USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 826 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 67 GLN : amide:sc= 0.0772 K(o=0.24,f=-0.41) USER MOD Set 1.2: A 70 SER OG : rot -148:sc= 0.161 USER MOD Set 2.1: A 40 CYS SG : rot 150:sc= 0.833 USER MOD Set 2.2: A 65 THR OG1 : rot 169:sc= 1.32 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 17 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.11) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= 0.0416 (180deg=-0.0244) USER MOD Single : A 21 ASN : amide:sc= -0.711 X(o=-0.71,f=-0.54) USER MOD Single : A 25 THR OG1 : rot -24:sc= 0.434 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.12) USER MOD Single : A 37 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -44:sc= -0.445 USER MOD Single : A 43 TYR OH : rot -98:sc= 0.631 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 172:sc= -0.373 USER MOD Single : A 49 THR OG1 : rot 93:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0352 USER MOD Single : A 75 ASN : amide:sc= -0.765 X(o=-0.77,f=-1) USER MOD Single : A 76 MET CE :methyl -124:sc= -1.2 (180deg=-3.56!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.352 USER MOD Single : A 98 ASN :FLIP amide:sc= -1.26 F(o=-2.3,f=-1.3) USER MOD Single : A 100 SER OG : rot 180:sc= 0.403 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -130:sc= -5.16! (180deg=-9.32!) USER MOD Single : A 104 TYR OH : rot 30:sc= -0.368 USER MOD Single : A 105 CYS SG : rot 180:sc=-0.00071 USER MOD Single : A 106 SER OG : rot 180:sc= 0.018 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 16.436 7.997 -8.512 1.00 0.00 N ATOM 26 CA ILE A 3 17.461 7.168 -9.132 1.00 0.00 C ATOM 27 C ILE A 3 18.266 6.411 -8.081 1.00 0.00 C ATOM 28 O ILE A 3 18.480 6.904 -6.973 1.00 0.00 O ATOM 29 CB ILE A 3 18.423 8.009 -9.992 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.634 8.906 -10.948 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.371 7.105 -10.765 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.511 9.766 -11.831 1.00 0.00 C ATOM 0 HA ILE A 3 16.944 6.455 -9.773 1.00 0.00 H new ATOM 0 HB ILE A 3 19.015 8.644 -9.333 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.999 8.283 -11.577 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.974 9.550 -10.367 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.044 7.714 -11.368 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.953 6.505 -10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.796 6.447 -11.416 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.885 10.376 -12.483 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.128 10.415 -11.209 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.153 9.128 -12.438 1.00 0.00 H new ATOM 44 N LYS A 4 18.713 5.211 -8.436 1.00 0.00 N ATOM 45 CA LYS A 4 19.498 4.386 -7.526 1.00 0.00 C ATOM 46 C LYS A 4 20.935 4.891 -7.436 1.00 0.00 C ATOM 47 O LYS A 4 21.507 5.344 -8.426 1.00 0.00 O ATOM 48 CB LYS A 4 19.487 2.928 -7.989 1.00 0.00 C ATOM 49 CG LYS A 4 20.068 2.726 -9.377 1.00 0.00 C ATOM 50 CD LYS A 4 20.813 1.405 -9.483 1.00 0.00 C ATOM 51 CE LYS A 4 21.994 1.507 -10.437 1.00 0.00 C ATOM 52 NZ LYS A 4 22.681 0.197 -10.609 1.00 0.00 N ATOM 0 H LYS A 4 18.545 4.788 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 4 19.046 4.450 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.051 2.325 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.461 2.559 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.267 2.753 -10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.746 3.547 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.166 1.105 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.131 0.628 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.648 1.866 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.704 2.243 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 23.480 0.307 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.033 -0.134 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.010 -0.499 -10.993 1.00 0.00 H new ATOM 66 N GLY A 5 21.513 4.808 -6.241 1.00 0.00 N ATOM 67 CA GLY A 5 22.878 5.259 -6.045 1.00 0.00 C ATOM 68 C GLY A 5 23.034 6.750 -6.268 1.00 0.00 C ATOM 69 O GLY A 5 22.873 7.544 -5.341 1.00 0.00 O ATOM 0 H GLY A 5 21.060 4.437 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 5 23.197 5.011 -5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.536 4.722 -6.728 1.00 0.00 H new ATOM 73 N VAL A 6 23.349 7.133 -7.501 1.00 0.00 N ATOM 74 CA VAL A 6 23.528 8.539 -7.843 1.00 0.00 C ATOM 75 C VAL A 6 23.590 8.734 -9.354 1.00 0.00 C ATOM 76 O VAL A 6 24.198 9.685 -9.845 1.00 0.00 O ATOM 77 CB VAL A 6 24.809 9.113 -7.210 1.00 0.00 C ATOM 78 CG1 VAL A 6 26.041 8.604 -7.942 1.00 0.00 C ATOM 79 CG2 VAL A 6 24.769 10.633 -7.211 1.00 0.00 C ATOM 0 H VAL A 6 23.486 6.489 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 6 22.665 9.073 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 6 24.865 8.775 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 6 26.936 9.020 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.075 7.516 -7.884 1.00 0.00 H new ATOM 0 HG13 VAL A 6 25.996 8.910 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 6 25.682 11.021 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 6 24.689 10.994 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 6 23.907 10.975 -6.637 1.00 0.00 H new ATOM 89 N THR A 7 22.955 7.826 -10.089 1.00 0.00 N ATOM 90 CA THR A 7 22.938 7.896 -11.544 1.00 0.00 C ATOM 91 C THR A 7 22.056 9.041 -12.029 1.00 0.00 C ATOM 92 O THR A 7 21.335 9.658 -11.244 1.00 0.00 O ATOM 93 CB THR A 7 22.436 6.579 -12.165 1.00 0.00 C ATOM 94 OG1 THR A 7 22.530 5.519 -11.206 1.00 0.00 O ATOM 95 CG2 THR A 7 23.244 6.222 -13.403 1.00 0.00 C ATOM 0 H THR A 7 22.445 7.033 -9.699 1.00 0.00 H new ATOM 0 HA THR A 7 23.965 8.071 -11.863 1.00 0.00 H new ATOM 0 HB THR A 7 21.395 6.714 -12.457 1.00 0.00 H new ATOM 0 HG1 THR A 7 22.207 4.685 -11.607 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.871 5.288 -13.824 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.148 7.017 -14.142 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.293 6.104 -13.131 1.00 0.00 H new ATOM 103 N PHE A 8 22.117 9.321 -13.327 1.00 0.00 N ATOM 104 CA PHE A 8 21.324 10.393 -13.916 1.00 0.00 C ATOM 105 C PHE A 8 21.477 10.412 -15.434 1.00 0.00 C ATOM 106 O PHE A 8 22.587 10.318 -15.958 1.00 0.00 O ATOM 107 CB PHE A 8 21.741 11.745 -13.333 1.00 0.00 C ATOM 108 CG PHE A 8 23.090 12.210 -13.802 1.00 0.00 C ATOM 109 CD1 PHE A 8 23.212 12.983 -14.945 1.00 0.00 C ATOM 110 CD2 PHE A 8 24.236 11.873 -13.100 1.00 0.00 C ATOM 111 CE1 PHE A 8 24.452 13.412 -15.379 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.479 12.299 -13.529 1.00 0.00 C ATOM 113 CZ PHE A 8 25.587 13.070 -14.669 1.00 0.00 C ATOM 0 H PHE A 8 22.708 8.820 -13.991 1.00 0.00 H new ATOM 0 HA PHE A 8 20.277 10.210 -13.676 1.00 0.00 H new ATOM 0 HB2 PHE A 8 20.995 12.493 -13.601 1.00 0.00 H new ATOM 0 HB3 PHE A 8 21.747 11.676 -12.245 1.00 0.00 H new ATOM 0 HD1 PHE A 8 22.328 13.254 -15.503 1.00 0.00 H new ATOM 0 HD2 PHE A 8 24.157 11.270 -12.207 1.00 0.00 H new ATOM 0 HE1 PHE A 8 24.534 14.014 -16.272 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.365 12.029 -12.973 1.00 0.00 H new ATOM 0 HZ PHE A 8 26.557 13.405 -15.005 1.00 0.00 H new ATOM 123 N GLY A 9 20.354 10.534 -16.135 1.00 0.00 N ATOM 124 CA GLY A 9 20.385 10.562 -17.586 1.00 0.00 C ATOM 125 C GLY A 9 21.154 9.395 -18.172 1.00 0.00 C ATOM 126 O GLY A 9 22.211 9.581 -18.774 1.00 0.00 O ATOM 0 H GLY A 9 19.424 10.614 -15.724 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.364 10.549 -17.968 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.838 11.496 -17.919 1.00 0.00 H new ATOM 130 N GLU A 10 20.623 8.189 -17.995 1.00 0.00 N ATOM 131 CA GLU A 10 21.269 6.988 -18.510 1.00 0.00 C ATOM 132 C GLU A 10 20.528 6.453 -19.732 1.00 0.00 C ATOM 133 O GLU A 10 21.095 6.353 -20.820 1.00 0.00 O ATOM 134 CB GLU A 10 21.331 5.910 -17.425 1.00 0.00 C ATOM 135 CG GLU A 10 22.614 5.937 -16.612 1.00 0.00 C ATOM 136 CD GLU A 10 23.812 5.439 -17.398 1.00 0.00 C ATOM 137 OE1 GLU A 10 23.652 5.145 -18.601 1.00 0.00 O ATOM 138 OE2 GLU A 10 24.909 5.343 -16.810 1.00 0.00 O ATOM 0 H GLU A 10 19.748 8.018 -17.499 1.00 0.00 H new ATOM 0 HA GLU A 10 22.284 7.252 -18.808 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.482 6.034 -16.753 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.227 4.930 -17.892 