USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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 53 SER OG : rot 170:sc= 1.38 USER MOD Set 1.2: A 56 THR OG1 : rot 88:sc= 0.992 USER MOD Set 2.1: A 37 SER OG : rot 108:sc= 0.931 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.708 X(o=1.6,f=1.4) USER MOD Set 3.1: A 16 SER OG : rot -33:sc= 0.159 USER MOD Set 3.2: A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0537 X(o=-0.054,f=-0.014) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 12 MET CE :methyl -178:sc= -0.125 (180deg=-0.136) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 76:sc= 0.88 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0301) USER MOD Single : A 33 SER OG : rot 180:sc=0.000889 USER MOD Single : A 41 SER OG : rot 10:sc= 0.654 USER MOD Single : A 42 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0764 USER MOD Single : A 64 MET CE :methyl -175:sc= -0.0399 (180deg=-0.18) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.551 -19.709 1.374 1.00 0.00 N ATOM 37 CA GLN A 3 0.193 -19.218 1.200 1.00 0.00 C ATOM 38 C GLN A 3 0.171 -17.707 1.431 1.00 0.00 C ATOM 39 O GLN A 3 1.153 -17.136 1.906 1.00 0.00 O ATOM 40 CB GLN A 3 -0.726 -19.925 2.208 1.00 0.00 C ATOM 41 CG GLN A 3 -0.890 -21.428 1.943 1.00 0.00 C ATOM 42 CD GLN A 3 -1.702 -21.713 0.680 1.00 0.00 C ATOM 43 OE1 GLN A 3 -2.924 -21.819 0.741 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.032 -21.844 -0.466 1.00 0.00 N ATOM 0 HA GLN A 3 -0.157 -19.426 0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.327 -19.783 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.708 -19.452 2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.094 -21.887 1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.379 -21.894 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.016 -21.749 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.535 -22.039 -1.332 1.00 0.00 H new ATOM 53 N GLU A 4 -0.955 -17.070 1.094 1.00 0.00 N ATOM 54 CA GLU A 4 -1.198 -15.652 1.320 1.00 0.00 C ATOM 55 C GLU A 4 -2.488 -15.475 2.117 1.00 0.00 C ATOM 56 O GLU A 4 -3.377 -16.324 2.052 1.00 0.00 O ATOM 57 CB GLU A 4 -1.277 -14.899 -0.013 1.00 0.00 C ATOM 58 CG GLU A 4 0.054 -14.951 -0.770 1.00 0.00 C ATOM 59 CD GLU A 4 0.029 -14.042 -1.993 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.539 -14.480 -3.017 1.00 0.00 O ATOM 61 OE2 GLU A 4 0.576 -12.923 -1.881 1.00 0.00 O ATOM 0 H GLU A 4 -1.739 -17.543 0.645 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.369 -15.235 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.064 -15.332 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.551 -13.860 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.865 -14.650 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.259 -15.976 -1.080 1.00 0.00 H new ATOM 68 N THR A 5 -2.580 -14.374 2.871 1.00 0.00 N ATOM 69 CA THR A 5 -3.756 -14.038 3.660 1.00 0.00 C ATOM 70 C THR A 5 -3.895 -12.521 3.776 1.00 0.00 C ATOM 71 O THR A 5 -2.907 -11.818 3.985 1.00 0.00 O ATOM 72 CB THR A 5 -3.698 -14.717 5.040 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.877 -14.436 5.767 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.491 -14.276 5.879 1.00 0.00 C ATOM 0 H THR A 5 -1.829 -13.688 2.947 1.00 0.00 H new ATOM 0 HA THR A 5 -4.644 -14.416 3.153 1.00 0.00 H new ATOM 0 HB THR A 5 -3.600 -15.786 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.164 -15.240 6.249 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.508 -14.791 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.570 -14.524 5.351 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.536 -13.199 6.043 1.00 0.00 H new ATOM 82 N VAL A 6 -5.134 -12.035 3.648 1.00 0.00 N ATOM 83 CA VAL A 6 -5.515 -10.653 3.872 1.00 0.00 C ATOM 84 C VAL A 6 -6.128 -10.573 5.267 1.00 0.00 C ATOM 85 O VAL A 6 -7.080 -11.290 5.570 1.00 0.00 O ATOM 86 CB VAL A 6 -6.507 -10.184 2.792 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.859 -8.703 2.995 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.917 -10.358 1.387 1.00 0.00 C ATOM 0 H VAL A 6 -5.922 -12.622 3.375 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.649 -9.995 3.807 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.404 -10.797 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.561 -8.387 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.313 -8.568 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.953 -8.101 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.639 -10.019 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.004 -9.769 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.688 -11.410 1.216 1.00 0.00 H new ATOM 98 N ILE A 7 -5.572 -9.697 6.109 1.00 0.00 N ATOM 99 CA ILE A 7 -6.042 -9.431 7.459 1.00 0.00 C ATOM 100 C ILE A 7 -6.411 -7.952 7.499 1.00 0.00 C ATOM 101 O ILE A 7 -5.552 -7.114 7.252 1.00 0.00 O ATOM 102 CB ILE A 7 -4.931 -9.781 8.473 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.508 -11.254 8.307 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.407 -9.502 9.907 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.432 -11.701 9.301 1.00 0.00 C ATOM 0 H ILE A 7 -4.757 -9.139 5.855 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.908 -10.037 7.725 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.063 -9.151 8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.385 -11.890 8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.138 -11.405 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.613 -9.754 10.610 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.659 -8.446 10.008 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.287 -10.108 10.122 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.185 -12.748 9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.539 -11.090 9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.805 -11.583 10.318 1.00 0.00 H new ATOM 117 N ASN A 8 -7.672 -7.620 7.798 1.00 0.00 N ATOM 118 CA ASN A 8 -8.109 -6.235 7.935 1.00 0.00 C ATOM 119 C ASN A 8 -7.613 -5.698 9.274 1.00 0.00 C ATOM 120 O ASN A 8 -7.855 -6.324 10.304 1.00 0.00 O ATOM 121 CB ASN A 8 -9.636 -6.142 7.835 1.00 0.00 C ATOM 122 CG ASN A 8 -10.156 -6.535 6.452 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.443 -6.436 5.454 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.407 -6.994 6.387 1.00 0.00 N ATOM 0 H ASN A 8 -8.412 -8.305 7.950 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.692 -5.632 7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.086 -6.790 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.951 -5.123 8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.801 -7.276 5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.970 -7.063 7.235 1.00 0.00 H new ATOM 131 N ILE A 9 -6.914 -4.556 9.250 1.00 0.00 N ATOM 132 CA ILE A 9 -6.280 -3.949 10.412 1.00 0.00 C ATOM 133 C ILE A 9 -6.845 -2.540 10.576 1.00 0.00 C ATOM 134 O ILE A 9 -6.562 -1.664 9.761 1.00 0.00 O ATOM 135 CB ILE A 9 -4.745 -3.907 10.256 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.149 -5.273 9.876 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.124 -3.418 11.575 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.668 -5.179 9.493 1.00 0.00 C ATOM 0 H ILE A 9 -6.774 -4.019 8.394 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.492 -4.546 11.299 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.512 -3.222 9.440 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.262 -5.961 10.714 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.711 -5.692 9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.039 -3.385 11.476 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.498 -2.421 11.806 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.394 -4.102 12.380 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.296 -6.170 9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.555 -4.513 8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.098 -4.787 10.336 1.00 0.00 H new ATOM 150 N ASP A 10 -7.624 -2.322 11.640 1.00 0.00 N ATOM 151 CA ASP A 10 -8.123 -1.008 12.018 1.00 0.00 C ATOM 152 C ASP A 10 -7.243 -0.457 13.142 1.00 0.00 C ATOM 153 O ASP A 10 -6.712 -1.216 13.952 1.00 0.00 O ATOM 154 CB ASP A 10 -9.598 -1.118 12.425 1.00 0.00 C ATOM 155 CG ASP A 10 -10.140 0.199 12.974 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.240 1.151 12.170 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.437 0.233 14.187 1.00 0.00 O ATOM 0 H ASP A 10 -7.926 -3.067 12.268 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.074 -0.313 11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.190 -1.422 11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.709 -1.898 13.178 1.00 0.00 H new ATOM 162 N GLY A 11 -7.076 0.871 13.172 1.00 0.00 N ATOM 163 CA GLY A 11 -6.234 1.570 14.132 1.00 0.00 C ATOM 164 C GLY A 11 -4.888 2.001 13.541 1.00 0.00 C ATOM 165 O GLY A 11 -4.077 2.578 14.263 1.00 0.00 O ATOM 0 H GLY A 11 -7.536 1.497 12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.763 2.450 14.498 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.057 0.923 14.991 1.00 0.00 H new ATOM 169 N MET A 12 -4.641 1.745 12.247 1.00 0.00 N ATOM 170 CA MET A 12 -3.442 2.209 11.562 1.00 0.00 C ATOM 171 C MET A 12 -3.601 3.698 11.254 1.00 0.00 C ATOM 172 O MET A 12 -3.975 4.073 10.145 1.00 0.00 O ATOM 173 CB MET A 12 -3.188 1.390 10.288 1.00 0.00 C ATOM 174 CG MET A 12 -3.065 -0.106 10.584 1.00 0.00 C ATOM 175 SD MET A 12 -2.338 -1.098 9.251 1.00 0.00 S ATOM 176 CE MET A 12 -3.521 -0.794 7.919 1.00 0.00 C ATOM 0 H MET A 12 -5.273 1.209 11.652 1.00 0.00 H new ATOM 0 HA MET A 12 -2.571 2.069 12.203 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.003 1.554 9.583 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.275 1.741 9.807 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.461 -0.234 11.482 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.057 -0.499 10.808 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.231 -1.366 7.037 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.517 -1.101 8.240 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.530 0.268 7.675 1.00 0.00 H new ATOM 225 N SER A 16 2.957 6.044 9.130 1.00 0.00 N ATOM 226 CA SER A 16 3.902 5.613 10.150 1.00 0.00 C ATOM 227 C SER A 16 3.527 4.237 10.707 1.00 0.00 C ATOM 228 O SER A 16 4.372 3.345 10.759 1.00 0.00 O ATOM 229 CB SER A 16 3.963 6.666 11.262 1.00 0.00 C ATOM 230 OG SER A 16 2.671 6.922 11.771 1.00 0.00 O ATOM 0 HA SER A 16 4.890 5.515 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.614 6.319 12.064 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.397 7.588 10.875 1.00 0.00 H new ATOM 0 HG SER A 16 2.013 6.837 11.050 1.00 0.00 H new ATOM 236 N CYS A 17 2.260 4.063 11.110 1.00 0.00 N ATOM 237 CA CYS A 17 1.745 2.808 11.645 1.00 0.00 C ATOM 238 C CYS A 17 1.909 1.689 10.620 1.00 0.00 C ATOM 239 O CYS A 17 2.437 0.627 10.940 1.00 0.00 O ATOM 240 CB CYS A 17 0.267 2.947 12.038 1.00 0.00 C ATOM 241 SG CYS A 17 0.053 4.220 13.308 1.00 0.00 S ATOM 0 H CYS A 17 1.560 4.804 11.070 1.00 0.00 H new ATOM 0 HA CYS A 17 2.318 2.559 12.538 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.325 3.202 11.159 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.106 1.992 12.408 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.206 4.316 13.618 1.00 0.00 H new ATOM 247 N VAL A 18 1.459 1.943 9.387 1.00 0.00 N ATOM 248 CA VAL A 18 1.529 1.014 8.267 1.00 0.00 C ATOM 249 C VAL A 18 2.962 0.522 8.054 1.00 0.00 C ATOM 250 O VAL A 18 3.198 -0.684 8.003 1.00 0.00 O ATOM 251 CB VAL A 18 0.944 1.706 7.023 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.200 0.935 5.726 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.567 1.877 7.208 1.00 0.00 C ATOM 0 H VAL A 18 1.023 2.831 9.139 1.00 0.00 H new ATOM 0 HA VAL A 18 0.937 0.123 8.475 1.00 0.00 H new ATOM 0 HB VAL A 18 1.446 2.669 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.762 1.477 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.274 0.832 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.747 -0.054 5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.988 2.367 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.031 0.899 7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.759 2.487 8.091 1.00 0.00 H new ATOM 263 N GLN A 19 3.913 1.455 7.939 1.00 0.00 N ATOM 264 CA GLN A 19 5.328 1.171 7.750 1.00 0.00 C ATOM 265 C GLN A 19 5.882 0.334 8.905 1.00 0.00 C ATOM 266 O GLN A 19 6.589 -0.642 8.663 1.00 0.00 O ATOM 267 CB GLN A 19 6.102 2.486 7.610 1.00 0.00 C ATOM 268 CG GLN A 19 5.809 3.175 6.272 1.00 0.00 C ATOM 269 CD GLN A 19 6.335 4.608 6.261 1.00 0.00 C ATOM 270 OE1 GLN A 19 5.558 5.561 6.258 1.00 0.00 O ATOM 271 NE2 GLN A 19 7.660 4.767 6.256 1.00 0.00 N ATOM 0 H GLN A 19 3.708 2.453 7.977 1.00 0.00 H new ATOM 0 HA GLN A 19 5.449 0.588 6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.836 3.154 8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.171 2.290 7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.269 2.610 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.734 3.178 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.272 3.951 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.061 5.705 6.249 1.00 0.00 H new ATOM 280 N SER A 20 5.563 0.711 10.150 1.00 0.00 N ATOM 281 CA SER A 20 6.019 0.003 11.339 1.00 0.00 C ATOM 282 C SER A 20 5.561 -1.457 11.311 1.00 0.00 C ATOM 283 O SER A 20 6.384 -2.359 11.454 1.00 0.00 O ATOM 284 CB SER A 20 5.528 0.710 12.607 1.00 0.00 C ATOM 285 OG SER A 20 6.026 2.030 12.660 1.00 0.00 O ATOM 0 H SER A 20 4.978 1.521 10.355 1.00 0.00 H new ATOM 0 HA SER A 20 7.109 0.011 11.347 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.438 0.725 12.624 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.853 0.157 13.488 1.00 0.00 H new ATOM 0 HG SER A 20 5.526 2.594 12.033 1.00 0.00 H new ATOM 291 N ILE A 21 4.255 -1.684 11.118 1.00 0.00 N ATOM 292 CA ILE A 21 3.669 -3.018 11.050 1.00 0.00 C ATOM 293 C ILE A 21 4.357 -3.827 9.952 1.00 0.00 C ATOM 294 O ILE A 21 4.840 -4.926 10.212 1.00 0.00 O ATOM 295 CB ILE A 21 2.148 -2.924 10.815 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.452 -2.275 12.026 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.539 -4.314 10.564 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.081 -1.714 11.643 1.00 0.00 C ATOM 0 H ILE A 21 3.573 -0.934 11.004 1.00 0.00 H new ATOM 0 HA ILE A 21 3.824 -3.531 11.999 1.00 0.00 H new ATOM 0 HB ILE A 21 1.990 -2.305 9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.337 -3.012 12.820 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.077 -1.475 12.422 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.466 -4.217 10.402 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.001 -4.760 9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.719 -4.952 11.430 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.385 -1.263 12.519 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.201 -0.959 10.866 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.551 -2.520 11.271 1.00 0.00 H new ATOM 310 N GLU A 22 4.399 -3.277 8.732 1.00 0.00 N ATOM 311 CA GLU A 22 4.974 -3.924 7.563 1.00 0.00 C ATOM 312 C GLU A 22 6.401 -4.394 7.851 1.00 0.00 C ATOM 313 O GLU A 22 6.700 -5.576 7.698 1.00 0.00 O ATOM 314 CB GLU A 22 4.903 -2.956 6.374 1.00 0.00 C ATOM 315 CG GLU A 22 5.248 -3.641 5.049 1.00 0.00 C ATOM 316 CD GLU A 22 4.998 -2.703 3.874 1.00 0.00 C ATOM 317 OE1 GLU A 22 3.843 -2.686 3.396 1.00 0.00 O ATOM 318 OE2 GLU A 22 5.965 -2.016 3.477 1.00 0.00 O ATOM 0 H GLU A 22 4.024 -2.349 8.534 1.00 0.00 H new ATOM 0 HA GLU A 22 4.403 -4.817 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.901 -2.533 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.590 -2.126 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.293 -3.952 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.648 -4.544 4.934 1.00 0.00 H new ATOM 325 N GLY A 23 7.266 -3.471 8.285 1.00 0.00 N ATOM 326 CA GLY A 23 8.662 -3.740 8.591 1.00 0.00 C ATOM 327 C GLY A 23 8.821 -4.831 9.650 1.00 0.00 C ATOM 328 O GLY A 23 9.560 -5.788 9.432 1.00 0.00 O ATOM 0 H GLY A 23 7.002 -2.497 8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.180 -4.041 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.139 -2.824 8.941 1.00 0.00 H new ATOM 332 N VAL A 24 8.137 -4.687 10.791 1.00 0.00 N ATOM 333 CA VAL A 24 8.244 -5.615 11.910 1.00 0.00 C ATOM 334 C VAL A 24 7.805 -7.024 11.496 1.00 0.00 C ATOM 335 O VAL A 24 8.575 -7.972 11.644 1.00 0.00 O ATOM 336 CB VAL A 24 7.450 -5.072 13.113 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.298 -6.124 14.219 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.165 -3.851 13.708 1.00 0.00 C ATOM 0 H VAL A 24 7.491 -3.916 10.960 1.00 0.00 H new ATOM 0 HA VAL A 24 9.287 -5.698 12.216 1.00 0.00 H new ATOM 0 HB VAL A 24 6.461 -4.800 12.746 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.732 -5.700 15.049 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.770 -6.992 13.825 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.284 -6.428 14.570 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.596 -3.474 14.558 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.163 -4.139 14.039 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.245 -3.071 12.951 1.00 0.00 H new ATOM 348 N ILE A 25 6.577 -7.160 10.982 1.00 0.00 N ATOM 349 CA ILE A 25 6.000 -8.449 10.620 1.00 0.00 C ATOM 350 C ILE A 25 6.815 -9.137 9.516 1.00 0.00 C ATOM 351 O ILE A 25 6.967 -10.356 9.562 1.00 0.00 O ATOM 352 CB ILE A 25 4.513 -8.282 10.245 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.652 -7.731 11.401 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.909 -9.598 9.731 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.531 -8.657 12.618 1.00 0.00 C ATOM 0 H ILE A 25 5.956 -6.370 10.806 1.00 0.00 H new ATOM 0 HA ILE A 25 6.045 -9.109 11.486 1.00 0.00 H new ATOM 0 HB ILE A 25 4.497 -7.542 9.444 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.074 -6.780 11.727 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.652 -7.522 11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.861 -9.442 9.477 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.453 -9.926 8.845 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.985 -10.360 10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.908 -8.182 13.376 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.078 -9.600 12.314 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.522 -8.847 13.030 1.00 0.00 H new ATOM 367 N SER A 26 7.350 -8.376 8.546 1.00 0.00 N ATOM 368 CA SER A 26 8.130 -8.911 7.430 1.00 0.00 C ATOM 369 C SER A 26 9.232 -9.873 7.887 1.00 0.00 C ATOM 370 O SER A 26 9.457 -10.893 7.239 1.00 0.00 O ATOM 371 CB SER A 26 8.751 -7.766 6.617 1.00 0.00 C ATOM 372 OG SER A 26 9.463 -8.275 5.509 1.00 0.00 O ATOM 0 H SER A 26 7.249 -7.361 8.520 1.00 0.00 H new ATOM 0 HA SER A 26 7.438 -9.478 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.968 -7.090 6.274 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.420 -7.184 7.250 1.00 0.00 H new ATOM 0 HG SER A 26 9.851 -7.533 5.001 1.00 0.00 H new ATOM 378 N LYS A 27 9.918 -9.545 8.987 1.00 0.00 N ATOM 379 CA LYS A 27 11.104 -10.265 9.431 1.00 0.00 C ATOM 380 C LYS A 27 10.778 -11.434 10.367 1.00 0.00 C ATOM 381 O LYS A 27 11.686 -12.185 10.718 1.00 0.00 O ATOM 382 CB LYS A 27 12.074 -9.287 10.110 1.00 0.00 C ATOM 383 CG LYS A 27 12.384 -8.032 9.280 1.00 0.00 C ATOM 384 CD LYS A 27 12.927 -8.349 7.882 1.00 0.00 C ATOM 385 CE LYS A 27 13.290 -7.053 7.153 1.00 0.00 C ATOM 386 NZ LYS A 27 13.764 -7.323 5.785 1.00 0.00 N ATOM 0 H LYS A 27 9.660 -8.767 9.594 1.00 0.00 H new ATOM 0 HA LYS A 27 11.571 -10.700 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.653 -8.981 11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.007 -9.808 10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.477 -7.436 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.111 -7.421 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.806 -8.989 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.181 -8.901 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.419 -6.398 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.063 -6.524 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.002 -6.425 5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.609 -7.928 5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.016 -7.806 5.247 1.00 0.00 H new ATOM 400 N LYS A 28 9.513 -11.608 10.780 1.00 0.00 N ATOM 401 CA LYS A 28 9.142 -12.690 11.684 1.00 0.00 C ATOM 402 C LYS A 28 9.116 -14.030 10.935 1.00 0.00 C ATOM 403 O LYS A 28 8.811 -14.044 9.741 1.00 0.00 O ATOM 404 CB LYS A 28 7.797 -12.389 12.358 1.00 0.00 C ATOM 405 CG LYS A 28 7.962 -11.227 13.344 1.00 0.00 C ATOM 406 CD LYS A 28 6.677 -10.973 14.137 1.00 0.00 C ATOM 407 CE LYS A 28 6.930 -9.863 15.162 1.00 0.00 C ATOM 408 NZ LYS A 28 5.699 -9.486 15.875 1.00 0.00 N ATOM 0 H LYS A 28 8.736 -11.010 10.499 1.00 0.00 H new ATOM 0 HA LYS A 28 9.893 -12.767 12.470 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.050 -12.137 11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.435 -13.274 12.881 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.778 -11.447 14.033 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.239 -10.324 12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.870 -10.685 13.463 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.360 -11.886 14.642 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.679 -10.196 15.881 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.340 -8.988 14.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.911 -8.732 16.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.993 -9.144 15.