USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 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 75 ASN : amide:sc= -0.0161 K(o=-0.16,f=0.47) USER MOD Set 1.2: A 76 MET CE :methyl -107:sc= -0.142 (180deg=-2.55!) USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.548 USER MOD Set 2.2: A 58 THR OG1 : rot 126:sc= -6.01! USER MOD Single : A 4 ASN : amide:sc= -4.57! C(o=-4.6!,f=-2.6!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 10 GLN : amide:sc= -0.442 K(o=-0.44,f=-1.7!) USER MOD Single : A 13 GLN : amide:sc= 0.00743 K(o=0.0074,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -9:sc= 0.407 USER MOD Single : A 24 THR OG1 : rot -53:sc= 0.798 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -51:sc= 1.01 USER MOD Single : A 32 HIS : no HE2:sc= -11.7! C(o=-12!,f=-16!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 18:sc= 0.0887 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 62 THR OG1 : rot 171:sc= -0.709 USER MOD Single : A 65 THR OG1 : rot 78:sc= -5.21! USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0537) USER MOD Single : A 70 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.4!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.201! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot -127:sc= -1.3 USER MOD Single : A 92 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.5) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.25 K(o=-0.25,f=-3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot -46:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -8.618 8.067 7.476 1.00 0.00 N ATOM 50 CA ASN A 4 -8.144 7.508 6.222 1.00 0.00 C ATOM 51 C ASN A 4 -8.440 6.007 6.193 1.00 0.00 C ATOM 52 O ASN A 4 -8.640 5.390 7.238 1.00 0.00 O ATOM 53 CB ASN A 4 -6.633 7.695 6.071 1.00 0.00 C ATOM 54 CG ASN A 4 -6.039 6.634 5.144 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.145 6.703 3.930 1.00 0.00 O ATOM 56 ND2 ASN A 4 -5.409 5.651 5.780 1.00 0.00 N ATOM 0 HA ASN A 4 -8.654 8.025 5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.424 8.688 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.156 7.636 7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.978 4.894 5.249 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.357 5.654 6.799 1.00 0.00 H new ATOM 63 N ASP A 5 -8.457 5.463 4.985 1.00 0.00 N ATOM 64 CA ASP A 5 -8.725 4.046 4.807 1.00 0.00 C ATOM 65 C ASP A 5 -7.399 3.285 4.741 1.00 0.00 C ATOM 66 O ASP A 5 -7.188 2.332 5.489 1.00 0.00 O ATOM 67 CB ASP A 5 -9.482 3.788 3.503 1.00 0.00 C ATOM 68 CG ASP A 5 -10.815 4.529 3.372 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.121 5.436 4.160 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.565 4.134 2.400 1.00 0.00 O ATOM 0 H ASP A 5 -8.290 5.978 4.120 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.330 3.709 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.842 4.071 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.668 2.718 3.414 1.00 0.00 H new ATOM 76 N ILE A 6 -6.539 3.735 3.839 1.00 0.00 N ATOM 77 CA ILE A 6 -5.239 3.109 3.666 1.00 0.00 C ATOM 78 C ILE A 6 -4.235 4.155 3.179 1.00 0.00 C ATOM 79 O ILE A 6 -4.579 5.030 2.386 1.00 0.00 O ATOM 80 CB ILE A 6 -5.350 1.890 2.748 1.00 0.00 C ATOM 81 CG1 ILE A 6 -3.972 1.286 2.469 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.094 2.240 1.458 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.096 -0.147 1.948 1.00 0.00 C ATOM 0 H ILE A 6 -6.717 4.526 3.220 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.869 2.730 4.619 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.937 1.129 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.444 1.898 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.376 1.295 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.159 1.356 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.098 2.587 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.556 3.027 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.102 -0.552 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.603 -0.762 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.672 -0.149 1.023 1.00 0.00 H new ATOM 95 N THR A 7 -3.013 4.031 3.676 1.00 0.00 N ATOM 96 CA THR A 7 -1.955 4.955 3.302 1.00 0.00 C ATOM 97 C THR A 7 -0.984 4.288 2.326 1.00 0.00 C ATOM 98 O THR A 7 -1.122 3.105 2.019 1.00 0.00 O ATOM 99 CB THR A 7 -1.284 5.449 4.585 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.246 4.297 5.423 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.155 6.443 5.356 1.00 0.00 C ATOM 0 H THR A 7 -2.732 3.305 4.335 1.00 0.00 H new ATOM 0 HA THR A 7 -2.354 5.820 2.773 1.00 0.00 H new ATOM 0 HB THR A 7 -0.331 5.917 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.824 4.527 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.632 6.762 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.359 7.311 4.729 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.095 5.965 5.632 1.00 0.00 H new ATOM 109 N PHE A 8 -0.024 5.076 1.866 1.00 0.00 N ATOM 110 CA PHE A 8 0.970 4.576 0.931 1.00 0.00 C ATOM 111 C PHE A 8 2.192 5.495 0.887 1.00 0.00 C ATOM 112 O PHE A 8 2.084 6.661 0.509 1.00 0.00 O ATOM 113 CB PHE A 8 0.313 4.554 -0.451 1.00 0.00 C ATOM 114 CG PHE A 8 -1.021 3.807 -0.494 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.174 4.454 -0.175 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.054 2.495 -0.850 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.412 3.761 -0.215 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.293 1.801 -0.890 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.446 2.449 -0.571 1.00 0.00 C ATOM 0 H PHE A 8 0.087 6.057 2.123 1.00 0.00 H new ATOM 0 HA PHE A 8 1.305 3.585 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.154 5.580 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.999 4.092 -1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.148 5.496 0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.138 1.981 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.327 4.276 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.320 0.759 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.388 1.922 -0.601 1.00 0.00 H new ATOM 129 N PHE A 9 3.328 4.936 1.278 1.00 0.00 N ATOM 130 CA PHE A 9 4.569 5.691 1.288 1.00 0.00 C ATOM 131 C PHE A 9 4.644 6.640 0.090 1.00 0.00 C ATOM 132 O PHE A 9 3.997 6.409 -0.930 1.00 0.00 O ATOM 133 CB PHE A 9 5.711 4.676 1.192 1.00 0.00 C ATOM 134 CG PHE A 9 7.102 5.285 1.375 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.278 6.337 2.220 1.00 0.00 C ATOM 136 CD2 PHE A 9 8.163 4.776 0.694 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.569 6.902 2.390 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.454 5.342 0.864 1.00 0.00 C ATOM 139 CZ PHE A 9 9.630 6.393 1.709 1.00 0.00 C ATOM 0 H PHE A 9 3.415 3.969 1.590 1.00 0.00 H new ATOM 0 HA PHE A 9 4.632 6.290 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.562 3.904 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.666 4.185 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.436 6.742 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.024 3.941 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.709 7.737 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.296 4.938 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.612 6.823 1.839 1.00 0.00 H new ATOM 149 N GLN A 10 5.439 7.687 0.254 1.00 0.00 N ATOM 150 CA GLN A 10 5.606 8.672 -0.801 1.00 0.00 C ATOM 151 C GLN A 10 5.913 7.978 -2.130 1.00 0.00 C ATOM 152 O GLN A 10 5.309 8.295 -3.154 1.00 0.00 O ATOM 153 CB GLN A 10 6.700 9.679 -0.443 1.00 0.00 C ATOM 154 CG GLN A 10 7.847 8.999 0.308 1.00 0.00 C ATOM 155 CD GLN A 10 9.199 9.370 -0.305 1.00 0.00 C ATOM 156 OE1 GLN A 10 9.309 9.712 -1.471 1.00 0.00 O ATOM 157 NE2 GLN A 10 10.220 9.284 0.544 1.00 0.00 N ATOM 0 H GLN A 10 5.975 7.875 1.102 1.00 0.00 H new ATOM 0 HA GLN A 10 4.672 9.224 -0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.081 10.145 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.280 10.475 0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.826 9.295 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.715 7.917 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.059 8.991 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.164 9.511 0.231 1.00 0.00 H new ATOM 166 N ARG A 11 6.853 7.046 -2.071 1.00 0.00 N ATOM 167 CA ARG A 11 7.248 6.305 -3.257 1.00 0.00 C ATOM 168 C ARG A 11 6.046 5.559 -3.842 1.00 0.00 C ATOM 169 O ARG A 11 5.797 5.621 -5.045 1.00 0.00 O ATOM 170 CB ARG A 11 8.356 5.301 -2.936 1.00 0.00 C ATOM 171 CG ARG A 11 9.606 6.012 -2.413 1.00 0.00 C ATOM 172 CD ARG A 11 10.871 5.228 -2.766 1.00 0.00 C ATOM 173 NE ARG A 11 11.916 6.150 -3.264 1.00 0.00 N ATOM 174 CZ ARG A 11 13.055 5.748 -3.867 1.00 0.00 C ATOM 175 NH1 ARG A 11 13.305 4.434 -4.053 1.00 0.00 N ATOM 176 NH2 ARG A 11 13.920 6.658 -4.273 1.00 0.00 N ATOM 0 H ARG A 11 7.353 6.787 -1.220 1.00 0.00 H new ATOM 0 HA ARG A 11 7.624 7.023 -3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.001 4.588 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.605 4.731 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.664 7.014 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.536 6.129 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.234 4.694 -1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.644 4.478 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 11 11.766 7.152 -3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.631 3.737 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.168 4.139 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.723 7.649 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.785 6.371 -4.730 1.00 0.00 H new ATOM 189 N PHE A 12 5.333 4.870 -2.962 1.00 0.00 N ATOM 190 CA PHE A 12 4.164 4.113 -3.376 1.00 0.00 C ATOM 191 C PHE A 12 3.065 5.042 -3.894 1.00 0.00 C ATOM 192 O PHE A 12 2.372 4.713 -4.856 1.00 0.00 O ATOM 193 CB PHE A 12 3.650 3.374 -2.139 1.00 0.00 C ATOM 194 CG PHE A 12 2.982 2.032 -2.448 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.948 1.975 -3.330 1.00 0.00 C ATOM 196 CD2 PHE A 12 3.423 0.898 -1.842 1.00 0.00 C ATOM 197 CE1 PHE A 12 1.328 0.730 -3.617 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.803 -0.347 -2.129 1.00 0.00 C ATOM 199 CZ PHE A 12 1.769 -0.405 -3.011 1.00 0.00 C ATOM 0 H PHE A 12 5.543 4.820 -1.965 1.00 0.00 H new ATOM 0 HA PHE A 12 4.430 3.426 -4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.483 3.205 -1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.936 4.012 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.599 2.876 -3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.245 0.944 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.506 0.684 -4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.153 -1.248 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.298 -1.352 -3.230 1.00 0.00 H new ATOM 209 N GLN A 13 2.939 6.183 -3.234 1.00 0.00 N ATOM 210 CA GLN A 13 1.935 7.162 -3.617 1.00 0.00 C ATOM 211 C GLN A 13 2.223 7.697 -5.021 1.00 0.00 C ATOM 212 O GLN A 13 1.321 7.786 -5.852 1.00 0.00 O ATOM 213 CB GLN A 13 1.865 8.302 -2.599 1.00 0.00 C ATOM 214 CG GLN A 13 0.560 8.247 -1.802 1.00 0.00 C ATOM 215 CD GLN A 13 -0.369 9.399 -2.192 1.00 0.00 C ATOM 216 OE1 GLN A 13 -0.272 10.506 -1.689 1.00 0.00 O ATOM 217 NE2 GLN A 13 -1.272 9.077 -3.114 1.00 0.00 N ATOM 0 H GLN A 13 3.515 6.452 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 13 0.962 6.670 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.714 