USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 668 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 60 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.26) USER MOD Set 1.2: A 124 MET CE :methyl 148:sc= 0 (180deg=-0.408) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.832 K(o=-0.83,f=-2.3!) USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.115 (180deg=-0.536) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -154:sc= -0.139 (180deg=-1.08) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-4.3!) USER MOD Single : A 95 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.492) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -15:sc= -1.06 USER MOD Single : A 103 CYS SG : rot 87:sc= 0.629 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 158:sc= -0.0584 (180deg=-0.481) USER MOD Single : A 112 GLN : amide:sc= -4.9! C(o=-4.9!,f=-3.7!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-2.1!) USER MOD Single : A 118 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.1) USER MOD Single : A 119 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0189) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.128 K(o=0.13,f=-1.9!) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 2.034 11.191 -3.808 1.00 0.00 N ATOM 157 CA ILE A 54 3.120 10.271 -4.123 1.00 0.00 C ATOM 158 C ILE A 54 2.606 8.844 -4.272 1.00 0.00 C ATOM 159 O ILE A 54 1.860 8.349 -3.426 1.00 0.00 O ATOM 160 CB ILE A 54 4.214 10.301 -3.039 1.00 0.00 C ATOM 161 CG1 ILE A 54 4.961 11.636 -3.073 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.181 9.142 -3.231 1.00 0.00 C ATOM 163 CD1 ILE A 54 5.919 11.822 -1.918 1.00 0.00 C ATOM 0 HA ILE A 54 3.548 10.600 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 54 3.740 10.196 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.515 11.709 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.235 12.449 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.948 9.176 -2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.638 8.200 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.651 9.219 -4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.413 12.790 -2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.368 11.781 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.667 11.030 -1.935 1.00 0.00 H new ATOM 175 N LYS A 55 3.011 8.185 -5.352 1.00 0.00 N ATOM 176 CA LYS A 55 2.595 6.812 -5.613 1.00 0.00 C ATOM 177 C LYS A 55 3.677 5.825 -5.187 1.00 0.00 C ATOM 178 O LYS A 55 4.781 5.825 -5.735 1.00 0.00 O ATOM 179 CB LYS A 55 2.276 6.627 -7.098 1.00 0.00 C ATOM 180 CG LYS A 55 3.510 6.496 -7.973 1.00 0.00 C ATOM 181 CD LYS A 55 3.173 6.679 -9.444 1.00 0.00 C ATOM 182 CE LYS A 55 4.363 7.212 -10.226 1.00 0.00 C ATOM 183 NZ LYS A 55 4.474 8.694 -10.127 1.00 0.00 N ATOM 0 H LYS A 55 3.628 8.580 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 55 1.697 6.614 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.658 5.737 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.685 7.476 -7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.250 7.238 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.962 5.516 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.856 5.726 -9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.333 7.367 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.278 6.754 -9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.268 6.924 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.297 9.018 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.611 9.133 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.591 8.968 -9.130 1.00 0.00 H new ATOM 197 N LEU A 56 3.355 4.985 -4.210 1.00 0.00 N ATOM 198 CA LEU A 56 4.300 3.992 -3.712 1.00 0.00 C ATOM 199 C LEU A 56 4.332 2.767 -4.621 1.00 0.00 C ATOM 200 O LEU A 56 3.288 2.221 -4.980 1.00 0.00 O ATOM 201 CB LEU A 56 3.930 3.575 -2.288 1.00 0.00 C ATOM 202 CG LEU A 56 4.362 4.531 -1.175 1.00 0.00 C ATOM 203 CD1 LEU A 56 3.870 4.034 0.176 1.00 0.00 C ATOM 204 CD2 LEU A 56 5.876 4.690 -1.168 1.00 0.00 C ATOM 0 H LEU A 56 2.446 4.972 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 56 5.292 4.443 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.848 3.454 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.370 2.597 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 56 3.914 5.507 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.187 4.727 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.782 3.971 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.288 3.047 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.166 5.373 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.343 3.719 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.204 5.091 -2.127 1.00 0.00 H new ATOM 216 N PHE A 57 5.535 2.339 -4.987 1.00 0.00 N ATOM 217 CA PHE A 57 5.703 1.177 -5.853 1.00 0.00 C ATOM 218 C PHE A 57 6.089 -0.055 -5.040 1.00 0.00 C ATOM 219 O PHE A 57 7.193 -0.134 -4.500 1.00 0.00 O ATOM 220 CB PHE A 57 6.767 1.456 -6.916 1.00 0.00 C ATOM 221 CG PHE A 57 7.206 0.228 -7.661 1.00 0.00 C ATOM 222 CD1 PHE A 57 6.445 -0.272 -8.706 1.00 0.00 C ATOM 223 CD2 PHE A 57 8.378 -0.425 -7.318 1.00 0.00 C ATOM 224 CE1 PHE A 57 6.846 -1.402 -9.395 1.00 0.00 C ATOM 225 CE2 PHE A 57 8.784 -1.555 -8.003 1.00 0.00 C ATOM 226 CZ PHE A 57 8.016 -2.044 -9.042 1.00 0.00 C ATOM 0 H PHE A 57 6.409 2.779 -4.698 1.00 0.00 H new ATOM 0 HA PHE A 57 4.751 0.981 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.376 2.183 -7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.635 1.912 -6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.529 0.227 -8.985 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.982 -0.047 -6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.245 -1.782 -10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.700 -2.055 -7.726 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.331 -2.928 -9.577 1.00 0.00 H new ATOM 236 N ILE A 58 5.173 -1.014 -4.959 1.00 0.00 N ATOM 237 CA ILE A 58 5.418 -2.242 -4.213 1.00 0.00 C ATOM 238 C ILE A 58 5.790 -3.388 -5.148 1.00 0.00 C ATOM 239 O ILE A 58 5.224 -3.528 -6.231 1.00 0.00 O ATOM 240 CB ILE A 58 4.187 -2.652 -3.383 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.532 -1.418 -2.758 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.582 -3.651 -2.307 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.422 -0.698 -1.770 1.00 0.00 C ATOM 0 H ILE A 58 4.255 -0.964 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 58 6.250 -2.040 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 58 3.464 -3.128 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.249 -0.726 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.613 -1.720 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.701 -3.931 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.007 -4.540 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.322 -3.200 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.894 0.166 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.685 -1.375 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.330 -0.366 -2.273 1.00 0.00 H new ATOM 255 N GLY A 59 6.747 -4.206 -4.721 1.00 0.00 N ATOM 256 CA GLY A 59 7.179 -5.330 -5.531 1.00 0.00 C ATOM 257 C GLY A 59 7.313 -6.607 -4.725 1.00 0.00 C ATOM 258 O GLY A 59 6.983 -6.638 -3.540 1.00 0.00 O ATOM 0 H GLY A 59 7.231 -4.110 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.465 -5.487 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.137 -5.094 -5.994 1.00 0.00 H new ATOM 262 N GLN A 60 7.797 -7.664 -5.371 1.00 0.00 N ATOM 263 CA GLN A 60 7.971 -8.950 -4.706 1.00 0.00 C ATOM 264 C GLN A 60 6.647 -9.455 -4.141 1.00 0.00 C ATOM 265 O GLN A 60 6.543 -9.751 -2.950 1.00 0.00 O ATOM 266 CB GLN A 60 9.006 -8.833 -3.586 1.00 0.00 C ATOM 267 CG GLN A 60 10.441 -8.780 -4.087 1.00 0.00 C ATOM 268 CD GLN A 60 10.802 -9.973 -4.950 1.00 0.00 C ATOM 269 OE1 GLN A 60 11.070 -9.831 -6.144 1.00 0.00 O ATOM 270 NE2 GLN A 60 10.812 -11.157 -4.350 1.00 0.00 N ATOM 0 H GLN A 60 8.075 -7.655 -6.352 1.00 0.00 H new ATOM 0 HA GLN A 60 8.326 -9.668 -5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.800 -7.935 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.897 -9.682 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.588 -7.864 -4.660 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.118 -8.735 -3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.583 -11.228 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.048 -11.996 -4.880 1.00 0.00 H new ATOM 279 N ILE A 61 5.639 -9.549 -5.001 1.00 0.00 N ATOM 280 CA ILE A 61 4.323 -10.018 -4.587 1.00 0.00 C ATOM 281 C ILE A 61 3.791 -11.078 -5.545 1.00 0.00 C ATOM 282 O ILE A 61 3.734 -10.881 -6.759 1.00 0.00 O ATOM 283 CB ILE A 61 3.312 -8.859 -4.508 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.852 -7.742 -3.613 1.00 0.00 C ATOM 285 CG2 ILE A 61 1.972 -9.360 -3.990 1.00 0.00 C ATOM 286 CD1 ILE A 61 3.014 -6.483 -3.646 1.00 0.00 C ATOM 0 H ILE A 61 5.709 -9.306 -5.989 1.00 0.00 H new ATOM 0 HA ILE A 61 4.441 -10.455 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 61 3.164 -8.456 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.908 -8.105 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.869 -7.500 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.268 -8.530 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.584 -10.124 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.103 -9.786 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.456 -5.734 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.979 -6.096 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.003 -6.710 -3.309 1.00 0.00 H new ATOM 298 N PRO A 62 3.389 -12.230 -4.988 1.00 0.00 N ATOM 299 CA PRO A 62 2.851 -13.344 -5.775 1.00 0.00 C ATOM 300 C PRO A 62 1.477 -13.033 -6.357 1.00 0.00 C ATOM 301 O PRO A 62 0.776 -12.143 -5.876 1.00 0.00 O ATOM 302 CB PRO A 62 2.756 -14.483 -4.757 1.00 0.00 C ATOM 303 CG PRO A 62 2.629 -13.803 -3.438 1.00 0.00 C