 614 OD1 ASN A 38 6.573 8.731 -5.911 1.00 0.00 O ATOM 615 ND2 ASN A 38 8.578 8.921 -6.752 1.00 0.00 N ATOM 0 H ASN A 38 7.209 8.429 -2.682 1.00 0.00 H new ATOM 0 HA ASN A 38 6.400 6.491 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.822 8.156 -3.999 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.010 6.843 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.230 9.520 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.570 8.688 -6.705 1.00 0.00 H new ATOM 622 N GLU A 39 7.904 5.678 -2.106 1.00 0.00 N ATOM 623 CA GLU A 39 8.358 4.485 -1.340 1.00 0.00 C ATOM 624 C GLU A 39 7.167 3.565 -1.132 1.00 0.00 C ATOM 625 O GLU A 39 7.297 2.373 -0.938 1.00 0.00 O ATOM 626 CB GLU A 39 8.884 5.022 -0.008 1.00 0.00 C ATOM 627 CG GLU A 39 10.290 5.589 -0.209 1.00 0.00 C ATOM 628 CD GLU A 39 11.181 5.180 0.966 1.00 0.00 C ATOM 629 OE1 GLU A 39 10.721 5.272 2.092 1.00 0.00 O ATOM 630 OE2 GLU A 39 12.307 4.780 0.719 1.00 0.00 O ATOM 0 H GLU A 39 7.847 6.545 -1.571 1.00 0.00 H new ATOM 0 HA GLU A 39 9.133 3.916 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.218 5.797 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.904 4.225 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.712 5.220 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.247 6.675 -0.285 1.00 0.00 H new ATOM 637 N ALA A 40 6.002 4.127 -1.204 1.00 0.00 N ATOM 638 CA ALA A 40 4.762 3.323 -1.048 1.00 0.00 C ATOM 639 C ALA A 40 4.315 2.822 -2.423 1.00 0.00 C ATOM 640 O ALA A 40 4.178 1.635 -2.646 1.00 0.00 O ATOM 641 CB ALA A 40 3.735 4.288 -0.462 1.00 0.00 C ATOM 0 H ALA A 40 5.850 5.123 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 40 4.897 2.450 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.788 3.768 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.094 4.663 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.589 5.123 -1.147 1.00 0.00 H new ATOM 647 N PHE A 41 4.104 3.717 -3.355 1.00 0.00 N ATOM 648 CA PHE A 41 3.687 3.280 -4.716 1.00 0.00 C ATOM 649 C PHE A 41 4.622 2.171 -5.208 1.00 0.00 C ATOM 650 O PHE A 41 4.224 1.286 -5.938 1.00 0.00 O ATOM 651 CB PHE A 41 3.827 4.524 -5.592 1.00 0.00 C ATOM 652 CG PHE A 41 3.740 4.131 -7.047 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.841 3.540 -7.680 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.561 4.362 -7.765 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.760 3.179 -9.031 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.481 4.000 -9.114 1.00 0.00 C ATOM 657 CZ PHE A 41 3.580 3.409 -9.747 1.00 0.00 C ATOM 0 H PHE A 41 4.202 4.725 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 41 2.672 2.883 -4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.042 5.241 -5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.780 5.015 -5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.752 3.363 -7.127 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.713 4.820 -7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.608 2.723 -9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.570 4.177 -9.667 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.518 3.130 -10.789 1.00 0.00 H new ATOM 667 N ARG A 42 5.865 2.212 -4.806 1.00 0.00 N ATOM 668 CA ARG A 42 6.826 1.160 -5.243 1.00 0.00 C ATOM 669 C ARG A 42 6.639 -0.098 -4.390 1.00 0.00 C ATOM 670 O ARG A 42 6.730 -1.208 -4.873 1.00 0.00 O ATOM 671 CB ARG A 42 8.214 1.789 -5.047 1.00 0.00 C ATOM 672 CG ARG A 42 8.773 1.475 -3.654 1.00 0.00 C ATOM 673 CD ARG A 42 9.340 0.053 -3.639 1.00 0.00 C ATOM 674 NE ARG A 42 10.802 0.228 -3.407 1.00 0.00 N ATOM 675 CZ ARG A 42 11.574 -0.817 -3.301 1.00 0.00 C ATOM 676 NH1 ARG A 42 11.377 -1.856 -4.065 1.00 0.00 N ATOM 677 NH2 ARG A 42 12.545 -0.822 -2.429 1.00 0.00 N ATOM 0 H ARG A 42 6.255 2.929 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 42 6.682 0.849 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.897 1.414 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.149 2.869 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.552 2.191 -3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.987 1.572 -2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.884 -0.546 -2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.148 -0.459 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 42 11.198 1.165 -3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.618 -1.851 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.982 -2.673 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.699 -0.009 -1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.150 -1.639 -2.344 1.00 0.00 H new ATOM 691 N ALA A 43 6.364 0.075 -3.129 1.00 0.00 N ATOM 692 CA ALA A 43 6.150 -1.106 -2.240 1.00 0.00 C ATOM 693 C ALA A 43 4.807 -1.748 -2.556 1.00 0.00 C ATOM 694 O ALA A 43 4.677 -2.954 -2.556 1.00 0.00 O ATOM 695 CB ALA A 43 6.161 -0.545 -0.818 1.00 0.00 C ATOM 0 H ALA A 43 6.277 0.983 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 43 6.913 -1.873 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.009 -1.356 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.121 -0.066 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.361 0.188 -0.710 1.00 0.00 H new ATOM 701 N LEU A 44 3.813 -0.959 -2.839 1.00 0.00 N ATOM 702 CA LEU A 44 2.489 -1.544 -3.165 1.00 0.00 C ATOM 703 C LEU A 44 2.528 -2.149 -4.566 1.00 0.00 C ATOM 704 O LEU A 44 2.146 -3.276 -4.764 1.00 0.00 O ATOM 705 CB LEU A 44 1.504 -0.382 -3.099 1.00 0.00 C ATOM 706 CG LEU A 44 1.132 -0.125 -1.640 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.858 1.364 -1.437 1.00 0.00 C ATOM 708 CD2 LEU A 44 -0.120 -0.928 -1.286 1.00 0.00 C ATOM 0 H LEU A 44 3.860 0.060 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 44 2.204 -2.341 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.947 0.512 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.611 -0.612 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 44 1.956 -0.432 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.593 1.546 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.751 1.936 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.035 1.674 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.387 -0.746 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.943 -0.621 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.077 -1.990 -1.429 1.00 0.00 H new ATOM 720 N HIS A 45 3.010 -1.423 -5.536 1.00 0.00 N ATOM 721 CA HIS A 45 3.080 -1.988 -6.911 1.00 0.00 C ATOM 722 C HIS A 45 3.814 -3.320 -6.857 1.00 0.00 C ATOM 723 O HIS A 45 3.505 -4.244 -7.583 1.00 0.00 O ATOM 724 CB HIS A 45 3.865 -0.962 -7.726 1.00 0.00 C ATOM 725 CG HIS A 45 3.637 -1.205 -9.193 1.00 0.00 C ATOM 726 ND1 HIS A 45 4.558 -1.872 -9.985 1.00 0.00 N ATOM 727 CD2 HIS A 45 2.595 -0.876 -10.024 1.00 0.00 C ATOM 728 CE1 HIS A 45 4.057 -1.924 -11.233 1.00 0.00 C ATOM 729 NE2 HIS A 45 2.862 -1.332 -11.312 1.00 0.00 N ATOM 0 H HIS A 45 3.356 -0.469 -5.437 1.00 0.00 H new ATOM 0 HA HIS A 45 2.099 -2.170 -7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 45 3.550 0.047 -7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.928 -1.035 -7.495 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.704 -0.344 -9.724 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.560 -2.388 -12.069 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.272 -1.235 -12.138 1.00 0.00 H new ATOM 737 N THR A 46 4.770 -3.433 -5.980 1.00 0.00 N ATOM 738 CA THR A 46 5.504 -4.715 -5.859 1.00 0.00 C ATOM 739 C THR A 46 4.619 -5.708 -5.096 1.00 0.00 C ATOM 740 O THR A 46 4.493 -6.861 -5.458 1.00 0.00 O ATOM 741 CB THR A 46 6.796 -4.364 -5.091 1.00 0.00 C ATOM 742 OG1 THR A 46 7.920 -4.726 -5.880 1.00 0.00 O ATOM 743 CG2 THR A 46 6.866 -5.102 -3.747 1.00 0.00 C ATOM 0 H THR A 46 5.072 -2.694 -5.345 1.00 0.00 H new ATOM 0 HA THR A 46 5.750 -5.180 -6.814 1.00 0.00 H new ATOM 0 HB THR A 46 6.796 -3.292 -4.893 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.744 -4.504 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.788 -4.833 -3.232 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.011 -4.820 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.849 -6.178 -3.921 1.00 0.00 H new ATOM 751 N LEU A 47 4.002 -5.247 -4.045 1.00 0.00 N ATOM 752 CA LEU A 47 3.110 -6.121 -3.239 1.00 0.00 C ATOM 753 C LEU A 47 1.831 -6.433 -4.028 1.00 0.00 C ATOM 754 O LEU A 47 1.212 -7.463 -3.854 1.00 0.00 O ATOM 755 CB LEU A 47 2.808 -5.281 -1.998 1.00 0.00 C ATOM 756 CG LEU A 47 3.563 -5.856 -0.803 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.552 -4.844 0.342 1.00 0.00 C ATOM 758 CD2 LEU A 47 2.884 -7.149 -0.348 1.00 0.00 C ATOM 0 H LEU A 47 4.080 -4.288 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 47 3.554 -7.084 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.104 -4.245 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.736 -5.278 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 47 4.593 -6.067 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.091 -5.255 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.034 -3.922 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.522 -4.633 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.422 -7.561 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.854 -6.937 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.892 -7.871 -1.165 1.00 0.00 H new ATOM 770 N LYS A 48 1.448 -5.547 -4.906 1.00 0.00 N ATOM 771 CA LYS A 48 0.236 -5.759 -5.731 1.00 0.00 C ATOM 772 C LYS A 48 0.505 -6.868 -6.752 1.00 0.00 C ATOM 773 O LYS A 48 -0.367 -7.635 -7.107 1.00 0.00 O ATOM 774 CB LYS A 48 0.038 -4.412 -6.435 1.00 0.00 C ATOM 775 CG LYS A 48 -1.444 -4.159 -6.660 1.00 0.00 C ATOM 776 CD LYS A 48 -2.032 -5.353 -7.397 1.00 0.00 C ATOM 777 CE LYS A 48 -1.319 -5.504 -8.741 1.00 0.00 C ATOM 778 NZ LYS A 48 -2.409 -5.682 -9.740 1.00 0.00 N ATOM 0 H LYS A 48 1.937 -4.670 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.639 -6.060 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.465 -3.611 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.565 -4.409 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.952 -4.015 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.589 -3.247 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.913 -6.259 -6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.102 -5.212 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.716 -4.625 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.645 -6.361 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.996 -5.792 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.962 -6.530 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.031 -4.848 -9.728 1.00 0.00 H new ATOM 792 N GLY A 49 1.719 -6.954 -7.227 1.00 0.00 N ATOM 793 CA GLY A 49 2.058 -8.005 -8.229 1.00 0.00 C ATOM 794 C GLY A 49 2.135 -9.374 -7.546 1.00 0.00 C ATOM 795 O GLY A 49 1.334 -10.250 -7.802 1.00 0.00 O ATOM 0 H GLY A 49 2.491 -6.341 -6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.305 -8.024 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.011 -7.772 -8.704 1.00 0.00 H new ATOM 799 N MET A 50 3.097 -9.566 -6.683 1.00 0.00 N ATOM 800 CA MET A 50 3.228 -10.881 -5.990 1.00 0.00 C ATOM 801 C MET A 50 1.907 -11.276 -5.323 1.00 0.00 C ATOM 802 O MET A 50 1.694 -12.422 -4.980 1.00 0.00 O ATOM 803 CB MET A 50 4.319 -10.675 -4.939 1.00 0.00 C ATOM 804 CG MET A 50 3.836 -9.665 -3.904 1.00 0.00 C ATOM 805 SD MET A 50 4.241 -10.260 -2.242 1.00 0.00 S ATOM 806 CE MET A 50 5.415 -8.951 -1.814 1.00 0.00 C ATOM 0 H MET A 50 3.797 -8.870 -6.428 1.00 0.00 H new ATOM 0 HA MET A 50 3.478 -11.682 -6.686 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.558 -11.622 -4.456 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.234 -10.319 -5.413 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.305 -8.697 -4.079 1.00 0.00 H new ATOM 0 HG3 MET A 50 2.760 -9.520 -3.997 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.429 -9.352 -1.830 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.334 -8.139 -2.537 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.190 -8.573 -0.817 1.00 0.00 H new ATOM 816 N ALA A 51 1.013 -10.342 -5.138 1.00 0.00 N ATOM 817 CA ALA A 51 -0.290 -10.680 -4.500 1.00 0.00 C ATOM 818 C ALA A 51 -1.305 -11.077 -5.570 1.00 0.00 C ATOM 819 O ALA A 51 -2.274 -11.751 -5.298 1.00 0.00 O ATOM 820 CB ALA A 51 -0.736 -9.401 -3.794 1.00 0.00 C ATOM 0 H ALA A 51 1.129 -9.363 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.205 -11.517 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.692 -9.573 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.010 -9.116 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.845 -8.601 -4.526 1.00 0.00 H new ATOM 826 N GLY A 52 -1.089 -10.662 -6.787 1.00 0.00 N ATOM 827 CA GLY A 52 -2.045 -11.012 -7.873 1.00 0.00 C ATOM 828 C GLY A 52 -1.686 -12.377 -8.460 1.00 0.00 C ATOM 829 O GLY A 52 -1.722 -12.579 -9.657 1.00 0.00 O ATOM 0 H GLY A 52 -0.292 -10.096 -7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.062 -11.030 -7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.017 -10.252 -8.654 1.00 0.00 H new ATOM 871 N PHE A 56 -3.100 -13.749 -4.107 1.00 0.00 N ATOM 872 CA PHE A 56 -4.499 -13.588 -4.608 1.00 0.00 C ATOM 873 C PHE A 56 -4.758 -12.125 -4.969 1.00 0.00 C ATOM 874 O PHE A 56 -4.612 -11.237 -4.152 1.00 0.00 O ATOM 875 CB PHE A 56 -5.409 -14.045 -3.463 1.00 0.00 C ATOM 876 CG PHE A 56 -5.513 -15.551 -3.476 1.00 0.00 C ATOM 877 CD1 PHE A 56 -6.028 -16.210 -4.600 1.00 0.00 C ATOM 878 CD2 PHE A 56 -5.092 -16.292 -2.364 1.00 0.00 C ATOM 879 CE1 PHE A 56 -6.123 -17.606 -4.611 1.00 0.00 C ATOM 880 CE2 PHE A 56 -5.186 -17.688 -2.376 1.00 0.00 C ATOM 881 CZ PHE A 56 -5.702 -18.345 -3.499 1.00 0.00 C ATOM 0 HA PHE A 56 -4.683 -14.174 -5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.009 -13.705 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.398 -13.600 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.352 -15.640 -5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.695 -15.785 -1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.521 -18.113 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.860 -18.259 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.775 -19.422 -3.508 1.00 0.00 H new ATOM 891 N SER A 57 -5.118 -11.869 -6.195 1.00 0.00 N ATOM 892 CA SER A 57 -5.362 -10.465 -6.627 1.00 0.00 C ATOM 893 C SER A 57 -6.412 -9.812 -5.745 1.00 0.00 C ATOM 894 O SER A 57 -6.529 -8.604 -5.692 1.00 0.00 O ATOM 895 CB SER A 57 -5.856 -10.569 -8.068 1.00 0.00 C ATOM 896 OG SER A 57 -4.848 -11.172 -8.869 1.00 0.00 O ATOM 0 H SER A 57 -5.254 -12.574 -6.919 1.00 0.00 H new ATOM 0 HA SER A 57 -4.464 -9.852 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.771 -11.160 -8.109 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.099 -9.579 -8.454 1.00 0.00 H new ATOM 0 HG SER A 57 -5.163 -11.241 -9.794 1.00 0.00 H new ATOM 902 N SER A 58 -7.161 -10.596 -5.040 1.00 0.00 N ATOM 903 CA SER A 58 -8.196 -10.016 -4.150 1.00 0.00 C ATOM 904 C SER A 58 -7.507 -9.108 -3.145 1.00 0.00 C ATOM 905 O SER A 58 -7.988 -8.043 -2.810 1.00 0.00 O ATOM 906 CB SER A 58 -8.855 -11.199 -3.449 1.00 0.00 C ATOM 907 OG SER A 58 -9.296 -12.138 -4.422 1.00 0.00 O ATOM 0 H SER A 58 -7.104 -11.614 -5.039 1.00 0.00 H new ATOM 0 HA SER A 58 -8.939 -9.428 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.149 -11.671 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.698 -10.857 -2.849 1.00 0.00 H new ATOM 0 HG SER A 58 -9.718 -12.900 -3.973 1.00 0.00 H new ATOM 913 N MET A 59 -6.361 -9.515 -2.683 1.00 0.00 N ATOM 914 CA MET A 59 -5.610 -8.673 -1.724 1.00 0.00 C ATOM 915 C MET A 59 -4.635 -7.799 -2.505 1.00 0.00 C ATOM 916 O MET A 59 -4.134 -6.808 -2.013 1.00 0.00 O ATOM 917 CB MET A 59 -4.865 -9.654 -0.815 1.00 0.00 C ATOM 918 CG MET A 59 -3.890 -8.887 0.080 1.00 0.00 C ATOM 919 SD MET A 59 -2.502 -9.960 0.521 1.00 0.00 S ATOM 920 CE MET A 59 -1.935 -10.296 -1.163 1.00 0.00 C ATOM 0 H MET A 59 -5.913 -10.397 -2.931 1.00 0.00 H new ATOM 0 HA MET A 59 -6.251 -8.014 -1.138 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.576 -10.209 -0.203 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.324 -10.384 -1.417 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.527 -7.999 -0.437 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.399 -8.545 0.981 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.847 -10.237 -1.199 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.254 -11.294 -1.462 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.361 -9.560 -1.844 1.00 0.00 H new ATOM 930 N ALA A 60 -4.377 -8.155 -3.732 1.00 0.00 N ATOM 931 CA ALA A 60 -3.449 -7.344 -4.558 1.00 0.00 C ATOM 932 C ALA A 60 -4.202 -6.171 -5.179 1.00 0.00 C ATOM 933 O ALA A 60 -3.659 -5.101 -5.349 1.00 0.00 O ATOM 934 CB ALA A 60 -2.932 -8.298 -5.633 1.00 0.00 C ATOM 0 H ALA A 60 -4.770 -8.974 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.630 -6.921 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.237 -7.769 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.419 -9.136 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.770 -8.671 -6.222 1.00 0.00 H new ATOM 940 N LYS A 61 -5.461 -6.336 -5.491 1.00 0.00 N ATOM 941 CA LYS A 61 -6.211 -5.186 -6.057 1.00 0.00 C ATOM 942 C LYS A 61 -6.298 -4.139 -4.968 1.00 0.00 C ATOM 943 O LYS A 61 -6.306 -2.952 -5.216 1.00 0.00 O ATOM 944 CB LYS A 61 -7.593 -5.725 -6.412 1.00 0.00 C ATOM 945 CG LYS A 61 -7.480 -6.677 -7.601 1.00 0.00 C ATOM 946 CD LYS A 61 -8.484 -7.815 -7.424 1.00 0.00 C ATOM 947 CE LYS A 61 -9.897 -7.280 -7.651 1.00 0.00 C ATOM 948 NZ LYS A 61 -10.012 -7.103 -9.125 1.00 0.00 N ATOM 0 H LYS A 61 -5.990 -7.201 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.746 -4.744 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.023 -6.245 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.265 -4.902 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.676 -6.143 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.468 -7.075 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.269 -8.618 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.399 -8.238 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.647 -7.977 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.050 -6.336 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.226 -6.108 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.115 -7.370 -9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.776 -7.707 -9.489 1.00 0.00 H new ATOM 962 N LEU A 62 -6.323 -4.593 -3.751 1.00 0.00 N ATOM 963 CA LEU A 62 -6.364 -3.666 -2.604 1.00 0.00 C ATOM 964 C LEU A 62 -5.019 -2.946 -2.511 1.00 0.00 C ATOM 965 O LEU A 62 -4.945 -1.781 -2.177 1.00 0.00 O ATOM 966 CB LEU A 62 -6.576 -4.575 -1.398 1.00 0.00 C ATOM 967 CG LEU A 62 -6.602 -3.730 -0.132 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.691 -2.664 -0.255 1.00 0.00 C ATOM 969 CD2 LEU A 62 -6.893 -4.625 1.074 1.00 0.00 C ATOM 0 H LEU A 62 -6.317 -5.583 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.141 -2.905 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.512 -5.125 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.777 -5.314 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.635 -3.246 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.711 -2.058 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.481 -2.026 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.659 -3.147 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.912 -4.020 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.860 -5.110 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.115 -5.384 1.160 1.00 0.00 H new ATOM 981 N CYS A 63 -3.953 -3.638 -2.824 1.00 0.00 N ATOM 982 CA CYS A 63 -2.607 -3.003 -2.776 1.00 0.00 C ATOM 983 C CYS A 63 -2.477 -2.005 -3.925 1.00 0.00 C ATOM 984 O CYS A 63 -1.801 -1.001 -3.817 1.00 0.00 O ATOM 985 CB CYS A 63 -1.613 -4.152 -2.947 1.00 0.00 C ATOM 986 SG CYS A 63 -1.813 -5.329 -1.586 1.00 0.00 S ATOM 0 H CYS A 63 -3.960 -4.617 -3.111 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.432 -2.460 -1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.779 -4.652 -3.902 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.594 -3.766 -2.962 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.708 -6.215 -1.907 1.00 0.00 H new ATOM 992 N HIS A 64 -3.143 -2.260 -5.019 1.00 0.00 N ATOM 993 CA HIS A 64 -3.075 -1.307 -6.158 1.00 0.00 C ATOM 994 C HIS A 64 -3.886 -0.070 -5.791 1.00 0.00 C ATOM 995 O HIS A 64 -3.587 1.037 -6.195 1.00 0.00 O ATOM 996 CB HIS A 64 -3.710 -2.035 -7.344 1.00 0.00 C ATOM 997 CG HIS A 64 -3.240 -1.405 -8.626 1.00 0.00 C ATOM 998 ND1 HIS A 64 -2.073 -1.801 -9.263 1.00 0.00 N ATOM 999 CD2 HIS A 64 -3.768 -0.403 -9.402 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -1.940 -1.048 -10.370 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -2.946 -0.178 -10.502 1.00 0.00 N ATOM 0 H HIS A 64 -3.727 -3.082 -5.171 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.058 -0.994 -6.395 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.439 -3.091 -7.324 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.797 -1.983 -7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.683 0.130 -9.191 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.120 -1.136 -11.067 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.082 0.504 -11.248 1.00 0.00 H new ATOM 1009 N THR A 65 -4.910 -0.263 -5.011 1.00 0.00 N ATOM 1010 CA THR A 65 -5.759 0.882 -4.583 1.00 0.00 C ATOM 1011 C THR A 65 -4.944 1.848 -3.720 1.00 0.00 C ATOM 1012 O THR A 65 -4.844 3.022 -4.013 1.00 0.00 O ATOM 1013 CB THR A 65 -6.885 0.259 -3.761 1.00 0.00 C ATOM 1014 OG1 THR A 65 -6.845 -1.155 -3.883 1.00 0.00 O ATOM 1015 CG2 THR A 65 -8.222 0.779 -4.271 1.00 0.00 C ATOM 0 H THR A 65 -5.198 -1.172 -4.648 1.00 0.00 H new ATOM 0 HA THR A 65 -6.140 1.451 -5.431 1.00 0.00 H new ATOM 0 HB THR A 65 -6.762 0.528 -2.712 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.053 -1.410 -4.806 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.030 0.338 -3.688 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.253 1.864 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.342 0.508 -5.320 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.348 1.363 -2.663 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.530 2.267 -1.803 1.00 0.00 C ATOM 1025 C LEU A 66 -2.454 2.912 -2.669 1.00 0.00 C ATOM 1026 O LEU A 66 -2.098 4.058 -2.493 1.00 0.00 O ATOM 1027 CB LEU A 66 -2.884 1.368 -0.739 1.00 0.00 C ATOM 1028 CG LEU A 66 -3.894 0.344 -0.204 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -3.444 -0.137 1.176 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -5.281 0.983 -0.089 1.00 0.00 C ATOM 0 H LEU A 66 -4.391 0.390 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.123 3.055 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.026 0.850 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.510 1.980 0.082 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.945 -0.499 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.160 -0.865 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.461 -0.602 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.390 0.712 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.990 0.248 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.235 1.831 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.606 1.326 -1.071 1.00 0.00 H new ATOM 1042 N GLU A 67 -1.949 2.174 -3.620 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.903 2.724 -4.526 1.00 0.00 C ATOM 1044 C GLU A 67 -1.532 3.758 -5.453 1.00 0.00 C ATOM 1045 O GLU A 67 -0.985 4.816 -5.687 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.404 1.519 -5.318 1.00 0.00 C ATOM 1047 CG GLU A 67 0.522 1.988 -6.442 1.00 0.00 C ATOM 1048 CD GLU A 67 -0.175 1.799 -7.791 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -1.393 1.738 -7.803 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.523 1.716 -8.788 1.00 0.00 O ATOM 0 H GLU A 67 -2.218 1.208 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.092 3.219 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.127 0.833 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.249 0.970 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.782 3.037 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.454 1.422 -6.420 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.690 3.462 -5.967 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.371 4.432 -6.861 1.00 0.00 C ATOM 1059 C ASN A 68 -3.408 5.794 -6.188 1.00 0.00 C ATOM 1060 O ASN A 68 -3.186 6.812 -6.804 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.783 3.900 -7.003 1.00 0.00 C ATOM 1062 CG ASN A 68 -5.029 3.455 -8.445 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -6.068 3.731 -9.011 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -4.109 2.771 -9.070 1.00 0.00 N ATOM 0 H ASN A 68 -3.194 2.590 -5.806 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.869 4.541 -7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.935 3.061 -6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.501 4.671 -6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.263 2.469 -10.032 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.236 2.539 -8.596 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.666 5.809 -4.911 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.696 7.101 -4.178 1.00 0.00 C ATOM 1073 C ILE A 69 -2.293 7.632 -4.155 1.00 0.00 C ATOM 1074 O ILE A 69 -2.028 8.804 -4.329 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.168 6.778 -2.761 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.409 5.876 -2.813 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.503 8.080 -2.027 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.659 6.710 -3.068 1.00 0.00 C ATOM 0 H ILE A 69 -3.857 4.982 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.354 7.841 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.374 6.254 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.293 5.132 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.512 5.333 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.840 7.851 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.615 8.710 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.293 8.607 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.531 6.057 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.781 7.437 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.560 7.233 -4.019 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.397 6.739 -3.986 1.00 0.00 N ATOM 1091 CA LEU A 70 0.034 7.112 -3.987 1.00 0.00 C ATOM 1092 C LEU A 70 0.437 7.431 -5.413 1.00 0.00 C ATOM 1093 O LEU A 70 1.468 8.020 -5.670 1.00 0.00 O ATOM 1094 CB LEU A 70 0.781 5.899 -3.439 1.00 0.00 C ATOM 1095 CG LEU A 70 0.231 5.570 -2.052 1.00 0.00 C ATOM 1096 CD1 LEU A 70 0.615 4.143 -1.665 1.00 0.00 C ATOM 1097 CD2 LEU A 70 0.805 6.551 -1.030 1.00 0.00 C ATOM 0 H LEU A 70 -1.586 5.747 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 70 0.257 7.988 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.658 5.046 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.849 6.107 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.856 5.655 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.220 3.916 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.199 3.445 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.701 4.049 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.413 6.316 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.892 6.470 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.520 7.567 -1.302 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.404 7.081 -6.343 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.106 7.407 -7.755 1.00 0.00 C ATOM 1111 C ASP A 71 -0.639 8.800 -8.024 1.00 0.00 C ATOM 1112 O ASP A 71 0.052 9.644 -8.556 1.00 0.00 O ATOM 1113 CB ASP A 71 -0.834 6.353 -8.594 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.566 6.606 -10.078 1.00 0.00 C ATOM 1115 OD1 ASP A 71 0.594 6.722 -10.439 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -1.525 6.679 -10.829 1.00 0.00 O ATOM 0 H ASP A 71 -1.281 6.585 -6.184 1.00 0.00 H new ATOM 0 HA ASP A 71 0.958 7.396 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.494 5.355 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.905 6.391 -8.396 1.00 0.00 H new ATOM 1121 N LYS A 72 -1.845 9.073 -7.607 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.371 10.455 -7.799 1.00 0.00 C ATOM 1123 C LYS A 72 -1.635 11.347 -6.814 1.00 0.00 C ATOM 1124 O LYS A 72 -1.411 12.519 -7.045 1.00 0.00 O ATOM 1125 CB LYS A 72 -3.882 10.444 -7.510 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.367 9.045 -7.140 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.867 9.049 -7.018 1.00 0.00 C ATOM 1128 CE LYS A 72 -6.258 8.365 -5.712 1.00 0.00 C ATOM 1129 NZ LYS A 72 -7.747 8.310 -5.724 1.00 0.00 N ATOM 0 H LYS A 72 -2.478 8.415 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.218 10.820 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.104 11.135 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.424 10.799 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.055 8.328 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.916 8.729 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.244 10.072 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.316 8.529 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.829 7.365 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.893 8.924 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.107 8.432 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.118 9.070 -6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.057 7.389 -6.095 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.221 10.765 -5.729 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.448 11.523 -4.715 1.00 0.00 C ATOM 1145 C ALA A 73 0.827 12.025 -5.368 1.00 0.00 C ATOM 1146 O ALA A 73 1.280 13.127 -5.125 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.112 10.504 -3.633 1.00 0.00 C ATOM 0 H ALA A 73 -1.387 9.785 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.990 12.377 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.462 10.988 