USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 86 SER OG : rot 180:sc= -1.05 USER MOD Set 1.2: A 88 THR OG1 : rot 76:sc= 0.817 USER MOD Set 1.3: A 137 GLN : amide:sc= -1.75! C(o=-2!,f=-4.5!) USER MOD Single : A 78 THR OG1 : rot -12:sc= 0.478 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= -0.0623 (180deg=-0.0623) USER MOD Single : A 81 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-6.5!) USER MOD Single : A 84 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.086) USER MOD Single : A 89 CYS SG : rot 111:sc= 1.83 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0677 USER MOD Single : A 91 ASN : amide:sc= -0.969 K(o=-0.97,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 97 LYS NZ :NH3+ 143:sc= -0.511 (180deg=-0.891) USER MOD Single : A 101 TYR OH : rot -15:sc= 0 USER MOD Single : A 107 CYS SG : rot 160:sc= -1.93 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 117 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 118 MET CE :methyl -150:sc= -2.65 (180deg=-3.75!) USER MOD Single : A 133 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.43) USER MOD Single : A 134 THR OG1 : rot -83:sc= 0.936 USER MOD Single : A 139 LYS NZ :NH3+ -114:sc= -0.108 (180deg=-1.34!) USER MOD Single : A 141 MET CE :methyl 168:sc= -0.301 (180deg=-0.581) USER MOD Single : A 142 HIS : no HD1:sc= -0.969 K(o=-0.97,f=-0.28) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.777 13.299 8.938 1.00 0.00 N ATOM 110 CA THR A 78 -2.930 12.724 8.255 1.00 0.00 C ATOM 111 C THR A 78 -3.135 11.267 8.653 1.00 0.00 C ATOM 112 O THR A 78 -2.181 10.564 8.989 1.00 0.00 O ATOM 113 CB THR A 78 -2.776 12.810 6.725 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.391 12.752 6.367 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.390 14.095 6.190 1.00 0.00 C ATOM 0 HA THR A 78 -3.800 13.306 8.559 1.00 0.00 H new ATOM 0 HB THR A 78 -3.301 11.964 6.282 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.841 12.867 7.170 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.269 14.133 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.451 14.122 6.438 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.890 14.952 6.641 1.00 0.00 H new ATOM 123 N LYS A 79 -4.384 10.818 8.613 1.00 0.00 N ATOM 124 CA LYS A 79 -4.716 9.443 8.967 1.00 0.00 C ATOM 125 C LYS A 79 -5.374 8.723 7.795 1.00 0.00 C ATOM 126 O LYS A 79 -6.141 9.319 7.038 1.00 0.00 O ATOM 127 CB LYS A 79 -5.645 9.418 10.183 1.00 0.00 C ATOM 128 CG LYS A 79 -5.540 8.144 11.003 1.00 0.00 C ATOM 129 CD LYS A 79 -4.311 8.155 11.895 1.00 0.00 C ATOM 130 CE LYS A 79 -3.802 6.746 12.161 1.00 0.00 C ATOM 131 NZ LYS A 79 -4.425 6.152 13.377 1.00 0.00 N ATOM 0 H LYS A 79 -5.185 11.387 8.339 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.790 8.924 9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.416 10.271 10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.674 9.539 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.434 8.030 11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.499 7.283 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.524 8.744 11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.551 8.641 12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.014 6.114 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.719 6.768 12.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.053 5.192 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.201 6.741 14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.457 6.108 13.252 1.00 0.00 H new ATOM 145 N LEU A 80 -5.071 7.437 7.652 1.00 0.00 N ATOM 146 CA LEU A 80 -5.635 6.634 6.572 1.00 0.00 C ATOM 147 C LEU A 80 -6.194 5.319 7.106 1.00 0.00 C ATOM 148 O LEU A 80 -5.455 4.490 7.639 1.00 0.00 O ATOM 149 CB LEU A 80 -4.572 6.356 5.508 1.00 0.00 C ATOM 150 CG LEU A 80 -3.721 7.552 5.080 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.700 7.133 4.034 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.604 8.672 4.549 1.00 0.00 C ATOM 0 H LEU A 80 -4.438 6.928 8.270 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.452 7.198 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.907 5.578 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.068 5.954 4.625 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.184 7.923 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.103 7.997 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.047 6.365 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.216 6.736 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.981 9.515 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.168 8.313 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.295 8.991 5.329 1.00 0.00 H new ATOM 164 N HIS A 81 -7.502 5.134 6.958 1.00 0.00 N ATOM 165 CA HIS A 81 -8.159 3.917 7.423 1.00 0.00 C ATOM 166 C HIS A 81 -8.149 2.845 6.337 1.00 0.00 C ATOM 167 O HIS A 81 -8.329 3.142 5.156 1.00 0.00 O ATOM 168 CB HIS A 81 -9.597 4.219 7.844 1.00 0.00 C ATOM 169 CG HIS A 81 -10.357 3.008 8.292 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.473 1.867 7.527 1.00 0.00 N ATOM 171 CD2 HIS A 81 -11.039 2.764 9.435 1.00 0.00 C ATOM 172 CE1 HIS A 81 -11.196 0.974 8.179 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.551 1.493 9.340 1.00 0.00 N ATOM 0 H HIS A 81 -8.128 5.810 6.520 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.607 3.541 8.284 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.584 4.950 8.653 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.123 4.679 7.007 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -11.158 3.442 10.267 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.453 -0.013 7.823 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -12.114 1.026 10.051 1.00 0.00 H new ATOM 182 N VAL A 82 -7.935 1.599 6.745 1.00 0.00 N ATOM 183 CA VAL A 82 -7.902 0.482 5.808 1.00 0.00 C ATOM 184 C VAL A 82 -8.805 -0.654 6.274 1.00 0.00 C ATOM 185 O VAL A 82 -8.904 -0.933 7.468 1.00 0.00 O ATOM 186 CB VAL A 82 -6.470 -0.056 5.627 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.356 -0.846 4.333 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.465 1.085 5.656 1.00 0.00 C ATOM 0 H VAL A 82 -7.782 1.337 7.719 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.264 0.860 4.852 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.245 -0.728 6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.337 -1.218 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.049 -1.687 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.600 -0.200 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.459 0.687 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.685 1.784 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.530 1.603 6.613 1.00 0.00 H new ATOM 198 N GLY A 83 -9.464 -1.308 5.322 1.00 0.00 N ATOM 199 CA GLY A 83 -10.351 -2.407 5.654 1.00 0.00 C ATOM 200 C GLY A 83 -10.028 -3.668 4.877 1.00 0.00 C ATOM 201 O GLY A 83 -9.344 -3.618 3.856 1.00 0.00 O ATOM 0 H GLY A 83 -9.399 -1.096 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.283 -2.615 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.381 -2.113 5.451 1.00 0.00 H new ATOM 205 N ASN A 84 -10.520 -4.803 5.362 1.00 0.00 N ATOM 206 CA ASN A 84 -10.278 -6.083 4.707 1.00 0.00 C ATOM 207 C ASN A 84 -8.787 -6.405 4.676 1.00 0.00 C ATOM 208 O ASN A 84 -8.219 -6.656 3.613 1.00 0.00 O ATOM 209 CB ASN A 84 -10.838 -6.065 3.283 1.00 0.00 C ATOM 210 CG ASN A 84 -11.294 -7.436 2.824 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.321 -7.944 3.274 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.530 -8.043 1.922 1.00 0.00 N ATOM 0 H ASN A 84 -11.089 -4.862 6.207 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.787 -6.858 5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.677 -5.371 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.075 -5.691 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.787 -8.967 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.687 -7.585 1.576 1.00 0.00 H new ATOM 219 N ILE A 85 -8.161 -6.395 5.847 1.00 0.00 N ATOM 220 CA ILE A 85 -6.737 -6.688 5.954 1.00 0.00 C ATOM 221 C ILE A 85 -6.492 -8.187 6.085 1.00 0.00 C ATOM 222 O ILE A 85 -7.369 -8.934 6.518 1.00 0.00 O ATOM 223 CB ILE A 85 -6.103 -5.968 7.159 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.690 -4.563 7.308 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.591 -5.902 7.001 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.305 -3.625 6.185 1.00 0.00 C ATOM 0 H ILE A 85 -8.617 -6.187 6.735 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.271 -6.325 5.038 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.330 -6.534 8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.777 -4.635 7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.358 -4.138 8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.157 -5.390 7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.187 -6.913 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.344 -5.356 6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.756 -2.648 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.220 -3.523 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.661 -4.028 5.237 1.00 0.00 H new ATOM 238 N SER A 86 -5.292 -8.620 5.710 1.00 0.00 N ATOM 239 CA SER A 86 -4.932 -10.031 5.784 1.00 0.00 C ATOM 240 C SER A 86 -4.468 -10.400 7.190 1.00 0.00 C ATOM 241 O SER A 86 -3.813 -9.620 7.880 1.00 0.00 O ATOM 242 CB SER A 86 -3.831 -10.352 4.771 1.00 0.00 C ATOM 243 OG SER A 86 -3.873 -11.715 4.387 1.00 0.00 O ATOM 0 H SER A 86 -4.553 -8.014 5.352 1.00 0.00 H new ATOM 0 HA SER A 86 -5.818 -10.620 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.947 -9.719 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.857 -10.122 5.203 1.00 0.00 H new ATOM 0 HG SER A 86 -3.161 -11.894 3.738 1.00 0.00 H new ATOM 249 N PRO A 87 -4.817 -11.620 7.626 1.00 0.00 N ATOM 250 CA PRO A 87 -4.447 -12.122 8.952 1.00 0.00 C ATOM 251 C PRO A 87 -2.953 -12.400 9.072 1.00 0.00 C ATOM 252 O PRO A 87 -2.458 -12.742 10.146 1.00 0.00 O ATOM 253 CB PRO A 87 -5.244 -13.424 9.073 1.00 0.00 C ATOM 254 CG PRO A 87 -5.469 -13.863 7.668 1.00 0.00 C ATOM 255 CD PRO A 87 -5.598 -12.603 6.856 1.00 0.00 C ATOM 0 HA PRO A 87 -4.665 -11.397 9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.692 -14.175 9.639 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.188 -13.263 9.593 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.639 -14.473 7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.369 -14.472 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.201 -12.731 5.849 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.639 -12.297 6.752 1.00 0.00 H new ATOM 263 N THR A 88 -2.237 -12.249 7.962 1.00 0.00 N ATOM 264 CA THR A 88 -0.799 -12.484 7.942 1.00 0.00 C ATOM 265 C THR A 88 -0.037 -11.205 7.613 1.00 0.00 C ATOM 266 O THR A 88 1.182 -11.224 7.439 1.00 0.00 O ATOM 267 CB THR A 88 -0.421 -13.570 6.917 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.663 -13.096 5.588 1.00 0.00 O ATOM 269 CG2 THR A 88 -1.217 -14.843 7.160 1.00 0.00 C ATOM 0 H THR A 88 -2.630 -11.965 7.065 1.00 0.00 H new ATOM 0 HA THR A 88 -0.521 -12.823 8.940 1.00 0.00 H new ATOM 0 HB THR A 88 0.639 -13.795 7.034 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.047 -12.473 5.329 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.933 -15.596 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.007 -15.218 8.162 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.282 -14.629 7.068 1.00 0.00 H new ATOM 277 N CYS A 89 -0.763 -10.095 7.530 1.00 0.00 N ATOM 278 CA CYS A 89 -0.155 -8.805 7.222 1.00 0.00 C ATOM 279 C CYS A 89 0.776 -8.361 8.346 1.00 0.00 C ATOM 280 O CYS A 89 0.518 -8.622 9.521 1.00 0.00 O ATOM 281 CB CYS A 89 -1.237 -7.750 6.992 1.00 0.00 C ATOM 282 SG CYS A 89 -0.594 -6.112 6.575 1.00 0.00 S ATOM 0 H CYS A 89 -1.773 -10.062 7.672 1.00 0.00 H new ATOM 0 HA CYS A 89 0.433 -8.916 6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.893 -8.086 6.189 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.849 -7.670 7.891 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.885 -5.833 5.339 1.00 0.00 H new ATOM 288 N THR A 90 1.862 -7.688 7.977 1.00 0.00 N ATOM 289 CA THR A 90 2.832 -7.209 8.953 1.00 0.00 C ATOM 290 C THR A 90 3.015 -5.699 8.851 1.00 0.00 C ATOM 291 O THR A 90 3.048 -5.141 7.755 1.00 0.00 O ATOM 292 CB THR A 90 4.200 -7.894 8.767 1.00 0.00 C ATOM 293 OG1 THR A 90 4.661 -7.711 7.424 1.00 0.00 O ATOM 294 CG2 THR A 90 4.107 -9.380 9.079 1.00 0.00 C ATOM 0 H THR A 90 2.091 -7.463 7.009 1.00 0.00 H new ATOM 0 HA THR A 90 2.439 -7.459 9.939 1.00 0.00 H new ATOM 0 HB THR A 90 4.908 -7.437 9.459 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.531 -8.148 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.084 -9.843 8.941 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.784 -9.516 10.111 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.386 -9.848 8.409 1.00 0.00 H new ATOM 302 N ASN A 91 3.135 -5.044 10.001 1.00 0.00 N ATOM 303 CA ASN A 91 3.316 -3.597 10.041 1.00 0.00 C ATOM 304 C ASN A 91 4.360 -3.150 9.022 1.00 0.00 C ATOM 305 O ASN A 91 4.254 -2.069 8.444 1.00 0.00 O ATOM 306 CB ASN A 91 3.733 -3.152 11.444 1.00 0.00 C ATOM 307 CG ASN A 91 2.546 -2.774 12.308 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.087 -3.565 13.133 1.00 0.00 O ATOM 309 ND2 ASN A 91 2.042 -1.560 12.122 1.00 0.00 N ATOM 0 H ASN A 91 3.110 -5.492 10.917 1.00 0.00 H new ATOM 0 HA ASN A 91 2.364 -3.131 9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.289 -3.956 11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.408 -2.300 11.366 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.242 -1.250 12.674 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.454 -0.938 11.427 1.00 0.00 H new ATOM 316 N GLN A 92 5.367 -3.991 8.808 1.00 0.00 N ATOM 317 CA GLN A 92 6.430 -3.683 7.859 1.00 0.00 C ATOM 318 C GLN A 92 5.913 -3.739 6.425 1.00 0.00 C ATOM 319 O GLN A 92 6.346 -2.968 5.569 1.00 0.00 O ATOM 320 CB GLN A 92 7.596 -4.658 8.032 1.00 0.00 C ATOM 321 CG GLN A 92 8.949 -4.055 7.693 1.00 0.00 C ATOM 322 CD GLN A 92 9.622 -3.419 8.894 1.00 0.00 C ATOM 323 OE1 GLN A 92 9.295 -2.297 9.281 1.00 0.00 O ATOM 324 NE2 GLN A 92 10.568 -4.134 9.491 1.00 0.00 N ATOM 0 H GLN A 92 5.469 -4.890 9.279 1.00 0.00 H new ATOM 0 HA GLN A 92 6.780 -2.670 8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.613 -5.011 9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.427 -5.529 7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.597 -4.832 7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.823 -3.305 6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.807 -5.060 9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.055 -3.757 10.304 1.00 0.00 H new ATOM 333 N GLU A 93 4.986 -4.657 6.171 1.00 0.00 N ATOM 334 CA GLU A 93 4.411 -4.813 4.840 1.00 0.00 C ATOM 335 C GLU A 93 3.507 -3.633 4.495 1.00 0.00 C ATOM 336 O GLU A 93 3.641 -3.024 3.433 1.00 0.00 O ATOM 337 CB GLU A 93 3.619 -6.119 4.752 1.00 0.00 C ATOM 338 CG GLU A 93 4.477 -7.331 4.430 1.00 0.00 C ATOM 339 CD GLU A 93 4.609 -7.573 2.939 1.00 0.00 C ATOM 340 OE1 GLU A 93 4.753 -6.585 2.189 1.00 0.00 O ATOM 341 OE2 GLU A 93 4.567 -8.749 2.522 1.00 0.00 O ATOM 0 H GLU A 93 4.617 -5.303 6.869 1.00 0.00 H new ATOM 0 HA GLU A 93 5.229 -4.843 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.107 -6.288 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.849 -6.016 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.469 -7.194 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.044 -8.214 4.901 1.00 0.00 H new ATOM 348 N LEU A 94 2.587 -3.317 5.399 1.00 0.00 N ATOM 349 CA LEU A 94 1.659 -2.210 5.192 1.00 0.00 C ATOM 350 C LEU A 94 2.395 -0.874 5.203 1.00 0.00 C ATOM 351 O LEU A 94 2.310 -0.100 4.249 1.00 0.00 O ATOM 352 CB LEU A 94 0.576 -2.218 6.272 1.00 0.00 C ATOM 353 CG LEU A 94 -0.700 -1.439 5.949 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.362 -1.996 4.698 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.662 -1.479 7.127 1.00 0.00 C ATOM 0 H LEU A 94 2.463 -3.811 6.283 1.00 0.00 H new ATOM 0 HA LEU A 94 1.191 -2.338 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.304 -3.253 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.003 -1.813 7.189 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.431 -0.400 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.268 -1.430 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.675 -1.914 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.618 -3.043 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.564 -0.920 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.925 -2.514 