ATOM 304 CD PRO A 62 3.428 -12.534 -3.548 1.00 0.00 C ATOM 0 HA PRO A 62 3.478 -13.575 -6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.896 -15.122 -4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.641 -15.119 -4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.585 -13.588 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.009 -14.435 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.990 -11.731 -2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.450 -12.670 -3.194 1.00 0.00 H new ATOM 312 N ARG A 63 1.098 -13.771 -7.395 1.00 0.00 N ATOM 313 CA ARG A 63 -0.193 -13.573 -8.042 1.00 0.00 C ATOM 314 C ARG A 63 -1.283 -14.380 -7.342 1.00 0.00 C ATOM 315 O ARG A 63 -2.127 -14.996 -7.992 1.00 0.00 O ATOM 316 CB ARG A 63 -0.115 -13.973 -9.517 1.00 0.00 C ATOM 317 CG ARG A 63 -0.012 -15.474 -9.736 1.00 0.00 C ATOM 318 CD ARG A 63 1.424 -15.902 -9.997 1.00 0.00 C ATOM 319 NE ARG A 63 1.842 -15.608 -11.365 1.00 0.00 N ATOM 320 CZ ARG A 63 2.871 -16.200 -11.962 1.00 0.00 C ATOM 321 NH1 ARG A 63 3.582 -17.113 -11.314 1.00 0.00 N ATOM 322 NH2 ARG A 63 3.190 -15.880 -13.209 1.00 0.00 N ATOM 0 H ARG A 63 1.667 -14.511 -7.806 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.447 -12.515 -7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.999 -13.599 -10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.749 -13.488 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.395 -15.998 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.638 -15.763 -10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.087 -15.392 -9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.524 -16.971 -9.809 1.00 0.00 H new ATOM 0 HE ARG A 63 1.315 -14.910 -11.891 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.339 -17.362 -10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.371 -17.566 -11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.645 -15.179 -13.711 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.980 -16.335 -13.666 1.00 0.00 H new ATOM 336 N ASN A 64 -1.257 -14.372 -6.014 1.00 0.00 N ATOM 337 CA ASN A 64 -2.241 -15.104 -5.225 1.00 0.00 C ATOM 338 C ASN A 64 -2.965 -14.173 -4.257 1.00 0.00 C ATOM 339 O ASN A 64 -3.819 -14.606 -3.483 1.00 0.00 O ATOM 340 CB ASN A 64 -1.565 -16.237 -4.451 1.00 0.00 C ATOM 341 CG ASN A 64 -1.083 -15.794 -3.083 1.00 0.00 C ATOM 342 OD1 ASN A 64 -0.239 -14.906 -2.967 1.00 0.00 O ATOM 343 ND2 ASN A 64 -1.618 -16.415 -2.038 1.00 0.00 N ATOM 0 H ASN A 64 -0.565 -13.866 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.975 -15.528 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.266 -17.064 -4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.720 -16.613 -5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.332 -16.161 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.315 -17.146 -2.181 1.00 0.00 H new ATOM 350 N LEU A 65 -2.618 -12.891 -4.308 1.00 0.00 N ATOM 351 CA LEU A 65 -3.235 -11.897 -3.436 1.00 0.00 C ATOM 352 C LEU A 65 -4.301 -11.103 -4.184 1.00 0.00 C ATOM 353 O LEU A 65 -4.459 -11.247 -5.397 1.00 0.00 O ATOM 354 CB LEU A 65 -2.172 -10.947 -2.881 1.00 0.00 C ATOM 355 CG LEU A 65 -0.958 -11.608 -2.226 1.00 0.00 C ATOM 356 CD1 LEU A 65 0.055 -10.557 -1.798 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.388 -12.453 -1.037 1.00 0.00 C ATOM 0 H LEU A 65 -1.914 -12.516 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.713 -12.422 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.820 -10.312 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.645 -10.293 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.485 -12.262 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.912 -11.045 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.387 -9.995 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.407 -9.877 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.511 -12.916 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.886 -11.820 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.076 -13.230 -1.372 1.00 0.00 H new ATOM 369 N ASP A 66 -5.028 -10.265 -3.454 1.00 0.00 N ATOM 370 CA ASP A 66 -6.078 -9.446 -4.049 1.00 0.00 C ATOM 371 C ASP A 66 -6.079 -8.044 -3.448 1.00 0.00 C ATOM 372 O ASP A 66 -5.564 -7.829 -2.351 1.00 0.00 O ATOM 373 CB ASP A 66 -7.444 -10.103 -3.846 1.00 0.00 C ATOM 374 CG ASP A 66 -7.630 -10.629 -2.436 1.00 0.00 C ATOM 375 OD1 ASP A 66 -7.201 -11.771 -2.168 1.00 0.00 O ATOM 376 OD2 ASP A 66 -8.203 -9.899 -1.601 1.00 0.00 O ATOM 0 H ASP A 66 -4.910 -10.135 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.879 -9.364 -5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.228 -9.379 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.558 -10.923 -4.555 1.00 0.00 H new ATOM 381 N GLU A 67 -6.661 -7.094 -4.174 1.00 0.00 N ATOM 382 CA GLU A 67 -6.727 -5.713 -3.712 1.00 0.00 C ATOM 383 C GLU A 67 -7.449 -5.622 -2.371 1.00 0.00 C ATOM 384 O GLU A 67 -7.115 -4.789 -1.528 1.00 0.00 O ATOM 385 CB GLU A 67 -7.438 -4.839 -4.747 1.00 0.00 C ATOM 386 CG GLU A 67 -6.554 -4.440 -5.917 1.00 0.00 C ATOM 387 CD GLU A 67 -7.033 -3.177 -6.606 1.00 0.00 C ATOM 388 OE1 GLU A 67 -8.221 -2.826 -6.442 1.00 0.00 O ATOM 389 OE2 GLU A 67 -6.222 -2.540 -7.309 1.00 0.00 O ATOM 0 H GLU A 67 -7.093 -7.256 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.707 -5.351 -3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.308 -5.375 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.807 -3.938 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.534 -4.292 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.525 -5.255 -6.640 1.00 0.00 H new ATOM 396 N LYS A 68 -8.442 -6.484 -2.181 1.00 0.00 N ATOM 397 CA LYS A 68 -9.213 -6.503 -0.943 1.00 0.00 C ATOM 398 C LYS A 68 -8.410 -7.138 0.188 1.00 0.00 C ATOM 399 O LYS A 68 -8.787 -7.046 1.357 1.00 0.00 O ATOM 400 CB LYS A 68 -10.523 -7.268 -1.145 1.00 0.00 C ATOM 401 CG LYS A 68 -11.416 -7.281 0.083 1.00 0.00 C ATOM 402 CD LYS A 68 -12.806 -7.801 -0.244 1.00 0.00 C ATOM 403 CE LYS A 68 -13.590 -8.126 1.018 1.00 0.00 C ATOM 404 NZ LYS A 68 -12.938 -9.203 1.814 1.00 0.00 N ATOM 0 H LYS A 68 -8.732 -7.179 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.440 -5.472 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.069 -6.823 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.294 -8.295 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.965 -7.905 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.490 -6.273 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.346 -7.056 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.725 -8.694 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.683 -7.228 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.600 -8.434 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.646 -9.664 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.522 -9.907 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.189 -8.791 2.407 1.00 0.00 H new ATOM 418 N ASP A 69 -7.303 -7.781 -0.167 1.00 0.00 N ATOM 419 CA ASP A 69 -6.446 -8.429 0.819 1.00 0.00 C ATOM 420 C ASP A 69 -5.138 -7.663 0.989 1.00 0.00 C ATOM 421 O ASP A 69 -4.348 -7.954 1.888 1.00 0.00 O ATOM 422 CB ASP A 69 -6.157 -9.872 0.405 1.00 0.00 C ATOM 423 CG ASP A 69 -7.198 -10.844 0.926 1.00 0.00 C ATOM 424 OD1 ASP A 69 -8.377 -10.447 1.038 1.00 0.00 O ATOM 425 OD2 ASP A 69 -6.833 -12.001 1.220 1.00 0.00 O ATOM 0 H ASP A 69 -6.978 -7.867 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.971 -8.432 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.118 -9.934 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.174 -10.163 0.776 1.00 0.00 H new ATOM 430 N LEU A 70 -4.914 -6.684 0.118 1.00 0.00 N ATOM 431 CA LEU A 70 -3.700 -5.877 0.171 1.00 0.00 C ATOM 432 C LEU A 70 -4.007 -4.464 0.656 1.00 0.00 C ATOM 433 O LEU A 70 -3.215 -3.858 1.378 1.00 0.00 O ATOM 434 CB LEU A 70 -3.041 -5.823 -1.208 1.00 0.00 C ATOM 435 CG LEU A 70 -2.202 -7.040 -1.599 1.00 0.00 C ATOM 436 CD1 LEU A 70 -1.777 -6.950 -3.057 1.00 0.00 C ATOM 437 CD2 LEU A 70 -0.984 -7.161 -0.694 1.00 0.00 C ATOM 0 H LEU A 70 -5.557 -6.431 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.013 -6.343 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.822 -5.689 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.404 -4.939 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.814 -7.934 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.181 -7.825 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.662 -6.912 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.183 -6.048 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.398 -8.033 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.371 -6.264 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.309 -7.273 0.340 1.00 0.00 H new ATOM 449 N LYS A 71 -5.163 -3.944 0.257 1.00 0.00 N ATOM 450 CA LYS A 71 -5.578 -2.604 0.654 1.00 0.00 C ATOM 451 C LYS A 71 -5.645 -2.482 2.173 1.00 0.00 C ATOM 452 O LYS A 71 -5.211 -1.491 2.760 1.00 0.00 O ATOM 453 CB LYS A 71 -6.940 -2.268 0.043 1.00 0.00 C ATOM 454 CG LYS A 71 -7.224 -0.777 -0.028 1.00 0.00 C ATOM 455 CD LYS A 71 -8.640 -0.502 -0.506 1.00 0.00 C ATOM 456 CE LYS A 71 -8.986 0.976 -0.400 1.00 0.00 C ATOM 457 NZ LYS A 71 -10.032 1.372 -1.383 1.00 0.00 N ATOM 0 H LYS A 71 -5.830 -4.431 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.836 -1.896 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.991 -2.687 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.721 -2.751 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.078 -0.330 0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.512 -0.302 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.746 -0.828 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.345 -1.085 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.334 1.196 0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.088 1.572 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.240 2.386 -1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.690 1.186 