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.034 10.099 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.477 9.695 -4.065 1.00 0.00 H new ATOM 1153 N ARG A 74 1.398 11.221 -6.219 1.00 0.00 N ATOM 1154 CA ARG A 74 2.633 11.650 -6.915 1.00 0.00 C ATOM 1155 C ARG A 74 2.242 12.351 -8.213 1.00 0.00 C ATOM 1156 O ARG A 74 3.030 13.048 -8.819 1.00 0.00 O ATOM 1157 CB ARG A 74 3.428 10.369 -7.191 1.00 0.00 C ATOM 1158 CG ARG A 74 2.713 9.522 -8.245 1.00 0.00 C ATOM 1159 CD ARG A 74 3.737 8.647 -8.974 1.00 0.00 C ATOM 1160 NE ARG A 74 3.099 8.312 -10.276 1.00 0.00 N ATOM 1161 CZ ARG A 74 3.839 8.004 -11.307 1.00 0.00 C ATOM 1162 NH1 ARG A 74 4.409 8.949 -12.005 1.00 0.00 N ATOM 1163 NH2 ARG A 74 4.011 6.754 -11.638 1.00 0.00 N ATOM 0 H ARG A 74 1.061 10.289 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 74 3.231 12.347 -6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.431 10.621 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.542 9.797 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.955 8.897 -7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.197 10.166 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.677 9.178 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.965 7.747 -8.403 1.00 0.00 H new ATOM 0 HE ARG A 74 2.083 8.323 -10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.276 9.926 -11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.987 8.710 -12.811 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.567 6.016 -11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.589 6.515 -12.443 1.00 0.00 H new ATOM 1177 N ASN A 75 1.015 12.179 -8.633 1.00 0.00 N ATOM 1178 CA ASN A 75 0.561 12.850 -9.886 1.00 0.00 C ATOM 1179 C ASN A 75 -0.070 14.202 -9.548 1.00 0.00 C ATOM 1180 O ASN A 75 -0.536 14.914 -10.415 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.478 11.916 -10.504 1.00 0.00 C ATOM 1182 CG ASN A 75 0.049 11.379 -11.835 1.00 0.00 C ATOM 1183 OD1 ASN A 75 0.528 10.266 -11.906 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -0.020 12.130 -12.900 1.00 0.00 N ATOM 0 H ASN A 75 0.312 11.606 -8.165 1.00 0.00 H new ATOM 0 HA ASN A 75 1.387 13.036 -10.573 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.691 11.090 -9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.416 12.450 -10.660 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.329 11.782 -13.793 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.423 13.065 -12.839 1.00 0.00 H new ATOM 1191 N SER A 76 -0.088 14.559 -8.290 1.00 0.00 N ATOM 1192 CA SER A 76 -0.687 15.861 -7.880 1.00 0.00 C ATOM 1193 C SER A 76 -2.211 15.804 -7.995 1.00 0.00 C ATOM 1194 O SER A 76 -2.851 16.784 -8.324 1.00 0.00 O ATOM 1195 CB SER A 76 -0.113 16.898 -8.850 1.00 0.00 C ATOM 1196 OG SER A 76 -0.061 18.164 -8.207 1.00 0.00 O ATOM 0 H SER A 76 0.289 14.000 -7.525 1.00 0.00 H new ATOM 0 HA SER A 76 -0.455 16.107 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.885 16.599 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.732 16.957 -9.745 1.00 0.00 H new ATOM 0 HG SER A 76 0.307 18.830 -8.825 1.00 0.00 H new ATOM 1202 N GLU A 77 -2.805 14.672 -7.715 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.289 14.585 -7.806 1.00 0.00 C ATOM 1204 C GLU A 77 -4.882 14.416 -6.417 1.00 0.00 C ATOM 1205 O GLU A 77 -6.003 14.802 -6.151 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.631 13.353 -8.661 1.00 0.00 C ATOM 1207 CG GLU A 77 -3.451 12.933 -9.547 1.00 0.00 C ATOM 1208 CD GLU A 77 -3.289 13.930 -10.695 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -2.920 15.062 -10.426 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -3.536 13.544 -11.826 1.00 0.00 O ATOM 0 H GLU A 77 -2.331 13.815 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.697 15.492 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.911 12.524 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.496 13.573 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.536 12.892 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.619 11.932 -9.943 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.139 13.829 -5.533 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.661 13.615 -4.154 1.00 0.00 C ATOM 1219 C ILE A 78 -3.547 13.794 -3.126 1.00 0.00 C ATOM 1220 O ILE A 78 -2.415 13.437 -3.360 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.132 12.170 -4.153 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -3.917 11.274 -4.361 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.139 11.952 -5.283 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.351 10.871 -3.004 1.00 0.00 C ATOM 0 H ILE A 78 -3.193 13.486 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.450 14.322 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.617 11.932 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.198 10.387 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.159 11.798 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.473 10.914 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.996 12.610 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.667 12.176 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.481 10.230 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.056 11.764 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.110 10.331 -2.439 1.00 0.00 H new ATOM 1236 N LYS A 79 -3.858 14.327 -1.983 1.00 0.00 N ATOM 1237 CA LYS A 79 -2.808 14.503 -0.947 1.00 0.00 C ATOM 1238 C LYS A 79 -3.196 13.737 0.318 1.00 0.00 C ATOM 1239 O LYS A 79 -4.353 13.683 0.687 1.00 0.00 O ATOM 1240 CB LYS A 79 -2.763 16.006 -0.667 1.00 0.00 C ATOM 1241 CG LYS A 79 -2.583 16.773 -1.979 1.00 0.00 C ATOM 1242 CD LYS A 79 -1.344 16.260 -2.717 1.00 0.00 C ATOM 1243 CE LYS A 79 -0.193 16.069 -1.727 1.00 0.00 C ATOM 1244 NZ LYS A 79 0.928 15.524 -2.543 1.00 0.00 N ATOM 0 H LYS A 79 -4.790 14.648 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.839 14.125 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.683 16.321 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.943 16.234 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.467 16.651 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.481 17.839 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.570 15.316 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.054 16.967 -3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.083 17.012 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.470 15.382 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.544 14.941 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.545 14.940 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.479 16.309 -2.945 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.247 13.140 0.985 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.589 12.384 2.219 1.00 0.00 C ATOM 1260 C ILE A 80 -3.220 13.313 3.242 1.00 0.00 C ATOM 1261 O ILE A 80 -2.558 13.997 3.996 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.276 11.817 2.725 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -0.997 10.509 1.991 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.350 11.555 4.234 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -1.021 10.753 0.480 1.00 0.00 C ATOM 0 H ILE A 80 -1.259 13.143 0.731 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.312 11.591 2.031 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.476 12.534 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.027 10.112 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.744 9.762 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.400 11.148 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.556 12.489 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.147 10.841 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.821 9.818 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.001 11.130 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.258 11.485 0.218 1.00 0.00 H new ATOM 1277 N THR A 81 -4.501 13.309 3.261 1.00 0.00 N ATOM 1278 CA THR A 81 -5.255 14.153 4.221 1.00 0.00 C ATOM 1279 C THR A 81 -5.626 13.310 5.434 1.00 0.00 C ATOM 1280 O THR A 81 -6.654 13.513 6.049 1.00 0.00 O ATOM 1281 CB THR A 81 -6.518 14.554 3.461 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.385 13.433 3.373 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.146 15.025 2.055 1.00 0.00 C ATOM 0 H THR A 81 -5.083 12.746 2.640 1.00 0.00 H new ATOM 0 HA THR A 81 -4.690 15.017 4.571 1.00 0.00 H new ATOM 0 HB THR A 81 -7.019 15.365 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.198 13.686 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.049 15.310 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.478 15.884 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.645 14.217 1.521 1.00 0.00 H new ATOM 1291 N SER A 82 -4.824 12.332 5.756 1.00 0.00 N ATOM 1292 CA SER A 82 -5.163 11.439 6.901 1.00 0.00 C ATOM 1293 C SER A 82 -6.348 10.564 6.483 1.00 0.00 C ATOM 1294 O SER A 82 -6.281 9.351 6.510 1.00 0.00 O ATOM 1295 CB SER A 82 -5.546 12.367 8.057 1.00 0.00 C ATOM 1296 OG SER A 82 -6.962 12.477 8.122 1.00 0.00 O ATOM 0 H SER A 82 -3.950 12.113 5.277 1.00 0.00 H new ATOM 0 HA SER A 82 -4.342 10.786 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.157 11.976 8.997 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.100 13.351 7.912 1.00 0.00 H new ATOM 0 HG SER A 82 -7.260 13.212 7.546 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.426 11.180 6.071 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.612 10.408 5.618 1.00 0.00 C ATOM 1304 C ASP A 83 -8.256 9.571 4.389 1.00 0.00 C ATOM 1305 O ASP A 83 -8.630 8.419 4.288 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.640 11.468 5.242 1.00 0.00 C ATOM 1307 CG ASP A 83 -10.180 12.130 6.510 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -10.651 11.412 7.375 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -10.113 13.345 6.595 1.00 0.00 O ATOM 0 H ASP A 83 -7.532 12.194 6.030 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.978 9.723 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.185 12.217 