USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 852 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 98 TYR OH : rot 23:sc= 0.0106 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.0095 X(o=0.0011,f=-0.39) USER MOD Set 2.1: A 77 CYS SG : rot 59:sc= 2.3 USER MOD Set 2.2: A 100 TYR OH : rot 135:sc= 1.36 USER MOD Set 3.1: A 39 CYS SG : rot 92:sc= -6.39! USER MOD Set 3.2: A 63 ASN : amide:sc= -6.36! C(o=-13!,f=-21!) USER MOD Set 4.1: A 20 TYR OH : rot -142:sc= -2.89! USER MOD Set 4.2: A 43 HIS : no HD1:sc= -1.87! C(o=-4.8!,f=-18!) USER MOD Set 5.1: A 22 HIS : no HE2:sc= -1.73! C(o=-3.5!,f=-12!) USER MOD Set 5.2: A 36 MET CE :methyl 153:sc= -0.134 (180deg=-0.00112) USER MOD Set 5.3: A 52 TYR OH : rot -140:sc= -1.67 USER MOD Single : A 7 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.02) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot -43:sc= -3.19! USER MOD Single : A 16 MET CE :methyl -157:sc= 0 (180deg=-0.0392) USER MOD Single : A 17 THR OG1 : rot 64:sc= -0.652 USER MOD Single : A 19 ASN : amide:sc= -2.8! C(o=-2.8!,f=-5.2!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.101 K(o=-0.1,f=-7.4!) USER MOD Single : A 29 SER OG : rot -94:sc= 0.00103 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -90:sc= 0.292 USER MOD Single : A 33 SER OG : rot -93:sc= 0.0921 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0.982 (180deg=0.936) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 65 THR OG1 : rot 82:sc= -1.47! USER MOD Single : A 69 SER OG : rot -170:sc= -0.0244 USER MOD Single : A 70 THR OG1 : rot 100:sc= 1.06 USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.025 (180deg=-0.369) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -133:sc= -4.14 (180deg=-9.38!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= -0.0121 (180deg=-0.214) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.0879 USER MOD Single : A 99 THR OG1 : rot 95:sc= 1.06 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -1.42 F(o=-2!,f=-1.4) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.237 12.594 5.453 1.00 0.00 N ATOM 84 CA ASN A 7 2.938 13.354 4.247 1.00 0.00 C ATOM 85 C ASN A 7 3.771 12.837 3.080 1.00 0.00 C ATOM 86 O ASN A 7 3.274 12.692 1.961 1.00 0.00 O ATOM 87 CB ASN A 7 3.247 14.835 4.479 1.00 0.00 C ATOM 88 CG ASN A 7 2.227 15.434 5.440 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.598 16.120 6.393 1.00 0.00 O ATOM 90 ND2 ASN A 7 0.956 15.217 5.246 1.00 0.00 N ATOM 0 HA ASN A 7 1.881 13.236 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.252 14.946 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.226 15.373 3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.267 15.616 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.650 14.649 4.456 1.00 0.00 H new ATOM 97 N MET A 8 5.038 12.551 3.356 1.00 0.00 N ATOM 98 CA MET A 8 5.941 12.044 2.333 1.00 0.00 C ATOM 99 C MET A 8 5.415 10.730 1.767 1.00 0.00 C ATOM 100 O MET A 8 5.372 10.539 0.551 1.00 0.00 O ATOM 101 CB MET A 8 7.331 11.828 2.948 1.00 0.00 C ATOM 102 CG MET A 8 8.293 11.233 1.918 1.00 0.00 C ATOM 103 SD MET A 8 8.424 12.331 0.489 1.00 0.00 S ATOM 104 CE MET A 8 9.482 11.264 -0.517 1.00 0.00 C ATOM 0 H MET A 8 5.461 12.662 4.277 1.00 0.00 H new ATOM 0 HA MET A 8 6.007 12.769 1.522 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.724 12.777 3.314 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.254 11.162 3.808 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.276 11.088 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.939 10.252 1.602 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.695 11.754 -1.467 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.416 11.076 0.012 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.973 10.318 -0.703 1.00 0.00 H new ATOM 114 N LEU A 9 5.010 9.836 2.658 1.00 0.00 N ATOM 115 CA LEU A 9 4.481 8.548 2.255 1.00 0.00 C ATOM 116 C LEU A 9 3.185 8.722 1.486 1.00 0.00 C ATOM 117 O LEU A 9 2.966 8.078 0.462 1.00 0.00 O ATOM 118 CB LEU A 9 4.208 7.716 3.500 1.00 0.00 C ATOM 119 CG LEU A 9 5.524 7.310 4.158 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.231 6.677 5.520 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.290 6.305 3.270 1.00 0.00 C ATOM 0 H LEU A 9 5.039 9.983 3.667 1.00 0.00 H new ATOM 0 HA LEU A 9 5.209 8.051 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.602 8.287 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.636 6.827 3.235 1.00 0.00 H new ATOM 0 HG LEU A 9 6.144 8.197 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.168 6.385 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.713 7.398 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.603 5.796 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.225 6.028 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.681 5.413 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.505 6.763 2.305 1.00 0.00 H new ATOM 133 N LEU A 10 2.324 9.591 2.004 1.00 0.00 N ATOM 134 CA LEU A 10 1.035 9.831 1.370 1.00 0.00 C ATOM 135 C LEU A 10 1.256 10.381 -0.035 1.00 0.00 C ATOM 136 O LEU A 10 0.651 9.917 -1.003 1.00 0.00 O ATOM 137 CB LEU A 10 0.215 10.822 2.218 1.00 0.00 C ATOM 138 CG LEU A 10 -1.222 10.948 1.672 1.00 0.00 C ATOM 139 CD1 LEU A 10 -2.068 9.754 2.144 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.860 12.258 2.174 1.00 0.00 C ATOM 0 H LEU A 10 2.493 10.134 2.851 1.00 0.00 H new ATOM 0 HA LEU A 10 0.480 8.896 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.187 10.485 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.698 11.799 2.213 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.186 10.957 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.082 9.850 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.625 8.827 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.098 9.737 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.875 12.341 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.888 12.255 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.269 13.106 1.829 1.00 0.00 H new ATOM 152 N GLU A 11 2.143 11.360 -0.134 1.00 0.00 N ATOM 153 CA GLU A 11 2.466 11.978 -1.414 1.00 0.00 C ATOM 154 C GLU A 11 2.999 10.934 -2.378 1.00 0.00 C ATOM 155 O GLU A 11 2.526 10.766 -3.504 1.00 0.00 O ATOM 156 CB GLU A 11 3.557 13.009 -1.170 1.00 0.00 C ATOM 157 CG GLU A 11 3.767 13.851 -2.425 1.00 0.00 C ATOM 158 CD GLU A 11 4.789 14.948 -2.146 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.968 14.636 -2.116 1.00 0.00 O ATOM 160 OE2 GLU A 11 4.377 16.081 -1.964 1.00 0.00 O ATOM 0 H GLU A 11 2.655 11.746 0.660 1.00 0.00 H new ATOM 0 HA GLU A 11 1.573 12.436 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.282 13.651 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.487 12.510 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.112 13.220 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.822 14.293 -2.740 1.00 0.00 H new ATOM 167 N TRP A 12 3.998 10.254 -1.877 1.00 0.00 N ATOM 168 CA TRP A 12 4.703 9.199 -2.572 1.00 0.00 C ATOM 169 C TRP A 12 3.742 8.123 -3.084 1.00 0.00 C ATOM 170 O TRP A 12 3.651 7.894 -4.285 1.00 0.00 O ATOM 171 CB TRP A 12 5.659 8.654 -1.523 1.00 0.00 C ATOM 172 CG TRP A 12 6.410 7.452 -1.954 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.547 7.447 -2.682 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.133 6.079 -1.608 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.981 6.140 -2.812 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.133 5.255 -2.165 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.104 5.478 -0.870 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.116 3.872 -1.989 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.078 4.090 -0.690 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.085 3.288 -1.249 1.00 0.00 C ATOM 0 H TRP A 12 4.359 10.424 -0.938 1.00 0.00 H new ATOM 0 HA TRP A 12 5.221 9.553 -3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.369 9.436 -1.254 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.094 8.413 -0.623 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.036 8.318 -3.094 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.820 5.862 -3.321 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.326 6.090 -0.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.893 3.258 -2.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.281 3.635 -0.120 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.063 2.218 -1.107 1.00 0.00 H new ATOM 191 N CYS A 13 3.015 7.489 -2.170 1.00 0.00 N ATOM 192 CA CYS A 13 2.055 6.451 -2.534 1.00 0.00 C ATOM 193 C CYS A 13 1.062 6.962 -3.589 1.00 0.00 C ATOM 194 O CYS A 13 0.737 6.262 -4.550 1.00 0.00 O ATOM 195 CB CYS A 13 1.299 6.019 -1.273 1.00 0.00 C ATOM 196 SG CYS A 13 0.060 7.270 -0.845 1.00 0.00 S ATOM 0 H CYS A 13 3.072 7.676 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 13 2.591 5.604 -2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.815 5.056 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.997 5.887 -0.446 1.00 0.00 H new ATOM 0 HG CYS A 13 0.577 8.455 -0.976 1.00 0.00 H new ATOM 202 N ARG A 14 0.592 8.184 -3.383 1.00 0.00 N ATOM 203 CA ARG A 14 -0.367 8.805 -4.300 1.00 0.00 C ATOM 204 C ARG A 14 0.215 8.879 -5.704 1.00 0.00 C ATOM 205 O ARG A 14 -0.439 8.538 -6.689 1.00 0.00 O ATOM 206 CB ARG A 14 -0.680 10.224 -3.834 1.00 0.00 C ATOM 207 CG ARG A 14 -1.916 10.748 -4.572 1.00 0.00 C ATOM 208 CD ARG A 14 -2.254 12.155 -4.072 1.00 0.00 C ATOM 209 NE ARG A 14 -2.459 12.145 -2.627 1.00 0.00 N ATOM 210 CZ ARG A 14 -2.604 13.277 -1.943 1.00 0.00 C ATOM 211 NH1 ARG A 14 -1.558 14.001 -1.650 1.00 0.00 N ATOM 212 NH2 ARG A 14 -3.790 13.662 -1.561 1.00 0.00 N ATOM 0 H ARG A 14 0.856 8.769 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.274 8.200 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.855 10.234 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.173 10.876 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.730 10.768 -5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.761 10.080 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.447 12.842 -4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.152 12.519 -4.571 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.492 11.254 -2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.630 13.699 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.669 14.869 -1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.607 13.095 -1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.900 14.530 -1.037 1.00 0.00 H new ATOM 226 N ALA A 15 1.448 9.340 -5.769 1.00 0.00 N ATOM 227 CA ALA A 15 2.140 9.490 -7.045 1.00 0.00 C ATOM 228 C ALA A 15 2.043 8.215 -7.880 1.00 0.00 C ATOM 229 O ALA A 15 2.128 8.257 -9.106 1.00 0.00 O ATOM 230 CB ALA A 15 3.611 9.822 -6.795 1.00 0.00 C ATOM 0 H ALA A 15 1.996 9.619 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 15 1.663 10.300 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.126 9.934 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.683 10.753 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.074 9.017 -6.225 1.00 0.00 H new ATOM 236 N MET A 16 1.881 7.084 -7.206 1.00 0.00 N ATOM 237 CA MET A 16 1.787 5.794 -7.887 1.00 0.00 C ATOM 238 C MET A 16 0.322 5.385 -8.056 1.00 0.00 C ATOM 239 O MET A 16 0.028 4.388 -8.697 1.00 0.00 O ATOM 240 CB MET A 16 2.552 4.735 -7.070 1.00 0.00 C ATOM 241 CG MET A 16 3.703 5.409 -6.321 1.00 0.00 C ATOM 242 SD MET A 16 4.671 6.435 -7.460 1.00 0.00 S ATOM 243 CE MET A 16 6.091 6.721 -6.369 1.00 0.00 C ATOM 0 H MET A 16 1.812 7.031 -6.190 1.00 0.00 H new ATOM 0 HA MET A 16 2.231 5.875 -8.879 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.879 4.248 -6.364 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.938 3.958 -7.730 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.310 6.023 -5.511 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.343 4.653 -5.866 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.611 7.628 -6.678 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.744 6.834 -5.342 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.773 5.873 -6.430 1.00 0.00 H new ATOM 253 N THR A 17 -0.584 6.157 -7.461 1.00 0.00 N ATOM 254 CA THR A 17 -2.016 5.862 -7.539 1.00 0.00 C ATOM 255 C THR A 17 -2.647 6.486 -8.787 1.00 0.00 C ATOM 256 O THR A 17 -3.762 6.128 -9.172 1.00 0.00 O ATOM 257 CB THR A 17 -2.723 6.410 -6.294 1.00 0.00 C ATOM 258 OG1 THR A 17 -2.239 5.740 -5.138 1.00 0.00 O ATOM 259 CG2 THR A 17 -4.231 6.192 -6.420 1.00 0.00 C ATOM 0 H THR A 17 -0.355 6.991 -6.920 1.00 0.00 H new ATOM 0 HA THR A 17 -2.133 4.780 -7.595 1.00 0.00 H new ATOM 0 HB THR A 17 -2.520 7.477 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.286 5.936 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.730 6.583 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.601 6.712 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.438 5.126 -6.513 1.00 0.00 H new ATOM 267 N ARG A 18 -1.924 7.404 -9.413 1.00 0.00 N ATOM 268 CA ARG A 18 -2.413 8.061 -10.620 1.00 0.00 C ATOM 269 C ARG A 18 -2.543 7.036 -11.745 1.00 0.00 C ATOM 270 O ARG A 18 -3.523 7.013 -12.487 1.00 0.00 O ATOM 271 CB ARG A 18 -1.417 9.144 -11.012 1.00 0.00 C ATOM 272 CG ARG A 18 -1.459 10.246 -9.956 1.00 0.00 C ATOM 273 CD ARG A 18 -0.430 11.322 -10.289 1.00 0.00 C ATOM 274 NE ARG A 18 -0.420 12.332 -9.240 1.00 0.00 N ATOM 275 CZ ARG A 18 -1.283 13.339 -9.250 1.00 0.00 C ATOM 276 NH1 ARG A 18 -2.470 13.189 -8.727 1.00 0.00 N ATOM 277 NH2 ARG A 18 -0.944 14.475 -9.791 1.00 0.00 N ATOM 0 H ARG A 18 -1.000 7.711 -9.108 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.392 