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.897 0.822 -1.210 1.00 0.00 H new ATOM 471 N PRO A 72 -6.201 -3.513 2.826 1.00 0.00 N ATOM 472 CA PRO A 72 -6.336 -3.546 4.285 1.00 0.00 C ATOM 473 C PRO A 72 -5.041 -3.168 4.996 1.00 0.00 C ATOM 474 O PRO A 72 -4.983 -2.166 5.709 1.00 0.00 O ATOM 475 CB PRO A 72 -6.699 -5.004 4.575 1.00 0.00 C ATOM 476 CG PRO A 72 -7.351 -5.488 3.326 1.00 0.00 C ATOM 477 CD PRO A 72 -6.740 -4.727 2.190 1.00 0.00 C ATOM 0 HA PRO A 72 -7.076 -2.829 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.813 -5.593 4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.372 -5.082 5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.196 -6.560 3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.428 -5.324 3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.955 -5.303 1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.480 -4.484 1.428 1.00 0.00 H new ATOM 485 N LEU A 73 -4.005 -3.975 4.796 1.00 0.00 N ATOM 486 CA LEU A 73 -2.709 -3.724 5.418 1.00 0.00 C ATOM 487 C LEU A 73 -2.352 -2.243 5.354 1.00 0.00 C ATOM 488 O LEU A 73 -2.310 -1.558 6.376 1.00 0.00 O ATOM 489 CB LEU A 73 -1.623 -4.553 4.731 1.00 0.00 C ATOM 490 CG LEU A 73 -1.701 -6.066 4.938 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.726 -6.782 4.017 1.00 0.00 C ATOM 492 CD2 LEU A 73 -1.423 -6.420 6.391 1.00 0.00 C ATOM 0 H LEU A 73 -4.037 -4.808 4.209 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.773 -4.018 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.662 -4.351 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.652 -4.208 5.085 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.710 -6.396 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.796 -7.858 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.971 -6.554 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.289 -6.448 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.483 -7.501 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.425 -6.076 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.161 -5.937 7.031 1.00 0.00 H new ATOM 504 N PHE A 74 -2.097 -1.753 4.145 1.00 0.00 N ATOM 505 CA PHE A 74 -1.744 -0.352 3.946 1.00 0.00 C ATOM 506 C PHE A 74 -2.736 0.564 4.656 1.00 0.00 C ATOM 507 O PHE A 74 -2.349 1.402 5.471 1.00 0.00 O ATOM 508 CB PHE A 74 -1.705 -0.021 2.453 1.00 0.00 C ATOM 509 CG PHE A 74 -0.615 -0.738 1.708 1.00 0.00 C ATOM 510 CD1 PHE A 74 0.703 -0.326 1.816 1.00 0.00 C ATOM 511 CD2 PHE A 74 -0.910 -1.824 0.900 1.00 0.00 C ATOM 512 CE1 PHE A 74 1.708 -0.984 1.132 1.00 0.00 C ATOM 513 CE2 PHE A 74 0.091 -2.486 0.214 1.00 0.00 C ATOM 514 CZ PHE A 74 1.401 -2.065 0.329 1.00 0.00 C ATOM 0 H PHE A 74 -2.128 -2.306 3.288 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.755 -0.188 4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.667 -0.275 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.571 1.054 2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.948 0.519 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.933 -2.157 0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.732 -0.653 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.151 -3.332 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.184 -2.580 -0.208 1.00 0.00 H new ATOM 524 N GLU A 75 -4.017 0.399 4.340 1.00 0.00 N ATOM 525 CA GLU A 75 -5.064 1.212 4.947 1.00 0.00 C ATOM 526 C GLU A 75 -4.753 1.493 6.414 1.00 0.00 C ATOM 527 O GLU A 75 -5.077 2.561 6.933 1.00 0.00 O ATOM 528 CB GLU A 75 -6.419 0.511 4.827 1.00 0.00 C ATOM 529 CG GLU A 75 -7.597 1.469 4.771 1.00 0.00 C ATOM 530 CD GLU A 75 -7.721 2.314 6.023 1.00 0.00 C ATOM 531 OE1 GLU A 75 -8.240 1.802 7.037 1.00 0.00 O ATOM 532 OE2 GLU A 75 -7.299 3.489 5.989 1.00 0.00 O ATOM 0 H GLU A 75 -4.354 -0.290 3.668 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.106 2.162 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.421 -0.107 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.548 -0.161 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.488 2.122 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.516 0.901 4.628 1.00 0.00 H new ATOM 539 N GLU A 76 -4.124 0.527 7.076 1.00 0.00 N ATOM 540 CA GLU A 76 -3.770 0.671 8.483 1.00 0.00 C ATOM 541 C GLU A 76 -2.705 1.747 8.670 1.00 0.00 C ATOM 542 O GLU A 76 -2.900 2.707 9.415 1.00 0.00 O ATOM 543 CB GLU A 76 -3.269 -0.661 9.044 1.00 0.00 C ATOM 544 CG GLU A 76 -4.296 -1.778 8.972 1.00 0.00 C ATOM 545 CD GLU A 76 -5.191 -1.828 10.195 1.00 0.00 C ATOM 546 OE1 GLU A 76 -4.710 -1.483 11.295 1.00 0.00 O ATOM 547 OE2 GLU A 76 -6.370 -2.214 10.053 1.00 0.00 O ATOM 0 H GLU A 76 -3.849 -0.363 6.661 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.665 0.973 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.377 -0.964 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.972 -0.519 10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.911 -1.644 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.782 -2.733 8.864 1.00 0.00 H new ATOM 554 N PHE A 77 -1.577 1.580 7.987 1.00 0.00 N ATOM 555 CA PHE A 77 -0.479 2.535 8.078 1.00 0.00 C ATOM 556 C PHE A 77 -0.900 3.900 7.540 1.00 0.00 C ATOM 557 O PHE A 77 -0.605 4.933 8.138 1.00 0.00 O ATOM 558 CB PHE A 77 0.737 2.022 7.304 1.00 0.00 C ATOM 559 CG PHE A 77 1.595 1.077 8.095 1.00 0.00 C ATOM 560 CD1 PHE A 77 2.473 1.554 9.055 1.00 0.00 C ATOM 561 CD2 PHE A 77 1.524 -0.290 7.878 1.00 0.00 C ATOM 562 CE1 PHE A 77 3.263 0.687 9.785 1.00 0.00 C ATOM 563 CE2 PHE A 77 2.312 -1.162 8.605 1.00 0.00 C ATOM 564 CZ PHE A 77 3.184 -0.673 9.558 1.00 0.00 C ATOM 0 H PHE A 77 -1.400 0.792 7.364 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.212 2.645 9.129 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.396 1.520 6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.342 2.872 6.988 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.541 2.617 9.235 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.846 -0.678 7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.941 1.072 10.532 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.246 -2.225 8.428 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.803 -1.353 10.125 1.00 0.00 H new ATOM 574 N GLY A 78 -1.592 3.894 6.404 1.00 0.00 N ATOM 575 CA GLY A 78 -2.042 5.136 5.803 1.00 0.00 C ATOM 576 C GLY A 78 -3.434 5.024 5.213 1.00 0.00 C ATOM 577 O GLY A 78 -3.885 3.931 4.869 1.00 0.00 O ATOM 0 H GLY A 78 -1.849 3.051 5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.032 5.925 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.342 5.432 5.022 1.00 0.00 H new ATOM 581 N LYS A 79 -4.118 6.157 5.097 1.00 0.00 N ATOM 582 CA LYS A 79 -5.468 6.183 4.545 1.00 0.00 C ATOM 583 C LYS A 79 -5.433 6.141 3.021 1.00 0.00 C ATOM 584 O LYS A 79 -5.630 7.161 2.359 1.00 0.00 O ATOM 585 CB LYS A 79 -6.209 7.436 5.016 1.00 0.00 C ATOM 586 CG LYS A 79 -7.720 7.282 5.024 1.00 0.00 C ATOM 587 CD LYS A 79 -8.194 6.501 6.238 1.00 0.00 C ATOM 588 CE LYS A 79 -8.488 7.422 7.413 1.00 0.00 C ATOM 589 NZ LYS A 79 -7.266 7.706 8.214 1.00 0.00 N ATOM 0 H LYS A 79 -3.760 7.070 5.378 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.998 5.300 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.873 7.690 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.941 8.271 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.187 8.267 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.040 6.773 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.092 5.938 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.433 5.775 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.906 8.359 7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.243 6.965 8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.537 7.938 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.649 6.869 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.756 8.511 7.796 1.00 0.00 H new ATOM 603 N ILE A 80 -5.183 4.958 2.471 1.00 0.00 N ATOM 604 CA ILE A 80 -5.126 4.785 1.025 1.00 0.00 C ATOM 605 C ILE A 80 -6.182 5.636 0.327 1.00 0.00 C ATOM 606 O ILE A 80 -7.186 6.016 0.930 1.00 0.00 O ATOM 607 CB ILE A 80 -5.325 3.311 0.626 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.260 2.433 1.287 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.279 3.161 -0.887 1.00 0.00 C ATOM 610 CD1 ILE A 80 -4.437 0.956 1.009 1.00 0.00 C ATOM 0 H ILE A 80 -5.017 4.105 3.005 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.135 5.108 0.708 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.305 2.985 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.276 2.745 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.283 2.597 2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.421 2.114 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.071 3.760 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.312 3.501 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.647 0.395 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.407 0.629 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.384 0.779 -0.065 1.00 0.00 H new ATOM 622 N TYR A 81 -5.950 5.929 -0.947 1.00 0.00 N ATOM 623 CA TYR A 81 -6.880 6.736 -1.728 1.00 0.00 C ATOM 624 C TYR A 81 -7.379 5.965 -2.947 1.00 0.00 C ATOM 625 O TYR A 81 -8.522 6.129 -3.373 1.00 0.00 O ATOM 626 CB TYR A 81 -6.212 8.038 -2.172 1.00 0.00 C ATOM 627 CG TYR A 81 -7.000 8.799 -3.214 1.00 0.00 C ATOM 628 CD1 TYR A 81 -7.023 8.381 -4.538 1.00 0.00 C ATOM 629 CD2 TYR A 81 -7.724 9.935 -2.872 1.00 0.00 C ATOM 630 CE1 TYR A 81 -7.742 9.074 -5.493 1.00 0.00 C ATOM 631 CE2 TYR A 81 -8.446 10.633 -3.820 1.00 0.00 C ATOM 632 CZ TYR A 81 -8.452 10.199 -5.129 1.00 0.00 C ATOM 633 OH TYR A 81 -9.170 10.891 -6.078 1.00 0.00 O ATOM 0 H TYR A 81 -5.125 5.620 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.735 6.973 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.066 8.677 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -5.223 7.811 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.470 7.499 -4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.722 10.278 -1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.748 8.737 -6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.003 11.514 -3.538 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.614 11.657 -5.658 1.00 0.00 H new ATOM 643 N GLU A 82 -6.512 5.124 -3.502 1.00 0.00 N ATOM 644 CA GLU A 82 -6.864 4.328 -4.672 1.00 0.00 C ATOM 645 C GLU A 82 -5.772 3.309 -4.985 1.00 0.00 C ATOM 646 O GLU A 82 -4.658 3.672 -5.363 1.00 0.00 O ATOM 647 CB GLU A 82 -7.092 5.235 -5.883 1.00 0.00 C ATOM 648 CG GLU A 82 -7.646 4.504 -7.095 1.00 0.00 C ATOM 649 CD GLU A 82 -8.203 5.449 -8.142 1.00 0.00 C ATOM 650 OE1 GLU A 82 -9.322 5.965 -7.941 1.00 0.00 O ATOM 651 OE2 GLU A 82 -7.518 5.672 -9.163 1.00 0.00 O ATOM 0 H GLU A 82 -5.562 4.976 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.786 3.791 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.780 6.033 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.149 5.708 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.857 3.898 -7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.431 3.820 -6.774 1.00 0.00 H new ATOM 658 N LEU A 83 -6.100 2.032 -4.824 1.00 0.00 N ATOM 659 CA LEU A 83 -5.149 0.958 -5.088 1.00 0.00 C ATOM 660 C LEU A 83 -5.337 0.398 -6.494 1.00 0.00 C ATOM 661 O LEU A 83 -6.460 0.134 -6.925 1.00 0.00 O ATOM 662 CB LEU A 83 -5.310 -0.159 -4.056 1.00 0.00 C ATOM 663 CG LEU A 83 -4.398 -1.373 -4.232 1.00 0.00 C ATOM 664 CD1 LEU A 83 -2.956 -1.009 -3.913 1.00 0.00 C ATOM 665 CD2 LEU A 83 -4.866 -2.524 -3.353 1.00 0.00 C ATOM 0 H LEU A 83 -7.018 1.715 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.143 1.371 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.135 0.261 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.345 -0.501 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.449 -1.693 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.322 -1.886 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.624 -0.217 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.888 -0.663 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.205 -3.380 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.846 -2.215 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.883 -2.803 -3.629 1.00 0.00 H new ATOM 677 N THR A 84 -4.229 0.215 -7.206 1.00 0.00 N ATOM 678 CA THR A 84 -4.271 -0.315 -8.563 1.00 0.00 C ATOM 679 C THR A 84 -3.224 -1.406 -8.759 1.00 0.00 C ATOM 680 O THR A 84 -2.026 -1.163 -8.617 1.00 0.00 O ATOM 681 CB THR A 84 -4.042 0.794 -9.607 1.00 0.00 C ATOM 682 OG1 THR A 84 -5.100 1.757 -9.538 1.00 0.00 O ATOM 683 CG2 THR A 84 -3.971 0.210 -11.010 1.00 0.00 C ATOM 0 H THR A 84 -3.291 0.426 -6.865 1.00 0.00 H new ATOM 0 HA THR A 84 -5.265 -0.739 -8.706 1.00 0.00 H new ATOM 0 HB THR A 84 -3.093 1.281 -9.385 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.947 2.460 -10.204 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.809 1.012 -11.730 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.147 -0.501 -11.067 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.907 -0.300 -11.240 1.00 0.00 H new ATOM 691 N VAL A 85 -3.684 -2.609 -9.088 1.00 0.00 N ATOM 692 CA VAL A 85 -2.787 -3.738 -9.306 1.00 0.00 C ATOM 693 C VAL A 85 -2.224 -3.726 -10.723 1.00 0.00 C ATOM 694 O VAL A 85 -2.973 -3.694 -11.700 1.00 0.00 O ATOM 695 CB VAL A 85 -3.503 -5.079 -9.061 1.00 0.00 C ATOM 696 CG1 VAL A 85 -2.630 -6.240 -9.512 1.00 0.00 C ATOM 697 CG2 VAL A 85 -3.879 -5.222 -7.594 1.00 0.00 C ATOM 0 H VAL A 85 -4.673 -2.827 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.970 -3.636 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.420 -5.095 -9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.152 -7.180 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.416 -6.143 -10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.695 -6.231 -8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.384 -6.175 -7.439 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.978 -5.185 -6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.545 -4.408 -7.308 1.00 0.00 H new ATOM 707 N LEU A 86 -0.900 -3.752 -10.827 1.00 0.00 N ATOM 708 CA LEU A 86 -0.234 -3.745 -12.125 1.00 0.00 C ATOM 709 C LEU A 86 -0.293 -5.124 -12.774 1.00 0.00 C ATOM 710 O LEU A 86 0.422 -6.043 -12.372 1.00 0.00 O ATOM 711 CB LEU A 86 1.222 -3.302 -11.971 1.00 0.00 C ATOM 712 CG LEU A 86 1.443 -1.828 -11.633 1.00 0.00 C ATOM 713 CD1 LEU A 86 2.869 -1.597 -11.157 1.00 0.00 C ATOM 714 CD2 LEU A 86 1.133 -0.952 -12.838 1.00 0.00 C ATOM 0 H LEU A 86 -0.266 -3.778 -10.028 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.755 -3.038 -12.770 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.684 -3.906 -11.190 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.748 -3.524 -12.899 1.00 0.00 H new ATOM 0 HG LEU A 86 0.764 -1.555 -10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.007 -0.542 -10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.057 -2.196 -10.266 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.566 -1.888 -11.943 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.296 0.094 -12.579 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.787 -1.227 -13.666 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.094 -1.095 -13.134 1.00 0.00 H new ATOM 726 N LYS A 87 -1.147 -5.262 -13.783 1.00 0.00 N ATOM 727 CA LYS A 87 -1.297 -6.527 -14.492 1.00 0.00 C ATOM 728 C LYS A 87 -1.443 -6.296 -15.992 1.00 0.00 C ATOM 729 O LYS A 87 -1.941 -5.256 -16.424 1.00 0.00 O ATOM 730 CB LYS A 87 -2.512 -7.291 -13.961 1.00 0.00 C ATOM 731 CG LYS A 87 -3.839 -6.749 -14.465 1.00 0.00 C ATOM 732 CD LYS A 87 -4.294 -5.548 -13.652 1.00 0.00 C ATOM 733 CE LYS A 87 -4.880 -5.971 -12.314 1.00 0.00 C ATOM 734 NZ LYS A 87 -6.310 -6.371 -12.435 1.00 0.00 N ATOM 0 H LYS A 87 -1.746 -4.512 -14.128 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.399 -7.120 -14.320 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.425 -8.339 -14.247 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.505 -7.256 -12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.743 -6.465 -15.513 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.596 -7.532 -14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.450 -4.879 -13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.039 -4.987 -14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.303 -6.804 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.792 -5.149 -11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.672 -6.652 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.866 -5.569 -12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.392 -7.172 -13.094 1.00 0.00 H new ATOM 748 N ASP A 88 -1.009 -7.272 -16.781 1.00 0.00 N ATOM 749 CA ASP A 88 -1.094 -7.176 -18.234 1.00 0.00 C ATOM 750 C ASP A 88 -2.420 -7.736 -18.739 1.00 0.00 C ATOM 751 O ASP A 88 -3.207 -8.286 -17.968 1.00 0.00 O ATOM 752 CB ASP A 88 0.071 -7.924 -18.885 1.00 0.00 C ATOM 753 CG ASP A 88 0.480 -7.316 -20.212 1.00 0.00 C ATOM 754 OD1 ASP A 88 0.202 -6.117 -20.427 1.00 0.00 O ATOM 755 OD2 ASP A 88 1.079 -8.038 -21.036 1.00 0.00 O ATOM 0 H ASP A 88 -0.595 -8.139 -16.439 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.037 -6.122 -18.508 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.925 -7.920 -18.208 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.210 -8.966 -19.037 1.00 0.00 H new ATOM 760 N ARG A 89 -2.662 -7.591 -20.038 1.00 0.00 N ATOM 761 CA ARG A 89 -3.894 -8.080 -20.645 1.00 0.00 C ATOM 762 C ARG A 89 -3.591 -8.986 -21.834 1.00 0.00 C ATOM 763 O ARG A 89 -4.502 -9.481 -22.498 1.00 0.00 O ATOM 764 CB ARG A 89 -4.767 -6.906 -21.093 1.00 0.00 C ATOM 765 CG ARG A 89 -4.125 -6.046 -22.170 1.00 0.00 C ATOM 766 CD ARG A 89 -4.782 -4.677 -22.254 1.00 0.00 C ATOM 767 NE ARG A 89 -4.592 -3.903 -21.029 1.00 0.00 N ATOM 768 CZ ARG A 89 -4.704 -2.581 -20.971 1.00 0.00 C ATOM 769 NH1 ARG A 89 -5.003 -1.889 -22.062 1.00 0.00 N ATOM 770 NH2 ARG A 89 -4.517 -1.948 -19.820 1.00 0.00 N ATOM 0 H ARG A 89 -2.021 -7.139 -20.690 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.434 -8.660 -19.897 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.716 -7.291 -21.465 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.993 -6.282 -20.229 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.062 -5.929 -21.958 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.204 -6.549 -23.134 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.367 -4.127 -23.099 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.848 -4.798 -22.445 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.361 -4.405 -20.172 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.148 -2.372 -22.949 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.088 -0.874 -22.014 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.287 -2.477 -18.979 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.603 -0.933 -19.777 1.00 0.00 H new ATOM 784 N PHE A 90 -2.306 -9.199 -22.098 1.00 0.00 N ATOM 785 CA PHE A 90 -1.883 -10.045 -23.208 1.00 0.00 C ATOM 786 C PHE A 90 -1.223 -11.322 -22.697 1.00 0.00 C ATOM 787 O PHE A 90 -1.794 -12.409 -22.787 1.00 0.00 O ATOM 788 CB PHE A 90 -0.915 -9.284 -24.116 1.00 0.00 C ATOM 789 CG PHE A 90 -1.599 -8.347 -25.070 1.00 0.00 C ATOM 790 CD1 PHE A 90 -2.236 -7.208 -24.607 1.00 0.00 C ATOM 791 CD2 PHE A 90 -1.605 -8.606 -26.432 1.00 0.00 C ATOM 792 CE1 PHE A 90 -2.867 -6.345 -25.483 1.00 0.00 C ATOM 793 CE2 PHE A 90 -2.233 -7.747 -27.313 1.00 0.00 C ATOM 794 CZ PHE A 90 -2.865 -6.614 -26.837 1.00 0.00 C ATOM 0 H PHE A 90 -1.539 -8.797 -21.558 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.768 -10.320 -23.782 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.220 -8.716 -23.498 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.323 -10.001 -24.685 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.240 -6.991 -23.549 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.113 -9.490 -26.809 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.361 -5.461 -25.108 