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.187 -1.032 8.000 1.00 0.00 H new ATOM 367 N ARG A 95 3.118 -0.611 6.286 1.00 0.00 N ATOM 368 CA ARG A 95 3.869 0.631 6.421 1.00 0.00 C ATOM 369 C ARG A 95 4.733 0.880 5.187 1.00 0.00 C ATOM 370 O ARG A 95 4.627 1.923 4.544 1.00 0.00 O ATOM 371 CB ARG A 95 4.748 0.588 7.672 1.00 0.00 C ATOM 372 CG ARG A 95 5.712 1.758 7.780 1.00 0.00 C ATOM 373 CD ARG A 95 6.654 1.597 8.962 1.00 0.00 C ATOM 374 NE ARG A 95 7.722 2.592 8.951 1.00 0.00 N ATOM 375 CZ ARG A 95 8.507 2.840 9.994 1.00 0.00 C ATOM 376 NH1 ARG A 95 8.345 2.167 11.125 1.00 0.00 N ATOM 377 NH2 ARG A 95 9.458 3.761 9.906 1.00 0.00 N ATOM 0 H ARG A 95 3.200 -1.242 7.083 1.00 0.00 H new ATOM 0 HA ARG A 95 3.155 1.449 6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.109 0.573 8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.317 -0.342 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.291 1.839 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.149 2.686 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.089 1.682 9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.089 0.598 8.945 1.00 0.00 H new ATOM 0 HE ARG A 95 7.874 3.126 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.616 1.457 11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.949 2.359 11.924 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.587 4.279 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.060 3.951 10.707 1.00 0.00 H new ATOM 391 N ALA A 96 5.587 -0.085 4.866 1.00 0.00 N ATOM 392 CA ALA A 96 6.468 0.028 3.710 1.00 0.00 C ATOM 393 C ALA A 96 5.688 0.428 2.462 1.00 0.00 C ATOM 394 O ALA A 96 6.096 1.323 1.722 1.00 0.00 O ATOM 395 CB ALA A 96 7.205 -1.283 3.477 1.00 0.00 C ATOM 0 H ALA A 96 5.688 -0.954 5.390 1.00 0.00 H new ATOM 0 HA ALA A 96 7.198 0.810 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.859 -1.184 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.802 -1.526 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.483 -2.079 3.297 1.00 0.00 H new ATOM 401 N LYS A 97 4.563 -0.242 2.234 1.00 0.00 N ATOM 402 CA LYS A 97 3.724 0.043 1.076 1.00 0.00 C ATOM 403 C LYS A 97 3.309 1.511 1.052 1.00 0.00 C ATOM 404 O LYS A 97 3.436 2.186 0.031 1.00 0.00 O ATOM 405 CB LYS A 97 2.481 -0.849 1.089 1.00 0.00 C ATOM 406 CG LYS A 97 1.414 -0.420 0.097 1.00 0.00 C ATOM 407 CD LYS A 97 0.146 -1.244 0.250 1.00 0.00 C ATOM 408 CE LYS A 97 0.166 -2.469 -0.651 1.00 0.00 C ATOM 409 NZ LYS A 97 0.114 -2.099 -2.092 1.00 0.00 N ATOM 0 H LYS A 97 4.211 -0.986 2.836 1.00 0.00 H new ATOM 0 HA LYS A 97 4.305 -0.167 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.778 -1.875 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.054 -0.848 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.183 0.635 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.797 -0.525 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.037 -1.557 1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.721 -0.628 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.069 -3.048 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.681 -3.111 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.713 -2.749 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.867 -2.163 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.459 -1.125 -2.213 1.00 0.00 H new ATOM 423 N PHE A 98 2.815 1.999 2.185 1.00 0.00 N ATOM 424 CA PHE A 98 2.382 3.387 2.295 1.00 0.00 C ATOM 425 C PHE A 98 3.578 4.334 2.267 1.00 0.00 C ATOM 426 O PHE A 98 3.466 5.479 1.832 1.00 0.00 O ATOM 427 CB PHE A 98 1.583 3.594 3.583 1.00 0.00 C ATOM 428 CG PHE A 98 0.142 3.184 3.468 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.235 1.866 3.668 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.834 4.117 3.158 1.00 0.00 C ATOM 431 CE1 PHE A 98 -1.559 1.486 3.563 1.00 0.00 C ATOM 432 CE2 PHE A 98 -2.161 3.743 3.052 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.523 2.425 3.254 1.00 0.00 C ATOM 0 H PHE A 98 2.705 1.454 3.040 1.00 0.00 H new ATOM 0 HA PHE A 98 1.744 3.611 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.051 3.025 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.632 4.645 3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.515 1.127 3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.555 5.148 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.840 0.455 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.913 4.480 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.558 2.130 3.170 1.00 0.00 H new ATOM 443 N GLU A 99 4.722 3.846 2.736 1.00 0.00 N ATOM 444 CA GLU A 99 5.939 4.649 2.766 1.00 0.00 C ATOM 445 C GLU A 99 6.341 5.081 1.359 1.00 0.00 C ATOM 446 O GLU A 99 6.938 6.141 1.171 1.00 0.00 O ATOM 447 CB GLU A 99 7.080 3.862 3.414 1.00 0.00 C ATOM 448 CG GLU A 99 7.096 3.952 4.931 1.00 0.00 C ATOM 449 CD GLU A 99 8.315 3.289 5.542 1.00 0.00 C ATOM 450 OE1 GLU A 99 8.282 2.057 5.744 1.00 0.00 O ATOM 451 OE2 GLU A 99 9.303 4.002 5.818 1.00 0.00 O ATOM 0 H GLU A 99 4.832 2.900 3.100 1.00 0.00 H new ATOM 0 HA GLU A 99 5.740 5.542 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.000 2.815 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.030 4.230 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.069 5.000 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.195 3.484 5.328 1.00 0.00 H new ATOM 458 N GLU A 100 6.008 4.253 0.374 1.00 0.00 N ATOM 459 CA GLU A 100 6.335 4.549 -1.016 1.00 0.00 C ATOM 460 C GLU A 100 5.756 5.898 -1.436 1.00 0.00 C ATOM 461 O GLU A 100 6.319 6.590 -2.285 1.00 0.00 O ATOM 462 CB GLU A 100 5.804 3.446 -1.935 1.00 0.00 C ATOM 463 CG GLU A 100 6.683 2.207 -1.968 1.00 0.00 C ATOM 464 CD GLU A 100 6.454 1.363 -3.206 1.00 0.00 C ATOM 465 OE1 GLU A 100 6.786 1.832 -4.315 1.00 0.00 O ATOM 466 OE2 GLU A 100 5.942 0.232 -3.066 1.00 0.00 O ATOM 0 H GLU A 100 5.512 3.372 0.513 1.00 0.00 H new ATOM 0 HA GLU A 100 7.420 4.595 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.803 3.163 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.709 3.841 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.730 2.508 -1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.489 1.604 -1.081 1.00 0.00 H new ATOM 473 N TYR A 101 4.629 6.263 -0.836 1.00 0.00 N ATOM 474 CA TYR A 101 3.972 7.527 -1.149 1.00 0.00 C ATOM 475 C TYR A 101 4.565 8.667 -0.327 1.00 0.00 C ATOM 476 O TYR A 101 4.968 9.695 -0.869 1.00 0.00 O ATOM 477 CB TYR A 101 2.469 7.422 -0.887 1.00 0.00 C ATOM 478 CG TYR A 101 1.771 6.406 -1.762 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.807 5.052 -1.454 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.074 6.800 -2.898 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.172 4.120 -2.251 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.435 5.875 -3.701 1.00 0.00 C ATOM 483 CZ TYR A 101 0.487 4.536 -3.373 1.00 0.00 C ATOM 484 OH TYR A 101 -0.149 3.611 -4.170 1.00 0.00 O ATOM 0 H TYR A 101 4.151 5.702 -0.131 1.00 0.00 H new ATOM 0 HA TYR A 101 4.136 7.742 -2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.309 7.160 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.012 8.399 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.341 4.722 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.031 7.847 -3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.212 3.071 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.102 6.198 -4.580 1.00 0.00 H new ATOM 0 HH TYR A 101 0.174 2.712 -3.950 1.00 0.00 H new ATOM 494 N GLY A 102 4.614 8.477 0.989 1.00 0.00 N ATOM 495 CA GLY A 102 5.159 9.496 1.866 1.00 0.00 C ATOM 496 C GLY A 102 5.802 8.910 3.107 1.00 0.00 C ATOM 497 O GLY A 102 5.649 7.727 3.412 1.00 0.00 O ATOM 0 H GLY A 102 4.286 7.635 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.898 10.083 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.363 10.180 2.161 1.00 0.00 H new ATOM 501 N PRO A 103 6.544 9.748 3.846 1.00 0.00 N ATOM 502 CA PRO A 103 7.229 9.328 5.072 1.00 0.00 C ATOM 503 C PRO A 103 6.255 9.031 6.207 1.00 0.00 C ATOM 504 O PRO A 103 5.998 9.885 7.057 1.00 0.00 O ATOM 505 CB PRO A 103 8.105 10.534 5.420 1.00 0.00 C ATOM 506 CG PRO A 103 7.414 11.697 4.795 1.00 0.00 C ATOM 507 CD PRO A 103 6.770 11.171 3.542 1.00 0.00 C ATOM 0 HA PRO A 103 7.790 8.404 4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.195 10.660 6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.115 