8.505 -10.440 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.413 8.727 -11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.665 9.550 -11.993 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.456 10.684 -9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.254 9.826 -8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.559 10.875 -10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.668 11.782 -11.248 1.00 0.00 H new ATOM 0 HE ARG A 18 0.262 12.264 -8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.735 12.296 -8.310 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.133 13.964 -8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.018 14.587 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.604 15.252 -9.801 1.00 0.00 H new ATOM 291 N ASN A 19 -1.530 6.190 -11.832 1.00 0.00 N ATOM 292 CA ASN A 19 -1.483 5.133 -12.840 1.00 0.00 C ATOM 293 C ASN A 19 -2.633 4.162 -12.626 1.00 0.00 C ATOM 294 O ASN A 19 -3.200 3.623 -13.577 1.00 0.00 O ATOM 295 CB ASN A 19 -0.160 4.372 -12.746 1.00 0.00 C ATOM 296 CG ASN A 19 -0.118 3.260 -13.791 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.112 2.567 -14.008 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.983 3.047 -14.460 1.00 0.00 N ATOM 0 H ASN A 19 -0.720 6.212 -11.212 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.568 5.590 -13.826 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.674 5.057 -12.899 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.045 3.948 -11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.019 2.307 -15.161 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.807 3.620 -14.281 1.00 0.00 H new ATOM 305 N TYR A 20 -2.961 3.939 -11.361 1.00 0.00 N ATOM 306 CA TYR A 20 -4.032 3.028 -10.986 1.00 0.00 C ATOM 307 C TYR A 20 -5.360 3.764 -10.860 1.00 0.00 C ATOM 308 O TYR A 20 -5.392 4.958 -10.558 1.00 0.00 O ATOM 309 CB TYR A 20 -3.680 2.386 -9.645 1.00 0.00 C ATOM 310 CG TYR A 20 -2.578 1.376 -9.845 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.258 1.804 -9.975 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.883 0.016 -9.901 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.231 0.868 -10.162 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.864 -0.922 -10.087 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.535 -0.496 -10.216 1.00 0.00 C ATOM 316 OH TYR A 20 0.472 -1.416 -10.400 1.00 0.00 O ATOM 0 H TYR A 20 -2.494 4.382 -10.570 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.136 2.268 -11.761 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.363 3.151 -8.936 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.559 1.902 -9.220 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.026 2.858 -9.932 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.907 -0.312 -9.801 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.792 1.199 -10.264 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.100 -1.975 -10.131 1.00 0.00 H new ATOM 0 HH TYR A 20 0.152 -2.140 -10.978 1.00 0.00 H new ATOM 326 N GLU A 21 -6.460 3.051 -11.112 1.00 0.00 N ATOM 327 CA GLU A 21 -7.796 3.646 -11.036 1.00 0.00 C ATOM 328 C GLU A 21 -8.635 2.938 -9.987 1.00 0.00 C ATOM 329 O GLU A 21 -8.198 1.947 -9.405 1.00 0.00 O ATOM 330 CB GLU A 21 -8.491 3.544 -12.390 1.00 0.00 C ATOM 331 CG GLU A 21 -8.388 2.111 -12.907 1.00 0.00 C ATOM 332 CD GLU A 21 -9.133 1.989 -14.229 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.822 2.931 -14.584 1.00 0.00 O ATOM 334 OE2 GLU A 21 -9.015 0.952 -14.860 1.00 0.00 O ATOM 0 H GLU A 21 -6.452 2.064 -11.370 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.689 4.695 -10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.538 3.834 -12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.032 4.232 -13.100 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.342 1.837 -13.041 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.808 1.419 -12.177 1.00 0.00 H new ATOM 341 N HIS A 22 -9.834 3.468 -9.743 1.00 0.00 N ATOM 342 CA HIS A 22 -10.728 2.889 -8.744 1.00 0.00 C ATOM 343 C HIS A 22 -10.052 2.981 -7.377 1.00 0.00 C ATOM 344 O HIS A 22 -10.576 2.526 -6.364 1.00 0.00 O ATOM 345 CB HIS A 22 -11.048 1.425 -9.119 1.00 0.00 C ATOM 346 CG HIS A 22 -12.096 0.849 -8.203 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.882 0.690 -6.847 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.352 0.350 -8.439 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.980 0.121 -6.322 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.911 -0.110 -7.251 1.00 0.00 N ATOM 0 H HIS A 22 -10.205 4.290 -10.220 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.671 3.435 -8.708 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.396 1.378 -10.151 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.140 0.825 -9.062 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.041 0.957 -6.336 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.835 0.319 -9.404 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.096 -0.120 -5.276 1.00 0.00 H new ATOM 358 N VAL A 23 -8.873 3.599 -7.367 1.00 0.00 N ATOM 359 CA VAL A 23 -8.094 3.779 -6.142 1.00 0.00 C ATOM 360 C VAL A 23 -7.789 5.257 -5.921 1.00 0.00 C ATOM 361 O VAL A 23 -7.270 5.933 -6.807 1.00 0.00 O ATOM 362 CB VAL A 23 -6.786 2.999 -6.285 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.905 3.193 -5.053 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.097 1.509 -6.460 1.00 0.00 C ATOM 0 H VAL A 23 -8.432 3.987 -8.201 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.663 3.413 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.251 3.372 -7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.980 2.630 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.673 4.251 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.433 2.836 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.165 0.952 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.643 1.146 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.704 1.367 -7.354 1.00 0.00 H new ATOM 374 N ASP A 24 -8.122 5.747 -4.733 1.00 0.00 N ATOM 375 CA ASP A 24 -7.887 7.151 -4.380 1.00 0.00 C ATOM 376 C ASP A 24 -7.433 7.252 -2.930 1.00 0.00 C ATOM 377 O ASP A 24 -8.220 7.039 -2.007 1.00 0.00 O ATOM 378 CB ASP A 24 -9.167 7.966 -4.576 1.00 0.00 C ATOM 379 CG ASP A 24 -10.322 7.310 -3.829 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.132 6.209 -3.336 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.378 7.915 -3.759 1.00 0.00 O ATOM 0 H ASP A 24 -8.557 5.196 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.108 7.550 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.019 8.983 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.403 8.037 -5.638 1.00 0.00 H new ATOM 386 N ILE A 25 -6.151 7.538 -2.735 1.00 0.00 N ATOM 387 CA ILE A 25 -5.592 7.617 -1.388 1.00 0.00 C ATOM 388 C ILE A 25 -5.786 8.998 -0.756 1.00 0.00 C ATOM 389 O ILE A 25 -4.929 9.877 -0.855 1.00 0.00 O ATOM 390 CB ILE A 25 -4.109 7.232 -1.440 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.007 5.822 -2.037 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.521 7.233 -0.025 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.541 5.426 -2.233 1.00 0.00 C ATOM 0 H ILE A 25 -5.483 7.718 -3.484 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.130 6.916 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.555 7.947 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.498 5.106 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.530 5.787 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.467 6.959 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.619 8.228 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.058 6.513 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.489 4.423 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.061 6.132 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.029 5.440 -1.271 1.00 0.00 H new ATOM 405 N GLN A 26 -6.929 9.150 -0.077 1.00 0.00 N ATOM 406 CA GLN A 26 -7.273 10.392 0.624 1.00 0.00 C ATOM 407 C GLN A 26 -7.053 10.194 2.117 1.00 0.00 C ATOM 408 O GLN A 26 -7.216 11.111 2.921 1.00 0.00 O ATOM 409 CB GLN A 26 -8.737 10.760 0.364 1.00 0.00 C ATOM 410 CG GLN A 26 -8.913 11.150 -1.104 1.00 0.00 C ATOM 411 CD GLN A 26 -10.384 11.417 -1.399 1.00 0.00 C ATOM 412 OE1 GLN A 26 -10.857 12.542 -1.238 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.143 10.440 -1.814 1.00 0.00 N ATOM 0 H GLN A 26 -7.637 8.420 0.002 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.640 11.200 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.383 9.917 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.035 11.587 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.322 12.038 -1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.543 10.352 -1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.749 9.509 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.131 10.608 -2.006 1.00 0.00 H new ATOM 422 N ASN A 27 -6.668 8.977 2.463 1.00 0.00 N ATOM 423 CA ASN A 27 -6.401 8.612 3.843 1.00 0.00 C ATOM 424 C ASN A 27 -5.684 7.275 3.851 1.00 0.00 C ATOM 425 O ASN A 27 -5.448 6.691 2.795 1.00 0.00 O ATOM 426 CB ASN A 27 -7.703 8.506 4.647 1.00 0.00 C ATOM 427 CG ASN A 27 -7.402 8.488 6.145 1.00 0.00 C ATOM 428 OD1 ASN A 27 -6.246 8.613 6.550 1.00 0.00 O ATOM 429 ND2 ASN A 27 -8.382 8.339 6.998 1.00 0.00 N ATOM 0 H ASN A 27 -6.532 8.217 1.797 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.784 9.382 4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.354 9.348 4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.239 7.599 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.189 8.326 7.999 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.339 8.236 6.662 1.00 0.00 H new ATOM 436 N PHE A 28 -5.328 6.795 5.029 1.00 0.00 N ATOM 437 CA PHE A 28 -4.626 5.518 5.136 1.00 0.00 C ATOM 438 C PHE A 28 -5.575 4.434 5.620 1.00 0.00 C ATOM 439 O PHE A 28 -5.246 3.250 5.597 1.00 0.00 O ATOM 440 CB PHE A 28 -3.463 5.665 6.121 1.00 0.00 C ATOM 441 CG PHE A 28 -2.318 6.379 5.437 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.624 5.744 4.401 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.952 7.671 5.834 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.568 6.399 3.759 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.896 8.326 5.194 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.203 7.691 4.156 1.00 0.00 C ATOM 0 H PHE A 28 -5.508 7.260 5.919 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.245 5.235 4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.784 6.225 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.139 4.684 6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.904 4.746 4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.486 8.161 6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.035 5.909 2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.614 9.323 5.500 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.613 8.198 3.662 1.00 0.00 H new ATOM 456 N SER A 29 -6.742 4.858 6.087 1.00 0.00 N ATOM 457 CA SER A 29 -7.739 3.935 6.631 1.00 0.00 C ATOM 458 C SER A 29 -8.891 3.660 5.666 1.00 0.00 C ATOM 459 O SER A 29 -9.008 2.567 5.109 1.00 0.00 O ATOM 460 CB SER A 29 -8.312 4.539 7.910 1.00 0.00 C ATOM 461 OG SER A 29 -7.255 4.774 8.831 1.00 0.00 O ATOM 0 H SER A 29 -7.025 5.838 6.101 1.00 0.00 H new ATOM 0 HA SER A 29 -7.236 2.986 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.829 5.472 7.686 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.048 3.864 8.347 1.00 0.00 H new ATOM 0 HG SER A 29 -7.174 4.009 9.438 1.00 0.00 H new ATOM 467 N SER A 30 -9.758 4.653 5.505 1.00 0.00 N ATOM 468 CA SER A 30 -10.931 4.515 4.649 1.00 0.00 C ATOM 469 C SER A 30 -10.564 4.211 3.205 1.00 0.00 C ATOM 470 O SER A 30 -11.209 3.390 2.555 1.00 0.00 O ATOM 471 CB SER A 30 -11.749 5.804 4.685 1.00 0.00 C ATOM 472 OG SER A 30 -12.911 5.639 3.883 1.00 0.00 O ATOM 0 H SER A 30 -9.671 5.564 5.956 1.00 0.00 H new ATOM 0 HA SER A 30 -11.510 3.676 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.031 6.042 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.153 6.638 4.316 1.00 0.00 H new ATOM 0 HG SER A 30 -13.442 6.463 3.903 1.00 0.00 H new ATOM 478 N SER A 31 -9.555 4.890 2.698 1.00 0.00 N ATOM 479 CA SER A 31 -9.150 4.691 1.317 1.00 0.00 C ATOM 480 C SER A 31 -8.486 3.331 1.125 1.00 0.00 C ATOM 481 O SER A 31 -8.052 2.994 0.024 1.00 0.00 O ATOM 482 CB SER A 31 -8.196 5.803 0.899 1.00 0.00 C ATOM 483 OG SER A 31 -8.856 7.053 1.029 1.00 0.00 O ATOM 0 H SER A 31 -9.004 5.577 3.213 1.00 0.00 H new ATOM 0 HA SER A 31 -10.041 4.719 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.301 5.784 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.872 5.654 -0.131 1.00 0.00 H new ATOM 0 HG SER A 31 -9.308 7.273 0.188 1.00 0.00 H new ATOM 489 N TRP A 32 -8.401 2.558 2.206 1.00 0.00 N ATOM 490 CA TRP A 32 -7.778 1.236 2.159 1.00 0.00 C ATOM 491 C TRP A 32 -8.797 0.122 2.414 1.00 0.00 C ATOM 492 O TRP A 32 -8.465 -1.058 2.316 1.00 0.00 O ATOM 493 CB TRP A 32 -6.700 1.186 3.230 1.00 0.00 C ATOM 494 CG TRP A 32 -5.576 2.066 2.829 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.658 3.405 2.692 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.209 1.697 2.522 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.422 3.884 2.305 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.492 2.868 2.195 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.529 0.472 2.493 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.143 2.823 1.854 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.170 0.422 2.147 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.480 1.596 1.831 1.00 0.00 C ATOM 0 H TRP A 32 -8.755 2.824 3.125 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.357 1.078 1.166 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.107 1.509 4.188 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.348 0.163 3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.542 4.003 2.857 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.220 4.867 2.123 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.054 -0.439 2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.613 3.732 1.