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.230 -7.960 -28.372 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.357 -5.940 -27.523 1.00 0.00 H new ATOM 804 N THR A 91 -0.014 -11.183 -22.162 1.00 0.00 N ATOM 805 CA THR A 91 0.727 -12.324 -21.639 1.00 0.00 C ATOM 806 C THR A 91 1.185 -12.072 -20.207 1.00 0.00 C ATOM 807 O THR A 91 1.305 -13.002 -19.411 1.00 0.00 O ATOM 808 CB THR A 91 1.956 -12.643 -22.511 1.00 0.00 C ATOM 809 OG1 THR A 91 2.634 -13.795 -21.997 1.00 0.00 O ATOM 810 CG2 THR A 91 2.913 -11.461 -22.551 1.00 0.00 C ATOM 0 H THR A 91 0.473 -10.291 -22.080 1.00 0.00 H new ATOM 0 HA THR A 91 0.048 -13.177 -21.656 1.00 0.00 H new ATOM 0 HB THR A 91 1.612 -12.846 -23.525 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.413 -13.993 -22.557 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.773 -11.710 -23.173 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.402 -10.593 -22.969 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.250 -11.232 -21.540 1.00 0.00 H new ATOM 818 N GLY A 92 1.440 -10.807 -19.885 1.00 0.00 N ATOM 819 CA GLY A 92 1.882 -10.456 -18.548 1.00 0.00 C ATOM 820 C GLY A 92 0.750 -10.473 -17.540 1.00 0.00 C ATOM 821 O GLY A 92 0.614 -9.553 -16.735 1.00 0.00 O ATOM 0 H GLY A 92 1.348 -10.019 -20.526 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.658 -11.153 -18.230 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.333 -9.464 -18.567 1.00 0.00 H new ATOM 825 N MET A 93 -0.065 -11.522 -17.586 1.00 0.00 N ATOM 826 CA MET A 93 -1.192 -11.654 -16.669 1.00 0.00 C ATOM 827 C MET A 93 -0.860 -11.049 -15.309 1.00 0.00 C ATOM 828 O MET A 93 -1.675 -10.342 -14.717 1.00 0.00 O ATOM 829 CB MET A 93 -1.574 -13.126 -16.507 1.00 0.00 C ATOM 830 CG MET A 93 -0.439 -13.996 -15.993 1.00 0.00 C ATOM 831 SD MET A 93 -0.896 -15.736 -15.873 1.00 0.00 S ATOM 832 CE MET A 93 -1.639 -15.779 -14.244 1.00 0.00 C ATOM 0 H MET A 93 0.034 -12.292 -18.247 1.00 0.00 H new ATOM 0 HA MET A 93 -2.038 -11.111 -17.091 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.417 -13.200 -15.820 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.911 -13.513 -17.469 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.420 -13.895 -16.656 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.128 -13.638 -15.012 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.973 -16.793 -14.023 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.904 -15.469 -13.501 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.492 -15.101 -14.215 1.00 0.00 H new ATOM 842 N HIS A 94 0.343 -11.333 -14.818 1.00 0.00 N ATOM 843 CA HIS A 94 0.783 -10.816 -13.527 1.00 0.00 C ATOM 844 C HIS A 94 2.284 -10.542 -13.534 1.00 0.00 C ATOM 845 O HIS A 94 3.095 -11.468 -13.502 1.00 0.00 O ATOM 846 CB HIS A 94 0.438 -11.806 -12.414 1.00 0.00 C ATOM 847 CG HIS A 94 0.261 -11.162 -11.073 1.00 0.00 C ATOM 848 ND1 HIS A 94 1.196 -11.256 -10.064 1.00 0.00 N ATOM 849 CD2 HIS A 94 -0.750 -10.410 -10.579 1.00 0.00 C ATOM 850 CE1 HIS A 94 0.766 -10.591 -9.006 1.00 0.00 C ATOM 851 NE2 HIS A 94 -0.412 -10.068 -9.293 1.00 0.00 N ATOM 0 H HIS A 94 1.030 -11.918 -15.294 1.00 0.00 H new ATOM 0 HA HIS A 94 0.262 -9.877 -13.342 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.479 -12.333 -12.679 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.228 -12.554 -12.347 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.654 -10.131 -11.099 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.289 -10.492 -8.066 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.979 -9.502 -8.662 1.00 0.00 H new ATOM 859 N LYS A 95 2.647 -9.265 -13.577 1.00 0.00 N ATOM 860 CA LYS A 95 4.050 -8.868 -13.588 1.00 0.00 C ATOM 861 C LYS A 95 4.710 -9.167 -12.246 1.00 0.00 C ATOM 862 O LYS A 95 5.784 -9.766 -12.192 1.00 0.00 O ATOM 863 CB LYS A 95 4.176 -7.377 -13.909 1.00 0.00 C ATOM 864 CG LYS A 95 3.695 -7.011 -15.303 1.00 0.00 C ATOM 865 CD LYS A 95 3.914 -5.538 -15.600 1.00 0.00 C ATOM 866 CE LYS A 95 2.850 -4.672 -14.943 1.00 0.00 C ATOM 867 NZ LYS A 95 3.013 -3.233 -15.291 1.00 0.00 N ATOM 0 H LYS A 95 1.989 -8.486 -13.605 1.00 0.00 H new ATOM 0 HA LYS A 95 4.559 -9.444 -14.360 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.606 -6.807 -13.176 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.219 -7.078 -13.804 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.224 -7.614 -16.041 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.635 -7.248 -15.397 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.900 -5.237 -15.245 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.901 -5.377 -16.678 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.862 -5.011 -15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.901 -4.792 -13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.100 -2.745 -15.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.711 -2.799 -14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.342 -3.149 -16.274 1.00 0.00 H new ATOM 881 N GLY A 96 4.061 -8.748 -11.165 1.00 0.00 N ATOM 882 CA GLY A 96 4.600 -8.982 -9.838 1.00 0.00 C ATOM 883 C GLY A 96 4.811 -7.697 -9.062 1.00 0.00 C ATOM 884 O GLY A 96 5.861 -7.498 -8.450 1.00 0.00 O ATOM 0 H GLY A 96 3.171 -8.250 -11.184 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.922 -9.630 -9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.549 -9.511 -9.923 1.00 0.00 H new ATOM 888 N CYS A 97 3.812 -6.821 -9.089 1.00 0.00 N ATOM 889 CA CYS A 97 3.893 -5.547 -8.384 1.00 0.00 C ATOM 890 C CYS A 97 2.564 -4.802 -8.453 1.00 0.00 C ATOM 891 O CYS A 97 1.636 -5.229 -9.139 1.00 0.00 O ATOM 892 CB CYS A 97 5.007 -4.683 -8.978 1.00 0.00 C ATOM 893 SG CYS A 97 4.919 -4.496 -10.774 1.00 0.00 S ATOM 0 H CYS A 97 2.937 -6.970 -9.591 1.00 0.00 H new ATOM 0 HA CYS A 97 4.120 -5.752 -7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.970 -3.695 -8.519 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.970 -5.121 -8.716 1.00 0.00 H new ATOM 0 HG CYS A 97 5.901 -3.748 -11.181 1.00 0.00 H new ATOM 899 N ALA A 98 2.479 -3.686 -7.736 1.00 0.00 N ATOM 900 CA ALA A 98 1.264 -2.882 -7.715 1.00 0.00 C ATOM 901 C ALA A 98 1.567 -1.439 -7.325 1.00 0.00 C ATOM 902 O ALA A 98 2.533 -1.168 -6.610 1.00 0.00 O ATOM 903 CB ALA A 98 0.247 -3.486 -6.759 1.00 0.00 C ATOM 0 H ALA A 98 3.238 -3.318 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 98 0.843 -2.879 -8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.655 -2.875 -6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.001 -4.497 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.668 -3.520 -5.754 1.00 0.00 H new ATOM 909 N PHE A 99 0.737 -0.516 -7.799 1.00 0.00 N ATOM 910 CA PHE A 99 0.918 0.900 -7.501 1.00 0.00 C ATOM 911 C PHE A 99 -0.082 1.366 -6.446 1.00 0.00 C ATOM 912 O PHE A 99 -1.290 1.176 -6.593 1.00 0.00 O ATOM 913 CB PHE A 99 0.760 1.735 -8.773 1.00 0.00 C ATOM 914 CG PHE A 99 2.023 1.844 -9.579 1.00 0.00 C ATOM 915 CD1 PHE A 99 3.202 2.270 -8.990 1.00 0.00 C ATOM 916 CD2 PHE A 99 2.030 1.521 -10.927 1.00 0.00 C ATOM 917 CE1 PHE A 99 4.366 2.370 -9.729 1.00 0.00 C ATOM 918 CE2 PHE A 99 3.190 1.619 -11.671 1.00 0.00 C ATOM 919 CZ PHE A 99 4.359 2.045 -11.072 1.00 0.00 C ATOM 0 H PHE A 99 -0.067 -0.723 -8.391 1.00 0.00 H new ATOM 0 HA PHE A 99 1.925 1.037 -7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.020 1.294 -9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.424 2.736 -8.502 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.212 2.527 -7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.118 1.189 -11.401 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.279 2.702 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.183 1.363 -12.720 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.266 2.124 -11.652 1.00 0.00 H new ATOM 929 N LEU A 100 0.430 1.976 -5.383 1.00 0.00 N ATOM 930 CA LEU A 100 -0.416 2.468 -4.302 1.00 0.00 C ATOM 931 C LEU A 100 -0.386 3.992 -4.238 1.00 0.00 C ATOM 932 O LEU A 100 0.614 4.620 -4.587 1.00 0.00 O ATOM 933 CB LEU A 100 0.037 1.882 -2.964 1.00 0.00 C ATOM 934 CG LEU A 100 -0.622 2.468 -1.716 1.00 0.00 C ATOM 935 CD1 LEU A 100 -2.087 2.064 -1.646 1.00 0.00 C ATOM 936 CD2 LEU A 100 0.116 2.022 -0.462 1.00 0.00 C ATOM 0 H LEU A 100 1.427 2.142 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.439 2.150 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.150 0.808 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.115 2.017 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.568 3.555 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.540 2.490 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.609 2.434 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.163 0.977 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.368 2.449 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.095 0.934 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.150 2.363 -0.508 1.00 0.00 H new ATOM 948 N THR A 101 -1.489 4.583 -3.788 1.00 0.00 N ATOM 949 CA THR A 101 -1.589 6.032 -3.677 1.00 0.00 C ATOM 950 C THR A 101 -2.003 6.449 -2.270 1.00 0.00 C ATOM 951 O THR A 101 -3.153 6.264 -1.871 1.00 0.00 O ATOM 952 CB THR A 101 -2.600 6.605 -4.688 1.00 0.00 C ATOM 953 OG1 THR A 101 -2.255 6.189 -6.014 1.00 0.00 O ATOM 954 CG2 THR A 101 -2.633 8.124 -4.619 1.00 0.00 C ATOM 0 H THR A 101 -2.326 4.079 -3.494 1.00 0.00 H new ATOM 0 HA THR A 101 -0.600 6.434 -3.896 1.00 0.00 H new ATOM 0 HB THR A 101 -3.590 6.225 -4.434 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.903 6.556 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.354 8.505 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.925 8.436 -3.616 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.644 8.520 -4.849 1.00 0.00 H new ATOM 962 N TYR A 102 -1.060 7.012 -1.523 1.00 0.00 N ATOM 963 CA TYR A 102 -1.327 7.453 -0.159 1.00 0.00 C ATOM 964 C TYR A 102 -1.744 8.920 -0.134 1.00 0.00 C ATOM 965 O TYR A 102 -1.022 9.791 -0.620 1.00 0.00 O ATOM 966 CB TYR A 102 -0.090 7.248 0.717 1.00 0.00 C ATOM 967 CG TYR A 102 -0.076 5.922 1.444 1.00 