10.416 5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.669 12.117 5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.121 12.494 4.565 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.836 11.688 3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.417 11.299 2.674 1.00 0.00 H new ATOM 515 N VAL A 104 5.717 7.816 6.217 1.00 0.00 N ATOM 516 CA VAL A 104 4.772 7.406 7.249 1.00 0.00 C ATOM 517 C VAL A 104 5.293 7.754 8.639 1.00 0.00 C ATOM 518 O VAL A 104 6.501 7.754 8.879 1.00 0.00 O ATOM 519 CB VAL A 104 4.489 5.894 7.183 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.509 5.486 8.272 1.00 0.00 C ATOM 521 CG2 VAL A 104 3.961 5.511 5.808 1.00 0.00 C ATOM 0 H VAL A 104 5.919 7.098 5.522 1.00 0.00 H new ATOM 0 HA VAL A 104 3.845 7.949 7.064 1.00 0.00 H new ATOM 0 HB VAL A 104 5.424 5.359 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.321 4.414 8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.930 5.724 9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.572 6.027 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.766 4.439 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.037 6.053 5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.701 5.766 5.050 1.00 0.00 H new ATOM 531 N ILE A 105 4.374 8.049 9.553 1.00 0.00 N ATOM 532 CA ILE A 105 4.740 8.397 10.920 1.00 0.00 C ATOM 533 C ILE A 105 4.566 7.206 11.856 1.00 0.00 C ATOM 534 O ILE A 105 5.433 6.920 12.680 1.00 0.00 O ATOM 535 CB ILE A 105 3.900 9.576 11.445 1.00 0.00 C ATOM 536 CG1 ILE A 105 4.065 10.794 10.534 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.301 9.917 12.873 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.097 11.915 10.843 1.00 0.00 C ATOM 0 H ILE A 105 3.370 8.054 9.371 1.00 0.00 H new ATOM 0 HA ILE A 105 5.790 8.690 10.901 1.00 0.00 H new ATOM 0 HB ILE A 105 2.850 9.284 11.443 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.084 11.170 10.624 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.930 10.484 9.498 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.699 10.752 13.230 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.137 9.051 13.514 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.355 10.193 12.899 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.271 12.745 10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.075 11.556 10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.247 12.253 11.869 1.00 0.00 H new ATOM 550 N GLU A 106 3.439 6.514 11.720 1.00 0.00 N ATOM 551 CA GLU A 106 3.151 5.352 12.554 1.00 0.00 C ATOM 552 C GLU A 106 1.978 4.555 11.990 1.00 0.00 C ATOM 553 O GLU A 106 0.866 5.069 11.869 1.00 0.00 O ATOM 554 CB GLU A 106 2.843 5.789 13.987 1.00 0.00 C ATOM 555 CG GLU A 106 4.081 5.955 14.853 1.00 0.00 C ATOM 556 CD GLU A 106 3.786 5.791 16.331 1.00 0.00 C ATOM 557 OE1 GLU A 106 2.954 6.557 16.859 1.00 0.00 O ATOM 558 OE2 GLU A 106 4.387 4.894 16.959 1.00 0.00 O ATOM 0 H GLU A 106 2.711 6.737 11.041 1.00 0.00 H new ATOM 0 HA GLU A 106 4.034 4.712 12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.299 6.733 13.961 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.183 5.054 14.448 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.831 5.223 14.553 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.511 6.941 14.680 1.00 0.00 H new ATOM 565 N CYS A 107 2.236 3.298 11.647 1.00 0.00 N ATOM 566 CA CYS A 107 1.203 2.429 11.095 1.00 0.00 C ATOM 567 C CYS A 107 0.722 1.425 12.138 1.00 0.00 C ATOM 568 O CYS A 107 1.478 1.025 13.023 1.00 0.00 O ATOM 569 CB CYS A 107 1.732 1.691 9.864 1.00 0.00 C ATOM 570 SG CYS A 107 0.583 0.471 9.185 1.00 0.00 S ATOM 0 H CYS A 107 3.151 2.858 11.741 1.00 0.00 H new ATOM 0 HA CYS A 107 0.358 3.052 10.801 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.969 2.421 9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.664 1.190 10.126 1.00 0.00 H new ATOM 0 HG CYS A 107 0.903 0.213 7.952 1.00 0.00 H new ATOM 576 N ASP A 108 -0.540 1.024 12.027 1.00 0.00 N ATOM 577 CA ASP A 108 -1.122 0.067 12.961 1.00 0.00 C ATOM 578 C ASP A 108 -2.093 -0.868 12.246 1.00 0.00 C ATOM 579 O ASP A 108 -2.951 -0.422 11.484 1.00 0.00 O ATOM 580 CB ASP A 108 -1.842 0.801 14.093 1.00 0.00 C ATOM 581 CG ASP A 108 -0.920 1.121 15.253 1.00 0.00 C ATOM 582 OD1 ASP A 108 0.029 0.344 15.490 1.00 0.00 O ATOM 583 OD2 ASP A 108 -1.147 2.150 15.924 1.00 0.00 O ATOM 0 H ASP A 108 -1.179 1.346 11.300 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.314 -0.531 13.382 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.271 1.726 13.708 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.671 0.190 14.449 1.00 0.00 H new ATOM 588 N ILE A 109 -1.950 -2.165 12.496 1.00 0.00 N ATOM 589 CA ILE A 109 -2.814 -3.162 11.877 1.00 0.00 C ATOM 590 C ILE A 109 -3.905 -3.619 12.840 1.00 0.00 C ATOM 591 O ILE A 109 -3.708 -3.636 14.055 1.00 0.00 O ATOM 592 CB ILE A 109 -2.011 -4.390 11.408 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.149 -4.030 10.196 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.949 -5.540 11.075 1.00 0.00 C ATOM 595 CD1 ILE A 109 -0.008 -4.995 9.959 1.00 0.00 C ATOM 0 H ILE A 109 -1.244 -2.550 13.123 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.274 -2.686 11.011 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.353 -4.706 12.217 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.780 -4.000 9.308 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.744 -3.027 10.333 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.367 -6.400 10.745 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.524 -5.809 11.961 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.629 -5.236 10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.561 -4.678 9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.645 -5.007 10.832 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.407 -5.995 9.790 1.00 0.00 H new ATOM 607 N VAL A 110 -5.055 -3.991 12.288 1.00 0.00 N ATOM 608 CA VAL A 110 -6.177 -4.451 13.097 1.00 0.00 C ATOM 609 C VAL A 110 -6.766 -5.742 12.537 1.00 0.00 C ATOM 610 O VAL A 110 -6.371 -6.204 11.467 1.00 0.00 O ATOM 611 CB VAL A 110 -7.287 -3.386 13.177 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.187 -3.640 14.377 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.682 -1.992 13.239 1.00 0.00 C ATOM 0 H VAL A 110 -5.234 -3.983 11.284 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.789 -4.636 14.099 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.897 -3.453 12.276 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.965 -2.877 14.416 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.648 -4.624 14.285 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.594 -3.601 15.291 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.480 -1.251 13.295 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.048 -1.910 14.122 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.084 -1.815 12.345 1.00 0.00 H new ATOM 623 N LYS A 111 -7.713 -6.319 13.268 1.00 0.00 N ATOM 624 CA LYS A 111 -8.359 -7.556 12.845 1.00 0.00 C ATOM 625 C LYS A 111 -8.522 -7.594 11.329 1.00 0.00 C ATOM 626 O LYS A 111 -7.790 -8.298 10.634 1.00 0.00 O ATOM 627 CB LYS A 111 -9.725 -7.699 13.520 1.00 0.00 C ATOM 628 CG LYS A 111 -9.674 -8.429 14.850 1.00 0.00 C ATOM 629 CD LYS A 111 -10.834 -8.035 15.749 1.00 0.00 C ATOM 630 CE LYS A 111 -10.523 -6.772 16.538 1.00 0.00 C ATOM 631 NZ LYS A 111 -11.526 -6.528 17.611 1.00 0.00 N ATOM 0 H LYS A 111 -8.051 -5.950 14.157 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.724 -8.389 13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.149 -6.707 13.676 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.398 -8.232 12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.697 -9.505 14.676 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.732 -8.207 15.352 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.727 -7.877 15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.055 -8.850 16.438 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.530 -6.855 16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.500 -5.918 15.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.279 -5.659 18.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.470 -6.423 17.