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.655 -0.527 2.125 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.433 1.553 1.569 1.00 0.00 H new ATOM 513 N SER A 33 -10.024 0.498 2.762 1.00 0.00 N ATOM 514 CA SER A 33 -11.057 -0.487 3.048 1.00 0.00 C ATOM 515 C SER A 33 -11.237 -1.460 1.886 1.00 0.00 C ATOM 516 O SER A 33 -11.418 -2.658 2.099 1.00 0.00 O ATOM 517 CB SER A 33 -12.379 0.225 3.319 1.00 0.00 C ATOM 518 OG SER A 33 -12.267 0.993 4.510 1.00 0.00 O ATOM 0 H SER A 33 -10.324 1.469 2.852 1.00 0.00 H new ATOM 0 HA SER A 33 -10.748 -1.056 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.635 0.871 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.184 -0.504 3.418 1.00 0.00 H new ATOM 0 HG SER A 33 -12.570 0.459 5.274 1.00 0.00 H new ATOM 524 N SER A 34 -11.197 -0.948 0.659 1.00 0.00 N ATOM 525 CA SER A 34 -11.369 -1.796 -0.516 1.00 0.00 C ATOM 526 C SER A 34 -10.242 -2.816 -0.652 1.00 0.00 C ATOM 527 O SER A 34 -10.400 -3.838 -1.320 1.00 0.00 O ATOM 528 CB SER A 34 -11.402 -0.924 -1.776 1.00 0.00 C ATOM 529 OG SER A 34 -12.072 0.293 -1.488 1.00 0.00 O ATOM 0 H SER A 34 -11.049 0.040 0.454 1.00 0.00 H new ATOM 0 HA SER A 34 -12.307 -2.338 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.387 -0.721 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.911 -1.451 -2.583 1.00 0.00 H new ATOM 0 HG SER A 34 -12.093 0.853 -2.292 1.00 0.00 H new ATOM 535 N GLY A 35 -9.098 -2.520 -0.050 1.00 0.00 N ATOM 536 CA GLY A 35 -7.953 -3.413 -0.158 1.00 0.00 C ATOM 537 C GLY A 35 -7.294 -3.202 -1.511 1.00 0.00 C ATOM 538 O GLY A 35 -6.202 -3.695 -1.782 1.00 0.00 O ATOM 0 H GLY A 35 -8.939 -1.682 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.242 -3.214 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.271 -4.450 -0.051 1.00 0.00 H new ATOM 542 N MET A 36 -7.983 -2.435 -2.346 1.00 0.00 N ATOM 543 CA MET A 36 -7.506 -2.112 -3.677 1.00 0.00 C ATOM 544 C MET A 36 -6.198 -1.333 -3.595 1.00 0.00 C ATOM 545 O MET A 36 -5.364 -1.404 -4.496 1.00 0.00 O ATOM 546 CB MET A 36 -8.565 -1.272 -4.402 1.00 0.00 C ATOM 547 CG MET A 36 -9.900 -2.029 -4.438 1.00 0.00 C ATOM 548 SD MET A 36 -9.868 -3.261 -5.765 1.00 0.00 S ATOM 549 CE MET A 36 -10.403 -2.164 -7.106 1.00 0.00 C ATOM 0 H MET A 36 -8.887 -2.022 -2.117 1.00 0.00 H new ATOM 0 HA MET A 36 -7.328 -3.035 -4.228 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.693 -0.316 -3.894 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.234 -1.052 -5.417 1.00 0.00 H new ATOM 0 HG2 MET A 36 -10.078 -2.517 -3.480 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.721 -1.330 -4.597 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.015 -2.534 -8.055 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.492 -2.140 -7.144 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.024 -1.158 -6.926 1.00 0.00 H new ATOM 559 N ALA A 37 -6.035 -0.575 -2.516 1.00 0.00 N ATOM 560 CA ALA A 37 -4.828 0.227 -2.339 1.00 0.00 C ATOM 561 C ALA A 37 -3.586 -0.648 -2.144 1.00 0.00 C ATOM 562 O ALA A 37 -2.575 -0.453 -2.815 1.00 0.00 O ATOM 563 CB ALA A 37 -4.994 1.164 -1.139 1.00 0.00 C ATOM 0 H ALA A 37 -6.714 -0.498 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.685 0.812 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.089 1.759 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.843 1.826 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.168 0.575 -0.239 1.00 0.00 H new ATOM 569 N PHE A 38 -3.652 -1.595 -1.211 1.00 0.00 N ATOM 570 CA PHE A 38 -2.501 -2.460 -0.941 1.00 0.00 C ATOM 571 C PHE A 38 -2.066 -3.217 -2.197 1.00 0.00 C ATOM 572 O PHE A 38 -0.875 -3.300 -2.497 1.00 0.00 O ATOM 573 CB PHE A 38 -2.840 -3.470 0.194 1.00 0.00 C ATOM 574 CG PHE A 38 -2.163 -3.059 1.487 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.765 -2.975 1.534 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.920 -2.766 2.627 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.126 -2.598 2.718 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.276 -2.387 3.816 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.879 -2.304 3.859 1.00 0.00 C ATOM 0 H PHE A 38 -4.474 -1.783 -0.637 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.675 -1.824 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.919 -3.515 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.515 -4.470 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.181 -3.202 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.997 -2.831 2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.952 -2.534 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.858 -2.160 4.697 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.383 -2.013 4.773 1.00 0.00 H new ATOM 589 N CYS A 39 -3.024 -3.784 -2.908 1.00 0.00 N ATOM 590 CA CYS A 39 -2.705 -4.543 -4.113 1.00 0.00 C ATOM 591 C CYS A 39 -2.200 -3.630 -5.228 1.00 0.00 C ATOM 592 O CYS A 39 -1.213 -3.936 -5.897 1.00 0.00 O ATOM 593 CB CYS A 39 -3.951 -5.298 -4.596 1.00 0.00 C ATOM 594 SG CYS A 39 -4.044 -6.904 -3.773 1.00 0.00 S ATOM 0 H CYS A 39 -4.017 -3.737 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.914 -5.251 -3.865 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.847 -4.716 -4.382 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.910 -5.434 -5.677 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.762 -6.798 -2.695 1.00 0.00 H new ATOM 600 N ALA A 40 -2.907 -2.530 -5.432 1.00 0.00 N ATOM 601 CA ALA A 40 -2.573 -1.578 -6.487 1.00 0.00 C ATOM 602 C ALA A 40 -1.172 -0.991 -6.319 1.00 0.00 C ATOM 603 O ALA A 40 -0.450 -0.802 -7.296 1.00 0.00 O ATOM 604 CB ALA A 40 -3.594 -0.444 -6.473 1.00 0.00 C ATOM 0 H ALA A 40 -3.723 -2.270 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.594 -2.114 -7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.353 0.273 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.591 -0.850 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.569 0.056 -5.505 1.00 0.00 H new ATOM 610 N LEU A 41 -0.806 -0.689 -5.084 1.00 0.00 N ATOM 611 CA LEU A 41 0.501 -0.102 -4.799 1.00 0.00 C ATOM 612 C LEU A 41 1.626 -1.083 -5.143 1.00 0.00 C ATOM 613 O LEU A 41 2.633 -0.706 -5.745 1.00 0.00 O ATOM 614 CB LEU A 41 0.549 0.281 -3.316 1.00 0.00 C ATOM 615 CG LEU A 41 1.849 1.021 -2.971 1.00 0.00 C ATOM 616 CD1 LEU A 41 1.921 2.361 -3.730 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.871 1.286 -1.460 1.00 0.00 C ATOM 0 H LEU A 41 -1.391 -0.839 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 41 0.646 0.787 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.306 0.912 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.466 -0.617 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 41 2.704 0.412 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.848 2.874 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.893 2.173 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.072 2.984 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.789 1.812 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.011 1.897 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.829 0.338 -0.924 1.00 0.00 H new ATOM 629 N ILE A 42 1.444 -2.343 -4.759 1.00 0.00 N ATOM 630 CA ILE A 42 2.439 -3.383 -5.025 1.00 0.00 C ATOM 631 C ILE A 42 2.571 -3.679 -6.524 1.00 0.00 C ATOM 632 O ILE A 42 3.679 -3.821 -7.041 1.00 0.00 O ATOM 633 CB ILE A 42 2.032 -4.666 -4.261 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.435 -4.545 -2.775 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.675 -5.918 -4.880 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.915 -4.934 -2.564 1.00 0.00 C ATOM 0 H ILE A 42 0.616 -2.671 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 42 3.411 -3.029 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 42 0.950 -4.773 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.273 -3.523 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.797 -5.188 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.368 -6.800 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.353 -6.017 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.760 -5.825 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.169 -4.839 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.069 -5.965 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.552 -4.273 -3.152 1.00 0.00 H new ATOM 648 N HIS A 43 1.436 -3.803 -7.199 1.00 0.00 N ATOM 649 CA HIS A 43 1.425 -4.116 -8.625 1.00 0.00 C ATOM 650 C HIS A 43 2.216 -3.080 -9.421 1.00 0.00 C ATOM 651 O HIS A 43 2.411 -3.223 -10.631 1.00 0.00 O ATOM 652 CB HIS A 43 -0.024 -4.155 -9.116 1.00 0.00 C ATOM 653 CG HIS A 43 -0.062 -4.355 -10.609 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.525 -3.381 -11.478 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.293 -5.419 -11.399 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.442 -3.873 -12.724 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.051 -5.114 -12.734 1.00 0.00 N ATOM 0 H HIS A 43 0.511 -3.692 -6.784 1.00 0.00 H new ATOM 0 HA HIS A 43 1.897 -5.087 -8.776 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.562 -4.963 -8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.530 -3.226 -8.853 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.699 -6.353 -11.039 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.738 -3.331 -13.610 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.215 -5.710 -13.546 1.00 0.00 H new ATOM 665 N LYS A 44 2.656 -2.036 -8.733 1.00 0.00 N ATOM 666 CA LYS A 44 3.418 -0.965 -9.370 1.00 0.00 C ATOM 667 C LYS A 44 4.909 -1.287 -9.426 1.00 0.00 C ATOM 668 O LYS A 44 5.600 -0.924 -10.382 1.00 0.00 O ATOM 669 CB LYS A 44 3.212 0.343 -8.593 1.00 0.00 C ATOM 670 CG LYS A 44 3.666 1.562 -9.446 1.00 0.00 C ATOM 671 CD LYS A 44 5.052 2.030 -8.991 1.00 0.00 C ATOM 672 CE LYS A 44 5.570 3.092 -9.956 1.00 0.00 C ATOM 673 NZ LYS A 44 4.739 4.319 -9.827 1.00 0.00 N ATOM 0 H LYS A 44 2.500 -1.905 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 44 3.056 -0.861 -10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.161 0.451 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.778 0.313 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.693 1.289 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.947 2.375 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.997 2.436 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.741 1.186 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.613 3.321 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.533 2.719 -10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.110 5.057 -10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.756 4.102 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.770 4.657 -8.844 1.00 0.00 H new ATOM 687 N PHE A 45 5.402 -1.940 -8.382 1.00 0.00 N ATOM 688 CA PHE A 45 6.819 -2.281 -8.290 1.00 0.00 C ATOM 689 C PHE A 45 7.139 -3.586 -9.020 1.00 0.00 C ATOM 690 O PHE A 45 8.175 -3.702 -9.671 1.00 0.00 O ATOM 691 CB PHE A 45 7.205 -2.413 -6.814 1.00 0.00 C ATOM 692 CG PHE A 45 6.511 -1.334 -6.002 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.591 0.016 -6.388 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.786 -1.686 -4.854 1.00 0.00 C ATOM 695 CE1 PHE A 45 5.945 1.001 -5.624 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.145 -0.703 -4.097 1.00 0.00 C ATOM 697 CZ PHE A 45 5.225 0.640 -4.479 1.00 0.00 C ATOM 0 H PHE A 45 4.843 -2.245 -7.585 1.00 0.00 H new ATOM 0 HA PHE A 45 7.392 -1.486 -8.767 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.924 -3.398 -6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.286 -2.326 -6.702 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.148 0.294 -7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.723 -2.722 -4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.004 2.038 -5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.587 -0.980 -3.215 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.731 1.399 -3.890 1.00 0.00 H new ATOM 707 N PHE A 46 6.258 -4.574 -8.886 1.00 0.00 N ATOM 708 CA PHE A 46 6.469 -5.882 -9.508 1.00 0.00 C ATOM 709 C PHE A 46 5.356 -6.204 -10.516 1.00 0.00 C ATOM 710 O PHE A 46 4.453 -6.961 -10.198 1.00 0.00 O ATOM 711 CB PHE A 46 6.489 -6.921 -8.393 1.00 0.00 C ATOM 712 CG PHE A 46 7.414 -6.427 -7.307 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.794 -6.406 -7.529 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.895 -5.981 -6.087 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.654 -5.945 -6.529 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.754 -5.517 -5.088 1.00 0.00 C ATOM 717 CZ PHE A 46 9.132 -5.499 -5.308 1.00 0.00 C ATOM 0 H PHE A 46 5.392 -4.496 -8.353 1.00 0.00 H new ATOM 0 HA PHE A 46 7.410 -5.885 -10.058 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.485 -7.074 -7.997 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.831 -7.883 -8.775 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.195 -6.746 -8.472 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.829 -5.995 -5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.721 -5.933 -6.697 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.352 -5.173 -4.147 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.797 -5.141 -4.536 1.00 0.00 H new ATOM 727 N PRO A 47 5.384 -5.650 -11.716 1.00 0.00 N ATOM 728 CA PRO A 47 4.311 -5.909 -12.732 1.00 0.00 C ATOM 729 C PRO A 47 3.984 -7.399 -12.841 1.00 0.00 C ATOM 730 O PRO A 47 2.837 -7.778 -13.071 1.00 0.00 O ATOM 731 CB PRO A 47 4.895 -5.383 -14.068 1.00 0.00 C ATOM 732 CG PRO A 47 6.282 -4.879 -13.766 1.00 0.00 C ATOM 733 CD PRO A 47 6.400 -4.725 -12.246 1.00 0.00 C ATOM 0 HA PRO A 47 3.377 -5.417 -12.460 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.926 -6.176 -14.816 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.273 -4.585 -14.475 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.032 -5.576 -14.139 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.459 -3.925 -14.262 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.399 -4.985 -11.895 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.208 -3.699 -11.932 1.00 0.00 H new ATOM 741 N GLU A 48 5.003 -8.226 -12.664 1.00 0.00 N ATOM 742 CA GLU A 48 4.822 -9.667 -12.732 1.00 0.00 C ATOM 743 C GLU A 48 3.988 -10.119 -11.539 1.00 0.00 C ATOM 744 O GLU A 48 3.686 -11.302 -11.375 1.00 0.00 O ATOM 745 CB GLU A 48 6.188 -10.366 -12.731 1.00 0.00 C ATOM 746 CG GLU A 48 6.926 -10.047 -14.035 1.00 0.00 C ATOM 747 CD GLU A 48 8.320 -10.671 -14.022 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.964 -10.611 -12.987 1.00 0.00 O ATOM 749 OE2 GLU A 48 8.724 -11.199 -15.046 1.00 0.00 O ATOM 0 H GLU A 48 5.959 -7.926 -12.473 1.00 0.00 H new ATOM 0 HA GLU A 48 4.303 -9.932 -13.653 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.778 -10.034 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.057 -11.443 -12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.358 -10.427 -14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.005 -8.967 -14.161 1.00 0.00 H new ATOM 756 N ALA A 49 3.637 -9.144 -10.710 1.00 0.00 N ATOM 757 CA ALA A 49 2.848 -9.387 -9.503 1.00 0.00 C ATOM 758 C ALA A 49 1.554 -10.112 -9.818 1.00 0.00 C ATOM 759 O ALA A 49 1.428 -11.319 -9.615 1.00 0.00 O ATOM 760 CB ALA A 49 2.493 -8.045 -8.842 1.00 0.00 C ATOM 0 H ALA A 49 3.889 -8.166 -10.852 1.00 0.00 H new ATOM 0 HA ALA A 49 3.449 -10.006 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.905 -8.227 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.409 -7.517 -8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.913 -7.439 -9.538 1.00 0.00 H new ATOM 766 N PHE A 50 0.596 -9.350 -10.323 1.00 0.00 N ATOM 767 CA PHE A 50 -0.699 -9.883 -10.677 1.00 0.00 C ATOM 768 C PHE A 50 -1.461 -8.863 -11.509 1.00 0.00 C ATOM 769 O PHE A 50 -1.162 -7.670 -11.478 1.00 0.00 O ATOM 770 CB PHE A 50 -1.498 -10.234 -9.418 1.00 0.00 C ATOM 771 CG PHE A 50 -1.359 -9.128 -8.394 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.073 -7.932 -8.546 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.515 -9.301 -7.288 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.942 -6.911 -7.596 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.384 -8.280 -6.337 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.097 -7.085 -6.491 1.00 0.00 C ATOM 0 H PHE A 50 0.699 -8.350 -10.496 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.558 -10.793 -11.261 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.548 -10.377 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.140 -11.175 -9.000 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.725 -7.797 -9.396 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.035 -10.223 -7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.492 -5.989 -7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.267 -8.415 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.996 -6.298 -5.759 1.00 0.00 H new ATOM 786 N ASP A 51 -2.468 -9.333 -12.228 1.00 0.00 N ATOM 787 CA ASP A 51 -3.283 -8.448 -13.043 1.00 0.00 C ATOM 788 C ASP A 51 -4.283 -7.713 -12.155 1.00 0.00 C ATOM 789 O ASP A 51 -5.385 -8.196 -11.912 1.00 0.00 O ATOM 790 CB ASP A 51 -4.030 -9.255 -14.109 1.00 0.00 C ATOM 791 CG ASP A 51 -3.068 -9.725 -15.194 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.972 -9.192 -15.260 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.441 -10.611 -15.945 1.00 0.00 O ATOM 0 H ASP A 51 -2.739 -10.316 -12.264 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.638 -7.723 -13.538 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.516 -10.115 -13.648 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.816 -8.644 -14.552 1.00 0.00 H new ATOM 798 N TYR A 52 -3.886 -6.550 -11.653 1.00 0.00 N ATOM 799 CA TYR A 52 -4.747 -5.761 -10.779 1.00 0.00 C ATOM 800 C TYR A 52 -6.009 -5.337 -11.503 1.00 0.00 C ATOM 801 O TYR A 52 -7.020 -5.025 -10.878 1.00 0.00 O ATOM 802 CB TYR A 52 -3.997 -4.511 -10.316 1.00 0.00 C ATOM 803 CG TYR A 52 -4.945 -3.563 -9.606 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.192 -3.710 -8.237 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.587 -2.547 -10.328 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.077 -2.840 -7.589 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.470 -1.677 -9.678 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.717 -1.825 -8.308 1.00 0.00 C ATOM 809 OH TYR A 52 -7.588 -0.969 -7.668 1.00 0.00 O ATOM 0 H TYR A 52 -2.974 -6.132 -11.836 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.021 -6.376 -9.922 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.184 -4.793 -9.647 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.545 -4.011 -11.173 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.700 -4.494 -7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.400 -2.436 -11.386 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.266 -2.953 -6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.961 -0.891 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.360 -0.795 -8.246 1.00 0.00 H new ATOM 819 N ALA A 53 -5.940 -5.323 -12.819 1.00 0.00 N ATOM 820 CA ALA A 53 -7.084 -4.928 -13.624 1.00 0.00 C ATOM 821 C ALA A 53 -8.081 -6.074 -13.733 1.00 0.00 C ATOM 822 O ALA A 53 -9.214 -5.883 -14.173 1.00 0.00 O ATOM 823 CB ALA A 53 -6.616 -4.521 -15.019 1.00 0.00 C ATOM 0 H ALA A 53 -5.110 -5.579 -13.354 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.574 -4.082 -13.142 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.476 -4.226 -15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.923 -3.683 -14.940 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.114 -5.363 -15.494 1.00 0.00 H new ATOM 829 N GLU A 54 -7.653 -7.270 -13.336 1.00 0.00 N ATOM 830 CA GLU A 54 -8.503 -8.448 -13.390 1.00 0.00 C ATOM 831 C GLU A 54 -9.203 -8.668 -12.058 1.00 0.00 C ATOM 832 O GLU A 54 -10.131 -9.474 -11.965 1.00 0.00 O ATOM 833 CB GLU A 54 -7.637 -9.670 -13.707 1.00 0.00 C ATOM 834 CG GLU A 54 -7.337 -9.739 -15.205 1.00 0.00 C ATOM 835 CD GLU A 54 -6.399 -10.908 -15.489 1.00 0.00 C ATOM 836 OE1 GLU A 54 -6.194 -11.710 -14.592 1.00 0.00 O ATOM 837 OE2 GLU A 54 -5.908 -10.992 -16.603 1.00 0.00 O ATOM 0 H GLU A 54 -6.716 -7.445 -12.972 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.258 -8.303 -14.163 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.704 -9.618 -13.145 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.149 -10.578 -13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.264 -9.859 -15.766 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.882 -8.806 -15.538 1.00 0.00 H new ATOM 844 N LEU A 55 -8.750 -7.962 -11.029 1.00 0.00 N ATOM 845 CA LEU A 55 -9.336 -8.103 -9.704 1.00 0.00 C ATOM 846 C LEU A 55 -10.583 -7.243 -9.568 1.00 0.00 C ATOM 847 O LEU A 55 -10.721 -6.216 -10.236 1.00 0.00 O ATOM 848 CB LEU A 55 -8.293 -7.702 -8.666 1.00 0.00 C ATOM 849 CG LEU A 55 -7.153 -8.739 -8.659 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.988 -8.232 -7.792 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.662 -10.093 -8.108 1.00 0.00 C ATOM 0 H LEU A 55 -7.984 -7.291 -11.086 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.635 -9.139 -9.547 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.898 -6.712 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.751 -7.642 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.805 -8.882 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.186 -8.970 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.615 -7.291 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.336 -8.074 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.846 -10.816 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.026 -9.958 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.473 -10.460 -8.737 1.00 0.00 H new ATOM 863 N ASP A 56 -11.498 -7.681 -8.701 1.00 0.00 N ATOM 864 CA ASP A 56 -12.752 -6.966 -8.475 1.00 0.00 C ATOM 865 C ASP A 56 -12.921 -6.643 -6.978 1.00 0.00 C ATOM 866 O ASP A 56 -12.512 -7.432 -6.125 1.00 0.00 O ATOM 867 CB ASP A 56 -13.916 -7.847 -8.955 1.00 0.00 C ATOM 868 CG ASP A 56 -14.085 -7.728 -10.469 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.017 -6.617 -10.968 1.00 0.00 O ATOM 870 OD2 ASP A 56 -14.287 -8.750 -11.105 1.00 0.00 O ATOM 0 H ASP A 56 -11.392 -8.529 -8.144 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.742 -6.028 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.730 -8.886 -8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.837 -7.548 -8.455 1.00 0.00 H new ATOM 875 N PRO A 57 -13.504 -5.509 -6.639 1.00 0.00 N ATOM 876 CA PRO A 57 -13.699 -5.115 -5.215 1.00 0.00 C ATOM 877 C PRO A 57 -14.385 -6.242 -4.454 1.00 0.00 C ATOM 878 O PRO A 57 -14.461 -6.237 -3.224 1.00 0.00 O ATOM 879 CB PRO A 57 -14.604 -3.856 -5.267 1.00 0.00 C ATOM 880 CG PRO A 57 -14.938 -3.610 -6.716 1.00 0.00 C ATOM 881 CD PRO A 57 -14.021 -4.495 -7.570 1.00 0.00 C ATOM 0 HA PRO A 57 -12.757 -4.914 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.512 -4.010 -4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.091 -2.995 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.984 -3.845 -6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.795 -2.559 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.569 -4.956 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.211 -3.915 -8.012 1.00 0.00 H new ATOM 889 N ALA A 58 -14.892 -7.204 -5.214 1.00 0.00 N ATOM 890 CA ALA A 58 -15.580 -8.350 -4.640 1.00 0.00 C ATOM 891 C ALA A 58 -14.593 -9.270 -3.932 1.00 0.00 C ATOM 892 O ALA A 58 -14.840 -9.736 -2.820 1.00 0.00 O ATOM 893 CB ALA A 58 -16.284 -9.126 -5.756 1.00 0.00 C ATOM 0 H ALA A 58 -14.839 -7.212 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.309 -7.994 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.801 -9.986 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.006 -8.477 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.547 -9.469 -6.482 1.00 0.00 H new ATOM 899 N LYS A 59 -13.478 -9.534 -4.610 1.00 0.00 N ATOM 900 CA LYS A 59 -12.441 -10.416 -4.085 1.00 0.00 C ATOM 901 C LYS A 59 -11.462 -9.652 -3.187 1.00 0.00 C ATOM 902 O LYS A 59 -10.266 -9.595 -3.471 1.00 0.00 O ATOM 903 CB LYS A 59 -11.674 -11.040 -5.259 1.00 0.00 C ATOM 904 CG LYS A 59 -12.603 -11.970 -6.055 1.00 0.00 C ATOM 905 CD LYS A 59 -11.841 -12.582 -7.241 1.00 0.00 C ATOM 906 CE LYS A 59 -12.773 -13.506 -8.030 1.00 0.00 C ATOM 907 NZ LYS A 59 -12.028 -14.098 -9.178 1.00 0.00 N ATOM 0 H LYS A 59 -13.270 -9.146 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.917 -11.192 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.286 -10.256 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.816 -11.600 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.981 -12.761 -5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.467 -11.413 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.462 -11.792 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.977 -13.141 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.153 -14.296 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.636 -12.947 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.660 -14.726 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.686 -13.337 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.218 -14.644 -8.822 1.00 0.00 H new ATOM 921 N ARG A 60 -11.976 -9.061 -2.112 1.00 0.00 N ATOM 922 CA ARG A 60 -11.135 -8.298 -1.191 1.00 0.00 C ATOM 923 C ARG A 60 -10.259 -9.209 -0.323 1.00 0.00 C ATOM 924 O ARG A 60 -9.073 -8.943 -0.138 1.00 0.00 O ATOM 925 CB ARG A 60 -12.018 -7.417 -0.302 1.00 0.00 C ATOM 926 CG ARG A 60 -12.820 -8.300 0.658 1.00 0.00 C ATOM 927 CD ARG A 60 -13.881 -7.463 1.364 1.00 0.00 C ATOM 928 NE ARG A 60 -14.933 -7.097 0.424 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.719 -6.049 0.643 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.193 -4.879 0.870 1.00 0.00 N ATOM 931 NH2 ARG A 60 -17.017 -6.190 0.629 1.00 0.00 N ATOM 0 H ARG A 60 -12.963 -9.094 -1.857 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.467 -7.675 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.401 -6.717 0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.694 -6.823 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.292 -9.115 0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.154 -8.754 1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.305 -8.025 2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.428 -6.565 1.783 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.068 -7.656 -0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.179 -4.769 0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.795 -4.073 1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.429 -7.106 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.619 -5.384 0.797 1.00 0.00 H new ATOM 945 N ARG A 61 -10.848 -10.264 0.233 1.00 0.00 N ATOM 946 CA ARG A 61 -10.094 -11.163 1.106 1.00 0.00 C ATOM 947 C ARG A 61 -8.827 -11.627 0.408 1.00 0.00 C ATOM 948 O ARG A 61 -7.724 -11.562 0.964 1.00 0.00 O ATOM 949 CB ARG A 61 -10.941 -12.389 1.430 1.00 0.00 C ATOM 950 CG ARG A 61 -12.207 -11.963 2.172 1.00 0.00 C ATOM 951 CD ARG A 61 -13.076 -13.192 2.437 1.00 0.00 C ATOM 952 NE ARG A 61 -12.418 -14.077 3.392 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.955 -15.243 3.737 1.00 0.00 C ATOM 954 NH1 ARG A 61 -13.114 -16.178 2.843 1.00 0.00 N ATOM 955 NH2 ARG A 61 -13.324 -15.453 4.973 1.00 0.00 N ATOM 0 H ARG A 61 -11.827 -10.516 0.099 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.837 -10.627 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.206 -12.912 0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.368 -13.087 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.945 -11.479 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.760 -11.233 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.047 -12.883 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.260 -13.724 1.504 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.528 -13.795 3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.826 -16.015 1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.526 -17.073 3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.200 -14.722 5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.736 -16.348 5.237 1.00 0.00 H new ATOM 969 N HIS A 62 -8.996 -12.071 -0.825 1.00 0.00 N ATOM 970 CA HIS A 62 -7.882 -12.537 -1.626 1.00 0.00 C ATOM 971 C HIS A 62 -6.943 -11.380 -1.962 1.00 0.00 C ATOM 972 O HIS A 62 -5.732 -11.561 -2.049 1.00 0.00 O ATOM 973 CB HIS A 62 -8.419 -13.159 -2.916 1.00 0.00 C ATOM 974 CG HIS A 62 -8.993 -14.521 -2.624 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.193 -15.604 -2.295 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.283 -14.992 -2.609 1.00 0.00 C ATOM 977 CE1 HIS A 62 -8.999 -16.663 -2.102 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.284 -16.345 -2.280 1.00 0.00 N ATOM 0 H HIS A 62 -9.901 -12.118 -1.294 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.322 -13.282 -1.060 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.185 -12.516 -3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.619 -13.241 -3.652 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.163 -14.403 -2.820 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.650 -17.650 -1.836 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.092 -16.961 -2.194 1.00 0.00 H new ATOM 986 N ASN A 63 -7.515 -10.198 -2.155 1.00 0.00 N ATOM 987 CA ASN A 63 -6.729 -9.010 -2.492 1.00 0.00 C ATOM 988 C ASN A 63 -5.751 -8.685 -1.378 1.00 0.00 C ATOM 989 O ASN A 63 -4.583 -8.391 -1.623 1.00 0.00 O ATOM 990 CB ASN A 63 -7.669 -7.819 -2.692 1.00 0.00 C ATOM 991 CG ASN A 63 -6.921 -6.618 -3.266 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.226 -5.910 -2.538 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.033 -6.341 -4.534 1.00 0.00 N ATOM 0 H ASN A 63 -8.519 -10.033 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.172 -9.209 -3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.480 -8.101 -3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.124 -7.547 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.544 -5.536 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.610 -6.929 -5.136 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.221 -8.771 -0.146 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.350 -8.495 0.985 1.00 0.00 C ATOM 1002 C PHE A 64 -4.254 -9.557 1.058 1.00 0.00 C ATOM 1003 O PHE A 64 -3.067 -9.237 1.000 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.157 -8.462 2.288 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.942 -7.163 2.375 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.277 -5.956 2.635 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.333 -7.166 2.201 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.999 -4.759 2.716 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -9.053 -5.967 2.284 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.386 -4.764 2.540 1.00 0.00 C ATOM 0 H PHE A 64 -7.179 -9.024 0.095 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.888 -7.517 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.838 -9.312 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.487 -8.551 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.206 -5.950 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.850 -8.093 2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.484 -3.831 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.125 -5.971 2.150 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.942 -3.840 2.602 1.00 0.00 H new ATOM 1020 N THR A 65 -4.659 -10.819 1.162 1.00 0.00 N ATOM 1021 CA THR A 65 -3.685 -11.906 1.221 1.00 0.00 C ATOM 1022 C THR A 65 -2.707 -11.778 0.062 1.00 0.00 C ATOM 1023 O THR A 65 -1.505 -11.993 0.218 1.00 0.00 O ATOM 1024 CB THR A 65 -4.378 -13.269 1.139 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.475 -13.303 2.040 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.376 -14.368 1.506 1.00 0.00 C ATOM 0 H THR A 65 -5.635 -11.112 1.207 1.00 0.00 H new ATOM 0 HA THR A 65 -3.155 -11.837 2.171 1.00 0.00 H new ATOM 0 HB THR A 65 -4.743 -13.432 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.253 -12.876 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.865 -15.340 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.537 -14.343 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.012 -14.204 2.520 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.244 -11.441 -1.102 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.437 -11.291 -2.304 1.00 0.00 C ATOM 1036 C LEU A 66 -1.389 -10.203 -2.131 1.00 0.00 C ATOM 1037 O LEU A 66 -0.212 -10.414 -2.418 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.360 -10.925 -3.462 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.572 -10.684 -4.753 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.757 -11.932 -5.122 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.570 -10.374 -5.869 1.00 0.00 C ATOM 0 H LEU A 66 -4.239 -11.266 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.919 -12.229 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.083 -11.726 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.927 -10.029 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.882 -9.852 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.202 -11.746 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.059 -12.162 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.431 -12.776 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.031 -10.198 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.248 -11.218 -5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.143 -9.484 -5.608 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.817 -9.034 -1.673 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.888 -7.941 -1.492 1.00 0.00 C ATOM 1055 C ALA A 67 0.192 -8.340 -0.507 1.00 0.00 C ATOM 1056 O ALA A 67 1.361 -7.988 -0.671 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.617 -6.711 -0.975 1.00 0.00 C ATOM 0 H ALA A 67 -2.784 -8.826 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.433 -7.707 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.906 -5.895 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.382 -6.413 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.086 -6.941 -0.019 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.205 -9.083 0.516 1.00 0.00 N ATOM 1064 CA PHE A 68 0.739 -9.529 1.525 1.00 0.00 C ATOM 1065 C PHE A 68 1.557 -10.717 1.014 1.00 0.00 C ATOM 1066 O PHE A 68 2.779 -10.743 1.161 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.006 -9.898 2.814 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.659 -8.658 3.413 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.131 -7.579 3.836 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.055 -8.592 3.555 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.470 -6.441 4.393 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.654 -7.452 4.115 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.861 -6.378 4.532 1.00 0.00 C ATOM 0 H PHE A 68 -1.167 -9.387 0.667 1.00 0.00 H new ATOM 0 HA PHE A 68 1.430 -8.714 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.764 -10.652 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.688 -10.336 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.205 -7.625 3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.669 -9.420 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.142 -5.612 4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.727 -7.405 4.224 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.322 -5.501 4.961 1.00 0.00 H new ATOM 1083 N SER A 69 0.889 -11.696 0.407 1.00 0.00 N ATOM 1084 CA SER A 69 1.591 -12.865 -0.118 1.00 0.00 C ATOM 1085 C SER A 69 2.525 -12.466 -1.255 1.00 0.00 C ATOM 1086 O SER A 69 3.550 -13.110 -1.478 1.00 0.00 O ATOM 1087 CB SER A 69 0.594 -13.911 -0.614 1.00 0.00 C ATOM 1088 OG SER A 69 -0.041 -14.519 0.502 1.00 0.00 O ATOM 0 H SER A 69 -0.121 -11.705 0.268 1.00 0.00 H new ATOM 0 HA SER A 69 2.183 -13.294 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.149 -13.444 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.107 -14.665 -1.211 1.00 0.00 H new ATOM 0 HG SER A 69 -0.560 -15.294 0.201 1.00 0.00 H new ATOM 1094 N THR A 70 2.188 -11.385 -1.954 1.00 0.00 N ATOM 1095 CA THR A 70 3.043 -10.906 -3.033 1.00 0.00 C ATOM 1096 C THR A 70 4.246 -10.163 -2.465 1.00 0.00 C ATOM 1097 O THR A 70 5.385 -10.399 -2.870 1.00 0.00 O ATOM 1098 CB THR A 70 2.270 -9.990 -3.983 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.093 -10.652 -4.426 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.154 -9.648 -5.181 1.00 0.00 C ATOM 0 H THR A 70 1.344 -10.834 -1.796 1.00 0.00 H new ATOM 0 HA THR A 70 3.389 -11.773 -3.596 1.00 0.00 H new ATOM 0 HB THR A 70 1.991 -9.073 -3.465 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.325 -10.338 -3.904 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.608 -8.995 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.055 -9.140 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.431 -10.564 -5.702 1.00 0.00 H new ATOM 1108 N ALA A 71 3.984 -9.260 -1.525 1.00 0.00 N ATOM 1109 CA ALA A 71 5.053 -8.484 -0.910 1.00 0.00 C ATOM 1110 C ALA A 71 6.013 -9.389 -0.146 1.00 0.00 C ATOM 1111 O ALA A 71 7.218 -9.134 -0.107 1.00 0.00 O ATOM 1112 CB ALA A 71 4.472 -7.436 0.044 1.00 0.00 C ATOM 0 H ALA A 71 3.049 -9.049 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 71 5.602 -7.982 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.284 -6.865 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.818 -6.762 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.900 -7.934 0.827 1.00 0.00 H new ATOM 1118 N GLU A 72 5.480 -10.442 0.465 1.00 0.00 N ATOM 1119 CA GLU A 72 6.318 -11.362 1.221 1.00 0.00 C ATOM 1120 C GLU A 72 7.134 -12.249 0.281 1.00 0.00 C ATOM 1121 O GLU A 72 8.340 -12.396 0.438 1.00 0.00 O ATOM 1122 CB GLU A 72 5.452 -12.235 2.141 1.00 0.00 C ATOM 1123 CG GLU A 72 6.349 -13.153 2.982 1.00 0.00 C ATOM 1124 CD GLU A 72 5.501 -13.980 3.943 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.294 -14.001 3.772 1.00 0.00 O ATOM 1126 OE2 GLU A 72 6.074 -14.580 4.839 1.00 0.00 O ATOM 0 H GLU A 72 4.487 -10.676 0.452 1.00 0.00 H new ATOM 0 HA GLU A 72 7.006 -10.775 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.848 -11.604 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.761 -12.832 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.920 -13.813 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.069 -12.557 3.542 1.00 0.00 H new ATOM 1133 N LYS A 73 6.479 -12.855 -0.695 1.00 0.00 N ATOM 1134 CA LYS A 73 7.190 -13.735 -1.609 1.00 0.00 C ATOM 1135 C LYS A 73 8.313 -12.977 -2.315 1.00 0.00 C ATOM 1136 O LYS A 73 9.418 -13.497 -2.472 1.00 0.00 O ATOM 1137 CB LYS A 73 6.211 -14.309 -2.645 1.00 0.00 C ATOM 1138 CG LYS A 73 6.919 -15.342 -3.539 1.00 0.00 C ATOM 1139 CD LYS A 73 5.928 -15.925 -4.563 1.00 0.00 C ATOM 1140 CE LYS A 73 6.641 -16.968 -5.434 1.00 0.00 C ATOM 1141 NZ LYS A 73 7.679 -16.295 -6.265 1.00 0.00 N ATOM 0 H LYS A 73 5.479 -12.758 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 73 7.629 -14.553 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.367 -14.776 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.808 -13.503 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.755 -14.873 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.333 -16.142 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.084 -16.383 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.525 -15.128 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.101 -17.730 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.920 -17.476 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.947 -16.915 -7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.299 -15.402 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.517 -16.097 -5.681 1.00 0.00 H new ATOM 1155 N LEU A 74 8.019 -11.756 -2.755 1.00 0.00 N ATOM 1156 CA LEU A 74 9.003 -10.949 -3.467 1.00 0.00 C ATOM 1157 C LEU A 74 10.019 -10.285 -2.537 1.00 0.00 C ATOM 1158 O LEU A 74 11.221 -10.382 -2.779 1.00 0.00 O ATOM 1159 CB LEU A 74 8.280 -9.866 -4.274 1.00 0.00 C ATOM 1160 CG LEU A 74 7.340 -10.505 -5.315 