8.239 -1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.940 9.260 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.060 7.295 -1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.779 8.296 -0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.298 8.131 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.938 9.776 -3.441 1.00 0.00 H new ATOM 226 N ASP A 14 3.484 8.039 -5.242 1.00 0.00 N ATOM 227 CA ASP A 14 3.902 8.563 -6.531 1.00 0.00 C ATOM 228 C ASP A 14 3.597 7.532 -7.619 1.00 0.00 C ATOM 229 O ASP A 14 3.016 7.866 -8.650 1.00 0.00 O ATOM 230 CB ASP A 14 5.406 8.841 -6.551 1.00 0.00 C ATOM 231 CG ASP A 14 6.001 9.083 -7.939 1.00 0.00 C ATOM 232 OD1 ASP A 14 6.500 8.154 -8.592 1.00 0.00 O ATOM 233 OD2 ASP A 14 5.937 10.303 -8.354 1.00 0.00 O ATOM 0 H ASP A 14 4.230 7.963 -4.550 1.00 0.00 H new ATOM 0 HA ASP A 14 3.361 9.493 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.607 9.713 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.922 7.997 -6.093 1.00 0.00 H new ATOM 239 N ASP A 15 4.003 6.299 -7.352 1.00 0.00 N ATOM 240 CA ASP A 15 3.781 5.217 -8.295 1.00 0.00 C ATOM 241 C ASP A 15 2.280 5.075 -8.558 1.00 0.00 C ATOM 242 O ASP A 15 1.867 4.781 -9.678 1.00 0.00 O ATOM 243 CB ASP A 15 4.291 3.887 -7.738 1.00 0.00 C ATOM 244 CG ASP A 15 5.121 3.052 -8.715 1.00 0.00 C ATOM 245 OD1 ASP A 15 6.242 3.430 -9.086 1.00 0.00 O ATOM 246 OD2 ASP A 15 4.564 1.955 -9.104 1.00 0.00 O ATOM 0 H ASP A 15 4.485 6.026 -6.495 1.00 0.00 H new ATOM 0 HA ASP A 15 4.320 5.454 -9.212 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.894 4.089 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.436 3.295 -7.413 1.00 0.00 H new ATOM 252 N ILE A 16 1.505 5.292 -7.505 1.00 0.00 N ATOM 253 CA ILE A 16 0.059 5.192 -7.608 1.00 0.00 C ATOM 254 C ILE A 16 -0.456 6.270 -8.563 1.00 0.00 C ATOM 255 O ILE A 16 -1.291 5.995 -9.423 1.00 0.00 O ATOM 256 CB ILE A 16 -0.581 5.243 -6.219 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.365 3.929 -5.466 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.063 5.614 -6.312 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.622 4.106 -3.969 1.00 0.00 C ATOM 0 H ILE A 16 1.851 5.536 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.228 4.229 -8.031 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.088 6.027 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.031 3.164 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.655 3.578 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.494 5.643 -5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.164 6.593 -6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.587 4.870 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.461 3.157 -3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.062 4.854 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.650 4.433 -3.812 1.00 0.00 H new ATOM 271 N LEU A 17 0.063 7.475 -8.379 1.00 0.00 N ATOM 272 CA LEU A 17 -0.334 8.596 -9.214 1.00 0.00 C ATOM 273 C LEU A 17 -0.044 8.263 -10.679 1.00 0.00 C ATOM 274 O LEU A 17 -0.673 8.815 -11.580 1.00 0.00 O ATOM 275 CB LEU A 17 0.335 9.886 -8.732 1.00 0.00 C ATOM 276 CG LEU A 17 1.305 10.545 -9.715 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.556 11.421 -10.721 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.391 11.326 -8.972 1.00 0.00 C ATOM 0 H LEU A 17 0.755 7.700 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.407 8.771 -9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.445 10.606 -8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.874 9.670 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 17 1.804 9.759 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.269 11.877 -11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.148 10.808 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.013 12.203 -10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.067 11.785 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.928 12.103 -8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.952 10.647 -8.329 1.00 0.00 H new ATOM 290 N ALA A 18 0.908 7.363 -10.871 1.00 0.00 N ATOM 291 CA ALA A 18 1.288 6.950 -12.211 1.00 0.00 C ATOM 292 C ALA A 18 0.349 5.838 -12.683 1.00 0.00 C ATOM 293 O ALA A 18 0.572 5.236 -13.733 1.00 0.00 O ATOM 294 CB ALA A 18 2.755 6.514 -12.214 1.00 0.00 C ATOM 0 H ALA A 18 1.428 6.908 -10.121 1.00 0.00 H new ATOM 0 HA ALA A 18 1.193 7.781 -12.910 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.040 6.204 -13.219 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.383 7.348 -11.899 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.888 5.679 -11.526 1.00 0.00 H new ATOM 300 N GLY A 19 -0.682 5.600 -11.886 1.00 0.00 N ATOM 301 CA GLY A 19 -1.656 4.572 -12.209 1.00 0.00 C ATOM 302 C GLY A 19 -1.098 3.177 -11.919 1.00 0.00 C ATOM 303 O GLY A 19 -0.743 2.871 -10.782 1.00 0.00 O ATOM 0 H GLY A 19 -0.864 6.102 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.565 4.732 -11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.932 4.646 -13.261 1.00 0.00 H new ATOM 307 N ARG A 20 -1.039 2.368 -12.967 1.00 0.00 N ATOM 308 CA ARG A 20 -0.530 1.013 -12.840 1.00 0.00 C ATOM 309 C ARG A 20 -1.082 0.357 -11.572 1.00 0.00 C ATOM 310 O ARG A 20 -0.517 0.514 -10.491 1.00 0.00 O ATOM 311 CB ARG A 20 0.999 1.002 -12.787 1.00 0.00 C ATOM 312 CG ARG A 20 1.579 0.129 -13.902 1.00 0.00 C ATOM 313 CD ARG A 20 1.379 -1.356 -13.596 1.00 0.00 C ATOM 314 NE ARG A 20 2.302 -2.171 -14.418 1.00 0.00 N ATOM 315 CZ ARG A 20 2.361 -3.519 -14.378 1.00 0.00 C ATOM 316 NH1 ARG A 20 1.550 -4.217 -13.554 1.00 0.00 N ATOM 317 NH2 ARG A 20 3.224 -4.145 -15.156 1.00 0.00 N ATOM 0 H ARG A 20 -1.336 2.625 -13.908 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.856 0.452 -13.716 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.377 2.020 -12.883 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.330 0.629 -11.818 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.100 0.377 -14.849 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.642 0.340 -14.018 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.558 -1.545 -12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.347 -1.642 -13.801 1.00 0.00 H new ATOM 0 HE ARG A 20 2.933 -1.683 -15.054 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.886 -3.726 -12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.601 -5.235 -13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.833 -3.611 -15.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.282 -5.163 -15.138 1.00 0.00 H new ATOM 330 N LYS A 21 -2.179 -0.365 -11.748 1.00 0.00 N ATOM 331 CA LYS A 21 -2.813 -1.046 -10.632 1.00 0.00 C ATOM 332 C LYS A 21 -1.736 -1.662 -9.737 1.00 0.00 C ATOM 333 O LYS A 21 -0.672 -2.051 -10.218 1.00 0.00 O ATOM 334 CB LYS A 21 -3.844 -2.058 -11.138 1.00 0.00 C ATOM 335 CG LYS A 21 -3.158 -3.268 -11.774 1.00 0.00 C ATOM 336 CD LYS A 21 -3.553 -3.411 -13.246 1.00 0.00 C ATOM 337 CE LYS A 21 -2.871 -4.624 -13.881 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.879 -5.554 -14.437 1.00 0.00 N ATOM 0 H LYS A 21 -2.645 -0.493 -12.646 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.370 -0.337 -10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.474 -2.386 -10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.499 -1.582 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.076 -3.162 -11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.431 -4.173 -11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.635 -3.514 -13.328 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.277 -2.508 -13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.195 -4.296 -14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.265 -5.139 -13.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.399 -6.372 -14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.507 -5.881 -13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.440 -5.064 -15.163 1.00 0.00 H new ATOM 351 N THR A 22 -2.048 -1.731 -8.451 1.00 0.00 N ATOM 352 CA THR A 22 -1.120 -2.292 -7.485 1.00 0.00 C ATOM 353 C THR A 22 -1.882 -2.924 -6.318 1.00 0.00 C ATOM 354 O THR A 22 -3.020 -2.550 -6.041 1.00 0.00 O ATOM 355 CB THR A 22 -0.158 -1.183 -7.053 1.00 0.00 C ATOM 356 OG1 THR A 22 0.608 -0.913 -8.224 1.00 0.00 O ATOM 357 CG2 THR A 22 0.876 -1.668 -6.035 1.00 0.00 C ATOM 0 H THR A 22 -2.931 -1.407 -8.056 1.00 0.00 H new ATOM 0 HA THR A 22 -0.533 -3.099 -7.924 1.00 0.00 H new ATOM 0 HB THR A 22 -0.726 -0.356 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.408 -1.586 -8.908 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.533 -0.842 -5.762 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.366 -2.035 -5.144 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.467 -2.473 -6.472 1.00 0.00 H new ATOM 365 N ILE A 23 -1.223 -3.870 -5.666 1.00 0.00 N ATOM 366 CA ILE A 23 -1.824 -4.557 -4.535 1.00 0.00 C ATOM 367 C ILE A 23 -1.358 -3.897 -3.236 1.00 0.00 C ATOM 368 O ILE A 23 -0.302 -3.267 -3.200 1.00 0.00 O ATOM 369 CB ILE A 23 -1.532 -6.058 -4.603 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.852 -6.425 -5.923 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.803 -6.875 -4.365 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.665 -6.250 -5.827 1.00 0.00 C ATOM 0 H ILE A 23 -0.279 -4.177 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.910 -4.466 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.835 -6.307 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.087 -7.457 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.244 -5.798 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.568 -7.938 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.206 -6.642 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.542 -6.628 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.123 -6.518 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.897 -5.211 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.057 -6.896 -5.041 1.00 0.00 H new ATOM 384 N THR A 24 -2.167 -4.065 -2.201 1.00 0.00 N ATOM 385 CA THR A 24 -1.851 -3.493 -0.903 1.00 0.00 C ATOM 386 C THR A 24 -1.806 -4.587 0.165 1.00 0.00 C ATOM 387 O THR A 24 -2.133 -5.741 -0.109 1.00 0.00 O ATOM 388 CB THR A 24 -2.876 -2.397 -0.607 1.00 0.00 C ATOM 389 OG1 THR A 24 -4.074 -3.111 -0.316 1.00 0.00 O ATOM 390 CG2 THR A 24 -3.226 -1.571 -1.847 1.00 0.00 C ATOM 0 H THR A 24 -3.041 -4.589 -2.234 1.00 0.00 H new ATOM 0 HA THR A 24 -0.860 -3.040 -0.901 1.00 0.00 H new ATOM 0 HB THR A 24 -2.488 -1.738 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.264 -3.741 -1.042 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.957 -0.808 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.325 -1.093 -2.232 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.645 -2.224 -2.613 1.00 0.00 H new ATOM 398 N ILE A 25 -1.397 -4.187 1.360 1.00 0.00 N ATOM 399 CA ILE A 25 -1.304 -5.119 2.470 1.00 0.00 C ATOM 400 C ILE A 25 -1.873 -4.463 3.730 1.00 0.00 C ATOM 401 O ILE A 25 -1.494 -3.345 4.077 1.00 0.00 O ATOM 402 CB ILE A 25 0.133 -5.619 2.632 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.683 -6.144 1.305 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.228 -6.664 3.746 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.074 -4.991 0.379 1.00 0.00 C ATOM 0 H ILE A 25 -1.126 -3.229 1.584 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.905 -6.007 2.273 1.00 0.00 H new ATOM 0 HB ILE A 25 0.757 -4.776 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.551 -6.776 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.066 -6.768 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.260 -7.003 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.096 -6.222 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.412 -7.513 3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.462 -5.392 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.198 -4.375 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.841 -4.383 0.859 1.00 0.00 H new ATOM 417 N ARG A 26 -2.772 -5.186 4.381 1.00 0.00 N ATOM 418 CA ARG A 26 -3.396 -4.688 5.595 1.00 0.00 C ATOM 419 C ARG A 26 -3.339 -5.750 6.695 1.00 0.00 C ATOM 420 O ARG A 26 -2.952 -6.890 6.443 1.00 0.00 O ATOM 421 CB ARG A 26 -4.854 -4.300 5.345 1.00 0.00 C ATOM 422 CG ARG A 26 -5.142 -4.183 3.847 1.00 0.00 C ATOM 423 CD ARG A 26 -4.587 -2.873 3.283 1.00 0.00 C ATOM 424 NE ARG A 26 -5.369 -1.728 3.799 1.00 0.00 N ATOM 425 CZ ARG A 26 -5.019 -0.998 4.879 1.00 0.00 C ATOM 426 NH1 ARG A 26 -3.894 -1.289 5.568 1.00 0.00 N ATOM 427 NH2 ARG A 26 -5.792 0.004 5.253 1.00 0.00 N ATOM 0 H ARG A 26 -3.083 -6.113 4.091 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.846 -3.802 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.514 -5.046 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.071 -3.351 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.697 -5.027 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.217 -4.231 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.539 -2.763 3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.628 -2.890 2.194 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.226 -1.474 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.302 -2.065 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.637 -0.732 6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.640 0.217 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.541 0.565 6.067 1.00 0.00 H new ATOM 440 N ASP A 27 -3.732 -5.338 7.892 1.00 0.00 N ATOM 441 CA ASP A 27 -3.730 -6.240 9.031 1.00 0.00 C ATOM 442 C ASP A 27 -5.173 -6.587 9.403 1.00 0.00 C ATOM 443 O ASP A 27 -6.010 -5.698 9.556 1.00 0.00 O ATOM 444 CB ASP A 27 -3.072 -5.588 10.249 1.00 0.00 C ATOM 445 CG ASP A 27 -3.276 -6.332 11.570 1.00 0.00 C ATOM 446 OD1 ASP A 27 -2.890 -5.846 12.643 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.868 -7.474 11.467 1.00 0.00 O ATOM 0 H ASP A 27 -4.054 -4.392 8.097 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.170 -7.133 8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.002 -5.499 10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.462 -4.576 10.355 1.00 0.00 H new ATOM 453 N GLU A 28 -5.421 -7.881 9.538 1.00 0.00 N ATOM 454 CA GLU A 28 -6.749 -8.357 9.889 1.00 0.00 C ATOM 455 C GLU A 28 -7.284 -7.591 11.101 1.00 0.00 C ATOM 456 O GLU A 28 -8.441 -7.176 11.115 1.00 0.00 O ATOM 457 CB GLU A 28 -6.739 -9.864 10.153 1.00 0.00 C ATOM 458 CG GLU A 28 -7.951 -10.281 10.989 1.00 0.00 C ATOM 459 CD GLU A 28 -9.256 -9.989 10.247 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.452 -8.867 9.755 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.084 -10.976 10.190 1.00 0.00 O ATOM 0 H GLU A 28 -4.725 -8.615 9.411 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.415 -8.174 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.743 -10.403 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.822 -10.140 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.890 -11.345 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.942 -9.748 11.940 1.00 0.00 H new ATOM 469 N SER A 29 -6.415 -7.427 12.087 1.00 0.00 N ATOM 470 CA SER A 29 -6.785 -6.718 13.301 1.00 0.00 C ATOM 471 C SER A 29 -7.180 -5.278 12.966 1.00 0.00 C ATOM 472 O SER A 29 -7.780 -4.588 13.788 1.00 0.00 O ATOM 473 CB SER A 29 -5.643 -6.732 14.318 1.00 0.00 C ATOM 474 OG SER A 29 -5.871 -5.822 15.390 1.00 0.00 O ATOM 0 H SER A 29 -5.456 -7.773 12.071 1.00 0.00 H new ATOM 0 HA SER A 29 -7.638 -7.228 13.748 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.525 -7.740 14.717 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.709 -6.476 13.818 1.00 0.00 H new ATOM 0 HG SER A 29 -5.120 -5.862 16.018 1.00 0.00 H new ATOM 480 N GLU A 30 -6.827 -4.868 11.757 1.00 0.00 N ATOM 481 CA GLU A 30 -7.136 -3.522 11.303 1.00 0.00 C ATOM 482 C GLU A 30 -7.958 -3.573 10.014 1.00 0.00 C ATOM 483 O GLU A 30 -8.055 -2.579 9.295 1.00 0.00 O ATOM 484 CB GLU A 30 -5.859 -2.702 11.107 1.00 0.00 C ATOM 485 CG GLU A 30 -5.426 -2.041 12.417 1.00 0.00 C ATOM 486 CD GLU A 30 -3.917 -2.176 12.626 1.00 0.00 C ATOM 487 OE1 GLU A 30 -3.137 -1.424 12.023 1.00 0.00 O ATOM 488 OE2 GLU A 30 -3.561 -3.102 13.451 1.00 0.00 O ATOM 0 H GLU A 30 -6.330 -5.444 11.077 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.731 -3.028 12.071 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.061 -3.347 10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.026 -1.938 10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.702 -0.987 12.405 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.955 -2.500 13.252 1.00 0.00 H new ATOM 496 N SER A 31 -8.530 -4.741 9.760 1.00 0.00 N ATOM 497 CA SER A 31 -9.341 -4.934 8.569 1.00 0.00 C ATOM 498 C SER A 31 -10.162 -3.675 8.285 1.00 0.00 C ATOM 499 O SER A 31 -11.159 -3.415 8.957 1.00 0.00 O ATOM 500 CB SER A 31 -10.263 -6.146 8.722 1.00 0.00 C ATOM 501 OG SER A 31 -11.639 -5.779 8.670 1.00 0.00 O ATOM 0 H SER A 31 -8.448 -5.563 10.358 1.00 0.00 H new ATOM 0 HA SER A 31 -8.674 -5.122 7.728 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.050 -6.866 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.056 -6.642 9.670 1.00 0.00 H new ATOM 0 HG SER A 31 -11.806 -5.046 9.299 1.00 0.00 H new ATOM 507 N HIS A 32 -9.712 -2.926 7.289 1.00 0.00 N ATOM 508 CA HIS A 32 -10.392 -1.700 6.908 1.00 0.00 C ATOM 509 C HIS A 32 -11.527 -2.024 5.935 1.00 0.00 C ATOM 510 O HIS A 32 -12.251 -3.001 6.123 1.00 0.00 O ATOM 511 CB HIS A 32 -9.400 -0.681 6.343 1.00 0.00 C ATOM 512 CG HIS A 32 -8.826 -1.062 4.999 1.00 0.00 C ATOM 513 ND1 HIS A 32 -8.923 -2.341 4.478 1.00 0.00 N ATOM 514 CD2 HIS A 32 -8.150 -0.320 4.076 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.327 -2.356 3.295 1.00 0.00 C ATOM 516 NE2 HIS A 32 -7.849 -1.103 3.048 1.00 0.00 N ATOM 0 H HIS A 32 -8.885 -3.145 6.734 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.836 -1.238 7.790 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.898 0.284 6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.583 -0.553 7.053 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.376 -3.136 4.928 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.902 0.727 4.166 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.236 -3.211 2.641 1.00 0.00 H new ATOM 524 N PHE A 33 -11.648 -1.186 4.916 1.00 0.00 N ATOM 525 CA PHE A 33 -12.682 -1.372 3.913 1.00 0.00 C ATOM 526 C PHE A 33 -12.613 -2.775 3.306 1.00 0.00 C ATOM 527 O PHE A 33 -11.924 -3.648 3.830 1.00 0.00 O ATOM 528 CB PHE A 33 -12.428 -0.340 2.812 1.00 0.00 C ATOM 529 CG PHE A 33 -13.370 0.865 2.859 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.648 0.748 2.410 1.00 0.00 C ATOM 531 CD2 PHE A 33 -12.928 2.054 3.350 1.00 0.00 C ATOM 532 CE1 PHE A 33 -15.521 1.866 2.453 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.802 3.173 3.393 1.00 0.00 C ATOM 534 CZ PHE A 33 -15.080 3.055 2.944 1.00 0.00 C ATOM 0 H PHE A 33 -11.047 -0.376 4.764 1.00 0.00 H new ATOM 0 HA PHE A 33 -13.666 -1.250 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.400 0.013 2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.526 -0.827 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.999 -0.196 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.913 2.147 3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -16.536 1.773 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.451 4.117 3.782 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.745 3.905 2.977 1.00 0.00 H new ATOM 544 N LYS A 34 -13.338 -2.947 2.210 1.00 0.00 N ATOM 545 CA LYS A 34 -13.368 -4.229 1.527 1.00 0.00 C ATOM 546 C LYS A 34 -13.310 -3.998 0.016 1.00 0.00 C ATOM 547 O LYS A 34 -13.112 -2.871 -0.436 1.00 0.00 O ATOM 548 CB LYS A 34 -14.579 -5.049 1.978 1.00 0.00 C ATOM 549 CG LYS A 34 -14.311 -5.728 3.323 1.00 0.00 C ATOM 550 CD LYS A 34 -15.582 -5.778 4.174 1.00 0.00 C ATOM 551 CE LYS A 34 -15.418 -6.747 5.346 1.00 0.00 C ATOM 552 NZ LYS A 34 -16.004 -6.174 6.578 1.00 0.00 N ATOM 0 H LYS A 34 -13.909 -2.220 1.778 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.494 -4.823 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.451 -4.401 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.813 -5.803 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.940 -6.739 3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.531 -5.187 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.811 -4.781 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.425 -6.087 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.903 -7.695 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.361 -6.960 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.884 -6.845 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.523 -5.281 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.017 -5.993 6.429 1.00 0.00 H new ATOM 565 N THR A 35 -13.485 -5.083 -0.724 1.00 0.00 N ATOM 566 CA THR A 35 -13.455 -5.013 -2.175 1.00 0.00 C ATOM 567 C THR A 35 -14.715 -4.325 -2.701 1.00 0.00 C ATOM 568 O THR A 35 -15.707 -4.205 -1.984 1.00 0.00 O ATOM 569 CB THR A 35 -13.267 -6.433 -2.713 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.177 -6.951 -1.955 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.759 -6.450 -4.156 1.00 0.00 C ATOM 0 H THR A 35 -13.648 -6.016 -0.346 1.00 0.00 H new ATOM 0 HA THR A 35 -12.621 -4.405 -2.525 1.00 0.00 H new ATOM 0 HB THR A 35 -14.213 -6.971 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.989 -7.870 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.643 -7.481 -4.489 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.475 -5.939 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.797 -5.941 -4.209 1.00 0.00 H new ATOM 579 N GLY A 36 -14.636 -3.891 -3.951 1.00 0.00 N ATOM 580 CA GLY A 36 -15.758 -3.218 -4.582 1.00 0.00 C ATOM 581 C GLY A 36 -16.121 -1.936 -3.831 1.00 0.00 C ATOM 582 O GLY A 36 -17.189 -1.365 -4.050 1.00 0.00 O ATOM 0 H GLY A 36 -13.812 -3.993 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.509 -2.980 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.620 -3.885 -4.607 1.00 0.00 H new ATOM 586 N ASP A 37 -15.212 -1.519 -2.962 1.00 0.00 N ATOM 587 CA ASP A 37 -15.422 -0.314 -2.178 1.00 0.00 C ATOM 588 C ASP A 37 -14.373 0.730 -2.564 1.00 0.00 C ATOM 589 O ASP A 37 -13.646 0.554 -3.540 1.00 0.00 O ATOM 590 CB ASP A 37 -15.278 -0.599 -0.682 1.00 0.00 C ATOM 591 CG ASP A 37 -16.570 -0.469 0.128 1.00 0.00 C ATOM 592 OD1 ASP A 37 -16.935 -1.372 0.897 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.221 0.629 -0.056 1.00 0.00 O ATOM 0 H ASP A 37 -14.328 -1.995 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.430 0.049 -2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.888 -1.609 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.536 0.084 -0.267 1.00 0.00 H new ATOM 599 N VAL A 38 -14.329 1.796 -1.778 1.00 0.00 N ATOM 600 CA VAL A 38 -13.381 2.869 -2.025 1.00 0.00 C ATOM 601 C VAL A 38 -12.251 2.793 -0.996 1.00 0.00 C ATOM 602 O VAL A 38 -12.485 2.457 0.164 1.00 0.00 O ATOM 603 CB VAL A 