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.322 -10.314 16.378 1.00 0.00 H new ATOM 422 N PRO A 29 9.436 -15.152 11.611 1.00 0.00 N ATOM 423 CA PRO A 29 9.447 -16.490 11.032 1.00 0.00 C ATOM 424 C PRO A 29 8.234 -16.789 10.154 1.00 0.00 C ATOM 425 O PRO A 29 7.099 -16.502 10.534 1.00 0.00 O ATOM 426 CB PRO A 29 9.512 -17.452 12.219 1.00 0.00 C ATOM 427 CG PRO A 29 10.319 -16.659 13.240 1.00 0.00 C ATOM 428 CD PRO A 29 9.856 -15.221 13.004 1.00 0.00 C ATOM 0 HA PRO A 29 10.299 -16.594 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.519 -17.704 12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.000 -18.390 11.955 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.114 -16.987 14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.392 -16.769 13.080 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.034 -14.962 13.672 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.662 -14.515 13.203 1.00 0.00 H new ATOM 436 N GLY A 30 8.486 -17.364 8.974 1.00 0.00 N ATOM 437 CA GLY A 30 7.450 -17.755 8.036 1.00 0.00 C ATOM 438 C GLY A 30 7.127 -16.660 7.028 1.00 0.00 C ATOM 439 O GLY A 30 6.920 -16.971 5.858 1.00 0.00 O ATOM 0 H GLY A 30 9.430 -17.570 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.767 -18.652 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.546 -18.015 8.587 1.00 0.00 H new ATOM 443 N VAL A 31 7.073 -15.395 7.469 1.00 0.00 N ATOM 444 CA VAL A 31 6.690 -14.280 6.614 1.00 0.00 C ATOM 445 C VAL A 31 7.764 -14.036 5.553 1.00 0.00 C ATOM 446 O VAL A 31 8.953 -14.022 5.865 1.00 0.00 O ATOM 447 CB VAL A 31 6.423 -13.013 7.444 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.950 -11.872 6.533 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.341 -13.279 8.496 1.00 0.00 C ATOM 0 H VAL A 31 7.294 -15.124 8.427 1.00 0.00 H new ATOM 0 HA VAL A 31 5.760 -14.536 6.106 1.00 0.00 H new ATOM 0 HB VAL A 31 7.353 -12.732 7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.764 -10.981 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.719 -11.656 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.030 -12.167 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.165 -12.372 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.418 -13.579 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.670 -14.076 9.163 1.00 0.00 H new ATOM 459 N LYS A 32 7.323 -13.839 4.304 1.00 0.00 N ATOM 460 CA LYS A 32 8.169 -13.484 3.176 1.00 0.00 C ATOM 461 C LYS A 32 7.867 -12.031 2.801 1.00 0.00 C ATOM 462 O LYS A 32 8.383 -11.118 3.444 1.00 0.00 O ATOM 463 CB LYS A 32 7.938 -14.471 2.021 1.00 0.00 C ATOM 464 CG LYS A 32 8.451 -15.871 2.379 1.00 0.00 C ATOM 465 CD LYS A 32 8.158 -16.897 1.276 1.00 0.00 C ATOM 466 CE LYS A 32 8.820 -16.588 -0.073 1.00 0.00 C ATOM 467 NZ LYS A 32 10.283 -16.468 0.041 1.00 0.00 N ATOM 0 H LYS A 32 6.339 -13.927 4.052 1.00 0.00 H new ATOM 0 HA LYS A 32 9.227 -13.556 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.874 -14.519 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.446 -14.113 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.526 -15.828 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.988 -16.199 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.491 -17.879 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.079 -16.958 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.576 -17.377 -0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.411 -15.660 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.696 -16.343 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.519 -15.646 0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.669 -17.330 0.476 1.00 0.00 H new ATOM 481 N SER A 33 7.032 -11.811 1.778 1.00 0.00 N ATOM 482 CA SER A 33 6.601 -10.487 1.361 1.00 0.00 C ATOM 483 C SER A 33 5.362 -10.080 2.156 1.00 0.00 C ATOM 484 O SER A 33 4.595 -10.931 2.607 1.00 0.00 O ATOM 485 CB SER A 33 6.333 -10.488 -0.149 1.00 0.00 C ATOM 486 OG SER A 33 5.381 -11.474 -0.489 1.00 0.00 O ATOM 0 H SER A 33 6.636 -12.563 1.214 1.00 0.00 H new ATOM 0 HA SER A 33 7.383 -9.755 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.974 -9.507 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.262 -10.672 -0.688 1.00 0.00 H new ATOM 0 HG SER A 33 5.223 -11.457 -1.456 1.00 0.00 H new ATOM 492 N ILE A 34 5.173 -8.770 2.336 1.00 0.00 N ATOM 493 CA ILE A 34 4.018 -8.213 3.018 1.00 0.00 C ATOM 494 C ILE A 34 3.718 -6.825 2.449 1.00 0.00 C ATOM 495 O ILE A 34 4.634 -6.035 2.227 1.00 0.00 O ATOM 496 CB ILE A 34 4.222 -8.226 4.546 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.042 -7.515 5.230 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.570 -7.620 4.964 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.028 -7.687 6.750 1.00 0.00 C ATOM 0 H ILE A 34 5.830 -8.064 2.005 1.00 0.00 H new ATOM 0 HA ILE A 34 3.139 -8.832 2.838 1.00 0.00 H new ATOM 0 HB ILE A 34 4.248 -9.265 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.081 -6.452 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.108 -7.900 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.663 -7.654 6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.381 -8.191 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.624 -6.585 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.170 -7.160 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.958 -8.747 6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.946 -7.277 7.171 1.00 0.00 H new ATOM 511 N ARG A 35 2.429 -6.548 2.212 1.00 0.00 N ATOM 512 CA ARG A 35 1.934 -5.291 1.671 1.00 0.00 C ATOM 513 C ARG A 35 0.826 -4.776 2.586 1.00 0.00 C ATOM 514 O ARG A 35 -0.304 -5.258 2.513 1.00 0.00 O ATOM 515 CB ARG A 35 1.409 -5.507 0.245 1.00 0.00 C ATOM 516 CG ARG A 35 2.530 -5.937 -0.709 1.00 0.00 C ATOM 517 CD ARG A 35 1.989 -6.104 -2.131 1.00 0.00 C ATOM 518 NE ARG A 35 3.049 -6.546 -3.046 1.00 0.00 N ATOM 519 CZ ARG A 35 2.872 -6.803 -4.351 1.00 0.00 C ATOM 520 NH1 ARG A 35 1.668 -6.666 -4.922 1.00 0.00 N ATOM 521 NH2 ARG A 35 3.914 -7.203 -5.093 1.00 0.00 N ATOM 0 H ARG A 35 1.684 -7.219 2.400 1.00 0.00 H new ATOM 0 HA ARG A 35 2.737 -4.555 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.628 -6.267 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.953 -4.586 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.327 -5.193 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.967 -6.875 -0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.176 -6.830 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.573 -5.159 -2.480 1.00 0.00 H new ATOM 0 HE ARG A 35 3.986 -6.666 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.870 -6.363 -4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.549 -6.865 -5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.834 -7.310 -4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.787 -7.400 -6.086 1.00 0.00 H new ATOM 535 N VAL A 36 1.150 -3.798 3.441 1.00 0.00 N ATOM 536 CA VAL A 36 0.189 -3.150 4.322 1.00 0.00 C ATOM 537 C VAL A 36 -0.276 -1.852 3.658 1.00 0.00 C ATOM 538 O VAL A 36 0.547 -1.000 3.328 1.00 0.00 O ATOM 539 CB VAL A 36 0.790 -2.917 5.720 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.297 -2.463 6.703 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.427 -4.192 6.285 1.00 0.00 C ATOM 0 H VAL A 36 2.099 -3.435 3.536 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.678 -3.794 4.474 1.00 0.00 H new ATOM 0 HB VAL A 36 1.555 -2.148 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.145 -2.303 7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.742 -1.533 6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.068 -3.230 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.840 -3.986 7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.670 -4.973 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.225 -4.525 5.621 1.00 0.00 H new ATOM 551 N SER A 37 -1.592 -1.717 3.456 1.00 0.00 N ATOM 552 CA SER A 37 -2.222 -0.566 2.824 1.00 0.00 C ATOM 553 C SER A 37 -2.954 0.278 3.867 1.00 0.00 C ATOM 554 O SER A 37 -3.745 -0.255 4.646 1.00 