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.558 -9.402 -6.035 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.153 -11.310 -6.349 1.00 0.00 C ATOM 0 H LEU A 74 7.112 -11.307 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 74 9.556 -11.623 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.707 -9.226 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.009 -9.230 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 74 6.652 -11.178 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.892 -9.850 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.970 -8.840 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.255 -8.730 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.476 -11.755 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.850 -10.646 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.709 -12.098 -5.841 1.00 0.00 H new ATOM 1174 N ALA A 75 9.554 -9.575 -1.502 1.00 0.00 N ATOM 1175 CA ALA A 75 10.477 -8.865 -0.597 1.00 0.00 C ATOM 1176 C ALA A 75 10.460 -9.413 0.825 1.00 0.00 C ATOM 1177 O ALA A 75 11.080 -8.825 1.712 1.00 0.00 O ATOM 1178 CB ALA A 75 10.107 -7.383 -0.565 1.00 0.00 C ATOM 0 H ALA A 75 8.566 -9.475 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 75 11.484 -9.013 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.786 -6.853 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.186 -6.966 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.084 -7.271 -0.206 1.00 0.00 H new ATOM 1184 N ASP A 76 9.784 -10.535 1.058 1.00 0.00 N ATOM 1185 CA ASP A 76 9.756 -11.101 2.406 1.00 0.00 C ATOM 1186 C ASP A 76 9.494 -9.998 3.428 1.00 0.00 C ATOM 1187 O ASP A 76 10.149 -9.927 4.467 1.00 0.00 O ATOM 1188 CB ASP A 76 11.088 -11.783 2.693 1.00 0.00 C ATOM 1189 CG ASP A 76 11.311 -12.925 1.703 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.337 -13.545 1.310 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.457 -13.165 1.357 1.00 0.00 O ATOM 0 H ASP A 76 9.262 -11.058 0.355 1.00 0.00 H new ATOM 0 HA ASP A 76 8.955 -11.836 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.900 -11.060 2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.098 -12.167 3.713 1.00 0.00 H new ATOM 1196 N CYS A 77 8.545 -9.131 3.094 1.00 0.00 N ATOM 1197 CA CYS A 77 8.183 -7.997 3.943 1.00 0.00 C ATOM 1198 C CYS A 77 7.950 -8.407 5.400 1.00 0.00 C ATOM 1199 O CYS A 77 8.286 -9.513 5.819 1.00 0.00 O ATOM 1200 CB CYS A 77 6.915 -7.339 3.389 1.00 0.00 C ATOM 1201 SG CYS A 77 5.479 -8.372 3.773 1.00 0.00 S ATOM 0 H CYS A 77 8.005 -9.192 2.231 1.00 0.00 H new ATOM 0 HA CYS A 77 9.018 -7.297 3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.789 -6.347 3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 77 7.003 -7.207 2.311 1.00 0.00 H new ATOM 0 HG CYS A 77 5.386 -8.525 5.061 1.00 0.00 H new ATOM 1207 N ALA A 78 7.356 -7.483 6.154 1.00 0.00 N ATOM 1208 CA ALA A 78 7.052 -7.709 7.566 1.00 0.00 C ATOM 1209 C ALA A 78 5.682 -8.372 7.713 1.00 0.00 C ATOM 1210 O ALA A 78 4.950 -8.522 6.737 1.00 0.00 O ATOM 1211 CB ALA A 78 7.064 -6.372 8.318 1.00 0.00 C ATOM 0 H ALA A 78 7.074 -6.566 5.808 1.00 0.00 H new ATOM 0 HA ALA A 78 7.810 -8.369 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.837 -6.544 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.049 -5.914 8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.314 -5.707 7.889 1.00 0.00 H new ATOM 1217 N GLN A 79 5.343 -8.768 8.939 1.00 0.00 N ATOM 1218 CA GLN A 79 4.057 -9.416 9.218 1.00 0.00 C ATOM 1219 C GLN A 79 3.353 -8.695 10.355 1.00 0.00 C ATOM 1220 O GLN A 79 3.234 -9.228 11.458 1.00 0.00 O ATOM 1221 CB GLN A 79 4.294 -10.873 9.609 1.00 0.00 C ATOM 1222 CG GLN A 79 4.762 -11.652 8.381 1.00 0.00 C ATOM 1223 CD GLN A 79 5.134 -13.077 8.777 1.00 0.00 C ATOM 1224 OE1 GLN A 79 6.060 -13.283 9.562 1.00 0.00 O ATOM 1225 NE2 GLN A 79 4.468 -14.080 8.274 1.00 0.00 N ATOM 0 H GLN A 79 5.940 -8.652 9.758 1.00 0.00 H new ATOM 0 HA GLN A 79 3.433 -9.375 8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.042 -10.933 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.377 -11.310 10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.973 -11.669 7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.621 -11.155 7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.701 -13.908 7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.714 -15.036 8.531 1.00 0.00 H new ATOM 1234 N LEU A 80 2.915 -7.464 10.093 1.00 0.00 N ATOM 1235 CA LEU A 80 2.251 -6.665 11.125 1.00 0.00 C ATOM 1236 C LEU A 80 0.727 -6.664 10.947 1.00 0.00 C ATOM 1237 O LEU A 80 -0.007 -6.462 11.915 1.00 0.00 O ATOM 1238 CB LEU A 80 2.741 -5.203 11.059 1.00 0.00 C ATOM 1239 CG LEU A 80 4.221 -5.135 10.676 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.655 -3.671 10.681 1.00 0.00 C ATOM 1241 CD2 LEU A 80 5.073 -5.906 11.679 1.00 0.00 C ATOM 0 H LEU A 80 3.005 -7.002 9.188 1.00 0.00 H new ATOM 0 HA LEU A 80 2.499 -7.113 12.087 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.148 -4.650 10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.590 -4.721 12.025 1.00 0.00 H new ATOM 0 HG LEU A 80 4.356 -5.578 9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.709 -3.603 10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.058 -3.112 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.509 -3.251 11.676 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.122 -5.845 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.946 -5.474 12.672 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.761 -6.950 11.695 1.00 0.00 H new ATOM 1253 N LEU A 81 0.252 -6.866 9.711 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.201 -6.852 9.433 1.00 0.00 C ATOM 1255 C LEU A 81 -1.701 -8.209 8.946 1.00 0.00 C ATOM 1256 O LEU A 81 -1.028 -8.905 8.190 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.531 -5.799 8.354 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.664 -4.557 8.531 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -0.956 -3.562 7.403 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -0.987 -3.899 9.866 1.00 0.00 C ATOM 0 H LEU A 81 0.838 -7.039 8.894 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.699 -6.607 10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.369 -6.223 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.584 -5.525 8.416 1.00 0.00 H new ATOM 0 HG LEU A 81 0.387 -4.846 8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.336 -2.675 7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.733 -4.026 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.008 -3.277 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.368 -3.011 9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.039 -3.614 9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.786 -4.601 10.676 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.911 -8.558 9.385 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.551 -9.816 9.002 1.00 0.00 C ATOM 1274 C GLU A 82 -4.757 -9.556 8.105 1.00 0.00 C ATOM 1275 O GLU A 82 -5.489 -8.588 8.300 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.991 -10.570 10.251 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.751 -11.075 10.992 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.157 -11.775 12.284 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.348 -11.917 12.507 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.274 -12.154 13.032 1.00 0.00 O ATOM 0 H GLU A 82 -3.471 -7.981 10.012 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.830 -10.418 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.576 -9.917 10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.633 -11.407 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.194 -11.764 10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.087 -10.240 11.216 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.953 -10.436 7.129 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.056 -10.313 6.187 1.00 0.00 C ATOM 1289 C VAL A 83 -7.400 -10.295 6.912 1.00 0.00 C ATOM 1290 O VAL A 83 -8.239 -9.425 6.672 1.00 0.00 O ATOM 1291 CB VAL A 83 -5.997 -11.519 5.246 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.254 -11.571 4.370 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.726 -11.433 4.382 1.00 0.00 C ATOM 0 H VAL A 83 -4.356 -11.248 6.970 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.965 -9.377 5.636 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.960 -12.437 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.199 -12.433 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.136 -11.657 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.322 -10.659 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.683 -12.291 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.746 -10.515 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.847 -11.432 5.027 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.607 -11.274 7.776 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.862 -11.384 8.509 1.00 0.00 C ATOM 1305 C ASP A 84 -9.182 -10.087 9.242 1.00 0.00 C ATOM 1306 O ASP A 84 -10.321 -9.619 9.221 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.765 -12.531 9.511 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.782 -13.866 8.776 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.110 -13.869 7.601 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.459 -14.866 9.396 1.00 0.00 O ATOM 0 H ASP A 84 -6.926 -12.003 7.989 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.664 -11.580 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.849 -12.439 10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.597 -12.483 10.214 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.184 -9.517 9.902 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.386 -8.282 10.647 1.00 0.00 C ATOM 1317 C ASP A 85 -8.863 -7.187 9.713 1.00 0.00 C ATOM 1318 O ASP A 85 -9.803 -6.461 10.027 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.066 -7.861 11.307 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.872 -8.602 12.628 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.771 -9.326 13.023 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.827 -8.432 13.228 1.00 0.00 O ATOM 0 H ASP A 85 -7.234 -9.886 9.937 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.141 -8.446 11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.233 -8.074 10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.067 -6.785 11.483 1.00 0.00 H new ATOM 1327 N MET A 86 -8.230 -7.091 8.555 1.00 0.00 N ATOM 1328 CA MET A 86 -8.628 -6.095 7.572 1.00 0.00 C ATOM 1329 C MET A 86 -10.058 -6.348 7.113 1.00 0.00 C ATOM 1330 O MET A 86 -10.881 -5.435 7.043 1.00 0.00 O ATOM 1331 CB MET A 86 -7.677 -6.167 6.357 1.00 0.00 C ATOM 1332 CG MET A 86 -6.706 -4.976 6.347 1.00 0.00 C ATOM 1333 SD MET A 86 -5.225 -5.425 5.418 1.00 0.00 S ATOM 1334 CE MET A 86 -4.582 -6.627 6.608 1.00 0.00 C ATOM 0 H MET A 86 -7.448 -7.682 8.274 1.00 0.00 H new ATOM 0 HA MET A 86 -8.573 -5.106 8.027 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.114 -7.100 6.386 1.00 0.00 H new ATOM 0 HB3 MET A 86 -8.259 -6.174 5.435 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.183 -4.106 5.895 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.440 -4.700 7.367 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.521 -6.442 6.775 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.120 -6.529 7.551 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.717 -7.635 6.216 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.319 -7.603 6.799 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.626 -8.018 6.332 1.00 0.00 C ATOM 1346 C VAL A 87 -12.678 -7.789 7.408 1.00 0.00 C ATOM 1347 O VAL A 87 -13.770 -7.296 7.124 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.577 -9.498 5.953 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.987 -9.998 5.620 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.661 -9.676 4.736 1.00 0.00 C ATOM 0 H VAL A 87 -9.636 -8.358 6.860 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.898 -7.424 5.459 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.187 -10.076 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.945 -11.053 5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.633 -9.871 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.388 -9.426 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.622 -10.730 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.051 -9.097 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.658 -9.328 4.982 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.348 -8.145 8.645 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.270 -7.973 9.750 1.00 0.00 C ATOM 1362 C ARG A 88 -13.422 -6.503 10.138 1.00 0.00 C ATOM 1363 O ARG A 88 -14.535 -6.014 10.325 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.741 -8.784 10.947 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.396 -8.304 12.242 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.086 -9.268 13.378 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.708 -8.792 14.612 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.146 -9.006 15.796 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.863 -8.813 15.951 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.872 -9.408 16.800 1.00 0.00 N ATOM 0 H ARG A 88 -11.449 -8.553 8.902 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.256 -8.328 9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.948 -9.844 10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.658 -8.678 11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.034 -7.307 12.493 