38 -14.104 4.218 -2.021 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.343 5.245 -1.180 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.320 4.728 -3.447 1.00 0.00 C ATOM 0 H VAL A 38 -14.935 1.939 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.930 2.760 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.084 4.072 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.878 6.195 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.264 4.888 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.344 5.385 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.836 5.688 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.355 4.850 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.923 4.010 -4.003 1.00 0.00 H new ATOM 615 N LEU A 39 -11.051 3.111 -1.457 1.00 0.00 N ATOM 616 CA LEU A 39 -9.884 3.083 -0.591 1.00 0.00 C ATOM 617 C LEU A 39 -9.199 4.450 -0.622 1.00 0.00 C ATOM 618 O LEU A 39 -8.526 4.790 -1.594 1.00 0.00 O ATOM 619 CB LEU A 39 -8.961 1.924 -0.973 1.00 0.00 C ATOM 620 CG LEU A 39 -9.331 0.555 -0.398 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.625 -0.569 -1.160 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.046 0.496 1.104 1.00 0.00 C ATOM 0 H LEU A 39 -10.861 3.390 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.180 2.897 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.939 1.846 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.949 2.170 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.403 0.408 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.905 -1.531 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.921 -0.539 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.546 -0.438 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.318 -0.487 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.985 0.674 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.632 1.260 1.616 1.00 0.00 H new ATOM 634 N ARG A 40 -9.394 5.198 0.455 1.00 0.00 N ATOM 635 CA ARG A 40 -8.803 6.521 0.563 1.00 0.00 C ATOM 636 C ARG A 40 -7.276 6.424 0.540 1.00 0.00 C ATOM 637 O ARG A 40 -6.678 5.780 1.401 1.00 0.00 O ATOM 638 CB ARG A 40 -9.243 7.217 1.853 1.00 0.00 C ATOM 639 CG ARG A 40 -9.939 8.545 1.549 1.00 0.00 C ATOM 640 CD ARG A 40 -11.430 8.473 1.884 1.00 0.00 C ATOM 641 NE ARG A 40 -12.144 9.612 1.265 1.00 0.00 N ATOM 642 CZ ARG A 40 -13.484 9.775 1.301 1.00 0.00 C ATOM 643 NH1 ARG A 40 -14.267 8.872 1.929 1.00 0.00 N ATOM 644 NH2 ARG A 40 -14.016 10.831 0.714 1.00 0.00 N ATOM 0 H ARG A 40 -9.952 4.913 1.260 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.146 7.108 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.919 6.567 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.376 7.394 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.472 9.344 2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.811 8.794 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.847 7.533 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.569 8.490 2.965 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.589 10.318 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.847 8.060 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.278 9.002 1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.417 11.509 0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.026 10.969 0.732 1.00 0.00 H new ATOM 657 N VAL A 41 -6.689 7.074 -0.454 1.00 0.00 N ATOM 658 CA VAL A 41 -5.243 7.068 -0.600 1.00 0.00 C ATOM 659 C VAL A 41 -4.674 8.376 -0.045 1.00 0.00 C ATOM 660 O VAL A 41 -5.318 9.421 -0.125 1.00 0.00 O ATOM 661 CB VAL A 41 -4.866 6.826 -2.063 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.168 8.058 -2.919 1.00 0.00 C ATOM 663 CG2 VAL A 41 -3.397 6.417 -2.190 1.00 0.00 C ATOM 0 H VAL A 41 -7.188 7.608 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.804 6.252 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.477 6.003 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.891 7.859 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.233 8.286 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.596 8.908 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.155 6.251 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.763 7.209 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.225 5.499 -1.628 1.00 0.00 H new ATOM 673 N GLY A 42 -3.473 8.274 0.506 1.00 0.00 N ATOM 674 CA GLY A 42 -2.810 9.436 1.074 1.00 0.00 C ATOM 675 C GLY A 42 -1.375 9.101 1.484 1.00 0.00 C ATOM 676 O GLY A 42 -1.088 7.976 1.891 1.00 0.00 O ATOM 0 H GLY A 42 -2.942 7.405 0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.804 10.248 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.367 9.789 1.942 1.00 0.00 H new ATOM 680 N ARG A 43 -0.511 10.099 1.364 1.00 0.00 N ATOM 681 CA ARG A 43 0.888 9.924 1.717 1.00 0.00 C ATOM 682 C ARG A 43 1.059 9.958 3.237 1.00 0.00 C ATOM 683 O ARG A 43 0.491 10.816 3.911 1.00 0.00 O ATOM 684 CB ARG A 43 1.755 11.017 1.089 1.00 0.00 C ATOM 685 CG ARG A 43 2.814 10.413 0.164 1.00 0.00 C ATOM 686 CD ARG A 43 3.501 11.499 -0.666 1.00 0.00 C ATOM 687 NE ARG A 43 2.787 11.683 -1.949 1.00 0.00 N ATOM 688 CZ ARG A 43 3.158 12.563 -2.903 1.00 0.00 C ATOM 689 NH1 ARG A 43 4.242 13.349 -2.725 1.00 0.00 N ATOM 690 NH2 ARG A 43 2.447 12.644 -4.011 1.00 0.00 N ATOM 0 H ARG A 43 -0.753 11.031 1.027 1.00 0.00 H new ATOM 0 HA ARG A 43 1.209 8.956 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.126 11.707 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.241 11.597 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.557 9.878 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.349 9.683 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.516 12.437 -0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.539 11.223 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 43 1.962 11.109 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.786 13.280 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.516 14.012 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.630 12.047 -4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.714 13.304 -4.741 1.00 0.00 H new ATOM 813 N CYS A 51 -6.396 11.561 -1.877 1.00 0.00 N ATOM 814 CA CYS A 51 -7.308 11.215 -2.954 1.00 0.00 C ATOM 815 C CYS A 51 -8.045 9.931 -2.566 1.00 0.00 C ATOM 816 O CYS A 51 -7.746 9.328 -1.536 1.00 0.00 O ATOM 817 CB CYS A 51 -6.577 11.072 -4.291 1.00 0.00 C ATOM 818 SG CYS A 51 -5.272 12.347 -4.430 1.00 0.00 S ATOM 0 HA CYS A 51 -8.030 12.019 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.136 10.078 -4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.284 11.173 -5.114 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.006 12.826 -3.251 1.00 0.00 H new ATOM 824 N THR A 52 -8.992 9.552 -3.410 1.00 0.00 N ATOM 825 CA THR A 52 -9.774 8.352 -3.168 1.00 0.00 C ATOM 826 C THR A 52 -9.603 7.363 -4.323 1.00 0.00 C ATOM 827 O THR A 52 -9.520 7.765 -5.482 1.00 0.00 O ATOM 828 CB THR A 52 -11.227 8.771 -2.938 1.00 0.00 C ATOM 829 OG1 THR A 52 -11.124 10.028 -2.274 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.942 7.873 -1.926 1.00 0.00 C ATOM 0 H THR A 52 -9.236 10.055 -4.263 1.00 0.00 H new ATOM 0 HA THR A 52 -9.428 7.828 -2.277 1.00 0.00 H new ATOM 0 HB THR A 52 -11.765 8.750 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.022 10.374 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.970 8.214 -1.799 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.943 6.845 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.424 7.920 -0.968 1.00 0.00 H new ATOM 838 N ILE A 53 -9.556 6.088 -3.966 1.00 0.00 N ATOM 839 CA ILE A 53 -9.396 5.038 -4.958 1.00 0.00 C ATOM 840 C ILE A 53 -10.454 3.957 -4.725 1.00 0.00 C ATOM 841 O ILE A 53 -11.177 3.996 -3.731 1.00 0.00 O ATOM 842 CB ILE A 53 -7.962 4.506 -4.950 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.739 3.548 -3.778 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.951 5.655 -4.951 1.00 0.00 C ATOM 845 CD1 ILE A 53 -7.194 2.204 -4.265 1.00 0.00 C ATOM 0 H ILE A 53 -9.626 5.758 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.558 5.434 -5.961 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.804 3.937 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.041 3.992 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.678 3.393 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.939 5.249 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.093 6.264 -5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.100 6.271 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.044 1.542 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.906 1.752 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.243 2.360 -4.774 1.00 0.00 H new ATOM 857 N GLU A 54 -10.510 3.019 -5.658 1.00 0.00 N ATOM 858 CA GLU A 54 -11.467 1.929 -5.567 1.00 0.00 C ATOM 859 C GLU A 54 -10.746 0.582 -5.638 1.00 0.00 C ATOM 860 O GLU A 54 -9.774 0.432 -6.377 1.00 0.00 O ATOM 861 CB GLU A 54 -12.531 2.040 -6.662 1.00 0.00 C ATOM 862 CG GLU A 54 -13.866 2.513 -6.083 1.00 0.00 C ATOM 863 CD GLU A 54 -14.872 2.810 -7.197 1.00 0.00 C ATOM 864 OE1 GLU A 54 -14.586 3.623 -8.089 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.984 2.162 -7.115 1.00 0.00 O ATOM 0 H GLU A 54 -9.908 2.991 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.975 1.997 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.196 2.737 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.663 1.072 -7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.269 1.749 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.709 3.408 -5.482 1.00 0.00 H new ATOM 873 N VAL A 55 -11.251 -0.365 -4.861 1.00 0.00 N ATOM 874 CA VAL A 55 -10.667 -1.695 -4.826 1.00 0.00 C ATOM 875 C VAL A 55 -11.038 -2.444 -6.108 1.00 0.00 C ATOM 876 O VAL A 55 -11.989 -2.074 -6.794 1.00 0.00 O ATOM 877 CB VAL A 55 -11.107 -2.427 -3.557 1.00 0.00 C ATOM 878 CG1 VAL A 55 -9.991 -3.331 -3.030 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.564 -1.438 -2.484 1.00 0.00 C ATOM 0 H VAL A 55 -12.058 -0.238 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.579 -1.634 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.957 -3.059 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.330 -3.839 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.733 -4.071 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.113 -2.728 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.871 -1.985 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.742 -0.768 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.405 -0.856 -2.860 1.00 0.00 H new ATOM 889 N THR A 56 -10.267 -3.484 -6.392 1.00 0.00 N ATOM 890 CA THR A 56 -10.503 -4.287 -7.579 1.00 0.00 C ATOM 891 C THR A 56 -10.511 -5.775 -7.223 1.00 0.00 C ATOM 892 O THR A 56 -11.345 -6.532 -7.719 1.00 0.00 O ATOM 893 CB THR A 56 -9.444 -3.918 -8.619 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.893 -4.552 -9.813 1.00 0.00 O ATOM 895 CG2 THR A 56 -8.091 -4.573 -8.335 1.00 0.00 C ATOM 0 H THR A 56 -9.479 -3.788 -5.820 1.00 0.00 H new ATOM 0 HA THR A 56 -11.484 -4.081 -8.006 1.00 0.00 H new ATOM 0 HB THR A 56 -9.324 -2.835 -8.646 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.264 -4.363 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.376 -4.278 -9.103 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.729 -4.251 -7.359 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.203 -5.657 -8.341 1.00 0.00 H new ATOM 903 N ALA A 57 -9.573 -6.151 -6.366 1.00 0.00 N ATOM 904 CA ALA A 57 -9.462 -7.534 -5.937 1.00 0.00 C ATOM 905 C ALA A 57 -8.801 -7.585 -4.558 1.00 0.00 C ATOM 906 O ALA A 57 -8.281 -6.579 -4.078 1.00 0.00 O ATOM 907 CB ALA A 57 -8.685 -8.333 -6.985 1.00 0.00 C ATOM 0 H ALA A 57 -8.883 -5.521 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.449 -7.987 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.602 -9.371 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.211 -8.290 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.688 -7.908 -7.101 1.00 0.00 H new ATOM 913 N THR A 58 -8.843 -8.767 -3.960 1.00 0.00 N ATOM 914 CA THR A 58 -8.255 -8.961 -2.646 1.00 0.00 C ATOM 915 C THR A 58 -7.677 -10.373 -2.524 1.00 0.00 C ATOM 916 O THR A 58 -8.161 -11.303 -3.168 1.00 0.00 O ATOM 917 CB THR A 58 -9.325 -8.650 -1.598 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.321 -7.228 -1.508 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.924 -9.113 -0.195 1.00 0.00 C ATOM 0 H THR A 58 -9.275 -9.599 -4.361 1.00 0.00 H new ATOM 0 HA THR A 58 -7.416 -8.285 -2.485 1.00 0.00 H new ATOM 0 HB THR A 58 -10.262 -9.128 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.229 -6.889 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.718 -8.868 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.763 -10.191 -0.200 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.005 -8.610 0.105 1.00 0.00 H new ATOM 927 N SER A 59 -6.652 -10.488 -1.693 1.00 0.00 N ATOM 928 CA SER A 59 -6.003 -11.771 -1.479 1.00 0.00 C ATOM 929 C SER A 59 -5.280 -11.772 -0.130 1.00 0.00 C ATOM 930 O SER A 59 -5.138 -10.728 0.503 1.00 0.00 O ATOM 931 CB SER A 59 -5.021 -12.087 -2.608 1.00 0.00 C ATOM 932 OG SER A 59 -4.821 -10.970 -3.470 1.00 0.00 O ATOM 0 H SER A 59 -6.255 -9.715 -1.160 1.00 0.00 H new ATOM 0 HA SER A 59 -6.770 -12.546 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.065 -12.392 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.395 -12.930 -3.188 1.00 0.00 H new ATOM 0 HG SER A 59 -4.187 -11.212 -4.177 1.00 0.00 H new ATOM 938 N THR A 60 -4.841 -12.957 0.268 1.00 0.00 N ATOM 939 CA THR A 60 -4.136 -13.109 1.530 1.00 0.00 C ATOM 940 C THR A 60 -2.695 -13.562 1.284 1.00 0.00 C ATOM 941 O THR A 60 -2.457 -14.706 0.902 1.00 0.00 O ATOM 942 CB THR A 60 -4.936 -14.075 2.406 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.667 -14.865 1.472 1.00 0.00 O ATOM 944 CG2 THR A 60 -6.018 -13.365 3.222 1.00 0.00 C ATOM 0 H THR A 60 -4.960 -13.821 -0.261 1.00 0.00 H new ATOM 0 HA THR A 60 -4.059 -12.158 2.057 1.00 0.00 H new ATOM 0 HB THR A 60 -4.259 -14.600 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.213 -15.521 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.556 -14.095 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.555 -12.625 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.715 -12.868 2.547 1.00 0.00 H new ATOM 952 N VAL A 61 -1.771 -12.640 1.514 1.00 0.00 N ATOM 953 CA VAL A 61 -0.361 -12.930 1.323 1.00 0.00 C ATOM 954 C VAL A 61 0.473 -11.977 2.181 1.00 0.00 C ATOM 955 O VAL A 61 -0.064 -11.049 2.784 1.00 0.00 O ATOM 956 CB VAL A 61 -0.009 -12.858 -0.165 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.903 -14.019 -0.569 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.272 -12.827 -1.026 1.00 0.00 C ATOM 0 H VAL A 61 -1.972 -11.692 1.831 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.133 -13.945 1.649 1.00 0.00 H new ATOM 0 HB VAL A 61 0.535 -11.929 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.138 -13.945 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.825 -13.976 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.396 -14.964 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.994 -12.776 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.856 -13.730 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.869 -11.953 -0.766 1.00 0.00 H new ATOM 968 N THR A 62 1.771 -12.239 2.209 1.00 0.00 N ATOM 969 CA THR A 62 2.684 -11.415 2.984 1.00 0.00 C ATOM 970 C THR A 62 2.829 -10.033 2.345 1.00 0.00 C ATOM 971 O THR A 62 1.923 -9.566 1.656 1.00 0.00 O ATOM 972 CB THR A 62 4.010 -12.168 3.109 1.00 0.00 C ATOM 973 OG1 THR A 62 3.626 -13.539 3.170 1.00 0.00 O ATOM 974 CG2 THR A 62 4.704 -11.915 4.449 1.00 0.00 C ATOM 0 H THR A 62 2.213 -13.010 1.708 1.00 0.00 H new ATOM 0 HA THR A 62 2.299 -11.236 3.988 1.00 0.00 H new ATOM 0 HB THR A 62 4.673 -11.872 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.423 -14.105 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.640 -12.473 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.912 -10.850 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.055 -12.241 5.262 1.00 0.00 H new ATOM 982 N LEU A 63 3.974 -9.417 2.596 1.00 0.00 N ATOM 983 CA LEU A 63 4.249 -8.097 2.053 1.00 0.00 C ATOM 984 C LEU A 63 5.154 -8.233 0.827 1.00 0.00 C ATOM 985 O LEU A 63 4.705 -8.051 -0.303 1.00 0.00 O ATOM 986 CB LEU A 63 4.817 -7.179 3.138 1.00 0.00 C ATOM 987 CG LEU A 63 5.924 -7.776 4.010 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.246 -7.035 3.800 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.508 -7.802 5.482 1.00 0.00 C ATOM 0 H LEU A 63 4.723 -9.807 3.168 1.00 0.00 H new ATOM 0 HA LEU A 63 3.326 -7.623 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.204 -6.280 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.999 -6.867 3.787 1.00 0.00 H new ATOM 0 HG LEU A 63 6.082 -8.810 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.016 -7.479 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.544 -7.113 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.121 -5.985 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.312 -8.231 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.306 -6.786 5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.609 -8.408 5.595 1.00 0.00 H new ATOM 1001 N ASP A 64 6.413 -8.551 1.092 1.00 0.00 N ATOM 1002 CA ASP A 64 7.385 -8.713 0.025 1.00 0.00 C ATOM 1003 C ASP A 64 6.879 -9.766 -0.964 1.00 0.00 C ATOM 1004 O ASP A 64 7.431 -9.915 -2.053 1.00 0.00 O ATOM 1005 CB ASP A 64 8.732 -9.187 0.573 1.00 0.00 C ATOM 1006 CG ASP A 64 9.958 -8.617 -0.141 1.00 0.00 C ATOM 1007 OD1 ASP A 64 10.951 -8.237 0.498 1.00 0.00 O ATOM 1008 OD2 ASP A 64 9.867 -8.570 -1.427 1.00 0.00 O ATOM 0 H ASP A 64 6.782 -8.701 2.031 1.00 0.00 H new ATOM 0 HA ASP A 64 7.515 -7.747 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.790 -8.924 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.769 -10.275 0.513 1.00 0.00 H new ATOM 1014 N THR A 65 5.836 -10.469 -0.548 1.00 0.00 N ATOM 1015 CA THR A 65 5.250 -11.504 -1.383 1.00 0.00 C ATOM 1016 C THR A 65 4.575 -10.882 -2.607 1.00 0.00 C ATOM 1017 O THR A 65 4.154 -11.595 -3.517 1.00 0.00 O ATOM 1018 CB THR A 65 4.297 -12.328 -0.516 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.740 -11.377 0.387 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.035 -13.315 0.390 1.00 0.00 C ATOM 0 H THR A 65 5.382 -10.342 0.356 1.00 0.00 H new ATOM 0 HA THR A 65 6.014 -12.174 -1.778 1.00 0.00 H new ATOM 0 HB THR A 65 3.603 -12.873 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.047 -10.857 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.312 -13.874 0.984 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.615 -14.006 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.705 -12.769 1.054 1.00 0.00 H new ATOM 1028 N LEU A 66 4.492 -9.560 -2.590 1.00 0.00 N ATOM 1029 CA LEU A 66 3.875 -8.834 -3.687 1.00 0.00 C ATOM 1030 C LEU A 66 4.131 -7.336 -3.510 1.00 0.00 C ATOM 1031 O LEU A 66 4.397 -6.630 -4.482 1.00 0.00 O ATOM 1032 CB LEU A 66 2.392 -9.195 -3.801 1.00 0.00 C ATOM 1033 CG LEU A 66 1.566 -9.047 -2.522 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.741 -7.759 -2.548 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.693 -10.282 -2.287 1.00 0.00 C ATOM 0 H LEU A 66 4.842 -8.972 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 66 4.325 -9.124 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.944 -8.570 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.315 -10.227 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 66 2.253 -8.973 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.163 -7.678 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.408 -6.901 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.063 -7.778 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.116 -10.151 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.013 -10.412 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.327 -11.163 -2.193 1.00 0.00 H new ATOM 1047 N THR A 67 4.043 -6.896 -2.264 1.00 0.00 N ATOM 1048 CA THR A 67 4.263 -5.495 -1.947 1.00 0.00 C ATOM 1049 C THR A 67 5.458 -4.952 -2.733 1.00 0.00 C ATOM 1050 O THR A 67 6.356 -5.706 -3.105 1.00 0.00 O ATOM 1051 CB THR A 67 4.426 -5.373 -0.431 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.010 -4.041 -0.144 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.892 -5.407 0.004 1.00 0.00 C ATOM 0 H THR A 67 3.822 -7.485 -1.461 1.00 0.00 H new ATOM 0 HA THR A 67 3.412 -4.883 -2.247 1.00 0.00 H new ATOM 0 HB THR A 67 3.883 -6.181 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.082 -3.876 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.952 -5.317 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.342 -6.350 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.428 -4.579 -0.459 1.00 0.00 H new ATOM 1061 N GLU A 68 5.430 -3.647 -2.963 1.00 0.00 N ATOM 1062 CA GLU A 68 6.500 -2.994 -3.698 1.00 0.00 C ATOM 1063 C GLU A 68 7.861 -3.432 -3.155 1.00 0.00 C ATOM 1064 O GLU A 68 8.865 -3.370 -3.863 1.00 0.00 O ATOM 1065 CB GLU A 68 6.352 -1.472 -3.645 1.00 0.00 C ATOM 1066 CG GLU A 68 5.623 -0.948 -4.884 1.00 0.00 C ATOM 1067 CD GLU A 68 6.432 0.154 -5.571 1.00 0.00 C ATOM 1068 OE1 GLU A 68 7.671 0.097 -5.584 1.00 0.00 O ATOM 1069 OE2 GLU A 68 5.728 1.094 -6.105 1.00 0.00 O ATOM 0 H GLU A 68 4.683 -3.025 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 68 6.434 -3.296 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.802 -1.188 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.337 -1.010 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.451 -1.767 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.645 -0.562 -4.598 1.00 0.00 H new ATOM 1077 N LYS A 69 7.852 -3.866 -1.903 1.00 0.00 N ATOM 1078 CA LYS A 69 9.073 -4.314 -1.257 1.00 0.00 C ATOM 1079 C LYS A 69 9.799 -5.298 -2.175 1.00 0.00 C ATOM 1080 O LYS A 69 11.027 -5.382 -2.156 1.00 0.00 O ATOM 1081 CB LYS A 69 8.768 -4.879 0.132 1.00 0.00 C ATOM 1082 CG LYS A 69 10.056 -5.095 0.931 1.00 0.00 C ATOM 1083 CD LYS A 69 9.854 -6.148 2.022 1.00 0.00 C ATOM 1084 CE LYS A 69 11.172 -6.462 2.731 1.00 0.00 C ATOM 1085 NZ LYS A 69 10.990 -7.568 3.698 1.00 0.00 N ATOM 0 H LYS A 69 7.017 -3.917 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 69 9.748 -3.474 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.112 -4.195 0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.233 -5.824 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.856 -5.410 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.370 -4.154 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.123 -5.790 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.447 -7.059 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.931 -6.734 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.534 -5.574 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.892 -8.069 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.676 -7.182 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.274 -8.230 3.337 1.00 0.00 H new ATOM 1098 N HIS A 70 9.011 -6.020 -2.958 1.00 0.00 N ATOM 1099 CA HIS A 70 9.563 -6.996 -3.882 1.00 0.00 C ATOM 1100 C HIS A 70 10.291 -6.273 -5.017 1.00 0.00 C ATOM 1101 O HIS A 70 11.464 -6.536 -5.274 1.00 0.00 O ATOM 1102 CB HIS A 70 8.474 -7.945 -4.386 1.00 0.00 C ATOM 1103 CG HIS A 70 8.740 -8.512 -5.759 1.00 0.00 C ATOM 1104 ND1 HIS A 70 8.637 -7.757 -6.915 1.00 0.00 N ATOM 1105 CD2 HIS A 70 9.108 -9.766 -6.150 1.00 0.00 C ATOM 1106 CE1 HIS A 70 8.930 -8.533 -7.949 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.222 -9.777 -7.472 1.00 0.00 N ATOM 0 H HIS A 70 7.994 -5.948 -2.971 1.00 0.00 H new ATOM 0 HA HIS A 70 10.294 -7.618 -3.365 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.368 -8.768 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.522 -7.414 -4.402 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.278 -10.607 -5.495 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.936 -8.233 -8.986 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.485 -10.583 -8.039 1.00 0.00 H new ATOM 1115 N ALA A 71 9.563 -5.375 -5.666 1.00 0.00 N ATOM 1116 CA ALA A 71 10.125 -4.612 -6.768 1.00 0.00 C ATOM 1117 C ALA A 71 11.374 -3.872 -6.286 1.00 0.00 C ATOM 1118 O ALA A 71 12.342 -3.729 -7.032 1.00 0.00 O ATOM 1119 CB ALA A 71 9.063 -3.662 -7.325 1.00 0.00 C ATOM 0 H ALA A 71 8.590 -5.159 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 71 10.427 -5.275 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.484 -3.090 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.209 -4.239 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.738 -2.980 -6.540 1.00 0.00 H new ATOM 1125 N GLU A 72 11.312 -3.421 -5.042 1.00 0.00 N ATOM 1126 CA GLU A 72 12.427 -2.700 -4.451 1.00 0.00 C ATOM 1127 C GLU A 72 13.581 -3.658 -4.151 1.00 0.00 C ATOM 1128 O GLU A 72 14.737 -3.354 -4.442 1.00 0.00 O ATOM 1129 CB GLU A 72 11.990 -1.955 -3.188 1.00 0.00 C ATOM 1130 CG GLU A 72 12.550 -0.531 -3.169 1.00 0.00 C ATOM 1131 CD GLU A 72 11.599 0.423 -2.444 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.490 0.021 -2.063 1.00 0.00 O ATOM 1133 OE2 GLU A 72 12.049 1.621 -2.281 1.00 0.00 O ATOM 0 H GLU A 72 10.507 -3.541 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 72 12.775 -1.958 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.902 -1.922 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.332 -2.496 -2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.522 -0.525 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.709 -0.185 -4.190 1.00 0.00 H new ATOM 1141 N GLN A 73 13.227 -4.797 -3.573 1.00 0.00 N ATOM 1142 CA GLN A 73 14.219 -5.801 -3.230 1.00 0.00 C ATOM 1143 C GLN A 73 15.116 -6.095 -4.435 1.00 0.00 C ATOM 1144 O GLN A 73 16.314 -6.325 -4.279 1.00 0.00 O ATOM 1145 CB GLN A 73 13.551 -7.080 -2.720 1.00 0.00 C ATOM 1146 CG GLN A 73 14.120 -7.491 -1.361 1.00 0.00 C ATOM 1147 CD GLN A 73 14.718 -8.898 -1.419 1.00 0.00 C ATOM 1148 OE1 GLN A 73 14.170 -9.856 -0.898 1.00 0.00 O ATOM 1149 NE2 GLN A 73 15.869 -8.969 -2.081 1.00 0.00 N ATOM 0 H GLN A 73 12.267 -5.046 -3.334 1.00 0.00 H new ATOM 0 HA GLN A 73 14.841 -5.409 -2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.475 -6.924 -2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.701 -7.885 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.886 -6.779 -1.053 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.333 -7.458 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 73 16.273 -8.128 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 73 16.348 -9.865 -2.177 1.00 0.00 H new ATOM 1158 N GLU A 74 14.501 -6.076 -5.608 1.00 0.00 N ATOM 1159 CA GLU A 74 15.229 -6.337 -6.839 1.00 0.00 C ATOM 1160 C GLU A 74 15.607 -5.021 -7.521 1.00 0.00 C ATOM 1161 O GLU A 74 15.748 -4.968 -8.742 1.00 0.00 O ATOM 1162 CB GLU A 74 14.414 -7.228 -7.779 1.00 0.00 C ATOM 1163 CG GLU A 74 15.068 -8.602 -7.935 1.00 0.00 C ATOM 1164 CD GLU A 74 16.107 -8.591 -9.057 1.00 0.00 C ATOM 1165 OE1 GLU A 74 15.743 -8.667 -10.240 1.00 0.00 O ATOM 1166 OE2 GLU A 74 17.333 -8.498 -8.665 1.00 0.00 O ATOM 0 H GLU A 74 13.507 -5.884 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 74 16.146 -6.871 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.403 -7.345 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.327 -6.750 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.543 -8.891 -6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.304 -9.350 -8.149 1.00 0.00 H new ATOM 1174 N ASN A 75 15.761 -3.990 -6.703 1.00 0.00 N ATOM 1175 CA ASN A 75 16.120 -2.677 -7.212 1.00 0.00 C ATOM 1176 C ASN A 75 16.984 -1.953 -6.178 1.00 0.00 C ATOM 1177 O ASN A 75 18.138 -1.624 -6.448 1.00 0.00 O ATOM 1178 CB ASN A 75 14.875 -1.826 -7.468 1.00 0.00 C ATOM 1179 CG ASN A 75 14.658 -1.609 -8.967 1.00 0.00 C ATOM 1180 OD1 ASN A 75 14.649 -2.536 -9.760 1.00 0.00 O ATOM 1181 ND2 ASN A 75 14.484 -0.335 -9.309 1.00 0.00 N ATOM 0 H ASN A 75 15.644 -4.037 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 75 16.661 -2.815 -8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.001 -2.315 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.980 -0.863 -6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.331 -0.086 -10.286 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.503 0.392 -8.594 1.00 0.00 H new ATOM 1188 N MET A 76 16.392 -1.725 -5.014 1.00 0.00 N ATOM 1189 CA MET A 76 17.093 -1.045 -3.938 1.00 0.00 C ATOM 1190 C MET A 76 17.821 -2.047 -3.039 1.00 0.00 C ATOM 1191 O MET A 76 17.725 -3.256 -3.246 1.00 0.00 O ATOM 1192 CB MET A 76 16.092 -0.243 -3.104 1.00 0.00 C ATOM 1193 CG MET A 76 15.205 0.626 -3.997 1.00 0.00 C ATOM 1194 SD MET A 76 16.208 1.796 -4.899 1.00 0.00 S ATOM 1195 CE MET A 76 15.297 1.867 -6.433 1.00 0.00 C ATOM 0 H MET A 76 15.435 -1.999 -4.793 1.00 0.00 H new ATOM 0 HA MET A 76 17.833 -0.375 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.471 -0.924 -2.521 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.628 0.387 -2.394 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.649 -0.002 -4.693 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.471 1.156 -3.390 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.851 1.341 -7.210 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.323 1.396 -6.300 1.00 0.00 H new ATOM 0 HE3 MET A 76 15.160 2.908 -6.727 1.00 0.00 H new ATOM 1205 N THR A 77 18.533 -1.507 -2.061 1.00 0.00 N ATOM 1206 CA THR A 77 19.276 -2.338 -1.130 1.00 0.00 C ATOM 1207 C THR A 77 18.404 -2.705 0.072 1.00 0.00 C ATOM 1208 O THR A 77 17.220 -2.373 0.108 1.00 0.00 O ATOM 1209 CB THR A 77 20.556 -1.591 -0.747 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.195 -2.455 0.188 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.273 -0.318 0.054 1.00 0.00 C ATOM 0 H THR A 77 18.611 -0.504 -1.893 1.00 0.00 H new ATOM 0 HA THR A 77 19.560 -3.286 -1.587 1.00 0.00 H new ATOM 0 HB THR A 77 21.112 -1.336 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 77 22.035 -2.049 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.214 0.174 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.656 0.356 -0.540 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.747 -0.576 0.973 1.00 0.00 H new ATOM 1219 N LEU A 78 19.023 -3.384 1.027 1.00 0.00 N ATOM 1220 CA LEU A 78 18.317 -3.799 2.227 1.00 0.00 C ATOM 1221 C LEU A 78 17.930 -2.561 3.040 1.00 0.00 C ATOM 1222 O LEU A 78 16.843 -2.505 3.613 1.00 0.00 O ATOM 1223 CB LEU A 78 19.149 -4.815 3.013 1.00 0.00 C ATOM 1224 CG LEU A 78 18.793 -6.286 2.792 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.282 -6.770 1.425 1.00 0.00 C ATOM 1226 CD2 LEU A 78 19.326 -7.157 3.932 1.00 0.00 C ATOM 0 H LEU A 78 20.005 -3.657 0.994 1.00 0.00 H new ATOM 0 HA LEU A 78 17.391 -4.312 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.198 -4.673 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 78 19.049 -4.593 4.075 1.00 0.00 H new ATOM 0 HG LEU A 78 17.707 -6.378 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.016 -7.819 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 78 18.814 -6.176 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.365 -6.660 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.059 -8.198 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.411 -7.064 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.888 -6.830 4.875 1.00 0.00 H new ATOM 1238 N THR A 79 18.842 -1.600 3.064 1.00 0.00 N ATOM 1239 CA THR A 79 18.609 -0.367 3.797 1.00 0.00 C ATOM 1240 C THR A 79 17.318 0.302 3.320 1.00 0.00 C ATOM 1241 O THR A 79 16.444 0.616 4.126 1.00 0.00 O ATOM 1242 CB THR A 79 19.847 0.519 3.637 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.875 -0.195 4.319 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.730 1.834 4.410 1.00 0.00 C ATOM 0 H THR A 79 19.743 -1.650 2.588 1.00 0.00 H new ATOM 0 HA THR A 79 18.464 -0.560 4.860 1.00 0.00 H new ATOM 0 HB THR A 79 20.006 0.733 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.714 0.308 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.634 2.424 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.868 2.394 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.604 1.622 5.472 1.00 0.00 H new ATOM 1252 N GLU A 80 17.240 0.500 2.013 1.00 0.00 N ATOM 1253 CA GLU A 80 16.070 1.125 1.419 1.00 0.00 C ATOM 1254 C GLU A 80 14.816 0.306 1.730 1.00 0.00 C ATOM 1255 O GLU A 80 13.776 0.865 2.078 1.00 0.00 O ATOM 1256 CB GLU A 80 16.250 1.303 -0.090 1.00 0.00 C ATOM 1257 CG GLU A 80 16.464 2.775 -0.447 1.00 0.00 C ATOM 1258 CD GLU A 80 16.468 2.976 -1.964 1.00 0.00 C ATOM 1259 OE1 GLU A 80 15.398 3.123 -2.573 1.00 0.00 O ATOM 1260 OE2 GLU A 80 17.636 2.977 -2.510 1.00 0.00 O ATOM 0 H GLU A 80 17.968 0.239 1.348 1.00 0.00 H new ATOM 0 HA GLU A 80 15.950 2.116 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.103 0.715 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.372 0.922 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.676 3.380 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.409 3.121 -0.028 1.00 0.00 H new ATOM 1268 N LEU A 81 14.954 -1.004 1.592 1.00 0.00 N ATOM 1269 CA LEU A 81 13.844 -1.905 1.854 1.00 0.00 C ATOM 1270 C LEU A 81 13.375 -1.724 3.298 1.00 0.00 C ATOM 1271 O LEU A 81 12.177 -1.765 3.576 1.00 0.00 O ATOM 1272 CB LEU A 81 14.231 -3.345 1.509 1.00 0.00 C ATOM 1273 CG LEU A 81 14.208 -3.708 0.023 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.971 -4.543 -0.318 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.312 -2.456 -0.849 1.00 0.00 C ATOM 0 H LEU A 81 15.817 -1.464 1.302 1.00 0.00 H new ATOM 0 HA LEU A 81 12.997 -1.663 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.234 -3.533 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.556 -4.018 2.038 1.00 0.00 H new ATOM 0 HG LEU A 81 15.082 -4.323 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.979 -4.788 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.981 -5.463 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.072 -3.974 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.293 -2.742 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.471 -1.795 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.245 -1.937 -0.631 1.00 0.00 H new ATOM 1287 N LYS A 82 14.343 -1.526 4.181 1.00 0.00 N ATOM 1288 CA LYS A 82 14.044 -1.337 5.590 1.00 0.00 C ATOM 1289 C LYS A 82 13.423 0.046 5.795 1.00 0.00 C ATOM 1290 O LYS A 82 12.628 0.244 6.713 1.00 0.00 O ATOM 1291 CB LYS A 82 15.292 -1.583 6.441 1.00 0.00 C ATOM 1292 CG LYS