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.531 -7.332 18.271 1.00 0.00 H new ATOM 645 N ASP A 112 -9.485 -6.831 10.823 1.00 0.00 N ATOM 646 CA ASP A 112 -9.743 -6.776 9.389 1.00 0.00 C ATOM 647 C ASP A 112 -9.561 -5.357 8.859 1.00 0.00 C ATOM 648 O ASP A 112 -9.884 -5.068 7.707 1.00 0.00 O ATOM 649 CB ASP A 112 -11.157 -7.271 9.083 1.00 0.00 C ATOM 650 CG ASP A 112 -11.461 -8.600 9.746 1.00 0.00 C ATOM 651 OD1 ASP A 112 -11.754 -8.604 10.961 1.00 0.00 O ATOM 652 OD2 ASP A 112 -11.408 -9.635 9.051 1.00 0.00 O ATOM 0 H ASP A 112 -10.100 -6.242 11.385 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.024 -7.426 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.880 -6.527 9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.279 -7.370 8.004 1.00 0.00 H new ATOM 657 N TYR A 113 -9.045 -4.475 9.708 1.00 0.00 N ATOM 658 CA TYR A 113 -8.824 -3.086 9.327 1.00 0.00 C ATOM 659 C TYR A 113 -7.442 -2.613 9.767 1.00 0.00 C ATOM 660 O TYR A 113 -6.704 -3.345 10.426 1.00 0.00 O ATOM 661 CB TYR A 113 -9.901 -2.189 9.939 1.00 0.00 C ATOM 662 CG TYR A 113 -10.386 -2.662 11.291 1.00 0.00 C ATOM 663 CD1 TYR A 113 -10.997 -3.901 11.437 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.233 -1.870 12.422 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.442 -4.338 12.670 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.673 -2.299 13.659 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.278 -3.533 13.778 1.00 0.00 C ATOM 668 OH TYR A 113 -11.719 -3.963 15.008 1.00 0.00 O ATOM 0 H TYR A 113 -8.772 -4.698 10.665 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.881 -3.021 8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.507 -1.177 10.037 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.749 -2.136 9.256 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.126 -4.534 10.571 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.762 -0.902 12.333 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.915 -5.304 12.766 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.544 -1.672 14.529 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.526 -3.278 15.682 1.00 0.00 H new ATOM 678 N ALA A 114 -7.099 -1.383 9.399 1.00 0.00 N ATOM 679 CA ALA A 114 -5.808 -0.809 9.758 1.00 0.00 C ATOM 680 C ALA A 114 -5.872 0.714 9.786 1.00 0.00 C ATOM 681 O ALA A 114 -6.911 1.307 9.494 1.00 0.00 O ATOM 682 CB ALA A 114 -4.735 -1.276 8.786 1.00 0.00 C ATOM 0 H ALA A 114 -7.698 -0.764 8.852 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.551 -1.154 10.760 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.776 -0.840 9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.663 -2.363 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.996 -0.960 7.776 1.00 0.00 H new ATOM 688 N PHE A 115 -4.756 1.342 10.141 1.00 0.00 N ATOM 689 CA PHE A 115 -4.687 2.797 10.209 1.00 0.00 C ATOM 690 C PHE A 115 -3.257 3.284 9.991 1.00 0.00 C ATOM 691 O PHE A 115 -2.376 3.049 10.818 1.00 0.00 O ATOM 692 CB PHE A 115 -5.205 3.291 11.561 1.00 0.00 C ATOM 693 CG PHE A 115 -6.596 2.822 11.877 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.810 1.573 12.438 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.691 3.630 11.614 1.00 0.00 C ATOM 696 CE1 PHE A 115 -8.090 1.139 12.729 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.973 3.201 11.903 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.172 1.955 12.463 1.00 0.00 C ATOM 0 H PHE A 115 -3.888 0.866 10.386 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.316 3.203 9.417 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.529 2.952 12.346 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.186 4.381 11.572 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.967 0.932 12.650 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.541 4.607 11.178 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.244 0.163 13.164 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.818 3.840 11.691 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.172 1.619 12.693 1.00 0.00 H new ATOM 708 N VAL A 116 -3.034 3.964 8.871 1.00 0.00 N ATOM 709 CA VAL A 116 -1.713 4.485 8.543 1.00 0.00 C ATOM 710 C VAL A 116 -1.626 5.981 8.824 1.00 0.00 C ATOM 711 O VAL A 116 -2.321 6.783 8.198 1.00 0.00 O ATOM 712 CB VAL A 116 -1.360 4.231 7.065 1.00 0.00 C ATOM 713 CG1 VAL A 116 -0.006 4.837 6.727 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.375 2.740 6.763 1.00 0.00 C ATOM 0 H VAL A 116 -3.752 4.167 8.175 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.999 3.957 9.176 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.113 4.713 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.226 4.647 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.034 5.912 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.762 4.386 7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.124 2.579 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.644 2.234 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.368 2.338 6.964 1.00 0.00 H new ATOM 724 N HIS A 117 -0.769 6.351 9.770 1.00 0.00 N ATOM 725 CA HIS A 117 -0.590 7.752 10.134 1.00 0.00 C ATOM 726 C HIS A 117 0.442 8.421 9.231 1.00 0.00 C ATOM 727 O HIS A 117 1.645 8.222 9.393 1.00 0.00 O ATOM 728 CB HIS A 117 -0.158 7.870 11.596 1.00 0.00 C ATOM 729 CG HIS A 117 -0.616 9.134 12.256 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.362 9.149 13.416 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.429 10.430 11.914 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.615 10.400 13.757 1.00 0.00 C ATOM 733 NE2 HIS A 117 -1.059 11.197 12.863 1.00 0.00 N ATOM 0 H HIS A 117 -0.188 5.700 10.298 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.545 8.260 10.003 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.549 7.018 12.152 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.929 7.815 11.651 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.115 10.793 11.054 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.181 10.717 14.621 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.092 12.216 12.875 1.00 0.00 H new ATOM 742 N MET A 118 -0.039 9.215 8.279 1.00 0.00 N ATOM 743 CA MET A 118 0.843 9.913 7.350 1.00 0.00 C ATOM 744 C MET A 118 1.236 11.281 7.899 1.00 0.00 C ATOM 745 O MET A 118 0.568 11.822 8.779 1.00 0.00 O ATOM 746 CB MET A 118 0.162 10.073 5.990 1.00 0.00 C ATOM 747 CG MET A 118 0.443 8.927 5.031 1.00 0.00 C ATOM 748 SD MET A 118 2.206 8.661 4.765 1.00 0.00 S ATOM 749 CE MET A 118 2.220 8.194 3.036 1.00 0.00 C ATOM 0 H MET A 118 -1.033 9.391 8.131 1.00 0.00 H new ATOM 0 HA MET A 118 1.747 9.316 7.227 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.915 10.155 6.139 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.493 11.006 5.535 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.003 8.013 5.423 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.038 9.132 4.075 1.00 0.00 H new ATOM 0 HE1 MET A 118 3.053 7.517 2.849 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.284 7.695 2.786 1.00 0.00 H new ATOM 0 HE3 MET A 118 2.332 9.086 2.419 1.00 0.00 H new ATOM 759 N GLU A 119 2.324 11.835 7.372 1.00 0.00 N ATOM 760 CA GLU A 119 2.805 13.140 7.810 1.00 0.00 C ATOM 761 C GLU A 119 2.140 14.260 7.016 1.00 0.00 C ATOM 762 O GLU A 119 1.453 15.112 7.580 1.00 0.00 O ATOM 763 CB GLU A 119 4.325 13.224 7.659 1.00 0.00 C ATOM 764 CG GLU A 119 4.906 14.560 8.092 1.00 0.00 C ATOM 765 CD GLU A 119 6.390 14.479 8.397 1.00 0.00 C ATOM 766 OE1 GLU A 119 7.051 13.550 7.888 1.00 0.00 O ATOM 767 OE2 GLU A 119 6.889 15.346 9.144 1.00 0.00 O ATOM 0 H GLU A 119 2.888 11.401 6.642 1.00 0.00 H new ATOM 0 HA GLU A 119 2.545 13.261 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.785 12.430 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.589 13.043 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.740 15.296 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.376 14.913 8.976 1.00 0.00 H new ATOM 774 N ARG A 120 2.351 14.253 5.704 1.00 0.00 N ATOM 775 CA ARG A 120 1.775 15.269 4.831 1.00 0.00 C ATOM 776 C ARG A 120 0.534 14.735 4.121 1.00 0.00 C ATOM 777 O ARG A 120 0.468 13.558 3.767 1.00 0.00 O ATOM 778 CB ARG A 120 2.806 15.731 3.801 1.00 0.00 C ATOM 779 CG ARG A 120 4.079 16.287 4.420 1.00 0.00 C ATOM 780 CD ARG A 120 3.840 17.646 5.059 1.00 0.00 C ATOM 781 NE ARG A 120 5.091 18.319 5.398 1.00 0.00 N ATOM 782 CZ ARG A 120 5.190 19.262 6.327 1.00 0.00 C ATOM 783 NH1 ARG A 120 4.118 19.641 7.008 