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.475 -8.227 12.105 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.456 -10.264 13.134 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.008 -9.352 13.512 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.592 -8.285 14.563 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.296 -8.499 15.164 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.429 -8.977 16.859 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.873 -9.559 16.677 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.439 -9.572 17.709 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.296 -5.828 10.301 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.322 -4.434 10.706 1.00 0.00 C ATOM 1386 C LEU A 89 -12.904 -3.572 9.598 1.00 0.00 C ATOM 1387 O LEU A 89 -13.740 -2.701 9.845 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.899 -3.961 11.021 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.357 -4.671 12.276 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.848 -4.418 12.390 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -11.054 -4.139 13.542 1.00 0.00 C ATOM 0 H LEU A 89 -11.364 -6.217 10.161 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.946 -4.341 11.595 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.246 -4.163 10.172 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.895 -2.882 11.176 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.554 -5.739 12.186 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.461 -4.919 13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.346 -4.808 11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.664 -3.347 12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.658 -4.652 14.418 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.871 -3.068 13.635 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.127 -4.319 13.470 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.405 -3.788 8.386 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.829 -2.986 7.248 1.00 0.00 C ATOM 1405 C ALA A 90 -12.549 -1.532 7.593 1.00 0.00 C ATOM 1406 O ALA A 90 -13.219 -0.617 7.119 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.321 -3.190 6.956 1.00 0.00 C ATOM 0 H ALA A 90 -11.713 -4.505 8.169 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.285 -3.284 6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.611 -2.579 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.508 -4.240 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.906 -2.896 7.827 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.521 -1.365 8.430 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.072 -0.056 8.902 1.00 0.00 C ATOM 1415 C VAL A 91 -9.667 -0.181 9.511 1.00 0.00 C ATOM 1416 O VAL A 91 -9.534 -0.404 10.713 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.039 0.474 9.984 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.454 1.738 10.638 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.403 0.811 9.358 1.00 0.00 C ATOM 0 H VAL A 91 -10.974 -2.142 8.801 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.052 0.634 8.059 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.171 -0.299 10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.142 2.105 11.400 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.496 1.499 11.099 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.309 2.507 9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.076 1.183 10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.273 1.575 8.591 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.828 -0.086 8.908 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.623 -0.042 8.727 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.232 -0.145 9.245 1.00 0.00 C ATOM 1431 C PRO A 92 -6.866 1.063 10.104 1.00 0.00 C ATOM 1432 O PRO A 92 -7.714 1.898 10.414 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.339 -0.245 7.986 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.263 -0.220 6.796 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.648 0.229 7.284 1.00 0.00 C ATOM 0 HA PRO A 92 -7.104 -1.010 9.896 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.633 0.585 7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.751 -1.163 8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.887 0.463 6.035 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.321 -1.207 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.820 1.286 7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.445 -0.325 6.788 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.592 1.146 10.473 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.100 2.255 11.285 1.00 0.00 C ATOM 1445 C ASP A 93 -3.940 2.951 10.582 1.00 0.00 C ATOM 1446 O ASP A 93 -3.013 2.305 10.093 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.673 1.743 12.660 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.907 1.358 13.471 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -7.002 1.640 13.013 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.739 0.786 14.536 1.00 0.00 O ATOM 0 H ASP A 93 -4.881 0.459 10.223 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.901 2.982 11.419 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.015 0.881 12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.106 2.512 13.185 1.00 0.00 H new ATOM 1455 N SER A 94 -4.018 4.274 10.517 1.00 0.00 N ATOM 1456 CA SER A 94 -2.992 5.067 9.848 1.00 0.00 C ATOM 1457 C SER A 94 -1.603 4.667 10.314 1.00 0.00 C ATOM 1458 O SER A 94 -0.641 4.708 9.546 1.00 0.00 O ATOM 1459 CB SER A 94 -3.215 6.550 10.143 1.00 0.00 C ATOM 1460 OG SER A 94 -3.178 6.760 11.547 1.00 0.00 O ATOM 0 H SER A 94 -4.780 4.821 10.918 1.00 0.00 H new ATOM 0 HA SER A 94 -3.065 4.884 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.447 7.149 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.175 6.872 9.741 1.00 0.00 H new ATOM 0 HG SER A 94 -3.319 7.711 11.739 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.507 4.260 11.567 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.234 3.835 12.116 1.00 0.00 C ATOM 1468 C LYS A 95 0.139 2.458 11.593 1.00 0.00 C ATOM 1469 O LYS A 95 1.314 2.160 11.375 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.312 3.791 13.638 1.00 0.00 C ATOM 1471 CG LYS A 95 1.104 3.642 14.236 1.00 0.00 C ATOM 1472 CD LYS A 95 1.751 5.027 14.389 1.00 0.00 C ATOM 1473 CE LYS A 95 3.107 4.891 15.077 1.00 0.00 C ATOM 1474 NZ LYS A 95 4.051 4.177 14.173 1.00 0.00 N ATOM 0 H LYS A 95 -2.290 4.215 12.219 1.00 0.00 H new ATOM 0 HA LYS A 95 0.528 4.551 11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.780 4.701 14.013 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.939 2.957 13.954 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.049 3.147 15.205 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.717 3.013 13.591 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.874 5.491 13.410 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.101 5.680 14.972 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.501 5.876 15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.999 4.344 16.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.022 4.289 14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.807 3.166 14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.984 4.577 13.215 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.868 1.610 11.410 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.626 0.260 10.931 1.00 0.00 C ATOM 1490 C CYS A 96 -0.105 0.280 9.497 1.00 0.00 C ATOM 1491 O CYS A 96 0.930 -0.309 9.188 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.927 -0.557 10.992 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.116 -1.279 12.639 1.00 0.00 S ATOM 0 H CYS A 96 -1.848 1.833 11.585 1.00 0.00 H new ATOM 0 HA CYS A 96 0.127 -0.201 11.571 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.780 0.082 10.764 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.909 -1.345 10.239 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.218 -1.967 12.687 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.841 0.965 8.631 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.461 1.072 7.234 1.00 0.00 C ATOM 1501 C VAL A 97 0.873 1.775 7.139 1.00 0.00 C ATOM 1502 O VAL A 97 1.755 1.375 6.381 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.505 1.878 6.463 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.066 2.026 5.004 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.857 1.166 6.526 1.00 0.00 C ATOM 0 H VAL A 97 -1.703 1.453 8.874 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.393 0.072 6.805 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.600 2.867 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.812 2.601 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.107 2.543 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.965 1.039 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.599 1.744 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.767 0.174 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.170 1.071 7.566 1.00 0.00 H new ATOM 1515 N TYR A 98 1.013 2.834 7.921 1.00 0.00 N ATOM 1516 CA TYR A 98 2.241 3.599 7.929 1.00 0.00 C ATOM 1517 C TYR A 98 3.403 2.713 8.336 1.00 0.00 C ATOM 1518 O TYR A 98 4.432 2.672 7.662 1.00 0.00 O ATOM 1519 CB TYR A 98 2.104 4.756 8.926 1.00 0.00 C ATOM 1520 CG TYR A 98 3.437 5.445 9.096 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.410 4.882 9.932 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.701 6.637 8.419 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.649 5.511 10.083 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.942 7.269 8.575 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.915 6.704 9.406 1.00 0.00 C ATOM 1526 OH TYR A 98 7.139 7.321 9.550 1.00 0.00 O ATOM 0 H TYR A 98 0.292 3.179 8.555 1.00 0.00 H new ATOM 0 HA TYR A 98 2.429 3.991 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.359 5.468 8.571 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.753 4.380 9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.203 3.963 10.459 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.950 7.071 7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.401 5.075 10.723 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.147 8.192 8.054 1.00 0.00 H new ATOM 0 HH TYR A 98 7.807 6.661 9.830 1.00 0.00 H new ATOM 1536 N THR A 99 3.237 2.012 9.449 1.00 0.00 N ATOM 1537 CA THR A 99 4.290 1.147 9.941 1.00 0.00 C ATOM 1538 C THR A 99 4.639 0.108 8.884 1.00 0.00 C ATOM 1539 O THR A 99 5.811 -0.156 8.618 1.00 0.00 O ATOM 1540 CB THR A 99 3.836 0.440 11.222 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.484 1.415 12.194 1.00 0.00 O ATOM 1542 CG2 THR A 99 4.982 -0.420 11.764 1.00 0.00 C ATOM 0 H THR A 99 2.392 2.027 10.020 1.00 0.00 H new ATOM 0 HA THR A 99 5.169 1.753 10.160 1.00 0.00 H new ATOM 0 HB THR A 99 2.976 -0.193 11.004 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.518 1.578 12.159 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.660 -0.923 12.676 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.263 -1.164 11.018 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.840 0.215 11.984 1.00 0.00 H new ATOM 1550 N TYR A 100 3.618 -0.481 8.279 1.00 0.00 N ATOM 1551 CA TYR A 100 3.826 -1.488 7.247 1.00 0.00 C ATOM 1552 C TYR A 100 4.591 -0.889 6.075 1.00 0.00 C ATOM 1553 O TYR A 100 5.586 -1.441 5.608 1.00 0.00 O ATOM 1554 CB TYR A 100 2.465 -1.958 6.746 1.00 0.00 C ATOM 1555 CG TYR A 100 2.653 -3.139 5.834 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.873 -2.938 4.468 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.599 -4.434 6.353 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.041 -4.039 3.619 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.770 -5.535 5.508 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.990 -5.338 4.138 1.00 0.00 C ATOM 1561 OH TYR A 100 3.158 -6.422 3.302 1.00 0.00 O ATOM 0 H TYR A 100 2.639 -0.280 8.484 1.00 0.00 H new ATOM 0 HA TYR A 100 4.396 -2.318 7.664 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.829 -2.232 7.588 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.961 -1.150 6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.913 -1.935 4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.425 -4.586 7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.210 -3.886 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.733 -6.536 5.911 1.00 0.00 H new ATOM 0 HH TYR A 100 3.775 -7.061 3.715 1.00 0.00 H new ATOM 1571 N ILE A 101 4.100 0.257 5.615 1.00 0.00 N ATOM 1572 CA ILE A 101 4.709 0.966 4.501 1.00 0.00 C ATOM 1573 C ILE A 101 6.140 1.343 4.872 1.00 0.00 C ATOM 1574 O ILE A 101 7.054 1.256 4.054 1.00 0.00 O ATOM 1575 CB ILE A 101 3.892 2.233 4.178 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.502 1.845 3.617 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.645 3.102 3.163 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.563 1.557 2.107 1.00 0.00 C ATOM 0 H ILE A 101 3.275 0.716 6.002 1.00 0.00 H new ATOM 0 HA ILE A 101 4.721 0.325 3.619 1.00 0.00 H new ATOM 0 HB ILE A 101 3.753 2.803 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.130 0.965 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.794 2.652 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.059 3.994 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.609 3.395 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.803 2.535 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.570 1.288 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.911 2.446 