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.804 6.955 -16.273 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.488 5.323 -15.720 1.00 0.00 H new ATOM 145 N ASP A 11 19.259 6.109 -19.543 1.00 0.00 N ATOM 146 CA ASP A 11 18.439 5.585 -20.629 1.00 0.00 C ATOM 147 C ASP A 11 16.969 5.929 -20.415 1.00 0.00 C ATOM 148 O ASP A 11 16.375 6.677 -21.193 1.00 0.00 O ATOM 149 CB ASP A 11 18.610 4.069 -20.739 1.00 0.00 C ATOM 150 CG ASP A 11 18.799 3.610 -22.172 1.00 0.00 C ATOM 151 OD1 ASP A 11 19.961 3.548 -22.627 1.00 0.00 O ATOM 152 OD2 ASP A 11 17.786 3.312 -22.838 1.00 0.00 O ATOM 0 H ASP A 11 18.776 6.184 -18.648 1.00 0.00 H new ATOM 0 HA ASP A 11 18.770 6.049 -21.558 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.470 3.759 -20.145 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.735 3.576 -20.315 1.00 0.00 H new ATOM 157 N THR A 12 16.385 5.377 -19.356 1.00 0.00 N ATOM 158 CA THR A 12 14.983 5.624 -19.041 1.00 0.00 C ATOM 159 C THR A 12 14.628 5.086 -17.659 1.00 0.00 C ATOM 160 O THR A 12 15.440 4.426 -17.011 1.00 0.00 O ATOM 161 CB THR A 12 14.051 4.981 -20.085 1.00 0.00 C ATOM 162 OG1 THR A 12 12.702 5.409 -19.867 1.00 0.00 O ATOM 163 CG2 THR A 12 14.124 3.463 -20.014 1.00 0.00 C ATOM 0 H THR A 12 16.861 4.756 -18.702 1.00 0.00 H new ATOM 0 HA THR A 12 14.841 6.705 -19.055 1.00 0.00 H new ATOM 0 HB THR A 12 14.377 5.299 -21.075 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.116 4.997 -20.536 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.457 3.031 -20.761 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.146 3.138 -20.209 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.821 3.130 -19.021 1.00 0.00 H new ATOM 171 N VAL A 13 13.409 5.373 -17.214 1.00 0.00 N ATOM 172 CA VAL A 13 12.945 4.916 -15.909 1.00 0.00 C ATOM 173 C VAL A 13 12.349 3.516 -15.997 1.00 0.00 C ATOM 174 O VAL A 13 12.004 3.044 -17.080 1.00 0.00 O ATOM 175 CB VAL A 13 11.892 5.875 -15.321 1.00 0.00 C ATOM 176 CG1 VAL A 13 11.871 5.779 -13.803 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.162 7.303 -15.770 1.00 0.00 C ATOM 0 H VAL A 13 12.725 5.920 -17.737 1.00 0.00 H new ATOM 0 HA VAL A 13 13.815 4.896 -15.252 1.00 0.00 H new ATOM 0 HB VAL A 13 10.910 5.581 -15.693 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.121 6.463 -13.405 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.625 4.759 -13.506 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.851 6.045 -13.408 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.409 7.967 -15.345 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.150 7.611 -15.429 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.121 7.356 -16.858 1.00 0.00 H new ATOM 187 N TRP A 14 12.230 2.857 -14.850 1.00 0.00 N ATOM 188 CA TRP A 14 11.675 1.509 -14.797 1.00 0.00 C ATOM 189 C TRP A 14 12.530 0.536 -15.600 1.00 0.00 C ATOM 190 O TRP A 14 12.082 -0.555 -15.949 1.00 0.00 O ATOM 191 CB TRP A 14 10.240 1.506 -15.328 1.00 0.00 C ATOM 192 CG TRP A 14 9.272 2.211 -14.428 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.226 3.550 -14.162 1.00 0.00 C ATOM 194 CD2 TRP A 14 8.211 1.614 -13.674 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.201 3.821 -13.288 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.563 2.650 -12.974 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.745 0.305 -13.523 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.475 2.416 -12.138 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.665 0.074 -12.692 1.00 0.00 C ATOM 200 CH2 TRP A 14 6.039 1.125 -12.009 1.00 0.00 C ATOM 0 H TRP A 14 12.510 3.234 -13.944 1.00 0.00 H new ATOM 0 HA TRP A 14 11.671 1.185 -13.756 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.223 1.979 -16.310 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.913 0.475 -15.465 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.897 4.287 -14.578 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.955 4.744 -12.931 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.220 -0.511 -14.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.992 3.225 -11.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.297 -0.934 -12.567 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.196 0.912 -11.368 1.00 0.00 H new ATOM 211 N GLU A 15 13.763 0.939 -15.891 1.00 0.00 N ATOM 212 CA GLU A 15 14.680 0.101 -16.654 1.00 0.00 C ATOM 213 C GLU A 15 16.078 0.127 -16.043 1.00 0.00 C ATOM 214 O GLU A 15 16.763 -0.894 -15.988 1.00 0.00 O ATOM 215 CB GLU A 15 14.739 0.566 -18.110 1.00 0.00 C ATOM 216 CG GLU A 15 13.772 -0.167 -19.024 1.00 0.00 C ATOM 217 CD GLU A 15 14.291 -1.525 -19.453 1.00 0.00 C ATOM 218 OE1 GLU A 15 15.446 -1.853 -19.112 1.00 0.00 O ATOM 219 OE2 GLU A 15 13.542 -2.260 -20.131 1.00 0.00 O ATOM 0 H GLU A 15 14.149 1.840 -15.610 1.00 0.00 H new ATOM 0 HA GLU A 15 14.308 -0.923 -16.622 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.525 1.634 -18.150 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.753 0.430 -18.485 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.818 -0.292 -18.512 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.582 0.441 -19.908 1.00 0.00 H new ATOM 226 N VAL A 16 16.496 1.303 -15.586 1.00 0.00 N ATOM 227 CA VAL A 16 17.812 1.464 -14.979 1.00 0.00 C ATOM 228 C VAL A 16 17.702 2.065 -13.582 1.00 0.00 C ATOM 229 O VAL A 16 18.510 1.765 -12.702 1.00 0.00 O ATOM 230 CB VAL A 16 18.722 2.359 -15.840 1.00 0.00 C ATOM 231 CG1 VAL A 16 18.180 3.779 -15.892 1.00 0.00 C ATOM 232 CG2 VAL A 16 20.146 2.342 -15.305 1.00 0.00 C ATOM 0 H VAL A 16 15.942 2.159 -15.625 1.00 0.00 H new ATOM 0 HA VAL A 16 18.253 0.470 -14.911 1.00 0.00 H new ATOM 0 HB VAL A 16 18.735 1.964 -16.856 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.836 4.397 -16.505 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.180 3.771 -16.326 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.135 4.188 -14.883 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.775 2.980 -15.926 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.154 2.712 -14.280 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.530 1.322 -15.326 1.00 0.00 H new ATOM 242 N GLN A 17 16.698 2.913 -13.385 1.00 0.00 N ATOM 243 CA GLN A 17 16.484 3.556 -12.094 1.00 0.00 C ATOM 244 C GLN A 17 16.466 2.526 -10.969 1.00 0.00 C ATOM 245 O GLN A 17 16.977 2.774 -9.878 1.00 0.00 O ATOM 246 CB GLN A 17 15.171 4.341 -12.103 1.00 0.00 C ATOM 247 CG GLN A 17 14.551 4.505 -10.725 1.00 0.00 C ATOM 248 CD GLN A 17 13.430 5.527 -10.708 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.670 6.725 -10.558 1.00 0.00 O ATOM 250 NE2 GLN A 17 12.198 5.057 -10.861 1.00 0.00 N ATOM 0 H GLN A 17 16.020 3.171 -14.102 1.00 0.00 H new ATOM 0 HA GLN A 17 17.310 4.245 -11.918 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.350 5.327 -12.532 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.459 3.835 -12.755 1.00 0.00 H new ATOM 0 HG2 GLN A 17 14.166 3.543 -10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.323 4.806 -10.017 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.046 4.056 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.404 5.697 -10.857 1.00 0.00 H new ATOM 259 N GLY A 18 15.873 1.368 -11.243 1.00 0.00 N ATOM 260 CA GLY A 18 15.799 0.317 -10.244 1.00 0.00 C ATOM 261 C GLY A 18 14.743 0.592 -9.191 1.00 0.00 C ATOM 262 O GLY A 18 14.917 0.244 -8.023 1.00 0.00 O ATOM 0 H GLY A 18 15.442 1.139 -12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.580 -0.632 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.770 0.210 -9.761 1.00 0.00 H new ATOM 266 N TYR A 19 13.648 1.220 -9.604 1.00 0.00 N ATOM 267 CA TYR A 19 12.562 1.545 -8.686 1.00 0.00 C ATOM 268 C TYR A 19 11.233 1.646 -9.429 1.00 0.00 C ATOM 269 O TYR A 19 11.200 1.769 -10.653 1.00 0.00 O ATOM 270 CB TYR A 19 12.856 2.859 -7.961 1.00 0.00 C ATOM 271 CG TYR A 19 13.963 2.752 -6.938 1.00 0.00 C ATOM 272 CD1 TYR A 19 13.783 2.031 -5.763 1.00 0.00 C ATOM 273 CD2 TYR A 19 15.189 3.372 -7.144 1.00 0.00 C ATOM 274 CE1 TYR A 19 14.791 1.931 -4.825 1.00 0.00 C ATOM 275 CE2 TYR A 19 16.204 3.276 -6.211 1.00 0.00 C ATOM 276 CZ TYR A 19 16.000 2.555 -5.054 1.00 0.00 C ATOM 277 OH TYR A 19 17.008 2.458 -4.122 1.00 0.00 O ATOM 0 H TYR A 19 13.489 1.514 -10.568 1.00 0.00 H new ATOM 0 HA TYR A 19 12.487 0.742 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.124 3.618 -8.696 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.947 3.202 -7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.838 1.541 -5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.352 3.939 -8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 19 14.634 1.368 -3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.152 3.763 -6.387 1.00 0.00 H new ATOM 0 HH TYR A 19 17.793 2.953 -4.437 1.00 0.00 H new ATOM 287 N LYS A 20 10.138 1.595 -8.678 1.00 0.00 N ATOM 288 CA LYS A 20 8.805 1.683 -9.262 1.00 0.00 C ATOM 289 C LYS A 20 7.932 2.658 -8.479 1.00 0.00 C ATOM 290 O LYS A 20 8.397 3.312 -7.547 1.00 0.00 O ATOM 291 CB LYS A 20 8.146 0.302 -9.290 1.00 0.00 C ATOM 292 CG LYS A 20 8.732 -0.630 -10.337 1.00 0.00 C ATOM 293 CD LYS A 20 10.017 -1.279 -9.850 1.00 0.00 C ATOM 294 CE LYS A 20 9.973 -2.791 -10.009 1.00 0.00 C ATOM 295 NZ LYS A 20 10.616 -3.234 -11.277 1.00 0.00 N ATOM 0 H LYS A 20 10.148 1.493 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 20 8.906 2.052 -10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.247 -0.159 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.079 0.421 -9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.005 -1.403 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.929 -0.072 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.863 -0.878 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.179 -1.027 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.476 -3.260 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.937 -3.128 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.911 -3.710 -11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.996 -2.407 -11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.390 -3.894 -11.061 1.00 0.00 H new ATOM 309 N ASN A 21 6.663 2.749 -8.864 1.00 0.00 N ATOM 310 CA ASN A 21 5.724 3.645 -8.197 1.00 0.00 C ATOM 311 C ASN A 21 4.326 3.035 -8.157 1.00 0.00 C ATOM 312 O ASN A 21 3.640 2.961 -9.176 1.00 0.00 O ATOM 313 CB ASN A 21 5.682 4.997 -8.911 1.00 0.00 C ATOM 314 CG ASN A 21 7.061 5.606 -9.079 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.517 6.378 -8.235 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.732 5.259 -10.171 1.00 0.00 N ATOM 0 H ASN A 21 6.261 2.214 -9.634 1.00 0.00 H new ATOM 0 HA ASN A 21 6.067 3.793 -7.173 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.221 4.873 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.051 5.683 -8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.665 5.636 -10.337 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.314 4.616 -10.843 1.00 0.00 H new ATOM 323 N VAL A 22 3.910 2.600 -6.971 1.00 0.00 N ATOM 324 CA VAL A 22 2.594 1.998 -6.797 1.00 0.00 C ATOM 325 C VAL A 22 1.720 2.845 -5.878 1.00 0.00 C ATOM 326 O VAL A 22 2.224 3.564 -5.015 1.00 0.00 O ATOM 327 CB VAL A 22 2.700 0.575 -6.218 1.00 0.00 C ATOM 328 CG1 VAL A 22 3.213 0.617 -4.786 1.00 0.00 C ATOM 329 CG2 VAL A 22 1.354 -0.131 -6.290 1.00 0.00 C ATOM 0 H VAL A 22 4.466 2.654 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 22 2.136 1.947 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 22 3.414 0.010 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.281 -0.398 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.199 1.081 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.527 1.198 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.447 -1.135 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.617 0.431 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.032 -0.195 -7.329 1.00 0.00 H new ATOM 339 N ARG A 23 0.408 2.754 -6.070 1.00 0.00 N ATOM 340 CA ARG A 23 -0.537 3.512 -5.259 1.00 0.00 C ATOM 341 C ARG A 23 -1.694 2.629 -4.803 1.00 0.00 C ATOM 342 O ARG A 23 -1.993 1.610 -5.428 1.00 0.00 O ATOM 343 CB ARG A 23 -1.073 4.708 -6.047 1.00 0.00 C ATOM 344 CG ARG A 23 -0.528 6.045 -5.572 1.00 0.00 C ATOM 345 CD ARG A 23 0.860 6.312 -6.133 1.00 0.00 C ATOM 346 NE ARG A 23 1.054 7.720 -6.469 1.00 0.00 N ATOM 347 CZ ARG A 23 2.077 8.170 -7.187 1.00 0.00 C ATOM 348 NH1 ARG A 23 2.994 7.327 -7.642 1.00 0.00 N ATOM 349 NH2 ARG A 23 2.184 9.466 -7.452 1.00 0.00 N ATOM 0 H ARG A 23 -0.025 2.163 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.010 3.874 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.826 4.578 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.160 4.722 -5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.204 6.844 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.490 6.057 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.610 6.007 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.014 5.702 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 23 0.366 8.395 -6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.915 6.330 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.778 7.675 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.480 10.117 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.970 9.811 -8.003 1.00 0.00 H new ATOM 363 N ILE A 24 -2.341 3.025 -3.713 1.00 0.00 N ATOM 364 CA ILE A 24 -3.466 2.270 -3.175 1.00 0.00 C ATOM 365 C ILE A 24 -4.697 3.155 -3.016 1.00 0.00 C ATOM 366 O ILE A 24 -4.625 4.241 -2.440 1.00 0.00 O ATOM 367 CB ILE A 24 -3.121 1.640 -1.812 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.890 0.740 -1.939 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.307 0.853 -1.277 1.00 0.00 C ATOM 370 CD1 ILE A 24 -2.095 -0.436 -2.868 1.00 0.00 C ATOM 0 H ILE A 24 -2.106 3.865 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.683 1.476 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.892 2.439 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.050 1.335 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.618 0.369 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.048 0.414 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.160 1.520 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.564 0.060 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.182 -1.030 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.913 -1.054 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.337 -0.073 -3.867 1.00 0.00 H new ATOM 382 N THR A 25 -5.829 2.683 -3.530 1.00 0.00 N ATOM 383 CA THR A 25 -7.077 3.431 -3.445 1.00 0.00 C ATOM 384 C THR A 25 -8.280 2.519 -3.662 1.00 0.00 C ATOM 385 O THR A 25 -8.954 2.599 -4.688 1.00 0.00 O ATOM 386 CB THR A 25 -7.119 4.572 -4.478 1.00 0.00 C ATOM 387 OG1 THR A 25 -5.933 5.367 -4.379 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.343 5.450 -4.265 1.00 0.00 C ATOM 0 H THR A 25 -5.907 1.786 -4.009 1.00 0.00 H new ATOM 0 HA THR A 25 -7.123 3.857 -2.443 1.00 0.00 H new ATOM 0 HB THR A 25 -7.177 4.130 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.553 5.277 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.351 6.249 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.245 4.848 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.311 5.883 -3.265 1.00 0.00 H new ATOM 396 N PHE A 26 -8.543 1.654 -2.688 1.00 0.00 N ATOM 397 CA PHE A 26 -9.665 0.727 -2.773 1.00 0.00 C ATOM 398 C PHE A 26 -10.641 0.947 -1.621 1.00 0.00 C ATOM 399 O PHE A 26 -11.710 1.528 -1.803 1.00 0.00 O ATOM 400 CB PHE A 26 -9.162 -0.719 -2.761 1.00 0.00 C ATOM 401 CG PHE A 26 -10.266 -1.737 -2.777 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.846 -2.131 -3.972 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.723 -2.302 -1.597 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.862 -3.068 -3.989 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.738 -3.239 -1.608 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.308 -3.624 -2.806 1.00 0.00 C ATOM 0 H PHE A 26 -7.995 1.576 -1.831 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.188 0.915 -3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.519 -0.879 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.548 -0.874 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.500 -1.701 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.280 -2.006 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.307 -3.365 -4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.086 -3.670 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.100 -4.358 -2.818 1.00 0.00 H new ATOM 416 N GLU A 27 -10.264 0.477 -0.436 1.00 0.00 N ATOM 417 CA GLU A 27 -11.107 0.621 0.746 1.00 0.00 C ATOM 418 C GLU A 27 -10.447 -0.015 1.966 1.00 0.00 C ATOM 419 O GLU A 27 -9.883 -1.107 1.882 1.00 0.00 O ATOM 420 CB GLU A 27 -12.477 -0.015 0.503 1.00 0.00 C ATOM 421 CG GLU A 27 -13.640 0.924 0.774 1.00 0.00 C ATOM 422 CD GLU A 27 -14.756 0.778 -0.243 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.085 -0.371 -0.602 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.300 1.815 -0.679 1.00 0.00 O ATOM 0 H GLU A 27 -9.381 -0.006 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.238 1.686 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.531 -0.358 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.577 -0.896 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.034 0.730 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.280 1.953 0.768 1.00 0.00 H new ATOM 431 N LEU A 28 -10.520 0.675 3.098 1.00 0.00 N ATOM 432 CA LEU A 28 -9.930 0.179 4.336 1.00 0.00 C ATOM 433 C LEU A 28 -10.754 0.613 5.544 1.00 0.00 C ATOM 434 O LEU A 28 -11.179 -0.216 6.349 1.00 0.00 O ATOM 435 CB LEU A 28 -8.492 0.683 4.477 1.00 0.00 C ATOM 436 CG LEU A 28 -7.417 -0.393 4.634 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.490 -1.392 3.490 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.035 0.241 4.704 1.00 0.00 C ATOM 0 H LEU A 28 -10.982 1.580 3.184 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.924 -0.910 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.251 1.284 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.443 1.346 5.341 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.598 -0.927 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.717 -2.150 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.470 -1.870 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.335 -0.874 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.282 -0.539 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.845 0.801 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.987 0.916 5.558 1.00 0.00 H new ATOM 450 N ASP A 29 -10.976 1.917 5.664 1.00 0.00 N ATOM 451 CA ASP A 29 -11.752 2.462 6.772 1.00 0.00 C ATOM 452 C ASP A 29 -12.768 3.485 6.273 1.00 0.00 C ATOM 453 O ASP A 29 -12.671 3.971 5.147 1.00 0.00 O ATOM 454 CB ASP A 29 -10.825 3.107 7.804 1.00 0.00 C ATOM 455 CG ASP A 29 -11.192 2.732 9.226 1.00 0.00 C ATOM 456 OD1 ASP A 29 -12.252 3.185 9.704 1.00 0.00 O ATOM 457 OD2 ASP A 29 -10.417 1.986 9.862 1.00 0.00 O ATOM 0 H ASP A 29 -10.630 2.617 5.008 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.292 1.641 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.797 2.803 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.864 4.191 7.696 1.00 0.00 H new ATOM 462 N GLU A 30 -13.742 3.806 7.120 1.00 0.00 N ATOM 463 CA GLU A 30 -14.776 4.770 6.763 1.00 0.00 C ATOM 464 C GLU A 30 -14.600 6.070 7.541 1.00 0.00 C ATOM 465 O GLU A 30 -15.070 7.127 7.120 1.00 0.00 O ATOM 466 CB GLU A 30 -16.164 4.185 7.033 1.00 0.00 C ATOM 467 CG GLU A 30 -16.369 3.744 8.472 1.00 0.00 C ATOM 468 CD GLU A 30 -17.762 4.056 8.985 1.00 0.00 C ATOM 469 OE1 GLU A 30 -18.255 5.171 8.718 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.357 3.185 9.653 1.00 0.00 O ATOM 0 H GLU A 30 -13.836 3.413 8.057 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.682 4.988 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.918 4.930 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.324 3.332 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.189 2.672 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.633 4.237 9.107 1.00 0.00 H new ATOM 477 N ARG A 31 -13.919 5.984 8.679 1.00 0.00 N ATOM 478 CA ARG A 31 -13.682 7.153 9.518 1.00 0.00 C ATOM 479 C ARG A 31 -12.243 7.640 9.377 1.00 0.00 C ATOM 480 O ARG A 31 -11.946 8.810 9.617 1.00 0.00 O ATOM 481 CB ARG A 31 -13.980 6.825 10.982 1.00 0.00 C ATOM 482 CG ARG A 31 -15.197 7.551 11.533 1.00 0.00 C ATOM 483 CD ARG A 31 -16.490 6.893 11.080 1.00 0.00 C ATOM 484 NE ARG A 31 -17.652 7.423 11.789 1.00 0.00 N ATOM 485 CZ ARG A 31 -18.193 8.609 11.529 1.00 0.00 C ATOM 486 NH1 ARG A 31 -17.680 9.382 10.582 1.00 0.00 N ATOM 487 NH2 ARG A 31 -19.249 9.022 12.217 1.00 0.00 N ATOM 0 H ARG A 31 -13.522 5.117 9.041 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.350 7.948 9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.133 5.750 11.081 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.110 7.080 11.587 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.154 7.560 12.622 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.182 8.590 11.205 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.618 7.046 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.426 5.817 11.243 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.071 6.852 12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.868 9.067 10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.097 10.292 10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.646 8.429 12.946 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.664 9.932 12.017 1.00 0.00 H new ATOM 501 N VAL A 32 -11.352 6.733 8.987 1.00 0.00 N ATOM 502 CA VAL A 32 -9.944 7.070 8.814 1.00 0.00 C ATOM 503 C VAL A 32 -9.396 6.489 7.516 1.00 0.00 C ATOM 504 O VAL A 32 -8.404 5.759 7.521 1.00 0.00 O ATOM 505 CB VAL A 32 -9.095 6.558 9.992 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.391 7.358 11.252 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.344 5.075 10.223 1.00 0.00 C ATOM 0 H VAL A 32 -11.581 5.760 8.785 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.881 8.158 8.777 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.042 6.693 9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.782 6.982 12.074 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.158 8.409 11.079 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.446 7.258 11.507 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.736 4.730 11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.398 4.914 10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.077 4.517 9.326 1.00 0.00 H new ATOM 517 N ASP A 33 -10.047 6.817 6.406 1.00 0.00 N ATOM 518 CA ASP A 33 -9.624 6.328 5.098 1.00 0.00 C ATOM 519 C ASP A 33 -8.616 7.281 4.462 1.00 0.00 C ATOM 520 O ASP A 33 -7.568 6.858 3.974 1.00 0.00 O ATOM 521 CB ASP A 33 -10.833 6.157 4.178 1.00 0.00 C ATOM 522 CG ASP A 33 -10.748 4.898 3.338 1.00 0.00 C ATOM 523 OD1 ASP A 33 -9.649 4.310 3.259 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.781 4.500 2.760 1.00 0.00 O ATOM 0 H ASP A 33 -10.870 7.419 6.385 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.144 5.359 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.742 6.129 4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.912 7.024 3.522 1.00 0.00 H new ATOM 529 N LYS A 34 -8.941 8.569 4.470 1.00 0.00 N ATOM 530 CA LYS A 34 -8.065 9.583 3.895 1.00 0.00 C ATOM 531 C LYS A 34 -6.701 9.574 4.577 1.00 0.00 C ATOM 532 O LYS A 34 -5.714 10.055 4.019 1.00 0.00 O ATOM 533 CB LYS A 34 -8.702 10.969 4.023 1.00 0.00 C ATOM 534 CG LYS A 34 -8.503 11.606 5.387 1.00 0.00 C ATOM 535 CD LYS A 34 -9.225 10.830 6.476 1.00 0.00 C ATOM 536 CE LYS A 34 -9.682 11.745 7.602 1.00 0.00 C ATOM 537 NZ LYS A 34 -8.549 12.162 8.473 1.00 0.00 N ATOM 0 H LYS A 34 -9.805 8.936 4.869 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.925 9.350 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.282 11.625 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.770 10.889 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.438 11.652 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.869 12.633 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.087 10.318 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.564 10.061 6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.160 12.629 7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.433 11.233 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.862 12.924 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.228 11.350 9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.765 12.504 7.882 1.00 0.00 H new ATOM 551 N VAL A 35 -6.652 9.024 5.786 1.00 0.00 N ATOM 552 CA VAL A 35 -5.408 8.950 6.543 1.00 0.00 C ATOM 553 C VAL A 35 -4.367 8.112 5.809 1.00 0.00 C ATOM 554 O VAL A 35 -3.167 8.243 6.049 1.00 0.00 O ATOM 555 CB VAL A 35 -5.638 8.353 7.944 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.318 8.210 8.687 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.615 9.210 8.734 1.00 0.00 C ATOM 0 H VAL A 35 -7.460 8.623 6.262 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.040 9.971 6.648 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.072 7.360 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.500 7.787 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.655 7.551 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.852 9.190 