0.00 O ATOM 555 CB SER A 37 -3.211 -1.055 1.761 1.00 0.00 C ATOM 556 OG SER A 37 -3.905 0.033 1.183 1.00 0.00 O ATOM 0 H SER A 37 -2.263 -2.431 3.739 1.00 0.00 H new ATOM 0 HA SER A 37 -1.455 0.051 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.677 -1.604 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.922 -1.748 2.211 1.00 0.00 H new ATOM 0 HG SER A 37 -3.584 0.177 0.268 1.00 0.00 H new ATOM 562 N LEU A 38 -2.709 1.595 3.854 1.00 0.00 N ATOM 563 CA LEU A 38 -3.459 2.564 4.640 1.00 0.00 C ATOM 564 C LEU A 38 -4.877 2.679 4.074 1.00 0.00 C ATOM 565 O LEU A 38 -5.853 2.549 4.810 1.00 0.00 O ATOM 566 CB LEU A 38 -2.744 3.928 4.604 1.00 0.00 C ATOM 567 CG LEU A 38 -3.397 4.998 5.498 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.385 4.614 6.984 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.638 6.320 5.332 1.00 0.00 C ATOM 0 H LEU A 38 -1.973 2.016 3.287 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.518 2.236 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.708 3.792 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.724 4.290 3.576 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.437 5.091 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.858 5.404 7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.933 3.682 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.356 4.483 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.095 7.083 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.598 6.182 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.682 6.636 4.290 1.00 0.00 H new ATOM 581 N ALA A 39 -4.971 2.922 2.758 1.00 0.00 N ATOM 582 CA ALA A 39 -6.213 3.145 2.032 1.00 0.00 C ATOM 583 C ALA A 39 -7.222 2.020 2.259 1.00 0.00 C ATOM 584 O ALA A 39 -8.386 2.291 2.549 1.00 0.00 O ATOM 585 CB ALA A 39 -5.905 3.303 0.540 1.00 0.00 C ATOM 0 H ALA A 39 -4.149 2.969 2.156 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.671 4.058 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.833 3.470 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.239 4.154 0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.424 2.398 0.170 1.00 0.00 H new ATOM 591 N ASN A 40 -6.774 0.764 2.140 1.00 0.00 N ATOM 592 CA ASN A 40 -7.629 -0.403 2.327 1.00 0.00 C ATOM 593 C ASN A 40 -7.647 -0.856 3.791 1.00 0.00 C ATOM 594 O ASN A 40 -8.462 -1.706 4.145 1.00 0.00 O ATOM 595 CB ASN A 40 -7.166 -1.546 1.415 1.00 0.00 C ATOM 596 CG ASN A 40 -7.242 -1.174 -0.064 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.260 -1.402 -0.712 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.164 -0.602 -0.605 1.00 0.00 N ATOM 0 H ASN A 40 -5.807 0.534 1.911 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.647 -0.123 2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.141 -1.816 1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.782 -2.426 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.167 -0.338 -1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.337 -0.429 -0.033 1.00 0.00 H new ATOM 605 N SER A 41 -6.769 -0.295 4.639 1.00 0.00 N ATOM 606 CA SER A 41 -6.677 -0.586 6.064 1.00 0.00 C ATOM 607 C SER A 41 -6.558 -2.093 6.304 1.00 0.00 C ATOM 608 O SER A 41 -7.370 -2.685 7.014 1.00 0.00 O ATOM 609 CB SER A 41 -7.851 0.053 6.816 1.00 0.00 C ATOM 610 OG SER A 41 -7.776 1.460 6.711 1.00 0.00 O ATOM 0 H SER A 41 -6.084 0.396 4.333 1.00 0.00 H new ATOM 0 HA SER A 41 -5.767 -0.140 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.796 -0.302 6.404 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.829 -0.245 7.864 1.00 0.00 H new ATOM 0 HG SER A 41 -7.087 1.703 6.058 1.00 0.00 H new ATOM 616 N ASN A 42 -5.541 -2.710 5.692 1.00 0.00 N ATOM 617 CA ASN A 42 -5.326 -4.146 5.762 1.00 0.00 C ATOM 618 C ASN A 42 -3.861 -4.497 5.518 1.00 0.00 C ATOM 619 O ASN A 42 -3.085 -3.662 5.058 1.00 0.00 O ATOM 620 CB ASN A 42 -6.280 -4.884 4.803 1.00 0.00 C ATOM 621 CG ASN A 42 -6.050 -4.600 3.318 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.097 -3.931 2.927 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.942 -5.120 2.474 1.00 0.00 N ATOM 0 H ASN A 42 -4.844 -2.218 5.133 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.560 -4.485 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.183 -5.956 4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.305 -4.613 5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.844 -4.967 1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.722 -5.671 2.832 1.00 0.00 H new ATOM 630 N GLY A 43 -3.509 -5.746 5.839 1.00 0.00 N ATOM 631 CA GLY A 43 -2.199 -6.341 5.675 1.00 0.00 C ATOM 632 C GLY A 43 -2.336 -7.597 4.825 1.00 0.00 C ATOM 633 O GLY A 43 -2.968 -8.561 5.253 1.00 0.00 O ATOM 0 H GLY A 43 -4.179 -6.400 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.520 -5.634 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.772 -6.587 6.647 1.00 0.00 H new ATOM 637 N THR A 44 -1.735 -7.578 3.630 1.00 0.00 N ATOM 638 CA THR A 44 -1.708 -8.700 2.705 1.00 0.00 C ATOM 639 C THR A 44 -0.352 -9.379 2.882 1.00 0.00 C ATOM 640 O THR A 44 0.649 -8.906 2.349 1.00 0.00 O ATOM 641 CB THR A 44 -1.929 -8.191 1.272 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.181 -7.540 1.200 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.913 -9.342 0.260 1.00 0.00 C ATOM 0 H THR A 44 -1.243 -6.757 3.277 1.00 0.00 H new ATOM 0 HA THR A 44 -2.502 -9.420 2.903 1.00 0.00 H new ATOM 0 HB THR A 44 -1.119 -7.503 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.327 -7.211 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.072 -8.947 -0.743 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.949 -9.849 0.301 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.706 -10.050 0.501 1.00 0.00 H new ATOM 651 N VAL A 45 -0.332 -10.468 3.660 1.00 0.00 N ATOM 652 CA VAL A 45 0.880 -11.134 4.113 1.00 0.00 C ATOM 653 C VAL A 45 1.065 -12.444 3.347 1.00 0.00 C ATOM 654 O VAL A 45 0.124 -13.232 3.265 1.00 0.00 O ATOM 655 CB VAL A 45 0.787 -11.419 5.627 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.169 -11.811 6.164 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.253 -10.220 6.421 1.00 0.00 C ATOM 0 H VAL A 45 -1.184 -10.916 3.997 1.00 0.00 H new ATOM 0 HA VAL A 45 1.736 -10.486 3.926 1.00 0.00 H new ATOM 0 HB VAL A 45 0.080 -12.238 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.100 -12.012 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.519 -12.705 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.871 -10.995 5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.208 -10.476 7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.917 -9.367 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.746 -9.965 6.067 1.00 0.00 H new ATOM 667 N GLU A 46 2.272 -12.676 2.816 1.00 0.00 N ATOM 668 CA GLU A 46 2.691 -13.955 2.258 1.00 0.00 C ATOM 669 C GLU A 46 3.516 -14.663 3.328 1.00 0.00 C ATOM 670 O GLU A 46 4.415 -14.054 3.907 1.00 0.00 O ATOM 671 CB GLU A 46 3.511 -13.733 0.983 1.00 0.00 C ATOM 672 CG GLU A 46 3.909 -15.061 0.329 1.00 0.00 C ATOM 673 CD GLU A 46 4.646 -14.819 -0.983 1.00 0.00 C ATOM 674 OE1 GLU A 46 5.885 -14.667 -0.920 1.00 0.00 O ATOM 675 OE2 GLU A 46 3.956 -14.786 -2.026 1.00 0.00 O ATOM 0 H GLU A 46 2.996 -11.960 2.764 1.00 0.00 H new ATOM 0 HA GLU A 46 1.830 -14.565 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.932 -13.138 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.408 -13.161 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.544 -15.630 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.019 -15.662 0.146 1.00 0.00 H new ATOM 682 N TYR A 47 3.198 -15.933 3.607 1.00 0.00 N ATOM 683 CA TYR A 47 3.748 -16.659 4.740 1.00 0.00 C ATOM 684 C TYR A 47 3.845 -18.159 4.461 1.00 0.00 C ATOM 685 O TYR A 47 3.199 -18.666 3.545 1.00 0.00 O ATOM 686 CB TYR A 47 2.877 -16.395 5.975 1.00 0.00 C ATOM 687 CG TYR A 47 1.510 -17.055 5.924 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.500 -16.525 5.099 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.288 -18.270 6.599 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.712 -17.216 4.932 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.068 -18.951 6.444 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.927 -18.430 5.602 1.00 0.00 C ATOM 693 OH TYR A 47 -2.099 -19.108 5.432 1.00 0.00 O ATOM 0 H TYR A 47 2.547 -16.482 3.045 1.00 0.00 H new ATOM 0 HA TYR A 47 4.762 -16.303 4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.406 -16.747 6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.745 -15.319 6.090 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.657 -15.584 4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.057 -18.680 7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.479 -16.812 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.104 -19.876 6.974 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.083 -19.929 5.967 1.00 0.00 H new ATOM 703 N ASP A 48 4.641 -18.861 5.277 1.00 0.00 N ATOM 704 CA ASP A 48 4.749 -20.314 5.282 1.00 0.00 C ATOM 705 C ASP A 48 3.866 -20.885 6.403 1.00 0.00 C ATOM 706 O ASP A 48 4.177 -20.653 7.571 1.00 0.00 O ATOM 707 CB ASP A 48 6.220 -20.707 5.492 1.00 0.00 C ATOM 708 CG ASP A 48 6.454 -22.220 5.501 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.546 -22.962 5.067 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.554 -22.611 5.945 1.00 0.00 O ATOM 0 H ASP A 48 5.243 -18.415 5.970 1.00 0.00 H new ATOM 0 HA ASP A 48 4.409 -20.722 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.823 -20.259 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.568 -20.288 6.436 1.00 0.00 H new ATOM 715 N PRO A 49 2.793 -21.634 6.077 1.00 0.00 N ATOM 716 CA PRO A 49 1.939 -22.345 7.025 1.00 0.00 C ATOM 717 C PRO A 49 2.685 -23.111 8.120 1.00 0.00 C ATOM 718 O PRO A 49 2.220 -23.166 9.256 1.00 0.00 O ATOM 719 CB PRO A 49 1.092 -23.299 6.179 1.00 0.00 C ATOM 720 CG PRO A 49 0.942 -22.532 4.871 1.00 0.00 C ATOM 721 CD PRO A 49 2.307 -21.862 4.725 1.00 0.00 C ATOM 0 HA PRO A 49 1.347 -21.618 7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.586 -24.259 6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.127 -23.505 6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.723 -23.195 4.034 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.134 -21.802 4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.995 -22.497 4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.223 -20.923 4.178 1.00 0.00 H new ATOM 729 N LEU A 50 3.833 -23.711 7.781 1.00 0.00 N ATOM 730 CA LEU A 50 4.620 -24.508 8.713 1.00 0.00 C ATOM 731 C LEU A 50 5.168 -23.659 9.866 1.00 0.00 C ATOM 732 O LEU A 50 5.254 -24.146 10.992 1.00 0.00 O ATOM 733 CB LEU A 50 5.775 -25.199 7.973 1.00 0.00 C ATOM 734 CG LEU A 50 5.345 -26.061 6.774 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.594 -26.674 6.132 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.381 -27.182 7.183 1.00 0.00 C ATOM 0 H LEU A 50 4.239 -23.653 6.847 1.00 0.00 H new ATOM 0 HA LEU A 50 3.960 -25.262 9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.472 -24.437 7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.317 -25.828 8.680 1.00 0.00 H new ATOM 0 HG LEU A 50 4.820 -25.418 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.301 -27.288 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.258 -25.878 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.113 -27.293 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.105 -27.764 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.867 -27.832 7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.485 -26.748 7.626 1.00 0.00 H new ATOM 748 N LEU A 51 5.550 -22.407 9.582 1.00 0.00 N ATOM 749 CA LEU A 51 6.245 -21.532 10.518 1.00 0.00 C ATOM 750 C LEU A 51 5.300 -20.527 11.183 1.00 0.00 C ATOM 751 O LEU A 51 5.518 -20.172 12.340 1.00 0.00 O ATOM 752 CB LEU A 51 7.390 -20.820 9.785 1.00 0.00 C ATOM 753 CG LEU A 51 8.497 -21.775 9.301 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.473 -21.011 8.401 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.281 -22.390 10.469 1.00 0.00 C ATOM 0 H LEU A 51 5.378 -21.971 8.676 1.00 0.00 H new ATOM 0 HA LEU A 51 6.653 -22.143 11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.984 -20.283 8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.828 -20.075 10.449 1.00 0.00 H new ATOM 0 HG LEU A 51 8.014 -22.584 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.257 -21.687 8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.937 -20.611 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.921 -20.191 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.051 -23.056 10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.749 -21.596 11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.601 -22.955 11.106 1.00 0.00 H new ATOM 767 N THR A 52 4.258 -20.065 10.478 1.00 0.00 N ATOM 768 CA THR A 52 3.256 -19.157 11.030 1.00 0.00 C ATOM 769 C THR A 52 1.901 -19.399 10.360 1.00 0.00 C ATOM 770 O THR A 52 1.788 -20.253 9.485 1.00 0.00 O ATOM 771 CB THR A 52 3.740 -17.699 10.919 1.00 0.00 C ATOM 772 OG1 THR A 52 2.943 -16.853 11.722 1.00 0.00 O ATOM 773 CG2 THR A 52 3.715 -17.187 9.478 1.00 0.00 C ATOM 0 H THR A 52 4.090 -20.315 9.504 1.00 0.00 H new ATOM 0 HA THR A 52 3.118 -19.357 12.093 1.00 0.00 H new ATOM 0 HB THR A 52 4.773 -17.684 11.267 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.263 -15.930 11.643 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.065 -16.155 9.452 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.366 -17.806 8.861 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.696 -17.234 9.093 1.00 0.00 H new ATOM 781 N SER A 53 0.872 -18.655 10.779 1.00 0.00 N ATOM 782 CA SER A 53 -0.504 -18.837 10.335 1.00 0.00 C ATOM 783 C SER A 53 -1.243 -17.493 10.372 1.00 0.00 C ATOM 784 O SER A 53 -0.774 -16.573 11.041 1.00 0.00 O ATOM 785 CB SER A 53 -1.185 -19.860 11.253 1.00 0.00 C ATOM 786 OG SER A 53 -1.321 -19.315 12.547 1.00 0.00 O ATOM 0 H SER A 53 0.980 -17.895 11.450 1.00 0.00 H new ATOM 0 HA SER A 53 -0.525 -19.206 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.164 -20.127 10.855 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.597 -20.777 11.293 1.00 0.00 H new ATOM 0 HG SER A 53 -1.896 -19.896 13.088 1.00 0.00 H new ATOM 792 N PRO A 54 -2.395 -17.357 9.689 1.00 0.00 N ATOM 793 CA PRO A 54 -3.197 -16.141 9.712 1.00 0.00 C ATOM 794 C PRO A 54 -3.529 -15.689 11.136 1.00 0.00 C ATOM 795 O PRO A 54 -3.373 -14.514 11.457 1.00 0.00 O ATOM 796 CB PRO A 54 -4.458 -16.453 8.900 1.00 0.00 C ATOM 797 CG PRO A 54 -3.998 -17.559 7.956 1.00 0.00 C ATOM 798 CD PRO A 54 -3.021 -18.346 8.826 1.00 0.00 C ATOM 0 HA PRO A 54 -2.647 -15.306 9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.277 -16.783 9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.812 -15.579 8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.830 -18.177 