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.252 0.733 1.921 1.00 0.00 H new ATOM 1590 N GLN A 102 6.310 1.763 6.120 1.00 0.00 N ATOM 1591 CA GLN A 102 7.620 2.157 6.624 1.00 0.00 C ATOM 1592 C GLN A 102 8.658 1.087 6.330 1.00 0.00 C ATOM 1593 O GLN A 102 9.643 1.327 5.628 1.00 0.00 O ATOM 1594 CB GLN A 102 7.549 2.366 8.137 1.00 0.00 C ATOM 1595 CG GLN A 102 8.790 3.128 8.605 1.00 0.00 C ATOM 1596 CD GLN A 102 8.693 3.424 10.097 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.688 4.588 10.497 1.00 0.00 O ATOM 1598 NE2 GLN A 102 8.621 2.438 10.949 1.00 0.00 N ATOM 0 H GLN A 102 5.556 1.840 6.802 1.00 0.00 H new ATOM 0 HA GLN A 102 7.909 3.083 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.648 2.922 8.396 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.487 1.404 8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.685 2.541 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.886 4.060 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.625 1.474 10.615 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.560 2.631 11.949 1.00 0.00 H new ATOM 1607 N GLU A 103 8.438 -0.093 6.896 1.00 0.00 N ATOM 1608 CA GLU A 103 9.377 -1.185 6.704 1.00 0.00 C ATOM 1609 C GLU A 103 9.517 -1.488 5.219 1.00 0.00 C ATOM 1610 O GLU A 103 10.627 -1.667 4.704 1.00 0.00 O ATOM 1611 CB GLU A 103 8.887 -2.426 7.457 1.00 0.00 C ATOM 1612 CG GLU A 103 10.041 -3.418 7.632 1.00 0.00 C ATOM 1613 CD GLU A 103 10.446 -3.987 6.277 1.00 0.00 C ATOM 1614 OE1 GLU A 103 9.562 -4.360 5.524 1.00 0.00 O ATOM 1615 OE2 GLU A 103 11.635 -4.034 6.009 1.00 0.00 O ATOM 0 H GLU A 103 7.632 -0.314 7.481 1.00 0.00 H new ATOM 0 HA GLU A 103 10.352 -0.898 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.492 -2.139 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.071 -2.897 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.892 -2.921 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.740 -4.225 8.300 1.00 0.00 H new ATOM 1622 N LEU A 104 8.385 -1.552 4.538 1.00 0.00 N ATOM 1623 CA LEU A 104 8.365 -1.838 3.116 1.00 0.00 C ATOM 1624 C LEU A 104 9.132 -0.780 2.337 1.00 0.00 C ATOM 1625 O LEU A 104 9.929 -1.098 1.457 1.00 0.00 O ATOM 1626 CB LEU A 104 6.914 -1.826 2.653 1.00 0.00 C ATOM 1627 CG LEU A 104 6.793 -2.199 1.169 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.265 -3.643 0.940 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.325 -2.067 0.746 1.00 0.00 C ATOM 0 H LEU A 104 7.464 -1.409 4.951 1.00 0.00 H new ATOM 0 HA LEU A 104 8.833 -2.807 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.334 -2.526 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.487 -0.836 2.816 1.00 0.00 H new ATOM 0 HG LEU A 104 7.418 -1.531 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.173 -3.893 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.307 -3.738 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.650 -4.324 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.225 -2.329 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.711 -2.738 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.994 -1.040 0.897 1.00 0.00 H new ATOM 1641 N TYR A 105 8.885 0.476 2.678 1.00 0.00 N ATOM 1642 CA TYR A 105 9.539 1.588 2.007 1.00 0.00 C ATOM 1643 C TYR A 105 11.036 1.374 2.018 1.00 0.00 C ATOM 1644 O TYR A 105 11.718 1.542 1.006 1.00 0.00 O ATOM 1645 CB TYR A 105 9.215 2.874 2.761 1.00 0.00 C ATOM 1646 CG TYR A 105 9.876 4.049 2.088 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.275 4.642 0.974 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.087 4.550 2.581 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.882 5.736 0.350 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.695 5.646 1.958 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.091 6.237 0.843 1.00 0.00 C ATOM 1652 OH TYR A 105 11.691 7.317 0.228 1.00 0.00 O ATOM 0 H TYR A 105 8.236 0.750 3.416 1.00 0.00 H new ATOM 0 HA TYR A 105 9.188 1.656 0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.136 3.024 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.557 2.796 3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.341 4.255 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.552 4.091 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.418 6.193 -0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.629 6.035 2.337 1.00 0.00 H new ATOM 0 HH TYR A 105 12.523 7.539 0.696 1.00 0.00 H new ATOM 1662 N ARG A 106 11.533 1.033 3.184 1.00 0.00 N ATOM 1663 CA ARG A 106 12.954 0.821 3.365 1.00 0.00 C ATOM 1664 C ARG A 106 13.455 -0.304 2.473 1.00 0.00 C ATOM 1665 O ARG A 106 14.532 -0.200 1.894 1.00 0.00 O ATOM 1666 CB ARG A 106 13.220 0.521 4.834 1.00 0.00 C ATOM 1667 CG ARG A 106 13.016 1.812 5.630 1.00 0.00 C ATOM 1668 CD ARG A 106 13.243 1.553 7.117 1.00 0.00 C ATOM 1669 NE ARG A 106 12.151 0.761 7.660 1.00 0.00 N ATOM 1670 CZ ARG A 106 12.241 0.210 8.863 1.00 0.00 C ATOM 1671 NH1 ARG A 106 13.038 -0.803 9.055 1.00 0.00 N ATOM 1672 NH2 ARG A 106 11.536 0.685 9.852 1.00 0.00 N ATOM 0 H ARG A 106 10.974 0.896 4.026 1.00 0.00 H new ATOM 0 HA ARG A 106 13.497 1.721 3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.545 -0.257 5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.235 0.148 4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.706 2.579 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.007 2.192 5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.189 1.031 7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 106 13.316 2.500 7.652 1.00 0.00 H new ATOM 0 HE ARG A 106 11.304 0.627 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.591 -1.171 8.281 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.109 -1.228 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.915 1.480 9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.605 0.261 10.777 1.00 0.00 H new ATOM 1686 N SER A 107 12.670 -1.366 2.340 1.00 0.00 N ATOM 1687 CA SER A 107 13.074 -2.473 1.480 1.00 0.00 C ATOM 1688 C SER A 107 13.275 -1.974 0.045 1.00 0.00 C ATOM 1689 O SER A 107 14.200 -2.395 -0.647 1.00 0.00 O ATOM 1690 CB SER A 107 12.020 -3.579 1.497 1.00 0.00 C ATOM 1691 OG SER A 107 11.805 -4.004 2.838 1.00 0.00 O ATOM 0 H SER A 107 11.770 -1.485 2.805 1.00 0.00 H new ATOM 0 HA SER A 107 14.013 -2.878 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.088 -3.215 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.348 -4.419 0.885 1.00 0.00 H new ATOM 0 HG SER A 107 11.128 -4.712 2.852 1.00 0.00 H new ATOM 1697 N LEU A 108 12.397 -1.075 -0.394 1.00 0.00 N ATOM 1698 CA LEU A 108 12.489 -0.516 -1.742 1.00 0.00 C ATOM 1699 C LEU A 108 13.707 0.389 -1.882 1.00 0.00 C ATOM 1700 O LEU A 108 14.332 0.448 -2.941 1.00 0.00 O ATOM 1701 CB LEU A 108 11.247 0.310 -2.070 1.00 0.00 C ATOM 1702 CG LEU A 108 9.966 -0.490 -1.818 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.754 0.416 -2.062 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.899 -1.690 -2.767 1.00 0.00 C ATOM 0 H LEU A 108 11.618 -0.719 0.160 1.00 0.00 H new ATOM 0 HA LEU A 108 12.575 -1.357 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.239 1.215 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.282 0.626 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 108 9.964 -0.850 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.838 -0.147 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.794 1.268 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.767 0.772 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.984 -2.252 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.904 -1.339 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.762 -2.335 -2.600 1.00 0.00 H new ATOM 1716 N VAL A 109 14.011 1.132 -0.822 1.00 0.00 N ATOM 1717 CA VAL A 109 15.125 2.062 -0.858 1.00 0.00 C ATOM 1718 C VAL A 109 16.441 1.324 -1.059 1.00 0.00 C ATOM 1719 O VAL A 109 17.241 1.696 -1.919 1.00 0.00 O ATOM 1720 CB VAL A 109 15.156 2.872 0.442 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.460 3.665 0.535 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.975 3.846 0.456 1.00 0.00 C ATOM 0 H VAL A 109 13.504 1.106 0.063 1.00 0.00 H new ATOM 0 HA VAL A 109 14.992 2.740 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 109 15.089 2.190 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.472 4.237 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.306 2.977 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.533 4.346 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.992 4.425 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.050 4.520 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.041 3.287 0.396 1.00 0.00 H new ATOM 1732 N GLN A 110 16.658 0.278 -0.272 1.00 0.00 N ATOM 1733 CA GLN A 110 17.881 -0.495 -0.398 1.00 0.00 C ATOM 1734 C GLN A 110 17.910 -1.176 -1.755 1.00 0.00 C ATOM 1735 O GLN A 110 18.937 -1.184 -2.435 1.00 0.00 O ATOM 1736 CB GLN A 110 17.975 -1.545 0.716 1.00 0.00 C ATOM 1737 CG GLN A 110 16.700 -2.400 0.760 1.00 0.00 C ATOM 1738 CD GLN A 110 16.687 -3.300 1.994 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.503 -3.057 2.981 1.00 0.00 O flip ATOM 1740 NE2 GLN A 110 15.905 -4.251 2.064 1.00 0.00 N flip ATOM 0 H GLN A 110 16.014 -0.049 0.448 1.00 0.00 H new ATOM 0 HA GLN A 110 18.734 0.178 -0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.842 -2.184 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.122 -1.052 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.823 -1.752 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.636 -3.011 -0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.265 -4.443 1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 110 15.898 -4.845 2.893 1.00 0.00 H new ATOM 1749 N LYS A 111 16.774 -1.747 -2.136 1.00 0.00 N ATOM 1750 CA LYS A 111 16.666 -2.436 -3.406 1.00 0.00 C ATOM 1751 C LYS A 111 16.989 -1.484 -4.555 1.00 0.00 C ATOM 1752 O LYS A 111 17.419 -1.913 -5.624 1.00 0.00 O ATOM 1753 CB LYS A 111 15.245 -3.010 -3.578 1.00 0.00 C ATOM 1754 CG LYS A 111 15.248 -4.136 -4.633 1.00 0.00 C ATOM 1755 CD LYS A 111 15.615 -5.477 -3.977 1.00 0.00 C ATOM 1756 CE LYS A 111 15.525 -6.602 -5.013 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.943 -7.891 -4.390 1.00 0.00 N ATOM 0 H LYS A 111 15.918 -1.744 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 111 17.383 -3.257 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.883 -3.396 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.560 -2.219 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.266 -4.208 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.961 -3.902 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.624 -5.428 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.942 -5.682 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.505 -6.682 -5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.163 -6.375 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.881 -8.653 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.923 -7.811 -4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.317 -8.109 -3.589 1.00 0.00 H new ATOM 1771 N GLY A 112 16.763 -0.190 -4.332 1.00 0.00 N ATOM 1772 CA GLY A 112 17.019 0.815 -5.363 1.00 0.00 C ATOM 1773 C GLY A 112 15.814 0.925 -6.280 1.00 0.00 C ATOM 1774 O GLY A 112 15.897 1.440 -7.396 1.00 0.00 O ATOM 0 H GLY A 112 16.406 0.185 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.226 1.780 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.903 0.542 -5.939 1.00 0.00 H new ATOM 1778 N LEU A 113 14.691 0.435 -5.773 1.00 0.00 N ATOM 1779 CA LEU A 113 13.430 0.461 -6.498 1.00 0.00 C ATOM 1780 C LEU A 113 12.839 1.873 -6.513 1.00 0.00 C ATOM 1781 O LEU A 113 12.467 2.390 -7.565 1.00 0.00 O ATOM 1782 CB LEU A 113 12.455 -0.506 -5.811 1.00 0.00 C ATOM 1783 CG LEU A 113 12.718 -1.952 -6.264 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.860 -2.901 -5.418 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.360 -2.124 -7.757 1.00 0.00 C ATOM 0 H LEU A 113 14.629 0.009 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 113 13.600 0.158 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.564 -0.433 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.429 -0.226 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 113 13.775 -2.183 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.039 -3.930 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.124 -2.791 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.806 -2.658 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.552 -3.153 -8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.306 -1.892 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.969 -1.448 -8.357 1.00 0.00 H new ATOM 1797 N VAL A 114 12.751 2.482 -5.333 1.00 0.00 N ATOM 1798 CA VAL A 114 12.198 3.829 -5.211 1.00 0.00 C ATOM 1799 C VAL A 114 13.145 4.881 -5.791 1.00 0.00 C ATOM 1800 O VAL A 114 12.706 5.852 -6.409 1.00 0.00 O ATOM 1801 CB VAL A 114 11.857 4.119 -3.730 1.00 0.00 C ATOM 1802 CG1 VAL A 114 11.755 5.631 -3.473 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.506 3.459 -3.372 1.00 0.00 C ATOM 0 H VAL A 114 13.054 2.067 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 114 11.280 3.884 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 114 12.655 3.710 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.514 5.806 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.707 6.106 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 114 10.971 6.055 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.266 3.664 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.722 3.865 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.576 2.382 -3.524 1.00 0.00 H new