4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.457 11.014 4.680 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.524 10.126 3.455 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.153 9.319 2.260 1.00 0.00 C ATOM 1316 C LEU A 84 -6.361 8.126 2.753 1.00 0.00 C ATOM 1317 O LEU A 84 -6.430 7.039 2.217 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.286 10.230 1.385 1.00 0.00 C ATOM 1319 CG LEU A 84 -7.086 11.457 0.932 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -6.434 12.050 -0.318 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -8.528 11.056 0.603 1.00 0.00 C ATOM 0 H LEU A 84 -7.175 11.084 3.469 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.011 8.962 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.405 10.548 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.931 9.678 0.515 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.094 12.193 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.999 12.923 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.410 12.346 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.427 11.305 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.086 11.936 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.526 10.316 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.999 10.631 1.489 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.630 8.332 3.803 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.839 7.226 4.392 1.00 0.00 C ATOM 1335 C LEU A 85 -5.761 6.348 5.233 1.00 0.00 C ATOM 1336 O LEU A 85 -5.732 5.140 5.156 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.816 7.917 5.284 1.00 0.00 C ATOM 1338 CG LEU A 85 -2.758 8.603 4.426 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.567 8.977 5.306 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.287 7.657 3.317 1.00 0.00 C ATOM 0 H LEU A 85 -5.545 9.228 4.284 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.366 6.592 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.312 8.650 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.345 7.188 5.944 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.186 9.498 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.806 9.468 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.896 9.654 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.148 8.076 5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.532 8.156 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.859 6.759 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.134 7.382 2.689 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.583 6.963 6.036 1.00 0.00 N ATOM 1353 CA ASP A 86 -7.522 6.180 6.892 1.00 0.00 C ATOM 1354 C ASP A 86 -8.228 5.112 6.056 1.00 0.00 C ATOM 1355 O ASP A 86 -8.582 4.058 6.548 1.00 0.00 O ATOM 1356 CB ASP A 86 -8.527 7.204 7.423 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.994 6.785 8.818 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -8.352 7.177 9.779 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -9.985 6.078 8.904 1.00 0.00 O ATOM 0 H ASP A 86 -6.647 7.976 6.138 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.009 5.661 7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.069 8.192 7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.380 7.275 6.748 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.417 5.362 4.790 1.00 0.00 N ATOM 1365 CA LYS A 87 -9.077 4.348 3.926 1.00 0.00 C ATOM 1366 C LYS A 87 -8.001 3.454 3.331 1.00 0.00 C ATOM 1367 O LYS A 87 -8.094 2.243 3.356 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.795 5.147 2.839 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.687 6.203 3.494 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.635 5.529 4.486 1.00 0.00 C ATOM 1371 CE LYS A 87 -13.065 6.018 4.241 1.00 0.00 C ATOM 1372 NZ LYS A 87 -13.329 6.996 5.332 1.00 0.00 N ATOM 0 H LYS A 87 -8.143 6.224 4.318 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.780 3.712 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.068 5.625 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.395 4.481 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.074 6.944 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.258 6.734 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.586 4.446 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.331 5.758 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.160 6.485 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.775 5.192 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.035 6.603 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.446 7.187 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.690 7.882 4.924 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.957 4.047 2.826 1.00 0.00 N ATOM 1387 CA ILE A 88 -5.851 3.234 2.263 1.00 0.00 C ATOM 1388 C ILE A 88 -5.253 2.385 3.384 1.00 0.00 C ATOM 1389 O ILE A 88 -4.669 1.342 3.155 1.00 0.00 O ATOM 1390 CB ILE A 88 -4.840 4.257 1.753 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -5.366 4.897 0.472 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.511 3.571 1.475 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -4.822 6.320 0.365 1.00 0.00 C ATOM 0 H ILE A 88 -6.824 5.057 2.780 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.166 2.558 1.468 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.693 5.028 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.059 4.311 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.456 4.910 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.792 4.305 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.136 3.119 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.652 2.796 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.194 6.784 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.151 6.901 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.733 6.292 0.340 1.00 0.00 H new ATOM 1405 N PHE A 89 -5.417 2.828 4.602 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.890 2.063 5.768 1.00 0.00 C ATOM 1407 C PHE A 89 -5.916 1.021 6.179 1.00 0.00 C ATOM 1408 O PHE A 89 -5.594 -0.032 6.695 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.692 3.104 6.870 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.748 2.563 7.916 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -4.133 1.476 8.711 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -2.489 3.148 8.092 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -3.257 0.974 9.681 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -1.612 2.647 9.062 1.00 0.00 C ATOM 1415 CZ PHE A 89 -1.997 1.560 9.856 1.00 0.00 C ATOM 0 H PHE A 89 -5.898 3.695 4.840 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.960 1.538 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.292 4.025 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.651 3.353 7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.105 1.025 8.576 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.193 3.987 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.553 0.135 10.294 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.640 3.098 9.197 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.321 1.173 10.604 1.00 0.00 H new ATOM 1425 N ALA A 90 -7.150 1.301 5.911 1.00 0.00 N ATOM 1426 CA ALA A 90 -8.226 0.332 6.229 1.00 0.00 C ATOM 1427 C ALA A 90 -8.103 -0.813 5.238 1.00 0.00 C ATOM 1428 O ALA A 90 -8.447 -1.945 5.515 1.00 0.00 O ATOM 1429 CB ALA A 90 -9.534 1.097 6.029 1.00 0.00 C ATOM 0 H ALA A 90 -7.466 2.170 5.480 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.176 -0.074 7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.376 0.441 6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.560 1.955 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.600 1.441 4.997 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.571 -0.516 4.085 1.00 0.00 N ATOM 1436 CA GLY A 91 -7.367 -1.569 3.066 1.00 0.00 C ATOM 1437 C GLY A 91 -6.235 -2.459 3.561 1.00 0.00 C ATOM 1438 O GLY A 91 -6.345 -3.667 3.600 1.00 0.00 O ATOM 0 H GLY A 91 -7.269 0.418 3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.279 -2.149 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.116 -1.128 2.101 1.00 0.00 H new ATOM 1442 N VAL A 92 -5.155 -1.854 3.982 1.00 0.00 N ATOM 1443 CA VAL A 92 -4.022 -2.648 4.523 1.00 0.00 C ATOM 1444 C VAL A 92 -4.528 -3.422 5.738 1.00 0.00 C ATOM 1445 O VAL A 92 -4.001 -4.456 6.102 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.971 -1.611 4.929 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -2.034 -2.202 5.988 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -2.155 -1.210 3.698 1.00 0.00 C ATOM 0 H VAL A 92 -5.012 -0.844 3.973 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.607 -3.365 3.814 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.472 -0.736 5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.290 -1.458 6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.612 -2.489 6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.533 -3.080 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.406 -0.472 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.660 -2.090 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.818 -0.782 2.946 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.568 -2.926 6.352 1.00 0.00 N ATOM 1459 CA ASP A 93 -6.145 -3.624 7.528 1.00 0.00 C ATOM 1460 C ASP A 93 -6.714 -4.958 7.065 1.00 0.00 C ATOM 1461 O ASP A 93 -6.519 -5.983 7.688 1.00 0.00 O ATOM 1462 CB ASP A 93 -7.256 -2.699 8.030 1.00 0.00 C ATOM 1463 CG ASP A 93 -7.249 -2.677 9.560 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -6.969 -3.709 10.147 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -7.527 -1.629 10.119 1.00 0.00 O ATOM 0 H ASP A 93 -6.042 -2.063 6.086 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.418 -3.827 8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.109 -1.692 7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.224 -3.044 7.665 1.00 0.00 H new ATOM 1470 N MET A 94 -7.393 -4.956 5.952 1.00 0.00 N ATOM 1471 CA MET A 94 -7.946 -6.228 5.427 1.00 0.00 C ATOM 1472 C MET A 94 -6.801 -7.049 4.840 1.00 0.00 C ATOM 1473 O MET A 94 -6.693 -8.237 5.062 1.00 0.00 O ATOM 1474 CB MET A 94 -8.942 -5.824 4.340 1.00 0.00 C ATOM 1475 CG MET A 94 -9.906 -4.776 4.898 1.00 0.00 C ATOM 1476 SD MET A 94 -11.431 -4.779 3.924 1.00 0.00 S ATOM 1477 CE MET A 94 -10.663 -4.537 2.304 1.00 0.00 C ATOM 0 H MET A 94 -7.587 -4.129 5.387 1.00 0.00 H new ATOM 0 HA MET A 94 -8.433 -6.831 6.193 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.412 -5.423 3.476 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.496 -6.697 3.996 1.00 0.00 H new ATOM 0 HG2 MET A 94 -10.129 -4.991 5.943 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.444 -3.789 4.867 1.00 0.00 H new ATOM 0 HE1 MET A 94 -11.427 -4.260 1.577 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.919 -3.743 2.369 1.00 0.00 H new ATOM 0 HE3 MET A 94 -10.180 -5.462 1.989 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.929 -6.407 4.108 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.769 -7.133 3.525 1.00 0.00 C ATOM 1489 C ILE A 95 -4.034 -7.867 4.651 1.00 0.00 C ATOM 1490 O ILE A 95 -3.567 -8.977 4.486 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.903 -6.027 2.894 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -4.129 -6.010 1.381 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -2.416 -6.270 3.171 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -3.799 -4.621 0.833 1.00 0.00 C ATOM 0 H ILE A 95 -5.972 -5.411 3.890 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.040 -7.885 2.784 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.190 -5.072 3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.502 -6.761 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.164 -6.266 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.826 -5.475 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.243 -6.278 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.119 -7.230 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.960 -4.608 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.445 -3.881 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.757 -4.383 1.048 1.00 0.00 H new ATOM 1506 N THR A 96 -3.947 -7.255 5.801 1.00 0.00 N ATOM 1507 CA THR A 96 -3.265 -7.913 6.946 1.00 0.00 C ATOM 1508 C THR A 96 -4.152 -9.040 7.470 1.00 0.00 C ATOM 1509 O THR A 96 -3.696 -10.135 7.734 1.00 0.00 O ATOM 1510 CB THR A 96 -3.101 -6.811 7.995 1.00 0.00 C ATOM 1511 OG1 THR A 96 -1.999 -5.987 7.642 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.854 -7.438 9.368 1.00 0.00 C ATOM 0 H THR A 96 -4.320 -6.326 5.995 1.00 0.00 H new ATOM 0 HA THR A 96 -2.303 -8.351 6.680 1.00 0.00 H new ATOM 0 HB THR A 96 -4.009 -6.209 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.305 -5.266 7.053 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.738 -6.650 10.112 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.701 -8.069 9.637 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.947 -8.042 9.334 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.426 -8.782 7.606 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.350 -9.843 8.096 1.00 0.00 C ATOM 1522 C ARG A 97 -6.524 -10.910 7.015 1.00 0.00 C ATOM 1523 O ARG A 97 -6.763 -12.067 7.301 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.676 -9.131 8.373 1.00 0.00 C ATOM 1525 CG ARG A 97 -7.498 -8.148 9.531 1.00 0.00 C ATOM 1526 CD ARG A 97 -8.420 -6.944 9.321 1.00 0.00 C ATOM 1527 NE ARG A 97 -9.350 -6.961 10.483 1.00 0.00 N ATOM 1528 CZ ARG A 97 -10.415 -7.713 10.456 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -11.310 -7.545 9.521 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -10.587 -8.636 11.362 1.00 0.00 N ATOM 0 H ARG A 97 -5.864 -7.885 7.399 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.974 -10.343 8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.009 -8.601 7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.448 -9.861 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.730 -8.637 10.477 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.460 -7.820 9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.852 -6.014 9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.964 -7.023 8.380 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.154 -6.384 11.301 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.177 -6.825 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.143 -8.134 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.888 -8.770 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.421 -9.223 11.340 1.00 0.00 H new ATOM 1544 N MET A 98 -6.384 -10.534 5.772 1.00 0.00 N ATOM 1545 CA MET A 98 -6.518 -11.528 4.675 1.00 0.00 C ATOM 1546 C MET A 98 -5.282 -12.416 4.675 1.00 0.00 C ATOM 1547 O MET A 98 -5.327 -13.580 4.331 1.00 0.00 O ATOM 1548 CB MET A 98 -6.571 -10.700 3.390 1.00 0.00 C ATOM 1549 CG MET A 98 -7.918 -9.989 3.286 1.00 0.00 C ATOM 1550 SD MET A 98 -7.716 -8.443 2.370 1.00 0.00 S ATOM 1551 CE MET A 98 -9.027 -8.735 1.160 1.00 0.00 C ATOM 0 H MET A 98 -6.183 -9.580 5.472 1.00 0.00 H new ATOM 0 HA MET A 98 -7.398 -12.163 4.778 1.00 0.00 H new ATOM 0 HB2 MET A 98 -5.763 -9.969 3.384 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.423 -11.346 2.524 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.642 -10.630 2.783 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.311 -9.785 4.282 1.00 0.00 H new ATOM 0 HE1 MET A 98 -9.499 -7.788 0.899 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.601 -9.187 0.264 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.772 -9.406 1.586 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.172 -11.859 5.066 1.00 0.00 N ATOM 1562 CA VAL A 99 -2.916 -12.638 5.099 1.00 0.00 C ATOM 1563 C VAL A 99 -2.786 -13.374 6.433 1.00 0.00 C ATOM 1564 O VAL A 99 -2.269 -14.472 6.497 1.00 0.00 O ATOM 1565 CB VAL A 99 -1.818 -11.589 4.942 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.476 -12.171 5.392 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.725 -11.169 3.474 1.00 0.00 C ATOM 0 H VAL A 99 -4.085 -10.888 5.366 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.869 -13.400 4.321 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.057 -10.722 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.304 -11.418 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.541 -12.470 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.233 -13.040 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.942 -10.420 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.488 -12.039 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.679 -10.749 3.155 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.267 -12.792 7.499 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.179 -13.485 8.815 1.00 0.00 C ATOM 1579 C ASP A 100 -4.065 -14.719 8.762 1.00 0.00 C ATOM 1580 O ASP A 100 -3.784 -15.735 9.366 1.00 0.00 O ATOM 1581 CB ASP A 100 -3.698 -12.479 9.843 1.00 0.00 C ATOM 1582 CG ASP A 100 -2.532 -11.957 10.682 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -1.761 -11.166 10.163 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -2.428 -12.357 11.831 1.00 0.00 O ATOM 0 H ASP A 100 -3.713 -11.875 7.515 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.168 -13.805 9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.195 -11.651 9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.440 -12.951 10.487 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.121 -14.638 8.009 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.023 -15.801 7.867 1.00 0.00 C ATOM 1591 C LYS A 101 -5.501 -16.681 6.728 1.00 0.00 C ATOM 1592 O LYS A 101 -5.815 -17.845 6.635 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.401 -15.197 7.556 1.00 0.00 C ATOM 1594 CG LYS A 101 -7.667 -15.241 6.055 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.034 -16.662 5.659 1.00 0.00 C ATOM 1596 CE LYS A 101 -9.489 -16.711 5.190 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.296 -16.590 6.437 1.00 0.00 N ATOM 0 H LYS A 101 -5.397 -13.809 7.483 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.079 -16.432 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.177 -15.749 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.443 -14.167 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.475 -14.557 5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.784 -14.913 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.374 -17.009 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.893 -17.333 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.709 -15.899 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.705 -17.643 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.290 -16.817 6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.931 -17.251 7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.231 -15.617 6.799 1.00 0.00 H new ATOM 1611 N ILE A 102 -4.691 -16.125 5.870 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.127 -16.928 4.754 1.00 0.00 C ATOM 1613 C ILE A 102 -3.041 -17.821 5.341 1.00 0.00 C ATOM 1614 O ILE A 102 -3.059 -19.027 5.194 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.574 -15.890 3.776 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.595 -15.665 2.660 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.250 -16.354 3.165 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.316 -14.332 1.966 1.00 0.00 C ATOM 0 H ILE A 102 -4.396 -15.149 5.895 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.839 -17.577 4.245 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.392 -14.963 4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.544 -16.480 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.604 -15.667 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.882 -15.595 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.518 -16.509 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.405 -17.289 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.046 -14.176 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.390 -13.522 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.313 -14.347 1.540 