0.00 C ATOM 968 CD1 TYR A 102 -1.137 5.542 2.257 1.00 0.00 C ATOM 969 CD2 TYR A 102 0.997 5.049 1.316 1.00 0.00 C ATOM 970 CE1 TYR A 102 -1.128 4.332 2.923 1.00 0.00 C ATOM 971 CE2 TYR A 102 1.014 3.836 1.977 1.00 0.00 C ATOM 972 CZ TYR A 102 -0.050 3.482 2.780 1.00 0.00 C ATOM 973 OH TYR A 102 -0.038 2.275 3.441 1.00 0.00 O ATOM 0 H TYR A 102 -0.104 7.174 -1.839 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.147 6.853 0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.802 7.321 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.035 8.054 1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.983 6.204 2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.832 5.323 0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.960 4.052 3.552 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.856 3.169 1.866 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.727 2.277 4.138 1.00 0.00 H new ATOM 983 N CYS A 103 -2.913 9.186 0.438 1.00 0.00 N ATOM 984 CA CYS A 103 -3.429 10.547 0.528 1.00 0.00 C ATOM 985 C CYS A 103 -2.306 11.535 0.828 1.00 0.00 C ATOM 986 O CYS A 103 -1.949 12.357 -0.014 1.00 0.00 O ATOM 987 CB CYS A 103 -4.506 10.637 1.610 1.00 0.00 C ATOM 988 SG CYS A 103 -6.079 9.874 1.150 1.00 0.00 S ATOM 0 H CYS A 103 -3.522 8.477 0.847 1.00 0.00 H new ATOM 0 HA CYS A 103 -3.870 10.806 -0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.135 10.161 2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.679 11.686 1.849 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.052 8.610 1.451 1.00 0.00 H new ATOM 994 N GLU A 104 -1.755 11.448 2.035 1.00 0.00 N ATOM 995 CA GLU A 104 -0.675 12.336 2.447 1.00 0.00 C ATOM 996 C GLU A 104 0.679 11.787 2.005 1.00 0.00 C ATOM 997 O GLU A 104 1.136 10.759 2.505 1.00 0.00 O ATOM 998 CB GLU A 104 -0.690 12.525 3.965 1.00 0.00 C ATOM 999 CG GLU A 104 -1.904 13.286 4.471 1.00 0.00 C ATOM 1000 CD GLU A 104 -1.700 13.850 5.864 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -0.556 14.236 6.185 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -2.683 13.906 6.632 1.00 0.00 O ATOM 0 H GLU A 104 -2.039 10.772 2.744 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.831 13.302 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.659 11.547 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.213 13.057 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.130 14.100 3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.769 12.622 4.475 1.00 0.00 H new ATOM 1009 N ARG A 105 1.314 12.480 1.066 1.00 0.00 N ATOM 1010 CA ARG A 105 2.614 12.062 0.556 1.00 0.00 C ATOM 1011 C ARG A 105 3.539 11.649 1.697 1.00 0.00 C ATOM 1012 O ARG A 105 4.244 10.645 1.604 1.00 0.00 O ATOM 1013 CB ARG A 105 3.256 13.191 -0.252 1.00 0.00 C ATOM 1014 CG ARG A 105 3.563 14.431 0.571 1.00 0.00 C ATOM 1015 CD ARG A 105 4.984 14.404 1.113 1.00 0.00 C ATOM 1016 NE ARG A 105 5.232 15.492 2.054 1.00 0.00 N ATOM 1017 CZ ARG A 105 5.488 16.741 1.682 1.00 0.00 C ATOM 1018 NH1 ARG A 105 5.528 17.059 0.396 1.00 0.00 N ATOM 1019 NH2 ARG A 105 5.704 17.677 2.599 1.00 0.00 N ATOM 0 H ARG A 105 0.949 13.333 0.643 1.00 0.00 H new ATOM 0 HA ARG A 105 2.461 11.201 -0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.180 12.825 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.590 13.464 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.424 15.320 -0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.858 14.503 1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.165 13.449 1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.689 14.473 0.285 1.00 0.00 H new ATOM 0 HE ARG A 105 5.207 15.282 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.362 16.343 -0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.725 18.019 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.673 17.437 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.901 18.636 2.312 1.00 0.00 H new ATOM 1033 N GLU A 106 3.531 12.432 2.771 1.00 0.00 N ATOM 1034 CA GLU A 106 4.370 12.148 3.929 1.00 0.00 C ATOM 1035 C GLU A 106 4.045 10.776 4.514 1.00 0.00 C ATOM 1036 O GLU A 106 4.937 9.959 4.742 1.00 0.00 O ATOM 1037 CB GLU A 106 4.185 13.227 4.999 1.00 0.00 C ATOM 1038 CG GLU A 106 5.122 13.074 6.186 1.00 0.00 C ATOM 1039 CD GLU A 106 4.834 14.075 7.287 1.00 0.00 C ATOM 1040 OE1 GLU A 106 3.660 14.188 7.696 1.00 0.00 O ATOM 1041 OE2 GLU A 106 5.785 14.746 7.741 1.00 0.00 O ATOM 0 H GLU A 106 2.953 13.267 2.863 1.00 0.00 H new ATOM 0 HA GLU A 106 5.409 12.147 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.342 14.206 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.155 13.202 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.034 12.064 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.152 13.195 5.850 1.00 0.00 H new ATOM 1048 N SER A 107 2.761 10.531 4.754 1.00 0.00 N ATOM 1049 CA SER A 107 2.317 9.260 5.315 1.00 0.00 C ATOM 1050 C SER A 107 3.030 8.091 4.643 1.00 0.00 C ATOM 1051 O SER A 107 3.495 7.167 5.310 1.00 0.00 O ATOM 1052 CB SER A 107 0.803 9.109 5.156 1.00 0.00 C ATOM 1053 OG SER A 107 0.117 9.633 6.280 1.00 0.00 O ATOM 0 H SER A 107 2.010 11.196 4.569 1.00 0.00 H new ATOM 0 HA SER A 107 2.566 9.253 6.376 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.476 9.625 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.551 8.056 5.030 1.00 0.00 H new ATOM 0 HG SER A 107 -0.849 9.526 6.153 1.00 0.00 H new ATOM 1059 N ALA A 108 3.112 8.138 3.318 1.00 0.00 N ATOM 1060 CA ALA A 108 3.769 7.085 2.554 1.00 0.00 C ATOM 1061 C ALA A 108 5.174 6.818 3.084 1.00 0.00 C ATOM 1062 O ALA A 108 5.608 5.669 3.171 1.00 0.00 O ATOM 1063 CB ALA A 108 3.821 7.455 1.080 1.00 0.00 C ATOM 0 H ALA A 108 2.731 8.895 2.750 1.00 0.00 H new ATOM 0 HA ALA A 108 3.186 6.171 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.314 6.659 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.807 7.588 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.379 8.383 0.957 1.00 0.00 H new ATOM 1069 N LEU A 109 5.881 7.886 3.437 1.00 0.00 N ATOM 1070 CA LEU A 109 7.238 7.767 3.958 1.00 0.00 C ATOM 1071 C LEU A 109 7.281 6.825 5.156 1.00 0.00 C ATOM 1072 O LEU A 109 8.271 6.127 5.376 1.00 0.00 O ATOM 1073 CB LEU A 109 7.775 9.143 4.357 1.00 0.00 C ATOM 1074 CG LEU A 109 7.654 10.243 3.302 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.064 11.587 3.883 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.499 9.907 2.082 1.00 0.00 C ATOM 0 H LEU A 109 5.537 8.844 3.372 1.00 0.00 H new ATOM 0 HA LEU A 109 7.868 7.352 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.250 9.469 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.827 9.037 4.623 1.00 0.00 H new ATOM 0 HG LEU A 109 6.612 10.308 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.971 12.358 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.417 11.832 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.098 11.536 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.401 10.701 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.544 9.814 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.158 8.965 1.652 1.00 0.00 H new ATOM 1088 N LYS A 110 6.199 6.808 5.928 1.00 0.00 N ATOM 1089 CA LYS A 110 6.110 5.948 7.102 1.00 0.00 C ATOM 1090 C LYS A 110 6.096 4.477 6.701 1.00 0.00 C ATOM 1091 O LYS A 110 7.054 3.747 6.951 1.00 0.00 O ATOM 1092 CB LYS A 110 4.851 6.280 7.908 1.00 0.00 C ATOM 1093 CG LYS A 110 4.893 7.649 8.565 1.00 0.00 C ATOM 1094 CD LYS A 110 3.827 7.783 9.640 1.00 0.00 C ATOM 1095 CE LYS A 110 4.255 7.113 10.936 1.00 0.00 C ATOM 1096 NZ LYS A 110 5.423 7.798 11.556 1.00 0.00 N ATOM 0 H LYS A 110 5.371 7.380 5.761 1.00 0.00 H new ATOM 0 HA LYS A 110 6.989 6.128 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.984 6.229 7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.712 5.521 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.877 7.813 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.748 8.421 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.625 8.838 9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.896 7.337 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.420 7.112 11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.507 6.071 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.457 7.576 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.299 7.471 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.330 8.826 11.429 1.00 0.00 H new ATOM 1110 N ALA A 111 5.005 4.049 6.075 1.00 0.00 N ATOM 1111 CA ALA A 111 4.869 2.666 5.635 1.00 0.00 C ATOM 1112 C ALA A 111 6.085 2.225 4.828 1.00 0.00 C ATOM 1113 O ALA A 111 6.469 1.056 4.858 1.00 0.00 O ATOM 1114 CB ALA A 111 3.598 2.496 4.816 1.00 0.00 C ATOM 0 H ALA A 111 4.202 4.640 5.861 1.00 0.00 H new ATOM 0 HA ALA A 111 4.805 2.033 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.509 1.459 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.734 2.762 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.639 3.145 3.941 1.00 0.00 H new ATOM 1120 N GLN A 112 6.684 3.167 4.107 1.00 0.00 N ATOM 1121 CA GLN A 112 7.856 2.873 3.290 1.00 0.00 C ATOM 1122 C GLN A 112 8.876 2.055 4.076 1.00 0.00 C ATOM 1123 O GLN A 112 9.205 0.930 3.701 1.00 0.00 O ATOM 1124 CB GLN A 112 8.497 4.170 2.795 1.00 0.00 C ATOM 1125 CG GLN A 112 7.952 4.647 1.459 1.00 0.00 C ATOM 1126 CD GLN A 112 8.677 5.872 0.936 1.00 0.00 C ATOM 1127 OE1 GLN A 112 9.907 5.915 0.908 1.00 0.00 O ATOM 1128 NE2 GLN A 112 7.916 6.877 0.519 1.00 0.00 N ATOM 0 H GLN A 112 6.378 4.139 4.072 1.00 0.00 H new ATOM 0 HA GLN A 112 7.531 2.286 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 112 8.342 4.950 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 112 9.573 4.023 2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.034 3.842 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.891 4.875 1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.900 6.798 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.348 7.728 0.157 1.00 0.00 H new ATOM 1137 N SER A 113 9.373 2.629 5.167 1.00 0.00 N