A 82 14.957 -2.418 7.678 1.00 0.00 C ATOM 1293 CD LYS A 82 15.325 -3.887 7.465 1.00 0.00 C ATOM 1294 CE LYS A 82 15.092 -4.701 8.739 1.00 0.00 C ATOM 1295 NZ LYS A 82 14.722 -6.095 8.404 1.00 0.00 N ATOM 0 H LYS A 82 15.335 -1.492 3.948 1.00 0.00 H new ATOM 0 HA LYS A 82 13.309 -2.069 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.047 -2.096 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.721 -0.629 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.495 -2.026 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.893 -2.335 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.729 -4.300 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.370 -3.964 7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.994 -4.695 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.301 -4.241 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.568 -6.633 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.849 -6.096 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.489 -6.536 7.858 1.00 0.00 H new ATOM 1308 N LYS A 83 13.809 0.967 4.925 1.00 0.00 N ATOM 1309 CA LYS A 83 13.300 2.326 4.999 1.00 0.00 C ATOM 1310 C LYS A 83 11.811 2.329 4.645 1.00 0.00 C ATOM 1311 O LYS A 83 10.990 2.845 5.401 1.00 0.00 O ATOM 1312 CB LYS A 83 14.141 3.262 4.128 1.00 0.00 C ATOM 1313 CG LYS A 83 14.595 4.489 4.921 1.00 0.00 C ATOM 1314 CD LYS A 83 15.230 5.532 4.000 1.00 0.00 C ATOM 1315 CE LYS A 83 16.585 5.991 4.544 1.00 0.00 C ATOM 1316 NZ LYS A 83 16.468 7.331 5.161 1.00 0.00 N ATOM 0 H LYS A 83 14.468 0.799 4.165 1.00 0.00 H new ATOM 0 HA LYS A 83 13.387 2.710 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.012 2.727 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.560 3.579 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.742 4.927 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.312 4.188 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.358 5.112 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.564 6.389 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.949 5.275 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.317 6.018 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.396 7.628 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.141 8.014 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.785 7.294 5.944 1.00 0.00 H new ATOM 1329 N VAL A 84 11.509 1.746 3.494 1.00 0.00 N ATOM 1330 CA VAL A 84 10.134 1.675 3.030 1.00 0.00 C ATOM 1331 C VAL A 84 9.313 0.834 4.010 1.00 0.00 C ATOM 1332 O VAL A 84 8.195 1.204 4.366 1.00 0.00 O ATOM 1333 CB VAL A 84 10.091 1.136 1.599 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.066 1.897 0.697 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.378 -0.367 1.570 1.00 0.00 C ATOM 0 H VAL A 84 12.193 1.319 2.869 1.00 0.00 H new ATOM 0 HA VAL A 84 9.689 2.670 3.002 1.00 0.00 H new ATOM 0 HB VAL A 84 9.084 1.293 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.016 1.494 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.798 2.953 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.080 1.786 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.341 -0.725 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.368 -0.556 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.629 -0.892 2.163 1.00 0.00 H new ATOM 1345 N ILE A 85 9.899 -0.282 4.417 1.00 0.00 N ATOM 1346 CA ILE A 85 9.235 -1.179 5.349 1.00 0.00 C ATOM 1347 C ILE A 85 8.886 -0.412 6.626 1.00 0.00 C ATOM 1348 O ILE A 85 7.810 -0.599 7.192 1.00 0.00 O ATOM 1349 CB ILE A 85 10.089 -2.425 5.593 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.982 -3.401 4.420 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.725 -3.086 6.924 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.770 -4.320 4.579 1.00 0.00 C ATOM 0 H ILE A 85 10.826 -0.586 4.119 1.00 0.00 H new ATOM 0 HA ILE A 85 8.297 -1.541 4.928 1.00 0.00 H new ATOM 0 HB ILE A 85 11.132 -2.117 5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.901 -2.845 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.891 -4.000 4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.346 -3.969 7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.894 -2.381 7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.675 -3.379 6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.718 -5.003 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.866 -4.893 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.861 -3.720 4.617 1.00 0.00 H new ATOM 1364 N ALA A 86 9.816 0.434 7.044 1.00 0.00 N ATOM 1365 CA ALA A 86 9.620 1.229 8.244 1.00 0.00 C ATOM 1366 C ALA A 86 8.605 2.337 7.956 1.00 0.00 C ATOM 1367 O ALA A 86 7.932 2.818 8.866 1.00 0.00 O ATOM 1368 CB ALA A 86 10.967 1.780 8.717 1.00 0.00 C ATOM 0 H ALA A 86 10.708 0.586 6.573 1.00 0.00 H new ATOM 0 HA ALA A 86 9.218 0.615 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.820 2.377 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.642 0.953 8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.400 2.404 7.935 1.00 0.00 H new ATOM 1374 N ASP A 87 8.527 2.709 6.687 1.00 0.00 N ATOM 1375 CA ASP A 87 7.605 3.751 6.268 1.00 0.00 C ATOM 1376 C ASP A 87 6.203 3.157 6.121 1.00 0.00 C ATOM 1377 O ASP A 87 5.207 3.860 6.286 1.00 0.00 O ATOM 1378 CB ASP A 87 8.015 4.338 4.916 1.00 0.00 C ATOM 1379 CG ASP A 87 8.152 5.861 4.886 1.00 0.00 C ATOM 1380 OD1 ASP A 87 7.152 6.593 4.928 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.364 6.298 4.816 1.00 0.00 O ATOM 0 H ASP A 87 9.087 2.307 5.935 1.00 0.00 H new ATOM 0 HA ASP A 87 7.620 4.538 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.967 3.897 4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.279 4.040 4.169 1.00 0.00 H new ATOM 1387 N ILE A 88 6.171 1.869 5.813 1.00 0.00 N ATOM 1388 CA ILE A 88 4.907 1.172 5.642 1.00 0.00 C ATOM 1389 C ILE A 88 4.437 0.638 6.996 1.00 0.00 C ATOM 1390 O ILE A 88 3.341 0.964 7.449 1.00 0.00 O ATOM 1391 CB ILE A 88 5.032 0.093 4.564 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.748 -0.008 3.738 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.426 -1.252 5.178 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.055 -0.407 2.294 1.00 0.00 C ATOM 0 H ILE A 88 7.000 1.290 5.677 1.00 0.00 H new ATOM 0 HA ILE A 88 4.138 1.858 5.286 1.00 0.00 H new ATOM 0 HB ILE A 88 5.832 0.382 3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.079 -0.742 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.226 0.949 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.508 -2.001 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.385 -1.153 5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.666 -1.561 5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.125 -0.472 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.704 0.341 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.555 -1.376 2.283 1.00 0.00 H new ATOM 1406 N TYR A 89 5.289 -0.174 7.604 1.00 0.00 N ATOM 1407 CA TYR A 89 4.975 -0.757 8.897 1.00 0.00 C ATOM 1408 C TYR A 89 5.872 -1.962 9.188 1.00 0.00 C ATOM 1409 O TYR A 89 6.315 -2.647 8.268 1.00 0.00 O ATOM 1410 CB TYR A 89 3.522 -1.229 8.805 1.00 0.00 C ATOM 1411 CG TYR A 89 3.229 -2.107 7.587 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.778 -3.370 7.498 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.415 -1.636 6.576 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.502 -4.196 6.352 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.139 -2.462 5.430 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.696 -3.702 5.374 1.00 0.00 C ATOM 1417 OH TYR A 89 2.436 -4.482 4.291 1.00 0.00 O ATOM 0 H TYR A 89 6.197 -0.442 7.225 1.00 0.00 H new ATOM 0 HA TYR A 89 5.129 -0.029 9.694 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.273 -1.785 9.709 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.869 -0.357 8.777 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.415 -3.739 8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.985 -0.648 6.645 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.926 -5.186 6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.504 -2.105 4.632 1.00 0.00 H new ATOM 0 HH TYR A 89 2.645 -3.985 3.472 1.00 0.00 H new ATOM 1427 N PRO A 90 6.119 -2.189 10.506 1.00 0.00 N ATOM 1428 CA PRO A 90 6.956 -3.298 10.931 1.00 0.00 C ATOM 1429 C PRO A 90 6.208 -4.627 10.807 1.00 0.00 C ATOM 1430 O PRO A 90 5.009 -4.646 10.533 1.00 0.00 O ATOM 1431 CB PRO A 90 7.350 -2.970 12.361 1.00 0.00 C ATOM 1432 CG PRO A 90 6.349 -1.930 12.841 1.00 0.00 C ATOM 1433 CD PRO A 90 5.611 -1.398 11.623 1.00 0.00 C ATOM 0 HA PRO A 90 7.841 -3.420 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.319 -3.861 12.989 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.368 -2.583 12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.648 -2.373 13.549 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.860 -1.120 13.362 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.533 -1.514 11.732 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.804 -0.335 11.476 1.00 0.00 H new ATOM 1441 N GLY A 91 6.947 -5.707 11.013 1.00 0.00 N ATOM 1442 CA GLY A 91 6.369 -7.038 10.928 1.00 0.00 C ATOM 1443 C GLY A 91 6.449 -7.580 9.500 1.00 0.00 C ATOM 1444 O GLY A 91 5.894 -6.987 8.575 1.00 0.00 O ATOM 0 H GLY A 91 7.942 -5.688 11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.894 -7.711 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.329 -7.008 11.252 1.00 0.00 H new ATOM 1448 N GLN A 92 7.143 -8.700 9.364 1.00 0.00 N ATOM 1449 CA GLN A 92 7.302 -9.328 8.063 1.00 0.00 C ATOM 1450 C GLN A 92 6.632 -10.704 8.053 1.00 0.00 C ATOM 1451 O GLN A 92 7.261 -11.702 7.706 1.00 0.00 O ATOM 1452 CB GLN A 92 8.781 -9.437 7.684 1.00 0.00 C ATOM 1453 CG GLN A 92 8.965 -9.361 6.167 1.00 0.00 C ATOM 1454 CD GLN A 92 9.382 -10.718 5.597 1.00 0.00 C ATOM 1455 OE1 GLN A 92 8.565 -11.582 5.323 1.00 0.00 O ATOM 1456 NE2 GLN A 92 10.694 -10.857 5.435 1.00 0.00 N ATOM 0 H GLN A 92 7.602 -9.189 10.133 1.00 0.00 H new ATOM 0 HA GLN A 92 6.814 -8.701 7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.343 -8.635 8.163 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.187 -10.377 8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.035 -9.037 5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.721 -8.613 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.322 -10.093 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.072 -11.727 5.061 1.00 0.00 H new ATOM 1465 N THR A 93 5.363 -10.711 8.437 1.00 0.00 N ATOM 1466 CA THR A 93 4.601 -11.947 8.475 1.00 0.00 C ATOM 1467 C THR A 93 3.360 -11.837 7.587 1.00 0.00 C ATOM 1468 O THR A 93 2.842 -10.742 7.371 1.00 0.00 O ATOM 1469 CB THR A 93 4.275 -12.256 9.938 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.371 -11.221 10.318 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.478 -12.057 10.861 1.00 0.00 C ATOM 0 H THR A 93 4.845 -9.881 8.724 1.00 0.00 H new ATOM 0 HA THR A 93 5.178 -12.779 8.072 1.00 0.00 H new ATOM 0 HB THR A 93 3.920 -13.283 10.021 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.106 -11.345 11.253 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.192 -12.290 11.887 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.288 -12.718 10.551 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.813 -11.021 10.804 1.00 0.00 H new ATOM 1479 N GLN A 94 2.920 -12.985 7.094 1.00 0.00 N ATOM 1480 CA GLN A 94 1.750 -13.031 6.234 1.00 0.00 C ATOM 1481 C GLN A 94 0.700 -12.027 6.712 1.00 0.00 C ATOM 1482 O GLN A 94 0.613 -11.734 7.903 1.00 