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.124 -17.237 6.061 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.077 -18.058 6.712 1.00 0.00 C ATOM 1632 C VAL A 103 -1.791 -19.027 7.651 1.00 0.00 C ATOM 1633 O VAL A 103 -1.329 -20.117 7.926 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.218 -17.062 7.495 1.00 0.00 C ATOM 1635 CG1 VAL A 103 0.528 -17.792 8.613 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.794 -16.407 6.550 1.00 0.00 C ATOM 0 H VAL A 103 -2.058 -16.232 6.224 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.460 -18.632 6.021 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.860 -16.296 7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.139 -17.080 9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.191 -18.257 9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.169 -18.560 8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.406 -15.698 7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.434 -17.174 6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.263 -15.883 5.755 1.00 0.00 H new ATOM 1646 N SER A 104 -2.940 -18.624 8.127 1.00 0.00 N ATOM 1647 CA SER A 104 -3.736 -19.493 9.035 1.00 0.00 C ATOM 1648 C SER A 104 -4.523 -20.513 8.222 1.00 0.00 C ATOM 1649 O SER A 104 -4.342 -21.708 8.346 1.00 0.00 O ATOM 1650 CB SER A 104 -4.688 -18.539 9.750 1.00 0.00 C ATOM 1651 OG SER A 104 -4.211 -18.298 11.068 1.00 0.00 O ATOM 0 H SER A 104 -3.363 -17.719 7.921 1.00 0.00 H new ATOM 0 HA SER A 104 -3.111 -20.050 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.761 -17.601 9.200 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.690 -18.966 9.786 1.00 0.00 H new ATOM 0 HG SER A 104 -4.820 -17.684 11.529 1.00 0.00 H new ATOM 1657 N GLU A 105 -5.395 -20.036 7.395 1.00 0.00 N ATOM 1658 CA GLU A 105 -6.218 -20.951 6.549 1.00 0.00 C ATOM 1659 C GLU A 105 -5.659 -20.992 5.128 1.00 0.00 C ATOM 1660 O GLU A 105 -5.591 -22.030 4.500 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.626 -20.345 6.544 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.974 -19.816 7.937 1.00 0.00 C ATOM 1663 CD GLU A 105 -8.050 -20.982 8.924 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -7.957 -22.114 8.479 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -8.199 -20.722 10.105 1.00 0.00 O ATOM 0 H GLU A 105 -5.581 -19.042 7.261 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.216 -21.972 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.680 -19.536 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.353 -21.098 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.221 -19.099 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.927 -19.287 7.909 1.00 0.00 H new ATOM 1672 N GLY A 106 -5.261 -19.862 4.619 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.705 -19.812 3.238 1.00 0.00 C ATOM 1674 C GLY A 106 -5.721 -19.156 2.304 1.00 0.00 C ATOM 1675 O GLY A 106 -5.737 -19.405 1.114 1.00 0.00 O ATOM 0 H GLY A 106 -5.297 -18.964 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.772 -19.249 3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.473 -20.819 2.891 1.00 0.00 H new ATOM 1679 N SER A 107 -6.579 -18.323 2.831 1.00 0.00 N ATOM 1680 CA SER A 107 -7.603 -17.662 1.963 1.00 0.00 C ATOM 1681 C SER A 107 -7.685 -16.163 2.228 1.00 0.00 C ATOM 1682 O SER A 107 -7.877 -15.717 3.335 1.00 0.00 O ATOM 1683 CB SER A 107 -8.926 -18.328 2.322 1.00 0.00 C ATOM 1684 OG SER A 107 -8.752 -19.149 3.471 1.00 0.00 O ATOM 0 H SER A 107 -6.617 -18.071 3.819 1.00 0.00 H new ATOM 0 HA SER A 107 -7.350 -17.773 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.685 -17.570 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.281 -18.928 1.484 1.00 0.00 H new ATOM 0 HG SER A 107 -9.604 -19.575 3.701 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.586 -15.377 1.203 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.703 -13.907 1.387 1.00 0.00 C ATOM 1692 C ASP A 108 -9.185 -13.533 1.385 1.00 0.00 C ATOM 1693 O ASP A 108 -9.547 -12.375 1.310 1.00 0.00 O ATOM 1694 CB ASP A 108 -6.994 -13.294 0.181 1.00 0.00 C ATOM 1695 CG ASP A 108 -7.769 -13.642 -1.091 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -8.796 -13.025 -1.324 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -7.323 -14.521 -1.811 1.00 0.00 O ATOM 0 H ASP A 108 -7.429 -15.685 0.243 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.267 -13.556 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.927 -12.212 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.974 -13.671 0.114 1.00 0.00 H new ATOM 1702 N ASP A 109 -10.046 -14.515 1.454 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.510 -14.226 1.441 1.00 0.00 C ATOM 1704 C ASP A 109 -12.017 -13.910 2.852 1.00 0.00 C ATOM 1705 O ASP A 109 -12.473 -14.778 3.568 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.157 -15.509 0.913 1.00 0.00 C ATOM 1707 CG ASP A 109 -12.469 -15.349 -0.576 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -11.552 -15.070 -1.329 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -13.624 -15.510 -0.939 1.00 0.00 O ATOM 0 H ASP A 109 -9.799 -15.502 1.519 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.749 -13.358 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.488 -16.356 1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.072 -15.722 1.466 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.954 -12.667 3.248 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.448 -12.286 4.605 1.00 0.00 C ATOM 1716 C ILE A 110 -13.662 -11.362 4.467 1.00 0.00 C ATOM 1717 O ILE A 110 -13.886 -10.492 5.285 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.289 -11.532 5.261 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.992 -10.264 4.456 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -10.042 -12.422 5.298 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.727 -9.098 5.410 1.00 0.00 C ATOM 0 H ILE A 110 -11.582 -11.898 2.691 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.753 -13.152 5.192 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.564 -11.263 6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.127 -10.424 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.834 -10.030 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.221 -11.879 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.255 -13.323 5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.761 -12.698 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.516 -8.197 4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -11.605 -8.932 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.871 -9.333 6.043 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.434 -11.533 3.429 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.619 -10.651 3.231 1.00 0.00 C ATOM 1735 C GLY A 111 -15.139 -9.265 2.793 1.00 0.00 C ATOM 1736 O GLY A 111 -15.910 -8.332 2.684 1.00 0.00 O ATOM 0 H GLY A 111 -14.296 -12.244 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.283 -11.075 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.192 -10.577 4.155 1.00 0.00 H new ATOM 1740 N GLU A 112 -13.864 -9.130 2.542 1.00 0.00 N ATOM 1741 CA GLU A 112 -13.309 -7.815 2.111 1.00 0.00 C ATOM 1742 C GLU A 112 -14.165 -7.197 1.002 1.00 0.00 C ATOM 1743 O GLU A 112 -15.121 -7.784 0.536 1.00 0.00 O ATOM 1744 CB GLU A 112 -11.916 -8.143 1.579 1.00 0.00 C ATOM 1745 CG GLU A 112 -12.020 -9.309 0.596 1.00 0.00 C ATOM 1746 CD GLU A 112 -11.698 -8.822 -0.817 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -12.584 -8.263 -1.444 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -10.575 -9.017 -1.249 1.00 0.00 O ATOM 0 H GLU A 112 -13.178 -9.881 2.618 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.289 -7.093 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.487 -7.271 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.250 -8.403 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.330 -10.102 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.024 -9.733 0.625 1.00 0.00 H new ATOM 1755 N ASN A 113 -13.815 -6.014 0.573 1.00 0.00 N ATOM 1756 CA ASN A 113 -14.587 -5.342 -0.511 1.00 0.00 C ATOM 1757 C ASN A 113 -13.665 -4.418 -1.306 1.00 0.00 C ATOM 1758 O ASN A 113 -13.738 -3.217 -1.194 1.00 0.00 O ATOM 1759 CB ASN A 113 -15.670 -4.538 0.210 1.00 0.00 C ATOM 1760 CG ASN A 113 -16.345 -5.421 1.262 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.328 -6.077 0.979 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -15.857 -5.466 2.471 1.00 0.00 N ATOM 0 H ASN A 113 -13.022 -5.481 0.930 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.018 -6.051 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.231 -3.660 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.408 -4.178 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.301 -6.052 3.179 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.032 -4.915 2.709 1.00 0.00 H new ATOM 1769 N ILE A 114 -12.797 -4.974 -2.107 1.00 0.00 N ATOM 1770 CA ILE A 114 -11.866 -4.126 -2.907 1.00 0.00 C ATOM 1771 C ILE A 114 -12.652 -3.289 -3.922 1.00 0.00 C ATOM 1772 O ILE A 114 -12.629 -2.075 -3.882 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.929 -5.124 -3.602 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.742 -5.415 -2.686 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.408 -4.546 -4.920 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -10.252 -5.794 -1.297 1.00 0.00 C ATOM 0 H ILE A 114 -12.692 -5.979 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.310 -3.416 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.483 -6.039 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.141 -6.226 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.096 -4.540 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.746 -5.268 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.248 -4.332 -5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.859 -3.626 -4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.405 -6.002 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -10.835 -4.970 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.881 -6.681 -1.370 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.349 -3.921 -4.828 1.00 0.00 N ATOM 1789 CA ASP A 115 -14.132 -3.142 -5.829 1.00 0.00 C ATOM 1790 C ASP A 115 -14.866 -2.011 -5.124 1.00 0.00 C ATOM 1791 O ASP A 115 -15.133 -0.965 -5.684 1.00 0.00 O ATOM 1792 CB ASP A 115 -15.126 -4.138 -6.428 1.00 0.00 C ATOM 1793 CG ASP A 115 -14.694 -4.506 -7.849 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -14.099 -3.665 -8.503 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -14.967 -5.622 -8.258 1.00 0.00 O ATOM 0 H ASP A 115 -13.410 -4.935 -4.918 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.503 -2.696 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -15.176 -5.034 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -16.126 -3.705 -6.442 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.182 -2.229 -3.891 1.00 0.00 N ATOM 1801 CA VAL A 116 -15.897 -1.197 -3.093 1.00 0.00 C ATOM 1802 C VAL A 116 -14.904 -0.302 -2.371 1.00 0.00 C ATOM 1803 O VAL A 116 -14.944 0.907 -2.466 1.00 0.00 O ATOM 1804 CB VAL A 116 -16.734 -1.991 -2.092 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.369 -1.036 -1.079 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -17.835 -2.748 -2.838 1.00 0.00 C ATOM 0 H VAL A 116 -14.975 -3.091 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.510 -0.544 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.094 -2.700 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -17.965 -1.606 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.585 -0.496 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.009 -0.325 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.434 -3.315 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.473 -2.038 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.384 -3.431 -3.558 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.018 -0.900 -1.650 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.001 -0.109 -0.901 1.00 0.00 C ATOM 1818 C PHE A 117 -12.122 0.661 -1.886 1.00 0.00 C ATOM 1819 O PHE A 117 -11.435 1.595 -1.524 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.167 -1.141 -0.140 1.00 0.00 C ATOM 1821 CG PHE A 117 -12.828 -1.458 1.180 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -14.221 -1.589 1.255 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -12.047 -1.621 2.330 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -14.830 -1.882 2.481 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -12.658 -1.914 3.555 1.00 0.00 C ATOM 1826 CZ PHE A 117 -14.049 -2.045 3.631 1.00 0.00 C ATOM 0 H PHE A 117 -13.946 -1.911 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.455 0.618 -0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.065 -2.049 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.161 -0.756 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -14.824 -1.464 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.973 -1.521 2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -15.904 -1.982 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -12.055 -2.039 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 117 -14.520 -2.272 4.576 1.00 0.00 H new ATOM 1836 N SER A 118 -12.154 0.282 -3.132 1.00 0.00 N ATOM 1837 CA SER A 118 -11.347 0.979 -4.148 1.00 0.00 C ATOM 1838 C SER A 118 -12.189 2.072 -4.756 1.00 0.00 C ATOM 1839 O SER A 118 -11.723 3.154 -5.012 1.00 0.00 O ATOM 1840 CB SER A 118 -11.006 -0.089 -5.184 1.00 0.00 C ATOM 1841 OG SER A 118 -10.237 0.496 -6.227 1.00 0.00 O ATOM 0 H SER A 118 -12.715 -0.493 -3.486 1.00 0.00 H new ATOM 0 HA SER A 118 -10.443 1.437 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.448 -0.900 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.920 -0.523 -5.590 1.00 0.00 H new ATOM 0 HG SER A 118 -10.015 -0.188 -6.893 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.438 1.784 -4.951 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.363 2.796 -5.526 1.00 0.00 C ATOM 1849 C ASP A 119 -14.779 3.750 -4.424 1.00 0.00 C ATOM 1850 O ASP A 119 -15.055 4.909 -4.648 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.563 2.007 -6.051 1.00 0.00 C ATOM 1852 CG ASP A 119 -16.439 2.922 -6.909 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -16.804 3.982 -6.428 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -16.730 2.547 -8.033 1.00 0.00 O ATOM 0 H ASP A 119 -13.865 0.883 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.910 3.384 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.222 1.155 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.142 1.608 -5.218 1.00 0.00 H new ATOM 1859 N THR A 120 -14.781 3.260 -3.228 1.00 0.00 N ATOM 1860 CA THR A 120 -15.130 4.114 -2.065 1.00 0.00 C ATOM 1861 C THR A 120 -14.017 5.132 -1.886 1.00 0.00 C ATOM 1862 O THR A 120 -14.236 6.308 -1.681 1.00 0.00 O ATOM 1863 CB THR A 120 -15.198 3.144 -0.879 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.505 2.591 -0.793 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.870 3.877 0.421 1.00 0.00 C ATOM 0 H THR A 120 -14.553 2.292 -2.999 1.00 0.00 H new ATOM 0 HA THR A 120 -16.067 4.660 -2.174 1.00 0.00 H new ATOM 0 HB THR A 120 -14.470 2.347 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.545 1.763 -1.316 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.922 3.178 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.865 4.295 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.589 4.681 0.576 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.821 4.659 -1.993 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.633 5.539 -1.869 1.00 0.00 C ATOM 1875 C ILE A 121 -11.517 6.394 -3.134 1.00 0.00 C ATOM 1876 O ILE A 121 -11.269 7.583 -3.077 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.468 4.547 -1.723 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -9.890 4.654 -0.313 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.366 4.818 -2.752 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -8.702 3.701 -0.174 1.00 0.00 C ATOM 0 H ILE A 121 -12.606 3.677 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.667 6.237 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.851 3.542 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.573 5.678 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.654 4.409 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.559 4.098 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.776 4.722 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.978 5.827 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.290 3.778 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.033 2.678 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -7.935 3.967 -0.901 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.713 5.792 -4.277 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.638 6.554 -5.544 1.00 0.00 C ATOM 1894 C LYS A 122 -12.747 7.592 -5.554 1.00 0.00 C ATOM 1895 O LYS A 122 -12.597 8.687 -6.057 1.00 0.00 O ATOM 1896 CB LYS A 122 -11.860 5.508 -6.633 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.534 5.275 -7.355 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.177 3.790 -7.336 1.00 0.00 C ATOM 1899 CE LYS A 122 -8.968 3.574 -6.423 1.00 0.00 C ATOM 1900 NZ LYS A 122 -8.145 2.540 -7.112 1.00 0.00 N ATOM 0 H LYS A 122 -11.923 4.799 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.694 7.081 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.223 4.577 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.620 5.848 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.605 5.626 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.744 5.853 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.025 3.205 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.952 3.445 -8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.407 4.498 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.276 3.238 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.222 2.460 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.635 1.623 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.003 2.814 -8.105 1.00 0.00 H new ATOM 1914 N SER A 123 -13.857 7.250 -4.972 1.00 0.00 N ATOM 1915 CA SER A 123 -14.988 8.204 -4.908 1.00 0.00 C ATOM 1916 C SER A 123 -14.750 9.192 -3.775 1.00 0.00 C ATOM 1917 O SER A 123 -15.416 10.201 -3.656 1.00 0.00 O ATOM 1918 CB SER A 123 -16.205 7.347 -4.609 1.00 0.00 C ATOM 1919 OG SER A 123 -16.632 6.698 -5.799 1.00 0.00 O ATOM 0 H SER A 123 -14.029 6.344 -4.535 1.00 0.00 H new ATOM 0 HA SER A 123 -15.109 8.777 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.963 6.608 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.009 7.965 -4.211 1.00 0.00 H new ATOM 0 HG SER A 123 -16.392 5.749 -5.758 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.792 8.903 -2.948 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.482 9.818 -1.816 1.00 0.00 C ATOM 1927 C PHE A 124 -12.695 11.018 -2.329 1.00 0.00 C ATOM 1928 O PHE A 124 -12.324 11.903 -1.583 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.629 8.991 -0.863 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.167 9.128 0.542 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -14.265 8.360 0.948 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -12.568 10.022 1.437 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -14.764 8.486 2.249 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -13.068 10.148 2.740 1.00 0.00 C ATOM 1935 CZ PHE A 124 -14.166 9.380 3.146 1.00 0.00 C ATOM 0 H PHE A 124 -13.206 8.070 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.379 10.201 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.637 7.944 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.593 9.326 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -14.727 7.670 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -11.721 10.614 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -15.611 7.893 2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -12.606 10.838 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 124 -14.552 9.477 4.150 1.00 0.00 H new