ATOM 1138 CA SER A 113 10.359 1.955 6.003 1.00 0.00 C ATOM 1139 C SER A 113 9.684 0.967 6.950 1.00 0.00 C ATOM 1140 O SER A 113 10.323 0.052 7.469 1.00 0.00 O ATOM 1141 CB SER A 113 11.164 2.979 6.806 1.00 0.00 C ATOM 1142 OG SER A 113 12.284 2.373 7.427 1.00 0.00 O ATOM 0 H SER A 113 9.109 3.559 5.492 1.00 0.00 H new ATOM 0 HA SER A 113 11.035 1.403 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.499 3.780 6.147 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.526 3.434 7.564 1.00 0.00 H new ATOM 0 HG SER A 113 12.783 3.048 7.933 1.00 0.00 H new ATOM 1148 N ALA A 114 8.388 1.160 7.170 1.00 0.00 N ATOM 1149 CA ALA A 114 7.624 0.286 8.053 1.00 0.00 C ATOM 1150 C ALA A 114 7.321 -1.047 7.377 1.00 0.00 C ATOM 1151 O ALA A 114 6.971 -2.025 8.038 1.00 0.00 O ATOM 1152 CB ALA A 114 6.334 0.967 8.483 1.00 0.00 C ATOM 0 H ALA A 114 7.845 1.914 6.749 1.00 0.00 H new ATOM 0 HA ALA A 114 8.228 0.086 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.774 0.303 9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.569 1.890 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.733 1.197 7.603 1.00 0.00 H new ATOM 1158 N LEU A 115 7.456 -1.079 6.055 1.00 0.00 N ATOM 1159 CA LEU A 115 7.195 -2.293 5.289 1.00 0.00 C ATOM 1160 C LEU A 115 8.477 -2.821 4.654 1.00 0.00 C ATOM 1161 O LEU A 115 8.793 -4.007 4.763 1.00 0.00 O ATOM 1162 CB LEU A 115 6.150 -2.020 4.205 1.00 0.00 C ATOM 1163 CG LEU A 115 4.695 -1.974 4.672 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.800 -1.414 3.577 1.00 0.00 C ATOM 1165 CD2 LEU A 115 4.225 -3.360 5.091 1.00 0.00 C ATOM 0 H LEU A 115 7.744 -0.279 5.492 1.00 0.00 H new ATOM 0 HA LEU A 115 6.811 -3.050 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.388 -1.068 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.241 -2.790 3.439 1.00 0.00 H new ATOM 0 HG LEU A 115 4.632 -1.314 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.768 -1.389 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.122 -0.404 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.867 -2.048 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.187 -3.308 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.303 -4.042 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.847 -3.724 5.909 1.00 0.00 H new ATOM 1177 N HIS A 116 9.213 -1.934 3.992 1.00 0.00 N ATOM 1178 CA HIS A 116 10.463 -2.311 3.341 1.00 0.00 C ATOM 1179 C HIS A 116 11.320 -3.169 4.267 1.00 0.00 C ATOM 1180 O HIS A 116 11.665 -2.751 5.372 1.00 0.00 O ATOM 1181 CB HIS A 116 11.239 -1.064 2.919 1.00 0.00 C ATOM 1182 CG HIS A 116 12.437 -1.362 2.071 1.00 0.00 C ATOM 1183 ND1 HIS A 116 12.348 -1.704 0.738 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.756 -1.366 2.372 1.00 0.00 C ATOM 1185 CE1 HIS A 116 13.561 -1.908 0.256 1.00 0.00 C ATOM 1186 NE2 HIS A 116 14.434 -1.708 1.227 1.00 0.00 N ATOM 0 H HIS A 116 8.966 -0.949 3.892 1.00 0.00 H new ATOM 0 HA HIS A 116 10.220 -2.896 2.454 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.572 -0.400 2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.560 -0.527 3.811 1.00 0.00 H new ATOM 0 HD2 HIS A 116 14.194 -1.142 3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.798 -2.190 -0.759 1.00 0.00 H new ATOM 0 HE2 HIS A 116 15.447 -1.794 1.141 1.00 0.00 H new ATOM 1194 N GLU A 117 11.659 -4.370 3.809 1.00 0.00 N ATOM 1195 CA GLU A 117 12.474 -5.286 4.597 1.00 0.00 C ATOM 1196 C GLU A 117 11.905 -5.447 6.004 1.00 0.00 C ATOM 1197 O GLU A 117 12.652 -5.550 6.978 1.00 0.00 O ATOM 1198 CB GLU A 117 13.917 -4.784 4.673 1.00 0.00 C ATOM 1199 CG GLU A 117 14.548 -4.539 3.313 1.00 0.00 C ATOM 1200 CD GLU A 117 14.925 -5.825 2.604 1.00 0.00 C ATOM 1201 OE1 GLU A 117 15.156 -6.838 3.297 1.00 0.00 O ATOM 1202 OE2 GLU A 117 14.988 -5.819 1.357 1.00 0.00 O ATOM 0 H GLU A 117 11.382 -4.731 2.896 1.00 0.00 H new ATOM 0 HA GLU A 117 12.461 -6.258 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.941 -3.858 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.518 -5.512 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 117 13.853 -3.976 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.438 -3.922 3.436 1.00 0.00 H new ATOM 1209 N GLN A 118 10.580 -5.466 6.102 1.00 0.00 N ATOM 1210 CA GLN A 118 9.911 -5.612 7.390 1.00 0.00 C ATOM 1211 C GLN A 118 8.794 -6.646 7.308 1.00 0.00 C ATOM 1212 O GLN A 118 8.594 -7.434 8.233 1.00 0.00 O ATOM 1213 CB GLN A 118 9.345 -4.267 7.850 1.00 0.00 C ATOM 1214 CG GLN A 118 10.318 -3.452 8.687 1.00 0.00 C ATOM 1215 CD GLN A 118 9.616 -2.526 9.660 1.00 0.00 C ATOM 1216 OE1 GLN A 118 8.712 -2.939 10.386 1.00 0.00 O ATOM 1217 NE2 GLN A 118 10.030 -1.264 9.680 1.00 0.00 N ATOM 0 H GLN A 118 9.948 -5.382 5.306 1.00 0.00 H new ATOM 0 HA GLN A 118 10.647 -5.956 8.117 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.056 -3.685 6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.439 -4.443 8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.970 -4.128 9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.955 -2.864 8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 118 10.783 -0.964 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 118 9.595 -0.595 10.315 1.00 0.00 H new ATOM 1226 N LYS A 119 8.068 -6.639 6.196 1.00 0.00 N ATOM 1227 CA LYS A 119 6.970 -7.577 5.992 1.00 0.00 C ATOM 1228 C LYS A 119 7.317 -8.594 4.910 1.00 0.00 C ATOM 1229 O LYS A 119 7.692 -8.228 3.795 1.00 0.00 O ATOM 1230 CB LYS A 119 5.694 -6.825 5.609 1.00 0.00 C ATOM 1231 CG LYS A 119 4.564 -7.734 5.158 1.00 0.00 C ATOM 1232 CD LYS A 119 3.688 -8.157 6.325 1.00 0.00 C ATOM 1233 CE LYS A 119 2.334 -8.664 5.852 1.00 0.00 C ATOM 1234 NZ LYS A 119 2.448 -9.971 5.147 1.00 0.00 N ATOM 0 H LYS A 119 8.220 -5.994 5.421 1.00 0.00 H new ATOM 0 HA LYS A 119 6.803 -8.111 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.358 -6.238 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.924 -6.121 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.956 -7.219 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.979 -8.618 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.191 -8.938 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.546 -7.312 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.666 -8.769 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 119 1.884 -7.929 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.519 -10.242 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.131 -9.886 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.774 -10.698 5.815 1.00 0.00 H new ATOM 1248 N THR A 120 7.189 -9.875 5.244 1.00 0.00 N ATOM 1249 CA THR A 120 7.489 -10.944 4.301 1.00 0.00 C ATOM 1250 C THR A 120 6.262 -11.811 4.043 1.00 0.00 C ATOM 1251 O THR A 120 5.697 -12.396 4.968 1.00 0.00 O ATOM 1252 CB THR A 120 8.636 -11.838 4.811 1.00 0.00 C ATOM 1253 OG1 THR A 120 9.717 -11.026 5.282 1.00 0.00 O ATOM 1254 CG2 THR A 120 9.132 -12.763 3.710 1.00 0.00 C ATOM 0 H THR A 120 6.879 -10.196 6.161 1.00 0.00 H new ATOM 0 HA THR A 120 7.796 -10.467 3.370 1.00 0.00 H new ATOM 0 HB THR A 120 8.255 -12.447 5.631 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.441 -11.601 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.941 -13.384 4.094 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.314 -13.400 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.497 -12.169 2.872 1.00 0.00 H new ATOM 1262 N LEU A 121 5.853 -11.889 2.782 1.00 0.00 N ATOM 1263 CA LEU A 121 4.691 -12.685 2.402 1.00 0.00 C ATOM 1264 C LEU A 121 5.013 -14.175 2.449 1.00 0.00 C ATOM 1265 O LEU A 121 6.154 -14.595 2.252 1.00 0.00 O ATOM 1266 CB LEU A 121 4.219 -12.298 0.999 1.00 0.00 C ATOM 1267 CG LEU A 121 3.819 -10.835 0.805 1.00 0.00 C ATOM 1268 CD1 LEU A 121 3.809 -10.476 -0.672 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.458 -10.568 1.431 1.00 0.00 C ATOM 0 H LEU A 121 6.309 -11.411 2.005 1.00 0.00 H new ATOM 0 HA LEU A 121 3.893 -12.481 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.015 -12.533 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.366 -12.925 0.739 1.00 0.00 H new ATOM 0 HG LEU A 121 4.556 -10.206 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.522 -9.431 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.804 -10.629 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.094 -11.110 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.189 -9.522 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.710 -11.205 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.500 -10.785 2.498 1.00 0.00 H new ATOM 1281 N PRO A 122 3.985 -14.995 2.715 1.00 0.00 N ATOM 1282 CA PRO A 122 4.134 -16.451 2.792 1.00 0.00 C ATOM 1283 C PRO A 122 4.409 -17.079 1.429 1.00 0.00 C ATOM 1284 O PRO A 122 3.563 -17.044 0.537 1.00 0.00 O ATOM 1285 CB PRO A 122 2.779 -16.918 3.331 1.00 0.00 C ATOM 1286 CG PRO A 122 1.822 -15.850 2.927 1.00 0.00 C ATOM 1287 CD PRO A 122 2.599 -14.563 2.961 1.00 0.00 C ATOM 0 HA PRO A 122 4.980 -16.741 3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.497 -17.883 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 122 2.804 -17.038 4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.424 -16.039 1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.971 -15.810 3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.254 -13.865 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.500 -14.059 3.922 1.00 0.00 H new ATOM 1295 N GLY A 123 5.599 -17.652 1.276 1.00 0.00 N ATOM 1296 CA GLY A 123 5.964 -18.279 0.020 1.00 0.00 C ATOM 1297 C GLY A 123 7.132 -17.588 -0.655 1.00 0.00 C ATOM 1298 O GLY A 123 7.742 -18.138 -1.572 1.00 0.00 O ATOM 0 H GLY A 123 6.317 -17.693 2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 123 6.218 -19.324 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 123 5.104 -18.271 -0.650 1.00 0.00 H new ATOM 1302 N MET A 124 7.445 -16.379 -0.202 1.00 0.00 N ATOM 1303 CA MET A 124 8.548 -15.612 -0.769 1.00 0.00 C ATOM 1304 C MET A 124 9.696 -15.492 0.228 1.00 0.00 C ATOM 1305 O MET A 124 9.575 -14.816 1.249 1.00 0.00 O ATOM 1306 CB