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.516 -17.158 7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.539 -19.107 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.279 -18.862 8.217 1.00 0.00 H new ATOM 806 N GLU A 55 -3.977 -16.623 11.986 1.00 0.00 N ATOM 807 CA GLU A 55 -4.342 -16.331 13.366 1.00 0.00 C ATOM 808 C GLU A 55 -3.132 -15.913 14.212 1.00 0.00 C ATOM 809 O GLU A 55 -3.278 -15.073 15.097 1.00 0.00 O ATOM 810 CB GLU A 55 -5.165 -17.479 13.972 1.00 0.00 C ATOM 811 CG GLU A 55 -4.460 -18.842 14.071 1.00 0.00 C ATOM 812 CD GLU A 55 -3.427 -18.940 15.194 1.00 0.00 C ATOM 813 OE1 GLU A 55 -3.592 -18.227 16.207 1.00 0.00 O ATOM 814 OE2 GLU A 55 -2.486 -19.746 15.022 1.00 0.00 O ATOM 0 H GLU A 55 -4.094 -17.603 11.729 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.994 -15.457 13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.481 -17.183 14.973 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.069 -17.604 13.376 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.213 -19.617 14.218 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.967 -19.052 13.122 1.00 0.00 H new ATOM 821 N THR A 56 -1.942 -16.472 13.943 1.00 0.00 N ATOM 822 CA THR A 56 -0.717 -16.070 14.628 1.00 0.00 C ATOM 823 C THR A 56 -0.337 -14.641 14.231 1.00 0.00 C ATOM 824 O THR A 56 0.002 -13.835 15.095 1.00 0.00 O ATOM 825 CB THR A 56 0.419 -17.059 14.328 1.00 0.00 C ATOM 826 OG1 THR A 56 0.065 -18.346 14.788 1.00 0.00 O ATOM 827 CG2 THR A 56 1.726 -16.656 15.017 1.00 0.00 C ATOM 0 H THR A 56 -1.808 -17.208 13.250 1.00 0.00 H new ATOM 0 HA THR A 56 -0.890 -16.086 15.704 1.00 0.00 H new ATOM 0 HB THR A 56 0.571 -17.054 13.249 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.426 -18.821 14.085 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.502 -17.383 14.778 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.032 -15.670 14.668 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.575 -16.628 16.096 1.00 0.00 H new ATOM 835 N LEU A 57 -0.397 -14.328 12.931 1.00 0.00 N ATOM 836 CA LEU A 57 -0.092 -13.003 12.404 1.00 0.00 C ATOM 837 C LEU A 57 -1.051 -11.962 12.986 1.00 0.00 C ATOM 838 O LEU A 57 -0.610 -10.916 13.458 1.00 0.00 O ATOM 839 CB LEU A 57 -0.149 -13.029 10.870 1.00 0.00 C ATOM 840 CG LEU A 57 0.956 -13.904 10.251 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.599 -14.233 8.796 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.320 -13.210 10.301 1.00 0.00 C ATOM 0 H LEU A 57 -0.663 -15.000 12.211 1.00 0.00 H new ATOM 0 HA LEU A 57 0.917 -12.719 12.702 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.123 -13.402 10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.058 -12.012 10.489 1.00 0.00 H new ATOM 0 HG LEU A 57 1.024 -14.822 10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.383 -14.852 8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.348 -14.772 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.508 -13.309 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.075 -13.858 9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.272 -12.273 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.586 -13.004 11.338 1.00 0.00 H new ATOM 854 N ARG A 58 -2.355 -12.262 12.979 1.00 0.00 N ATOM 855 CA ARG A 58 -3.377 -11.474 13.655 1.00 0.00 C ATOM 856 C ARG A 58 -2.998 -11.261 15.122 1.00 0.00 C ATOM 857 O ARG A 58 -3.067 -10.138 15.615 1.00 0.00 O ATOM 858 CB ARG A 58 -4.729 -12.184 13.516 1.00 0.00 C ATOM 859 CG ARG A 58 -5.843 -11.495 14.314 1.00 0.00 C ATOM 860 CD ARG A 58 -7.209 -12.124 14.035 1.00 0.00 C ATOM 861 NE ARG A 58 -7.232 -13.549 14.390 1.00 0.00 N ATOM 862 CZ ARG A 58 -8.334 -14.316 14.405 1.00 0.00 C ATOM 863 NH1 ARG A 58 -9.535 -13.801 14.109 1.00 0.00 N ATOM 864 NH2 ARG A 58 -8.230 -15.614 14.720 1.00 0.00 N ATOM 0 H ARG A 58 -2.730 -13.076 12.492 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.454 -10.489 13.195 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.010 -12.219 12.463 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.630 -13.215 13.854 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.622 -11.561 15.379 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.871 -10.435 14.060 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.976 -11.595 14.601 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.455 -12.008 12.979 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.347 -13.988 14.643 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.621 -12.814 13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.363 -14.396 14.125 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.319 -16.013 14.946 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.062 -16.204 14.734 1.00 0.00 H new ATOM 878 N GLY A 59 -2.587 -12.335 15.809 1.00 0.00 N ATOM 879 CA GLY A 59 -2.127 -12.299 17.188 1.00 0.00 C ATOM 880 C GLY A 59 -0.977 -11.311 17.391 1.00 0.00 C ATOM 881 O GLY A 59 -0.998 -10.539 18.345 1.00 0.00 O ATOM 0 H GLY A 59 -2.568 -13.271 15.404 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.957 -12.025 17.839 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.803 -13.296 17.487 1.00 0.00 H new ATOM 885 N ALA A 60 0.021 -11.331 16.500 1.00 0.00 N ATOM 886 CA ALA A 60 1.182 -10.451 16.563 1.00 0.00 C ATOM 887 C ALA A 60 0.780 -8.984 16.385 1.00 0.00 C ATOM 888 O ALA A 60 1.221 -8.122 17.143 1.00 0.00 O ATOM 889 CB ALA A 60 2.200 -10.872 15.499 1.00 0.00 C ATOM 0 H ALA A 60 0.040 -11.970 15.705 1.00 0.00 H new ATOM 0 HA ALA A 60 1.637 -10.543 17.549 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.068 -10.214 15.546 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.513 -11.900 15.682 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.744 -10.802 14.511 1.00 0.00 H new ATOM 895 N ILE A 61 -0.063 -8.701 15.387 1.00 0.00 N ATOM 896 CA ILE A 61 -0.559 -7.360 15.101 1.00 0.00 C ATOM 897 C ILE A 61 -1.376 -6.835 16.291 1.00 0.00 C ATOM 898 O ILE A 61 -1.224 -5.684 16.696 1.00 0.00 O ATOM 899 CB ILE A 61 -1.349 -7.384 13.780 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.425 -7.735 12.597 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.999 -6.019 13.528 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.205 -8.259 11.388 1.00 0.00 C ATOM 0 H ILE A 61 -0.423 -9.411 14.748 1.00 0.00 H new ATOM 0 HA ILE A 61 0.269 -6.663 14.969 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.123 -8.147 13.863 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.141 -6.850 12.306 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.298 -8.486 12.914 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.555 -6.048 12.591 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.679 -5.783 14.346 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.226 -5.253 13.467 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.511 -8.492 10.581 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.750 -9.160 11.669 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.910 -7.498 11.052 1.00 0.00 H new ATOM 914 N GLU A 62 -2.233 -7.692 16.858 1.00 0.00 N ATOM 915 CA GLU A 62 -3.026 -7.396 18.042 1.00 0.00 C ATOM 916 C GLU A 62 -2.125 -7.123 19.250 1.00 0.00 C ATOM 917 O GLU A 62 -2.392 -6.198 20.014 1.00 0.00 O ATOM 918 CB GLU A 62 -3.998 -8.558 18.285 1.00 0.00 C ATOM 919 CG GLU A 62 -4.999 -8.260 19.403 1.00 0.00 C ATOM 920 CD GLU A 62 -6.026 -9.383 19.513 1.00 0.00 C ATOM 921 OE1 GLU A 62 -5.717 -10.368 20.218 1.00 0.00 O ATOM 922 OE2 GLU A 62 -7.098 -9.240 