0.00 O ATOM 1483 CB GLN A 94 1.169 -14.445 6.174 1.00 0.00 C ATOM 1484 CG GLN A 94 2.008 -15.345 5.263 1.00 0.00 C ATOM 1485 CD GLN A 94 2.211 -16.725 5.892 1.00 0.00 C ATOM 1486 OE1 GLN A 94 1.928 -16.952 7.057 1.00 0.00 O ATOM 1487 NE2 GLN A 94 2.717 -17.630 5.059 1.00 0.00 N ATOM 0 H GLN A 94 3.353 -13.891 7.274 1.00 0.00 H new ATOM 0 HA GLN A 94 2.055 -12.755 5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.133 -14.870 7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.143 -14.405 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.515 -15.451 4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.976 -14.880 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.931 -17.373 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.891 -18.581 5.384 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.071 -11.527 5.757 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.112 -10.561 6.066 1.00 0.00 C ATOM 1498 C PHE A 95 -2.138 -10.480 4.934 1.00 0.00 C ATOM 1499 O PHE A 95 -2.034 -11.203 3.944 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.430 -9.200 6.218 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.165 -8.796 7.670 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.114 -9.012 8.620 1.00 0.00 C ATOM 1503 CD2 PHE A 95 1.019 -8.220 8.010 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -0.869 -8.636 9.967 1.00 0.00 C ATOM 1505 CE2 PHE A 95 1.265 -7.844 9.357 1.00 0.00 C ATOM 1506 CZ PHE A 95 0.316 -8.060 10.307 1.00 0.00 C ATOM 0 H PHE A 95 0.004 -11.772 4.770 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.636 -10.857 6.975 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.517 -9.217 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.052 -8.439 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.054 -9.470 8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.772 -8.048 7.255 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.623 -8.807 10.721 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.205 -7.387 9.627 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.503 -7.774 11.332 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.106 -9.594 5.117 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.150 -9.409 4.123 1.00 0.00 C ATOM 1518 C TYR A 96 -3.708 -8.422 3.041 1.00 0.00 C ATOM 1519 O TYR A 96 -3.192 -7.348 3.349 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.348 -8.823 4.874 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.578 -9.732 4.888 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -7.411 -9.783 3.789 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -6.856 -10.500 6.001 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.569 -10.639 3.803 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.014 -11.355 6.014 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.814 -11.383 4.915 1.00 0.00 C ATOM 1527 OH TYR A 96 -9.908 -12.190 4.928 1.00 0.00 O ATOM 0 H TYR A 96 -3.189 -8.996 5.939 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.386 -10.354 3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.052 -8.613 5.902 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.618 -7.870 4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.195 -9.181 2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.205 -10.459 6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.228 -10.689 2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.242 -11.961 6.878 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.956 -12.662 5.785 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.927 -8.820 1.797 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.557 -7.984 0.668 1.00 0.00 C ATOM 1539 C VAL A 97 -4.817 -7.605 -0.114 1.00 0.00 C ATOM 1540 O VAL A 97 -5.652 -8.460 -0.404 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.511 -8.697 -0.192 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.232 -7.915 -1.477 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.222 -8.933 0.597 1.00 0.00 C ATOM 0 H VAL A 97 -4.356 -9.711 1.546 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.097 -7.058 1.013 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.915 -9.670 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.485 -8.443 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.153 -7.821 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.859 -6.922 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.495 -9.441 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.814 -7.976 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.437 -9.550 1.469 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.913 -6.323 -0.434 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.057 -5.821 -1.177 1.00 0.00 C ATOM 1555 C ILE A 98 -5.566 -5.094 -2.430 1.00 0.00 C ATOM 1556 O ILE A 98 -4.739 -4.187 -2.343 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.945 -4.961 -0.276 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.915 -5.467 1.168 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.371 -4.883 -0.825 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.244 -6.959 1.233 1.00 0.00 C ATOM 0 H ILE A 98 -4.218 -5.617 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.686 -6.646 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.545 -3.947 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.930 -5.289 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.631 -4.906 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.981 -4.266 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.354 -4.442 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.795 -5.886 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.216 -7.293 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.240 -7.130 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.511 -7.519 0.652 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.095 -5.519 -3.568 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.722 -4.920 -4.837 1.00 0.00 C ATOM 1574 C GLU A 99 -6.735 -3.845 -5.237 1.00 0.00 C ATOM 1575 O GLU A 99 -7.922 -3.965 -4.937 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.592 -5.984 -5.929 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.513 -5.601 -6.943 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.073 -6.816 -7.762 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -3.145 -7.533 -7.357 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.732 -7.006 -8.854 1.00 0.00 O ATOM 0 H GLU A 99 -6.780 -6.272 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.747 -4.446 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.347 -6.945 -5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.548 -6.106 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.894 -4.827 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.654 -5.178 -6.423 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.230 -2.820 -5.907 1.00 0.00 N ATOM 1589 CA PHE A 100 -7.077 -1.726 -6.350 1.00 0.00 C ATOM 1590 C PHE A 100 -6.562 -1.131 -7.662 1.00 0.00 C ATOM 1591 O PHE A 100 -5.434 -1.403 -8.071 1.00 0.00 O ATOM 1592 CB PHE A 100 -7.025 -0.651 -5.262 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.685 0.081 -5.174 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -5.311 0.936 -6.164 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.868 -0.121 -4.105 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -4.067 1.616 -6.082 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.624 0.559 -4.024 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.250 1.413 -5.014 1.00 0.00 C ATOM 0 H PHE A 100 -5.245 -2.724 -6.154 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.092 -2.086 -6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.814 0.078 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.239 -1.113 -4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.960 1.098 -7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.166 -0.798 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.770 2.294 -6.868 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.975 0.398 -3.176 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.304 1.930 -4.952 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.413 -0.329 -8.286 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.058 0.306 -9.543 1.00 0.00 C ATOM 1610 C LYS A 101 -7.578 1.745 -9.547 1.00 0.00 C ATOM 1611 O LYS A 101 -8.571 2.052 -8.889 1.00 0.00 O ATOM 1612 CB LYS A 101 -7.554 -0.529 -10.725 1.00 0.00 C ATOM 1613 CG LYS A 101 -9.064 -0.372 -10.912 1.00 0.00 C ATOM 1614 CD LYS A 101 -9.463 -0.604 -12.371 1.00 0.00 C ATOM 1615 CE LYS A 101 -10.783 0.098 -12.697 1.00 0.00 C ATOM 1616 NZ LYS A 101 -11.884 -0.886 -12.793 1.00 0.00 N ATOM 0 H LYS A 101 -8.347 -0.105 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.975 0.357 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.037 -0.221 -11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.312 -1.579 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.589 -1.080 -10.271 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.371 0.627 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.678 -0.233 -13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.559 -1.673 -12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.011 0.833 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.690 0.641 -13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.772 -0.393 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.672 -1.572 -13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.983 -1.386 -11.886 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.884 2.590 -10.295 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.263 3.989 -10.393 1.00 0.00 C ATOM 1631 C CYS A 102 -8.208 4.148 -11.585 1.00 0.00 C ATOM 1632 O CYS A 102 -7.784 4.052 -12.736 1.00 0.00 O ATOM 1633 CB CYS A 102 -6.039 4.900 -10.509 1.00 0.00 C ATOM 1634 SG CYS A 102 -6.551 6.569 -11.056 1.00 0.00 S ATOM 0 H CYS A 102 -6.061 2.332 -10.839 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.776 4.294 -9.481 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.530 4.964 -9.547 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.327 4.478 -11.219 1.00 0.00 H new ATOM 0 HG CYS A 102 -7.373 6.464 -12.058 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.472 4.389 -11.269 1.00 0.00 N ATOM 1641 CA LEU A 103 -10.481 4.563 -12.300 1.00 0.00 C ATOM 1642 C LEU A 103 -9.902 5.405 -13.438 1.00 0.00 C ATOM 1643 O LEU A 103 -9.116 6.321 -13.199 1.00 0.00 O ATOM 1644 CB LEU A 103 -11.766 5.138 -11.701 1.00 0.00 C ATOM 1645 CG LEU A 103 -11.591 6.334 -10.762 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -11.531 7.644 -11.549 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.686 6.356 -9.694 1.00 0.00 C ATOM 0 H LEU A 103 -9.820 4.468 -10.314 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.759 3.599 -12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.423 5.436 -12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.276 4.344 -11.155 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.638 6.226 -10.244 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.406 8.478 -10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.688 7.615 -12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.456 7.773 -12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.539 7.215 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.662 6.429 -10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.639 5.440 -9.106 1.00 0.00 H new