1.00 0.00 N ATOM 784 NH2 ARG A 120 6.364 19.827 6.579 1.00 0.00 N ATOM 0 H ARG A 120 2.917 13.555 5.222 1.00 0.00 H new ATOM 0 HA ARG A 120 1.482 16.119 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.063 14.892 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.356 16.495 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.454 15.591 5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.849 16.374 3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.265 18.272 4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.239 17.522 5.960 1.00 0.00 H new ATOM 0 HE ARG A 120 5.935 18.050 4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.214 19.208 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.197 20.366 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.192 19.537 6.059 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.439 20.551 7.293 1.00 0.00 H new ATOM 798 N ALA A 121 -0.446 15.609 3.917 1.00 0.00 N ATOM 799 CA ALA A 121 -1.683 15.226 3.248 1.00 0.00 C ATOM 800 C ALA A 121 -1.424 14.829 1.799 1.00 0.00 C ATOM 801 O ALA A 121 -1.872 13.777 1.345 1.00 0.00 O ATOM 802 CB ALA A 121 -2.692 16.364 3.313 1.00 0.00 C ATOM 0 H ALA A 121 -0.407 16.587 4.205 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.094 14.360 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.611 16.064 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.909 16.599 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.279 17.245 2.821 1.00 0.00 H new ATOM 808 N GLU A 122 -0.697 15.678 1.078 1.00 0.00 N ATOM 809 CA GLU A 122 -0.380 15.414 -0.321 1.00 0.00 C ATOM 810 C GLU A 122 0.008 13.952 -0.524 1.00 0.00 C ATOM 811 O GLU A 122 -0.358 13.336 -1.525 1.00 0.00 O ATOM 812 CB GLU A 122 0.757 16.325 -0.789 1.00 0.00 C ATOM 813 CG GLU A 122 0.407 17.803 -0.752 1.00 0.00 C ATOM 814 CD GLU A 122 -0.381 18.247 -1.969 1.00 0.00 C ATOM 815 OE1 GLU A 122 0.139 18.108 -3.096 1.00 0.00 O ATOM 816 OE2 GLU A 122 -1.517 18.734 -1.794 1.00 0.00 O ATOM 0 H GLU A 122 -0.317 16.553 1.439 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.270 15.621 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.632 16.152 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.035 16.051 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.172 18.013 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.324 18.388 -0.684 1.00 0.00 H new ATOM 823 N ASP A 123 0.752 13.405 0.431 1.00 0.00 N ATOM 824 CA ASP A 123 1.190 12.016 0.358 1.00 0.00 C ATOM 825 C ASP A 123 0.062 11.069 0.756 1.00 0.00 C ATOM 826 O ASP A 123 -0.164 10.049 0.106 1.00 0.00 O ATOM 827 CB ASP A 123 2.403 11.793 1.262 1.00 0.00 C ATOM 828 CG ASP A 123 3.669 12.404 0.693 1.00 0.00 C ATOM 829 OD1 ASP A 123 3.980 12.133 -0.485 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.348 13.152 1.427 1.00 0.00 O ATOM 0 H ASP A 123 1.064 13.902 1.265 1.00 0.00 H new ATOM 0 HA ASP A 123 1.472 11.803 -0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.205 12.223 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.553 10.723 1.407 1.00 0.00 H new ATOM 835 N ALA A 124 -0.642 11.414 1.829 1.00 0.00 N ATOM 836 CA ALA A 124 -1.747 10.595 2.314 1.00 0.00 C ATOM 837 C ALA A 124 -2.804 10.404 1.232 1.00 0.00 C ATOM 838 O ALA A 124 -3.177 9.277 0.906 1.00 0.00 O ATOM 839 CB ALA A 124 -2.365 11.223 3.554 1.00 0.00 C ATOM 0 H ALA A 124 -0.467 12.255 2.379 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.352 9.614 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.188 10.601 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.610 11.302 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.740 12.217 3.310 1.00 0.00 H new ATOM 845 N VAL A 125 -3.285 11.513 0.678 1.00 0.00 N ATOM 846 CA VAL A 125 -4.299 11.467 -0.368 1.00 0.00 C ATOM 847 C VAL A 125 -3.853 10.585 -1.529 1.00 0.00 C ATOM 848 O VAL A 125 -4.661 9.880 -2.132 1.00 0.00 O ATOM 849 CB VAL A 125 -4.619 12.876 -0.902 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.537 12.793 -2.112 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.240 13.732 0.192 1.00 0.00 C ATOM 0 H VAL A 125 -2.988 12.454 0.937 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.197 11.044 0.081 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.687 13.347 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.752 13.798 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.049 12.219 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.468 12.303 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.460 14.724 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.163 13.267 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.543 13.819 1.025 1.00 0.00 H new ATOM 861 N GLU A 126 -2.560 10.630 -1.836 1.00 0.00 N ATOM 862 CA GLU A 126 -2.007 9.834 -2.925 1.00 0.00 C ATOM 863 C GLU A 126 -2.013 8.350 -2.572 1.00 0.00 C ATOM 864 O GLU A 126 -2.487 7.519 -3.346 1.00 0.00 O ATOM 865 CB GLU A 126 -0.581 10.288 -3.244 1.00 0.00 C ATOM 866 CG GLU A 126 -0.516 11.445 -4.228 1.00 0.00 C ATOM 867 CD GLU A 126 0.817 11.525 -4.947 1.00 0.00 C ATOM 868 OE1 GLU A 126 1.840 11.138 -4.346 1.00 0.00 O ATOM 869 OE2 GLU A 126 0.835 11.974 -6.112 1.00 0.00 O ATOM 0 H GLU A 126 -1.877 11.208 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.634 9.983 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.086 10.581 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.023 9.445 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.315 11.338 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -0.695 12.380 -3.696 1.00 0.00 H new ATOM 876 N ALA A 127 -1.481 8.025 -1.398 1.00 0.00 N ATOM 877 CA ALA A 127 -1.426 6.641 -0.941 1.00 0.00 C ATOM 878 C ALA A 127 -2.797 5.980 -1.028 1.00 0.00 C ATOM 879 O ALA A 127 -2.901 4.765 -1.201 1.00 0.00 O ATOM 880 CB ALA A 127 -0.896 6.577 0.483 1.00 0.00 C ATOM 0 H ALA A 127 -1.082 8.701 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.746 6.094 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.860 5.538 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.107 7.003 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.554 7.143 1.142 1.00 0.00 H new ATOM 886 N ILE A 128 -3.847 6.786 -0.905 1.00 0.00 N ATOM 887 CA ILE A 128 -5.211 6.277 -0.970 1.00 0.00 C ATOM 888 C ILE A 128 -5.639 6.032 -2.413 1.00 0.00 C ATOM 889 O ILE A 128 -5.908 4.898 -2.807 1.00 0.00 O ATOM 890 CB ILE A 128 -6.206 7.250 -0.310 1.00 0.00 C ATOM 891 CG1 ILE A 128 -5.919 7.369 1.188 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.636 6.786 -0.545 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.591 8.557 1.840 1.00 0.00 C ATOM 0 H ILE A 128 -3.779 7.793 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.222 5.333 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.084 8.234 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.248 6.457 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.842 7.443 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.327 7.484 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.835 6.748 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.772 5.794 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.343 8.578 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.243 9.476 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.671 8.474 1.721 1.00 0.00 H new ATOM 905 N ARG A 129 -5.697 7.104 -3.197 1.00 0.00 N ATOM 906 CA ARG A 129 -6.091 7.005 -4.598 1.00 0.00 C ATOM 907 C ARG A 129 -5.394 5.830 -5.277 1.00 0.00 C ATOM 908 O ARG A 129 -5.880 5.299 -6.275 1.00 0.00 O ATOM 909 CB ARG A 129 -5.759 8.304 -5.335 1.00 0.00 C ATOM 910 CG ARG A 129 -6.701 8.606 -6.489 1.00 0.00 C ATOM 911 CD ARG A 129 -6.442 9.986 -7.073 1.00 0.00 C ATOM 912 NE ARG A 129 -5.269 10.002 -7.942 1.00 0.00 N ATOM 913 CZ ARG A 129 -5.303 9.667 -9.228 1.00 0.00 C ATOM 914 NH1 ARG A 129 -6.444 9.293 -9.789 1.00 0.00 N ATOM 915 NH2 ARG A 129 -4.193 9.706 -9.954 1.00 0.00 N ATOM 0 H ARG A 129 -5.476 8.050 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.167 6.838 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.789 9.132 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.739 8.246 -5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.579 7.852 -7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.733 8.544 -6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.316 10.310 -7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.303 