18.887 1.00 0.00 O ATOM 0 H GLU A 62 -2.393 -8.631 16.493 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.607 -6.487 17.887 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.540 -8.773 17.364 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.432 -9.454 18.538 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.472 -8.147 20.350 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.504 -7.315 19.204 1.00 0.00 H new ATOM 929 N ASP A 63 -1.058 -7.916 19.413 1.00 0.00 N ATOM 930 CA ASP A 63 -0.090 -7.766 20.490 1.00 0.00 C ATOM 931 C ASP A 63 0.611 -6.406 20.417 1.00 0.00 C ATOM 932 O ASP A 63 0.761 -5.750 21.445 1.00 0.00 O ATOM 933 CB ASP A 63 0.915 -8.924 20.460 1.00 0.00 C ATOM 934 CG ASP A 63 1.928 -8.819 21.597 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.557 -9.207 22.727 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.052 -8.350 21.316 1.00 0.00 O ATOM 0 H ASP A 63 -0.846 -8.691 18.785 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.619 -7.801 21.442 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.381 -9.872 20.534 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.439 -8.927 19.504 1.00 0.00 H new ATOM 941 N MET A 64 1.024 -5.976 19.215 1.00 0.00 N ATOM 942 CA MET A 64 1.570 -4.638 19.014 1.00 0.00 C ATOM 943 C MET A 64 0.540 -3.581 19.416 1.00 0.00 C ATOM 944 O MET A 64 0.859 -2.688 20.198 1.00 0.00 O ATOM 945 CB MET A 64 2.028 -4.432 17.565 1.00 0.00 C ATOM 946 CG MET A 64 3.302 -5.221 17.247 1.00 0.00 C ATOM 947 SD MET A 64 4.091 -4.784 15.674 1.00 0.00 S ATOM 948 CE MET A 64 2.788 -5.259 14.516 1.00 0.00 C ATOM 0 H MET A 64 0.987 -6.543 18.368 1.00 0.00 H new ATOM 0 HA MET A 64 2.447 -4.531 19.652 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.232 -4.740 16.886 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.205 -3.371 17.388 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.019 -5.067 18.053 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.061 -6.284 17.234 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.147 -5.137 13.494 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.515 -6.301 14.683 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.915 -4.626 14.671 1.00 0.00 H new ATOM 958 N GLY A 65 -0.690 -3.697 18.896 1.00 0.00 N ATOM 959 CA GLY A 65 -1.822 -2.884 19.319 1.00 0.00 C ATOM 960 C GLY A 65 -2.570 -2.295 18.131 1.00 0.00 C ATOM 961 O GLY A 65 -2.671 -1.075 18.012 1.00 0.00 O ATOM 0 H GLY A 65 -0.922 -4.367 18.163 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.504 -3.492 19.913 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.470 -2.078 19.963 1.00 0.00 H new ATOM 965 N PHE A 66 -3.109 -3.163 17.267 1.00 0.00 N ATOM 966 CA PHE A 66 -4.004 -2.776 16.183 1.00 0.00 C ATOM 967 C PHE A 66 -5.113 -3.820 16.078 1.00 0.00 C ATOM 968 O PHE A 66 -4.859 -5.010 16.257 1.00 0.00 O ATOM 969 CB PHE A 66 -3.241 -2.650 14.861 1.00 0.00 C ATOM 970 CG PHE A 66 -2.000 -1.782 14.916 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.105 -0.394 14.722 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.747 -2.359 15.200 1.00 0.00 C ATOM 973 CE1 PHE A 66 -0.960 0.418 14.810 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.397 -1.548 15.290 1.00 0.00 C ATOM 975 CZ PHE A 66 0.292 -0.161 15.088 1.00 0.00 C ATOM 0 H PHE A 66 -2.930 -4.166 17.306 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.438 -1.799 16.395 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.954 -3.648 14.529 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.916 -2.245 14.107 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.066 0.049 14.505 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.665 -3.426 15.349 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.042 1.485 14.664 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.356 -1.990 15.514 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.173 0.461 15.146 1.00 0.00 H new ATOM 985 N ASP A 67 -6.342 -3.376 15.797 1.00 0.00 N ATOM 986 CA ASP A 67 -7.520 -4.229 15.766 1.00 0.00 C ATOM 987 C ASP A 67 -7.513 -5.062 14.484 1.00 0.00 C ATOM 988 O ASP A 67 -8.030 -4.628 13.455 1.00 0.00 O ATOM 989 CB ASP A 67 -8.782 -3.367 15.882 1.00 0.00 C ATOM 990 CG ASP A 67 -8.815 -2.584 17.191 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.265 -3.174 18.197 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.386 -1.410 17.163 1.00 0.00 O ATOM 0 H ASP A 67 -6.543 -2.399 15.583 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.510 -4.917 16.611 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.827 -2.673 15.042 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.664 -4.004 15.817 1.00 0.00 H new ATOM 997 N ALA A 68 -6.918 -6.258 14.561 1.00 0.00 N ATOM 998 CA ALA A 68 -6.699 -7.148 13.429 1.00 0.00 C ATOM 999 C ALA A 68 -7.771 -8.236 13.393 1.00 0.00 C ATOM 1000 O ALA A 68 -8.093 -8.825 14.424 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.302 -7.755 13.541 1.00 0.00 C ATOM 0 H ALA A 68 -6.568 -6.639 15.440 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.770 -6.586 12.497 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.127 -8.424 12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.558 -6.959 13.533 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.223 -8.317 14.472 1.00 0.00 H new ATOM 1007 N THR A 69 -8.323 -8.490 12.200 1.00 0.00 N ATOM 1008 CA THR A 69 -9.367 -9.479 11.955 1.00 0.00 C ATOM 1009 C THR A 69 -9.120 -10.111 10.585 1.00 0.00 C ATOM 1010 O THR A 69 -8.858 -9.399 9.618 1.00 0.00 O ATOM 1011 CB THR A 69 -10.745 -8.800 12.016 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.945 -8.226 13.291 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.882 -9.796 11.758 1.00 0.00 C ATOM 0 H THR A 69 -8.042 -7.994 11.354 1.00 0.00 H new ATOM 0 HA THR A 69 -9.346 -10.259 12.716 1.00 0.00 H new ATOM 0 HB THR A 69 -10.760 -8.035 11.240 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.824 -7.794 13.321 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.839 -9.277 11.810 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.762 -10.237 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.855 -10.583 12.512 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.199 -11.445 10.501 1.00 0.00 N ATOM 1022 CA LEU A 70 -8.959 -12.183 9.267 1.00 0.00 C ATOM 1023 C LEU A 70 -10.029 -11.829 8.233 1.00 0.00 C ATOM 1024 O LEU A 70 -11.219 -11.904 8.535 1.00 0.00 O ATOM 1025 CB LEU A 70 -8.970 -13.697 9.532 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.050 -14.154 10.675 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.100 -15.681 10.799 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.600 -13.707 10.471 1.00 0.00 C ATOM 0 H LEU A 70 -9.433 -12.041 11.295 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.978 -11.905 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.990 -14.005 9.760 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.677 -14.214 8.619 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.413 -13.686 11.590 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.447 -16.002 11.610 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.122 -15.996 11.010 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.767 -16.133 9.865 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.991 -14.055 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.217 -14.128 9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.558 -12.619 10.420 1.00 0.00 H new