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.766 8.774 9.721 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.212 10.217 8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.568 9.254 8.207 1.00 0.00 H new ATOM 567 N LEU A 36 -4.835 7.250 4.913 1.00 0.00 N ATOM 568 CA LEU A 36 -3.945 6.389 4.142 1.00 0.00 C ATOM 569 C LEU A 36 -4.020 6.720 2.655 1.00 0.00 C ATOM 570 O LEU A 36 -3.426 6.033 1.826 1.00 0.00 O ATOM 571 CB LEU A 36 -4.304 4.919 4.367 1.00 0.00 C ATOM 572 CG LEU A 36 -5.601 4.437 3.716 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.308 3.380 2.662 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.556 3.894 4.768 1.00 0.00 C ATOM 0 H LEU A 36 -5.826 7.129 4.702 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.925 6.564 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.484 4.305 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.373 4.743 5.440 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.077 5.287 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.243 3.049 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.662 3.803 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.809 2.530 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.473 3.556 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.088 3.057 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.791 4.680 5.486 1.00 0.00 H new ATOM 586 N ASN A 37 -4.752 7.779 2.326 1.00 0.00 N ATOM 587 CA ASN A 37 -4.903 8.203 0.939 1.00 0.00 C ATOM 588 C ASN A 37 -4.280 9.578 0.719 1.00 0.00 C ATOM 589 O ASN A 37 -3.950 9.948 -0.407 1.00 0.00 O ATOM 590 CB ASN A 37 -6.383 8.234 0.551 1.00 0.00 C ATOM 591 CG ASN A 37 -6.882 9.641 0.284 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.875 10.493 1.173 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.317 9.890 -0.945 1.00 0.00 N ATOM 0 H ASN A 37 -5.250 8.359 3.001 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.383 7.483 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.535 7.623 -0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.975 7.787 1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.664 10.819 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.304 9.153 -1.650 1.00 0.00 H new ATOM 600 N GLU A 38 -4.121 10.330 1.804 1.00 0.00 N ATOM 601 CA GLU A 38 -3.537 11.664 1.729 1.00 0.00 C ATOM 602 C GLU A 38 -2.257 11.745 2.555 1.00 0.00 C ATOM 603 O GLU A 38 -1.369 12.548 2.269 1.00 0.00 O ATOM 604 CB GLU A 38 -4.540 12.712 2.219 1.00 0.00 C ATOM 605 CG GLU A 38 -4.585 12.851 3.731 1.00 0.00 C ATOM 606 CD GLU A 38 -5.934 13.327 4.233 1.00 0.00 C ATOM 607 OE1 GLU A 38 -6.833 13.551 3.395 1.00 0.00 O ATOM 608 OE2 GLU A 38 -6.092 13.476 5.463 1.00 0.00 O ATOM 0 H GLU A 38 -4.388 10.038 2.744 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.290 11.866 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.287 13.678 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.534 12.449 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.350 11.890 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.814 13.552 4.051 1.00 0.00 H new ATOM 615 N LYS A 39 -2.169 10.907 3.582 1.00 0.00 N ATOM 616 CA LYS A 39 -0.998 10.881 4.451 1.00 0.00 C ATOM 617 C LYS A 39 0.030 9.872 3.949 1.00 0.00 C ATOM 618 O LYS A 39 1.209 9.945 4.299 1.00 0.00 O ATOM 619 CB LYS A 39 -1.408 10.537 5.885 1.00 0.00 C ATOM 620 CG LYS A 39 -0.638 11.311 6.940 1.00 0.00 C ATOM 621 CD LYS A 39 -1.562 12.172 7.785 1.00 0.00 C ATOM 622 CE LYS A 39 -2.596 11.330 8.516 1.00 0.00 C ATOM 623 NZ LYS A 39 -3.060 11.985 9.770 1.00 0.00 N ATOM 0 H LYS A 39 -2.895 10.236 3.833 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.545 11.872 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.473 10.734 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.261 9.470 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.099 10.615 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.108 11.942 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.974 12.737 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.067 12.898 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.449 11.154 7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.169 10.355 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.764 11.379 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.250 12.130 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.491 12.904 9.543 1.00 0.00 H new ATOM 637 N CYS A 40 -0.424 8.931 3.127 1.00 0.00 N ATOM 638 CA CYS A 40 0.457 7.908 2.576 1.00 0.00 C ATOM 639 C CYS A 40 -0.315 6.960 1.665 1.00 0.00 C ATOM 640 O CYS A 40 -0.787 5.910 2.101 1.00 0.00 O ATOM 641 CB CYS A 40 1.125 7.119 3.704 1.00 0.00 C ATOM 642 SG CYS A 40 -0.010 6.596 5.011 1.00 0.00 S ATOM 0 H CYS A 40 -1.396 8.856 2.828 1.00 0.00 H new ATOM 0 HA CYS A 40 1.226 8.405 1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.606 6.237 3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.912 7.731 4.144 1.00 0.00 H new ATOM 0 HG CYS A 40 0.415 5.485 5.536 1.00 0.00 H new ATOM 648 N SER A 41 -0.440 7.338 0.397 1.00 0.00 N ATOM 649 CA SER A 41 -1.160 6.524 -0.576 1.00 0.00 C ATOM 650 C SER A 41 -0.217 6.014 -1.662 1.00 0.00 C ATOM 651 O SER A 41 -0.547 5.087 -2.401 1.00 0.00 O ATOM 652 CB SER A 41 -2.295 7.332 -1.209 1.00 0.00 C ATOM 653 OG SER A 41 -3.403 6.504 -1.512 1.00 0.00 O ATOM 0 H SER A 41 -0.052 8.202 0.019 1.00 0.00 H new ATOM 0 HA SER A 41 -1.582 5.666 -0.053 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.605 8.125 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.938 7.815 -2.119 1.00 0.00 H new ATOM 0 HG SER A 41 -3.088 5.676 -1.931 1.00 0.00 H new ATOM 659 N VAL A 42 0.959 6.628 -1.751 1.00 0.00 N ATOM 660 CA VAL A 42 1.952 6.237 -2.745 1.00 0.00 C ATOM 661 C VAL A 42 3.099 5.466 -2.102 1.00 0.00 C ATOM 662 O VAL A 42 3.526 5.780 -0.990 1.00 0.00 O ATOM 663 CB VAL A 42 2.522 7.463 -3.482 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.908 8.550 -2.490 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.713 7.063 -4.339 1.00 0.00 C ATOM 0 H VAL A 42 1.247 7.398 -1.147 1.00 0.00 H new ATOM 0 HA VAL A 42 1.444 5.594 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 42 1.750 7.862 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.309 9.409 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.028 8.855 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.664 8.166 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.103 7.942 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.491 6.638 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.400 6.322 -5.075 1.00 0.00 H new ATOM 675 N TYR A 43 3.594 4.455 -2.808 1.00 0.00 N ATOM 676 CA TYR A 43 4.692 3.637 -2.305 1.00 0.00 C ATOM 677 C TYR A 43 5.689 3.322 -3.416 1.00 0.00 C ATOM 678 O TYR A 43 5.305 3.049 -4.553 1.00 0.00 O ATOM 679 CB TYR A 43 4.153 2.338 -1.704 1.00 0.00 C ATOM 680 CG TYR A 43 2.911 2.529 -0.864 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.657 2.632 -1.454 1.00 0.00 C ATOM 682 CD2 TYR A 43 2.990 2.605 0.521 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.520 2.807 -0.690 1.00 0.00 C ATOM 684 CE2 TYR A 43 1.858 2.778 1.294 1.00 0.00 C ATOM 685 CZ TYR A 43 0.625 2.879 0.683 1.00 0.00 C ATOM 686 OH TYR A 43 -0.505 3.052 1.448 1.00 0.00 O ATOM 0 H TYR A 43 3.253 4.182 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 43 5.208 4.202 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.932 1.639 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.930 1.882 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.570 2.574 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.954 2.527 1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.446 2.887 -1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.938 2.834 2.370 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.598 3.998 1.685 1.00 0.00 H new ATOM 696 N THR A 44 6.974 3.361 -3.076 1.00 0.00 N ATOM 697 CA THR A 44 8.029 3.081 -4.043 1.00 0.00 C ATOM 698 C THR A 44 8.815 1.835 -3.653 1.00 0.00 C ATOM 699 O THR A 44 9.260 1.701 -2.513 1.00 0.00 O ATOM 700 CB THR A 44 9.001 4.268 -4.173 1.00 0.00 C ATOM 701 OG1 THR A 44 8.295 5.435 -4.609 1.00 0.00 O ATOM 702 CG2 THR A 44 10.118 3.948 -5.156 1.00 0.00 C ATOM 0 H THR A 44 7.309 3.584 -2.139 1.00 0.00 H new ATOM 0 HA THR A 44 7.542 2.914 -5.003 1.00 0.00 H new ATOM 0 HB THR A 44 9.442 4.456 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.920 6.185 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.792 4.801 