10.702 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.375 10.286 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.299 9.262 -9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.467 9.037 -10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.313 9.993 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -4.220 9.449 -10.941 1.00 0.00 H new ATOM 929 N GLY A 130 -4.252 5.428 -4.728 1.00 0.00 N ATOM 930 CA GLY A 130 -3.507 4.319 -5.295 1.00 0.00 C ATOM 931 C GLY A 130 -3.783 3.010 -4.581 1.00 0.00 C ATOM 932 O GLY A 130 -4.214 2.036 -5.199 1.00 0.00 O ATOM 0 H GLY A 130 -3.830 5.850 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.762 4.215 -6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.440 4.539 -5.245 1.00 0.00 H new ATOM 936 N LEU A 131 -3.533 2.986 -3.276 1.00 0.00 N ATOM 937 CA LEU A 131 -3.756 1.786 -2.477 1.00 0.00 C ATOM 938 C LEU A 131 -5.247 1.507 -2.318 1.00 0.00 C ATOM 939 O LEU A 131 -5.641 0.503 -1.725 1.00 0.00 O ATOM 940 CB LEU A 131 -3.104 1.938 -1.102 1.00 0.00 C ATOM 941 CG LEU A 131 -1.599 2.211 -1.098 1.00 0.00 C ATOM 942 CD1 LEU A 131 -1.067 2.250 0.326 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.864 1.158 -1.916 1.00 0.00 C ATOM 0 H LEU A 131 -3.176 3.783 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.301 0.943 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.602 2.752 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.289 1.028 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.424 3.185 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.005 2.445 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.571 3.041 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.253 1.292 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.206 1.368 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.046 0.172 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.225 1.179 -2.944 1.00 0.00 H new ATOM 955 N ASP A 132 -6.071 2.401 -2.852 1.00 0.00 N ATOM 956 CA ASP A 132 -7.519 2.250 -2.773 1.00 0.00 C ATOM 957 C ASP A 132 -7.992 1.083 -3.635 1.00 0.00 C ATOM 958 O ASP A 132 -7.862 1.110 -4.858 1.00 0.00 O ATOM 959 CB ASP A 132 -8.213 3.540 -3.213 1.00 0.00 C ATOM 960 CG ASP A 132 -9.639 3.302 -3.670 1.00 0.00 C ATOM 961 OD1 ASP A 132 -9.832 2.945 -4.852 1.00 0.00 O ATOM 962 OD2 ASP A 132 -10.562 3.473 -2.847 1.00 0.00 O ATOM 0 H ASP A 132 -5.761 3.239 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.781 2.042 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.213 4.250 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.646 3.996 -4.024 1.00 0.00 H new ATOM 967 N ASN A 133 -8.540 0.060 -2.987 1.00 0.00 N ATOM 968 CA ASN A 133 -9.030 -1.118 -3.694 1.00 0.00 C ATOM 969 C ASN A 133 -7.888 -1.845 -4.397 1.00 0.00 C ATOM 970 O ASN A 133 -7.956 -2.121 -5.595 1.00 0.00 O ATOM 971 CB ASN A 133 -10.098 -0.718 -4.714 1.00 0.00 C ATOM 972 CG ASN A 133 -11.296 -0.051 -4.065 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.505 1.153 -4.212 1.00 0.00 O ATOM 974 ND2 ASN A 133 -12.089 -0.833 -3.342 1.00 0.00 N ATOM 0 H ASN A 133 -8.656 0.023 -1.974 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.471 -1.794 -2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.661 -0.040 -5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.428 -1.604 -5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.910 -0.440 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -11.877 -1.826 -3.247 1.00 0.00 H new ATOM 981 N THR A 134 -6.838 -2.155 -3.642 1.00 0.00 N ATOM 982 CA THR A 134 -5.680 -2.850 -4.191 1.00 0.00 C ATOM 983 C THR A 134 -5.475 -4.199 -3.511 1.00 0.00 C ATOM 984 O THR A 134 -5.442 -4.286 -2.284 1.00 0.00 O ATOM 985 CB THR A 134 -4.397 -2.011 -4.040 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.159 -1.726 -2.658 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.507 -0.710 -4.821 1.00 0.00 C ATOM 0 H THR A 134 -6.766 -1.936 -2.648 1.00 0.00 H new ATOM 0 HA THR A 134 -5.879 -3.007 -5.251 1.00 0.00 H new ATOM 0 HB THR A 134 -3.562 -2.587 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.692 -0.949 -2.388 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.590 -0.134 -4.700 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.659 -0.932 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.351 -0.131 -4.446 1.00 0.00 H new ATOM 995 N GLU A 135 -5.337 -5.248 -4.316 1.00 0.00 N ATOM 996 CA GLU A 135 -5.135 -6.592 -3.790 1.00 0.00 C ATOM 997 C GLU A 135 -3.962 -6.624 -2.814 1.00 0.00 C ATOM 998 O GLU A 135 -2.806 -6.474 -3.210 1.00 0.00 O ATOM 999 CB GLU A 135 -4.889 -7.580 -4.932 1.00 0.00 C ATOM 1000 CG GLU A 135 -4.969 -9.036 -4.506 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.741 -9.995 -5.659 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -3.614 -10.019 -6.197 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -5.689 -10.721 -6.023 1.00 0.00 O ATOM 0 H GLU A 135 -5.361 -5.192 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.039 -6.884 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.620 -7.400 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -3.905 -7.389 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.228 -9.225 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.948 -9.229 -4.066 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.269 -6.820 -1.536 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.241 -6.870 -0.502 1.00 0.00 C ATOM 1012 C PHE A 136 -3.074 -8.290 0.030 1.00 0.00 C ATOM 1013 O PHE A 136 -3.981 -8.841 0.653 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.595 -5.922 0.645 1.00 0.00 C ATOM 1015 CG PHE A 136 -2.469 -5.707 1.615 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -2.037 -6.737 2.435 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.841 -4.475 1.707 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -1.000 -6.544 3.328 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.804 -4.276 2.598 1.00 0.00 C ATOM 1020 CZ PHE A 136 -0.384 -5.311 3.411 1.00 0.00 C ATOM 0 H PHE A 136 -5.221 -6.947 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.297 -6.554 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.895 -4.960 0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.456 -6.320 1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.517 -7.703 2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.166 -3.662 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -0.672 -7.356 3.960 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.322 -3.312 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.425 -5.156 4.110 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.907 -8.876 -0.221 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.621 -10.232 0.232 1.00 0.00 C ATOM 1032 C GLN A 137 -2.728 -11.192 -0.192 1.00 0.00 C ATOM 1033 O GLN A 137 -3.046 -12.143 0.521 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.459 -10.261 1.752 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.128 -9.708 2.233 1.00 0.00 C ATOM 1036 CD GLN A 137 0.343 -10.356 3.520 1.00 0.00 C ATOM 1037 OE1 GLN A 137 -0.005 -11.499 3.816 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.140 -9.627 4.294 1.00 0.00 N ATOM 0 H GLN A 137 -1.145 -8.433 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.688 -10.554 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.267 -9.687 2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.563 -11.289 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 137 0.624 -9.858 1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -0.219 -8.632 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.403 -8.684 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.488 -10.011 5.172 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.311 -10.937 -1.360 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.376 -11.787 -1.858 1.00 0.00 C ATOM 1049 C GLY A 138 -5.738 -11.127 -1.764 1.00 0.00 C ATOM 1050 O GLY A 138 -6.531 -11.186 -2.703 1.00 0.00 O ATOM 0 H GLY A 138 -3.064 -10.157 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.173 -12.047 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.387 -12.719 -1.292 1.00 0.00 H new ATOM 1054 N LYS A 139 -6.010 -10.496 -0.627 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.285 -9.822 -0.412 1.00 0.00 C ATOM 1056 C LYS A 139 -7.139 -8.314 -0.586 1.00 0.00 C ATOM 1057 O