MET A 124 8.069 -14.219 -1.183 1.00 0.00 C ATOM 1307 CG MET A 124 6.899 -14.242 -2.152 1.00 0.00 C ATOM 1308 SD MET A 124 7.422 -14.421 -3.869 1.00 0.00 S ATOM 1309 CE MET A 124 7.790 -12.719 -4.290 1.00 0.00 C ATOM 0 H MET A 124 6.950 -15.909 0.556 1.00 0.00 H new ATOM 0 HA MET A 124 8.910 -16.141 -1.651 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.780 -13.663 -0.291 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.898 -13.680 -1.640 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.233 -15.064 -1.892 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.326 -13.321 -2.045 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.602 -12.691 -5.017 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.904 -12.250 -4.718 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.088 -12.178 -3.392 1.00 0.00 H new ATOM 1319 N ASN A 125 10.809 -16.153 -0.075 1.00 0.00 N ATOM 1320 CA ASN A 125 11.978 -16.121 0.796 1.00 0.00 C ATOM 1321 C ASN A 125 12.462 -14.689 1.004 1.00 0.00 C ATOM 1322 O ASN A 125 13.080 -14.373 2.021 1.00 0.00 O ATOM 1323 CB ASN A 125 13.104 -16.971 0.204 1.00 0.00 C ATOM 1324 CG ASN A 125 12.676 -18.404 -0.046 1.00 0.00 C ATOM 1325 OD1 ASN A 125 11.891 -18.680 -0.953 1.00 0.00 O ATOM 1326 ND2 ASN A 125 13.193 -19.325 0.759 1.00 0.00 N ATOM 0 H ASN A 125 10.926 -16.717 -0.917 1.00 0.00 H new ATOM 0 HA ASN A 125 11.691 -16.533 1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 125 13.438 -16.526 -0.733 1.00 0.00 H new ATOM 0 HB3 ASN A 125 13.957 -16.963 0.882 1.00 0.00 H new ATOM 0 HD21 ASN A 125 12.943 -20.306 0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 125 13.840 -19.051 1.498 1.00 0.00 H new ATOM 1333 N ARG A 126 12.176 -13.827 0.034 1.00 0.00 N ATOM 1334 CA ARG A 126 12.583 -12.429 0.110 1.00 0.00 C ATOM 1335 C ARG A 126 11.445 -11.560 0.638 1.00 0.00 C ATOM 1336 O ARG A 126 10.279 -11.741 0.286 1.00 0.00 O ATOM 1337 CB ARG A 126 13.026 -11.928 -1.266 1.00 0.00 C ATOM 1338 CG ARG A 126 13.966 -10.735 -1.206 1.00 0.00 C ATOM 1339 CD ARG A 126 14.489 -10.370 -2.586 1.00 0.00 C ATOM 1340 NE ARG A 126 15.496 -9.314 -2.528 1.00 0.00 N ATOM 1341 CZ ARG A 126 16.765 -9.526 -2.197 1.00 0.00 C ATOM 1342 NH1 ARG A 126 17.180 -10.749 -1.898 1.00 0.00 N ATOM 1343 NH2 ARG A 126 17.622 -8.513 -2.166 1.00 0.00 N ATOM 0 H ARG A 126 11.664 -14.072 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 126 13.423 -12.358 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.519 -12.742 -1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.144 -11.656 -1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.444 -9.880 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.803 -10.963 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.918 -11.255 -3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.659 -10.046 -3.214 1.00 0.00 H new ATOM 0 HE ARG A 126 15.209 -8.362 -2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.524 -11.530 -1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.155 -10.909 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.306 -7.571 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.596 -8.677 -1.912 1.00 0.00 H new ATOM 1357 N PRO A 127 11.789 -10.593 1.501 1.00 0.00 N ATOM 1358 CA PRO A 127 10.811 -9.677 2.095 1.00 0.00 C ATOM 1359 C PRO A 127 10.240 -8.697 1.076 1.00 0.00 C ATOM 1360 O PRO A 127 10.868 -8.414 0.055 1.00 0.00 O ATOM 1361 CB PRO A 127 11.623 -8.931 3.157 1.00 0.00 C ATOM 1362 CG PRO A 127 13.031 -9.001 2.676 1.00 0.00 C ATOM 1363 CD PRO A 127 13.160 -10.320 1.964 1.00 0.00 C ATOM 0 HA PRO A 127 9.946 -10.207 2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.290 -7.898 3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.516 -9.397 4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.256 -8.172 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.732 -8.937 3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.861 -10.260 1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.522 -11.103 2.630 1.00 0.00 H new ATOM 1371 N ILE A 128 9.048 -8.184 1.359 1.00 0.00 N ATOM 1372 CA ILE A 128 8.395 -7.234 0.466 1.00 0.00 C ATOM 1373 C ILE A 128 9.172 -5.924 0.393 1.00 0.00 C ATOM 1374 O ILE A 128 9.742 -5.474 1.385 1.00 0.00 O ATOM 1375 CB ILE A 128 6.952 -6.938 0.918 1.00 0.00 C ATOM 1376 CG1 ILE A 128 6.232 -6.085 -0.128 1.00 0.00 C ATOM 1377 CG2 ILE A 128 6.953 -6.240 2.269 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.725 -6.140 -0.020 1.00 0.00 C ATOM 0 H ILE A 128 8.515 -8.410 2.199 1.00 0.00 H new ATOM 0 HA ILE A 128 8.371 -7.694 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 128 6.418 -7.883 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.558 -5.050 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.529 -6.417 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 128 5.927 -6.038 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.432 -6.881 3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.501 -5.301 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.282 -5.512 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.388 -7.168 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.417 -5.780 0.962 1.00 0.00 H new ATOM 1390 N GLN A 129 9.187 -5.317 -0.790 1.00 0.00 N ATOM 1391 CA GLN A 129 9.893 -4.058 -0.992 1.00 0.00 C ATOM 1392 C GLN A 129 8.912 -2.922 -1.267 1.00 0.00 C ATOM 1393 O GLN A 129 7.951 -3.087 -2.019 1.00 0.00 O ATOM 1394 CB GLN A 129 10.883 -4.184 -2.151 1.00 0.00 C ATOM 1395 CG GLN A 129 12.267 -4.646 -1.721 1.00 0.00 C ATOM 1396 CD GLN A 129 13.171 -4.953 -2.898 1.00 0.00 C ATOM 1397 OE1 GLN A 129 12.750 -4.887 -4.053 1.00 0.00 O ATOM 1398 NE2 GLN A 129 14.423 -5.290 -2.611 1.00 0.00 N ATOM 0 H GLN A 129 8.719 -5.677 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 129 10.441 -3.828 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.485 -4.887 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 129 10.970 -3.219 -2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.728 -3.874 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.172 -5.536 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.730 -5.332 -1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.078 -5.507 -3.362 1.00 0.00 H new ATOM 1407 N VAL A 130 9.162 -1.770 -0.654 1.00 0.00 N ATOM 1408 CA VAL A 130 8.301 -0.606 -0.833 1.00 0.00 C ATOM 1409 C VAL A 130 9.125 0.656 -1.065 1.00 0.00 C ATOM 1410 O VAL A 130 9.890 1.079 -0.198 1.00 0.00 O ATOM 1411 CB VAL A 130 7.386 -0.392 0.387 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.372 0.707 0.107 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.687 -1.690 0.762 1.00 0.00 C ATOM 0 H VAL A 130 9.953 -1.617 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 130 7.684 -0.800 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 130 8.001 -0.080 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.734 0.844 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.895 1.638 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.759 0.427 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 130 6.044 -1.521 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.083 -2.034 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.432 -2.447 1.007 1.00 0.00 H new ATOM 1423 N LYS A 131 8.963 1.254 -2.240 1.00 0.00 N ATOM 1424 CA LYS A 131 9.689 2.469 -2.587 1.00 0.00 C ATOM 1425 C LYS A 131 8.823 3.399 -3.430 1.00 0.00 C ATOM 1426 O LYS A 131 8.068 2.964 -4.301 1.00 0.00 O ATOM 1427 CB LYS A 131 10.972 2.122 -3.346 1.00 0.00 C ATOM 1428 CG LYS A 131 10.747 1.198 -4.531 1.00 0.00 C ATOM 1429 CD LYS A 131 12.018 0.459 -4.911 1.00 0.00 C ATOM 1430 CE LYS A 131 13.006 1.376 -5.617 1.00 0.00 C ATOM 1431 NZ LYS A 131 12.807 1.374 -7.093 1.00 0.00 N ATOM 0 H LYS A 131 8.334 0.916 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 131 9.949 2.983 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.437 3.043 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.675 1.652 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.965 0.478 -4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.393 1.778 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.481 0.044 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 131 11.771 -0.381 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.895 2.391 -5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 131 14.023 1.059 -5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.499 2.011 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 12.938 0.410 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.845 1.700 -7.314 1.00 0.00 H new ATOM 1445 N PRO A 132 8.932 4.710 -3.169 1.00 0.00 N ATOM 1446 CA PRO A 132 8.167 5.728 -3.895 1.00 0.00 C ATOM 1447 C PRO A 132 8.628 5.878 -5.341 1.00 0.00 C ATOM 1448 O PRO A 132 9.788 6.192 -5.603 1.00 0.00 O ATOM 1449 CB PRO A 132 8.448 7.011 -3.108 1.00 0.00 C ATOM 1450 CG PRO A 132 9.763 6.771 -2.450 1.00 0.00 C ATOM 1451 CD PRO A 132 9.811 5.299 -2.145 1.00 0.00 C ATOM 0 HA PRO A 132 7.109 5.474 -3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.487 7.879 -3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.667 7.204 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.585 7.061 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 132 9.857 7.362 -1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.826 4.907 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.454 5.085 -1.138 1.00 0.00 H new ATOM 1459 N ALA A 133 7.710 5.652 -6.276 1.00 0.00 N ATOM 1460 CA ALA A 133 8.022 5.764 -7.695 1.00 0.00 C ATOM 1461 C ALA A 133 8.487 7.174 -8.045 1.00 0.00 C ATOM 1462 O ALA A 133 9.583 7.363 -8.574 1.00 0.00 O ATOM 1463 CB ALA A 133 6.812 5.383 -8.533 1.00 0.00 C ATOM 0 H ALA A 133 6.745 5.390 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 133 8.836 5.075 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 133 7.060 5.471 -9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.526 4.355 -8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 133 5.982 6.049 -8.298 1.00 0.00 H new