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.672 3.077 -4.806 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.691 3.736 -6.136 1.00 0.00 H new ATOM 710 N VAL A 45 8.983 0.924 -4.606 1.00 0.00 N ATOM 711 CA VAL A 45 9.718 -0.311 -4.362 1.00 0.00 C ATOM 712 C VAL A 45 10.939 -0.413 -5.269 1.00 0.00 C ATOM 713 O VAL A 45 11.041 0.296 -6.270 1.00 0.00 O ATOM 714 CB VAL A 45 8.826 -1.548 -4.582 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.458 -1.338 -3.949 1.00 0.00 C ATOM 716 CG2 VAL A 45 8.694 -1.853 -6.066 1.00 0.00 C ATOM 0 H VAL A 45 8.620 1.018 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 45 10.042 -0.285 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 45 9.297 -2.405 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.841 -2.221 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.574 -1.172 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.977 -0.470 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.061 -2.730 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.246 -0.999 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.680 -2.049 -6.486 1.00 0.00 H new ATOM 726 N GLU A 46 11.863 -1.299 -4.912 1.00 0.00 N ATOM 727 CA GLU A 46 13.078 -1.492 -5.694 1.00 0.00 C ATOM 728 C GLU A 46 12.763 -2.141 -7.038 1.00 0.00 C ATOM 729 O GLU A 46 11.600 -2.257 -7.426 1.00 0.00 O ATOM 730 CB GLU A 46 14.077 -2.356 -4.920 1.00 0.00 C ATOM 731 CG GLU A 46 15.514 -1.874 -5.034 1.00 0.00 C ATOM 732 CD GLU A 46 16.517 -3.009 -4.961 1.00 0.00 C ATOM 733 OE1 GLU A 46 16.814 -3.468 -3.839 1.00 0.00 O ATOM 734 OE2 GLU A 46 17.005 -3.438 -6.028 1.00 0.00 O ATOM 0 H GLU A 46 11.793 -1.894 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 46 13.520 -0.513 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.791 -2.374 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.016 -3.382 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.641 -1.342 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.719 -1.161 -4.235 1.00 0.00 H new ATOM 741 N SER A 47 13.807 -2.562 -7.745 1.00 0.00 N ATOM 742 CA SER A 47 13.642 -3.195 -9.049 1.00 0.00 C ATOM 743 C SER A 47 13.265 -4.666 -8.894 1.00 0.00 C ATOM 744 O SER A 47 12.660 -5.260 -9.785 1.00 0.00 O ATOM 745 CB SER A 47 14.929 -3.070 -9.866 1.00 0.00 C ATOM 746 OG SER A 47 14.646 -2.740 -11.215 1.00 0.00 O ATOM 0 H SER A 47 14.776 -2.476 -7.437 1.00 0.00 H new ATOM 0 HA SER A 47 12.835 -2.684 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.569 -2.304 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.482 -4.009 -9.826 1.00 0.00 H new ATOM 0 HG SER A 47 15.482 -2.539 -11.685 1.00 0.00 H new ATOM 752 N GLY A 48 13.629 -5.247 -7.755 1.00 0.00 N ATOM 753 CA GLY A 48 13.322 -6.643 -7.504 1.00 0.00 C ATOM 754 C GLY A 48 12.359 -6.825 -6.347 1.00 0.00 C ATOM 755 O GLY A 48 12.778 -7.013 -5.204 1.00 0.00 O ATOM 0 H GLY A 48 14.131 -4.776 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.893 -7.085 -8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.245 -7.183 -7.293 1.00 0.00 H new ATOM 759 N THR A 49 11.064 -6.769 -6.642 1.00 0.00 N ATOM 760 CA THR A 49 10.039 -6.926 -5.619 1.00 0.00 C ATOM 761 C THR A 49 8.906 -7.820 -6.108 1.00 0.00 C ATOM 762 O THR A 49 8.558 -7.806 -7.288 1.00 0.00 O ATOM 763 CB THR A 49 9.457 -5.565 -5.192 1.00 0.00 C ATOM 764 OG1 THR A 49 10.439 -4.537 -5.363 1.00 0.00 O ATOM 765 CG2 THR A 49 9.001 -5.602 -3.742 1.00 0.00 C ATOM 0 H THR A 49 10.700 -6.616 -7.583 1.00 0.00 H new ATOM 0 HA THR A 49 10.520 -7.392 -4.759 1.00 0.00 H new ATOM 0 HB THR A 49 8.594 -5.350 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.336 -4.130 -6.249 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.594 -4.630 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.232 -6.365 -3.622 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.850 -5.837 -3.100 1.00 0.00 H new ATOM 773 N GLU A 50 8.333 -8.597 -5.194 1.00 0.00 N ATOM 774 CA GLU A 50 7.238 -9.498 -5.534 1.00 0.00 C ATOM 775 C GLU A 50 5.896 -8.906 -5.114 1.00 0.00 C ATOM 776 O GLU A 50 5.843 -7.917 -4.383 1.00 0.00 O ATOM 777 CB GLU A 50 7.440 -10.858 -4.865 1.00 0.00 C ATOM 778 CG GLU A 50 8.874 -11.358 -4.922 1.00 0.00 C ATOM 779 CD GLU A 50 9.546 -11.360 -3.562 1.00 0.00 C ATOM 780 OE1 GLU A 50 9.088 -12.109 -2.675 1.00 0.00 O ATOM 781 OE2 GLU A 50 10.531 -10.612 -3.387 1.00 0.00 O ATOM 0 H GLU A 50 8.609 -8.621 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 50 7.234 -9.631 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.129 -10.790 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.790 -11.590 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.887 -12.368 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.447 -10.731 -5.605 1.00 0.00 H new ATOM 788 N VAL A 51 4.813 -9.518 -5.582 1.00 0.00 N ATOM 789 CA VAL A 51 3.470 -9.054 -5.254 1.00 0.00 C ATOM 790 C VAL A 51 3.146 -9.302 -3.786 1.00 0.00 C ATOM 791 O VAL A 51 2.182 -8.753 -3.249 1.00 0.00 O ATOM 792 CB VAL A 51 2.408 -9.747 -6.128 1.00 0.00 C ATOM 793 CG1 VAL A 51 1.083 -9.004 -6.049 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.887 -9.849 -7.568 1.00 0.00 C ATOM 0 H VAL A 51 4.839 -10.337 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 51 3.448 -7.982 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 51 2.253 -10.757 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.345 -9.508 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.735 -8.989 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.218 -7.981 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.124 -10.341 -8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.072 -8.850 -7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.809 -10.429 -7.605 1.00 0.00 H new ATOM 804 N THR A 52 3.957 -10.132 -3.138 1.00 0.00 N ATOM 805 CA THR A 52 3.756 -10.454 -1.731 1.00 0.00 C ATOM 806 C THR A 52 4.545 -9.509 -0.832 1.00 0.00 C ATOM 807 O THR A 52 4.173 -9.274 0.316 1.00 0.00 O ATOM 808 CB THR A 52 4.172 -11.905 -1.421 1.00 0.00 C ATOM 809 OG1 THR A 52 4.095 -12.146 -0.012 1.00 0.00 O ATOM 810 CG2 THR A 52 5.586 -12.178 -1.911 1.00 0.00 C ATOM 0 H THR A 52 4.760 -10.594 -3.566 1.00 0.00 H new ATOM 0 HA THR A 52 2.691 -10.338 -1.530 1.00 0.00 H new ATOM 0 HB THR A 52 3.488 -12.575 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.359 -13.071 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.858 -13.208 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.634 -12.022 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.280 -11.500 -1.415 1.00 0.00 H new ATOM 818 N GLU A 53 5.637 -8.968 -1.364 1.00 0.00 N ATOM 819 CA GLU A 53 6.479 -8.047 -0.609 1.00 0.00 C ATOM 820 C GLU A 53 5.711 -6.779 -0.249 1.00 0.00 C ATOM 821 O GLU A 53 5.923 -6.191 0.811 1.00 0.00 O ATOM 822 CB GLU A 53 7.730 -7.688 -1.413 1.00 0.00 C ATOM 823 CG GLU A 53 8.979 -7.539 -0.561 1.00 0.00 C ATOM 824 CD GLU A 53 9.603 -6.162 -0.675 1.00 0.00 C ATOM 825 OE1 GLU A 53 8.845 -5.177 -0.802 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.847 -6.068 -0.637 1.00 0.00 O ATOM 0 H GLU A 53 5.959 -9.152 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 53 6.780 -8.543 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.903 -8.459 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.552 -6.755 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.728 -7.735 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.710 -8.291 -0.860 1.00 0.00 H new ATOM 833 N PHE A 54 4.817 -6.362 -1.141 1.00 0.00 N ATOM 834 CA PHE A 54 4.018 -5.163 -0.919 1.00 0.00 C ATOM 835 C PHE A 54 2.986 -5.392 0.181 1.00 0.00 C ATOM 836 O PHE A 54 2.496 -4.445 0.795 1.00 0.00 O ATOM 837 CB PHE A 54 3.317 -4.745 -2.213 1.00 0.00 C ATOM 838 CG PHE A 54 4.189 -4.854 -3.430 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.422 -4.223 -3.474 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.778 -5.589 -4.531 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.227 -4.321 -4.593 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.579 -5.691 -5.653 1.00 0.00 C ATOM 843 CZ PHE A 54 5.805 -5.057 -5.684 1.00 0.00 C ATOM 0 H PHE A 54 4.628 -6.837 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 54 4.688 -4.364 -0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.432 -5.365 -2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.973 -3.716 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.758 -3.648 -2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.820 -6.088 -4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.185 -3.823 -4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.246 -6.266 -6.504 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.433 -5.136 -6.559 1.00 0.00 H new ATOM 853 N ALA A 55 2.661 -6.658 0.424 1.00 0.00 N ATOM 854 CA ALA A 55 1.689 -7.013 1.451 1.00 0.00 C ATOM 855 C ALA A 55 2.265 -6.807 2.847 1.00 0.00 C ATOM 856 O ALA A 55 1.556 -6.933 3.846 1.00 0.00 O ATOM 857 CB ALA A 55 1.236 -8.454 1.272 1.00 0.00 C ATOM 0 H ALA A 55 3.056 -7.454 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 55 0.826 -6.356 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.510 -8.706 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.776 -8.572 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.096 -9.118 1.351 1.00 0.00 H new ATOM 863 N CYS A 56 3.554 -6.491 2.910 1.00 0.00 N ATOM 864 CA CYS A 56 4.226 -6.269 4.185 1.00 0.00 C ATOM 865 C CYS A 56 4.694 -4.823 4.309 1.00 0.00 C ATOM 866 O CYS A 56 5.374 -4.459 5.268 1.00 0.00 O ATOM 867 CB CYS A 56 5.417 -7.217 4.330 1.00 0.00 C ATOM 868 SG CYS A 56 5.061 -8.708 5.290 1.00 0.00 S ATOM 0 H CYS A 56 4.154 -6.383 2.093 1.00 0.00 H new ATOM 0 HA CYS A 56 3.512 -6.470 4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.758 -7.510 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.239 -6.681 4.804 1.00 0.00 H new ATOM 0 HG CYS A 56 6.128 -9.447 5.355 1.00 0.00 H new ATOM 874 N VAL A 57 4.326 -4.001 3.330 1.00 0.00 N ATOM 875 CA VAL A 57 4.709 -2.595 3.329 1.00 0.00 C ATOM 876 C VAL A 57 3.481 -1.691 3.328 1.00 0.00 C ATOM 877 O VAL A 57 3.590 -0.477 3.497 1.00 0.00 O ATOM 878 CB VAL A 57 5.585 -2.253 2.109 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.730 -2.112 0.859 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.382 -0.982 2.365 1.00 0.00 C ATOM 0 H VAL A 57 3.763 -4.286 2.528 1.00 0.00 H new ATOM 0 HA VAL A 57 5.283 -2.423 4.239 1.00 0.00 H new ATOM 0 HB VAL A 57 6.288 -3.070 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.367 -1.870 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.208 -3.050 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.001 -1.315 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.995 -0.755 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.697 -0.155 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.025 -1.124 3.234 1.00 0.00 H new ATOM 890 N VAL A 58 2.311 -2.292 3.136 1.00 0.00 N ATOM 891 CA VAL A 58 1.061 -1.542 3.115 1.00 0.00 C ATOM 892 C VAL A 58 0.154 -1.951 4.271 1.00 0.00 C ATOM 893 O VAL A 58 -0.917 -1.379 4.465 1.00 0.00 O ATOM 894 CB VAL A 58 0.306 -1.747 1.788 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.859 -0.775 1.681 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.252 -1.591 0.608 1.00 0.00 C ATOM 0 H VAL A 58 2.203 -3.296 2.993 1.00 0.00 H new ATOM 0 HA VAL A 58 1.323 -0.489 3.217 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.095 -2.760 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.380 -0.935 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.548 -0.941 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.484 0.248 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.702 -1.739 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.685 -0.591 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.049 -2.331 0.680 1.00 0.00 H new ATOM 906 N ALA A 59 0.593 -2.946 5.036 1.00 0.00 N ATOM 907 CA ALA A 59 -0.177 -3.430 6.175 1.00 0.00 C ATOM 908 C ALA A 59 0.453 -2.990 7.491 1.00 0.00 C ATOM 909 O ALA A 59 -0.210 -2.958 8.527 1.00 0.00 O ATOM 910 CB ALA A 59 -0.296 -4.946 6.125 1.00 0.00 C ATOM 0 H ALA A 59 1.477 -3.432 4.887 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.175 -2.996 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.873 -5.294 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.799 -5.241 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.699 -5.390 6.154 1.00 0.00 H new ATOM 916 N GLU A 60 1.738 -2.651 7.443 1.00 0.00 N ATOM 917 CA GLU A 60 2.458 -2.214 8.633 1.00 0.00 C ATOM 918 C GLU A 60 2.632 -0.698 8.638 1.00 0.00 C ATOM 919 O GLU A 60 2.500 -0.051 9.675 1.00 0.00 O ATOM 920 CB GLU A 60 3.825 -2.896 8.709 1.00 0.00 C ATOM 921 CG GLU A 60 4.732 -2.574 7.533 1.00 0.00 C ATOM 922 CD GLU A 60 5.635 -1.386 7.801 1.00 0.00 C ATOM 923 OE1 GLU A 60 6.229 -1.327 8.897 1.00 0.00 O ATOM 924 OE2 GLU A 60 5.748 -0.515 6.913 1.00 0.00 O ATOM 0 H GLU A 60 2.301 -2.671 6.593 1.00 0.00 H new ATOM 0 HA GLU A 60 1.870 -2.497 9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.321 -2.596 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.681 -3.975 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.344 -3.446 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.122 -2.370 6.653 1.00 0.00 H new ATOM 931 N ALA A 61 2.932 -0.140 7.469 1.00 0.00 N ATOM 932 CA ALA A 61 3.123 1.299 7.337 1.00 0.00 C ATOM 933 C ALA A 61 1.819 2.051 7.577 1.00 0.00 C ATOM 934 O ALA A 61 1.796 3.073 8.264 1.00 0.00 O ATOM 935 CB ALA A 61 3.682 1.633 5.962 1.00 0.00 C ATOM 0 H ALA A 61 3.048 -0.663 6.601 1.00 0.00 H new ATOM 0 HA ALA A 61 3.839 1.616 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.820 2.711 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.641 1.133 5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.986 1.295 5.194 1.00 0.00 H new ATOM 941 N VAL A 62 0.733 1.540 7.006 1.00 0.00 N ATOM 942 CA VAL A 62 -0.577 2.163 7.159 1.00 0.00 C ATOM 943 C VAL A 62 -0.926 2.355 8.630 1.00 0.00 C ATOM 944 O VAL A 62 -1.450 3.397 9.024 1.00 0.00 O ATOM 945 CB VAL A 62 -1.679 1.324 6.487 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.552 1.389 4.972 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.623 -0.117 6.973 1.00 0.00 C ATOM 0 H VAL A 62 0.734 0.696 6.433 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.523 3.136 6.671 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.647 1.740 6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.339 0.790 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.646 2.424 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.579 1.000 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.409 -0.695 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.652 -0.546 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.768 -0.143 8.053 1.00 0.00 H new ATOM 957 N VAL A 63 -0.631 1.343 9.440 1.00 0.00 N ATOM 958 CA VAL A 63 -0.912 1.401 10.870 1.00 0.00 C ATOM 959 C VAL A 63 -0.225 2.599 11.517 1.00 0.00 C ATOM 960 O VAL A 63 -0.843 3.351 12.271 1.00 0.00 O ATOM 961 CB VAL A 63 -0.457 0.115 11.584 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.589 0.265 13.092 1.00 0.00 C ATOM 963 CG2 VAL A 63 -1.256 -1.081 11.087 1.00 0.00 C ATOM 0 H VAL A 63 -0.198 0.473 9.130 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.992 1.504 10.976 1.00 0.00 H new ATOM 0 HB VAL A 63 0.594 -0.056 11.351 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.263 -0.654 13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.031 1.095 13.431 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.630 0.462 13.348 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.921 -1.981 11.602 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.315 -0.920 11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.105 -1.199 10.014 1.00 0.00 H new ATOM 973 N LYS A 64 1.058 2.771 11.217 1.00 0.00 N ATOM 974 CA LYS A 64 1.831 3.878 11.767 1.00 0.00 C ATOM 975 C LYS A 64 1.111 5.205 11.549 1.00 0.00 C ATOM 976 O LYS A 64 1.177 6.105 12.388 1.00 0.00 O ATOM 977 CB LYS A 64 3.219 3.927 11.124 1.00 0.00 C ATOM 978 CG LYS A 64 3.912 2.577 11.071 1.00 0.00 C ATOM 979 CD LYS A 64 5.362 2.712 10.636 1.00 0.00 C ATOM 980 CE LYS A 64 6.256 1.716 11.359 1.00 0.00 C ATOM 981 NZ LYS A 64 7.309 2.398 12.162 1.00 0.00 N ATOM 0 H LYS A 64 1.585 2.157 10.595 1.00 0.00 H new ATOM 0 HA LYS A 64 1.940 3.715 12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.127 4.319 10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.844 4.625 11.681 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.868 2.105 12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.383 1.922 10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.436 2.555 9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.710 3.726 10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.648 1.091 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.726 1.054 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.897 1.686 12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.905 2.975 