LYS A 139 -6.233 -7.699 -0.022 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.821 -10.134 0.987 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.835 -9.824 2.100 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.451 -10.051 3.470 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.516 -11.531 3.815 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.791 -12.151 3.360 1.00 0.00 N ATOM 0 H LYS A 139 -5.364 -10.437 0.160 1.00 0.00 H new ATOM 0 HA LYS A 139 -7.992 -10.190 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.734 -9.563 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.092 -11.189 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -5.951 -10.452 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.504 -8.789 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.865 -9.526 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.455 -9.627 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -6.675 -12.049 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -7.415 -11.657 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -9.348 -12.447 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.335 -11.459 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -8.582 -12.981 2.769 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.036 -7.724 -1.370 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.006 -6.287 -1.618 1.00 0.00 C ATOM 1078 C ARG A 140 -8.601 -5.520 -0.441 1.00 0.00 C ATOM 1079 O ARG A 140 -9.716 -5.803 -0.003 1.00 0.00 O ATOM 1080 CB ARG A 140 -8.773 -5.953 -2.898 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.051 -4.469 -3.073 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.244 -4.229 -3.984 1.00 0.00 C ATOM 1083 NE ARG A 140 -9.996 -4.698 -5.345 1.00 0.00 N ATOM 1084 CZ ARG A 140 -10.962 -5.005 -6.204 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.233 -4.892 -5.845 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -10.657 -5.425 -7.425 1.00 0.00 N ATOM 0 H ARG A 140 -8.792 -8.218 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 140 -6.965 -5.986 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.204 -6.311 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.720 -6.493 -2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.238 -4.016 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.170 -3.979 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.118 -4.739 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.476 -3.164 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.028 -4.795 -5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.471 -4.569 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -12.973 -5.128 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.680 -5.513 -7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -11.399 -5.660 -8.084 1.00 0.00 H new ATOM 1100 N MET A 141 -7.850 -4.548 0.067 1.00 0.00 N ATOM 1101 CA MET A 141 -8.304 -3.740 1.192 1.00 0.00 C ATOM 1102 C MET A 141 -8.739 -2.354 0.726 1.00 0.00 C ATOM 1103 O MET A 141 -8.215 -1.826 -0.256 1.00 0.00 O ATOM 1104 CB MET A 141 -7.194 -3.614 2.238 1.00 0.00 C ATOM 1105 CG MET A 141 -5.795 -3.639 1.645 1.00 0.00 C ATOM 1106 SD MET A 141 -4.612 -2.685 2.615 1.00 0.00 S ATOM 1107 CE MET A 141 -3.982 -1.561 1.371 1.00 0.00 C ATOM 0 H MET A 141 -6.924 -4.301 -0.283 1.00 0.00 H new ATOM 0 HA MET A 141 -9.163 -4.239 1.642 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.329 -2.684 2.789 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.290 -4.428 2.957 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.453 -4.671 1.575 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.828 -3.245 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.404 -0.772 1.853 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.343 -2.107 0.677 1.00 0.00 H new ATOM 0 HE3 MET A 141 -4.815 -1.118 0.825 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.700 -1.770 1.435 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.204 -0.445 1.094 1.00 0.00 C ATOM 1119 C HIS A 142 -9.502 0.632 1.914 1.00 0.00 C ATOM 1120 O HIS A 142 -9.619 0.669 3.139 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.714 -0.376 1.326 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.449 -1.593 0.854 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.738 -1.891 1.242 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.069 -2.589 0.020 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.119 -3.019 0.668 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.124 -3.462 -0.079 1.00 0.00 N ATOM 0 H HIS A 142 -10.145 -2.194 2.249 1.00 0.00 H new ATOM 0 HA HIS A 142 -9.997 -0.265 0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.904 -0.237 2.390 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.112 0.500 0.814 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.114 -2.680 -0.475 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.080 -3.497 0.789 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.137 -4.315 -0.639 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.771 1.507 1.231 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.050 2.586 1.896 1.00 0.00 C ATOM 1137 C VAL A 143 -8.780 3.915 1.738 1.00 0.00 C ATOM 1138 O VAL A 143 -9.288 4.230 0.662 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.620 2.729 1.343 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.862 3.813 2.095 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -5.883 1.401 1.421 1.00 0.00 C ATOM 0 H VAL A 143 -8.662 1.490 0.217 1.00 0.00 H new ATOM 0 HA VAL A 143 -7.999 2.327 2.954 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.683 3.023 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.854 3.899 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.381 4.765 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.807 3.552 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.874 1.521 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.830 1.075 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.416 0.654 0.833 1.00 0.00 H new ATOM 1151 N GLN A 144 -8.827 4.690 2.817 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.496 5.985 2.797 1.00 0.00 C ATOM 1153 C GLN A 144 -9.092 6.825 4.004 1.00 0.00 C ATOM 1154 O GLN A 144 -8.237 6.423 4.796 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.014 5.799 2.776 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.576 5.237 4.071 1.00 0.00 C ATOM 1157 CD GLN A 144 -12.904 4.533 3.874 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.016 3.324 4.079 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.921 5.288 3.474 1.00 0.00 N ATOM 0 H GLN A 144 -8.410 4.444 3.715 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.189 6.510 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.487 6.760 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.279 5.132 1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.859 4.538 4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.702 6.047 4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -13.784 6.286 3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.839 4.869 3.325 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.709 7.993 4.140 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.414 8.890 5.252 1.00 0.00 C ATOM 1170 C LEU A 145 -10.068 8.397 6.538 1.00 0.00 C ATOM 1171 O LEU A 145 -11.271 8.141 6.576 1.00 0.00 O ATOM 1172 CB LEU A 145 -9.895 10.306 4.931 1.00 0.00 C ATOM 1173 CG LEU A 145 -8.887 11.215 4.226 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.686 11.475 5.122 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -8.447 10.600 2.906 1.00 0.00 C ATOM 0 H LEU A 145 -10.417 8.342 3.494 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.334 8.904 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.786 10.233 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.197 10.785 5.862 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.371 12.169 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -6.979 12.123 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.016 11.959 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.201 10.529 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.730 11.260 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.981 9.633 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.315 10.466 2.260 1.00 0.00 H new