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.861 3.010 12.874 1.00 0.00 H new ATOM 995 N THR A 65 0.422 5.321 10.418 1.00 0.00 N ATOM 996 CA THR A 65 -0.311 6.538 10.091 1.00 0.00 C ATOM 997 C THR A 65 -1.738 6.480 10.623 1.00 0.00 C ATOM 998 O THR A 65 -2.385 7.512 10.808 1.00 0.00 O ATOM 999 CB THR A 65 -0.351 6.777 8.570 1.00 0.00 C ATOM 1000 OG1 THR A 65 0.943 6.542 8.003 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.796 8.198 8.257 1.00 0.00 C ATOM 0 H THR A 65 0.356 4.587 9.713 1.00 0.00 H new ATOM 0 HA THR A 65 0.218 7.364 10.567 1.00 0.00 H new ATOM 0 HB THR A 65 -1.070 6.083 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.872 6.518 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.817 8.343 7.177 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.793 8.365 8.665 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.098 8.905 8.705 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.225 5.269 10.867 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.578 5.076 11.379 1.00 0.00 C ATOM 1011 C LEU A 66 -3.553 4.709 12.859 1.00 0.00 C ATOM 1012 O LEU A 66 -4.196 3.749 13.280 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.295 3.984 10.583 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.858 4.404 9.225 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -4.181 3.630 8.104 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.365 4.195 9.185 1.00 0.00 C ATOM 0 H LEU A 66 -1.703 4.405 10.719 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.120 6.015 11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.599 3.160 10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.114 3.598 11.190 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.654 5.465 9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.594 3.942 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.110 3.830 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.353 2.563 8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.749 4.499 8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.591 3.142 9.351 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.836 4.794 9.964 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.807 5.482 13.643 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.700 5.238 15.076 1.00 0.00 C ATOM 1030 C GLN A 67 -3.029 6.499 15.869 1.00 0.00 C ATOM 1031 O GLN A 67 -2.438 6.777 16.912 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.293 4.752 15.429 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.066 3.279 15.132 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.014 2.431 16.388 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.966 2.399 17.168 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.101 1.739 16.589 1.00 0.00 N ATOM 0 H GLN A 67 -2.269 6.282 13.310 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.421 4.465 15.342 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.564 5.343 14.874 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.110 4.933 16.488 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.865 2.915 14.486 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.133 3.163 14.581 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.865 1.796 15.915 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.194 1.150 17.417 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.994 7.281 15.363 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.423 8.525 16.009 1.00 0.00 C ATOM 1047 C PRO A 68 -5.174 8.274 17.312 1.00 0.00 C ATOM 1048 O PRO A 68 -4.865 8.871 18.343 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.352 9.161 14.971 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.859 8.015 14.164 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.741 7.011 14.124 1.00 0.00 C ATOM 0 HA PRO A 68 -3.576 9.153 16.286 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.169 9.701 15.449 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.818 9.878 14.348 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.753 7.585 14.615 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.132 8.336 13.159 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.120 5.989 14.098 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.115 7.142 13.241 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.161 7.385 17.259 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.955 7.053 18.436 1.00 0.00 C ATOM 1061 C VAL A 69 -7.599 5.679 18.294 1.00 0.00 C ATOM 1062 O VAL A 69 -8.824 5.554 18.284 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.056 8.101 18.684 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.492 9.303 19.425 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.693 8.526 17.369 1.00 0.00 C ATOM 0 H VAL A 69 -6.430 6.882 16.413 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.273 7.045 19.286 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.829 7.650 19.307 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.285 10.033 19.591 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.087 8.982 20.385 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.699 9.757 18.831 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.469 9.267 17.563 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.932 8.959 16.719 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.135 7.657 16.881 1.00 0.00 H new ATOM 1075 N SER A 70 -6.766 4.649 18.186 1.00 0.00 N ATOM 1076 CA SER A 70 -7.255 3.282 18.042 1.00 0.00 C ATOM 1077 C SER A 70 -7.979 2.828 19.305 1.00 0.00 C ATOM 1078 O SER A 70 -8.679 1.815 19.302 1.00 0.00 O ATOM 1079 CB SER A 70 -6.094 2.333 17.736 1.00 0.00 C ATOM 1080 OG SER A 70 -4.891 2.792 18.328 1.00 0.00 O ATOM 0 H SER A 70 -5.750 4.735 18.195 1.00 0.00 H new ATOM 0 HA SER A 70 -7.962 3.260 17.212 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.328 1.335 18.107 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.963 2.249 16.657 1.00 0.00 H new ATOM 0 HG SER A 70 -4.131 2.536 17.765 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.806 3.585 20.383 1.00 0.00 N ATOM 1087 CA ASP A 71 -8.444 3.262 21.654 1.00 0.00 C ATOM 1088 C ASP A 71 -9.963 3.301 21.525 1.00 0.00 C ATOM 1089 O ASP A 71 -10.682 2.765 22.370 1.00 0.00 O ATOM 1090 CB ASP A 71 -7.987 4.237 22.740 1.00 0.00 C ATOM 1091 CG ASP A 71 -8.528 5.637 22.527 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -7.897 6.409 21.774 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -9.582 5.961 23.112 1.00 0.00 O ATOM 0 H ASP A 71 -7.230 4.426 20.402 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.147 2.252 21.935 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.311 3.870 23.714 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.898 4.271 22.759 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.446 3.939 20.464 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.880 4.048 20.225 1.00 0.00 C ATOM 1100 C LEU A 72 -12.356 2.968 19.259 1.00 0.00 C ATOM 1101 O LEU A 72 -13.457 2.436 19.399 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.220 5.432 19.668 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.866 5.670 18.199 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -13.025 5.269 17.299 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.489 7.126 17.970 1.00 0.00 C ATOM 0 H LEU A 72 -9.865 4.388 19.756 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.393 3.909 21.177 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.289 5.600 19.795 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.706 6.181 20.271 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.006 5.049 17.947 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.755 5.445 16.258 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.248 4.212 17.442 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.904 5.862 17.551 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.240 7.277 16.919 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.329 7.766 18.239 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.627 7.380 18.587 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.517 2.647 18.280 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.850 1.628 17.291 1.00 0.00 C ATOM 1119 C LEU A 73 -12.090 0.278 17.959 1.00 0.00 C ATOM 1120 O LEU A 73 -12.914 -0.516 17.504 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.728 1.505 16.258 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.197 2.820 15.685 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.066 2.556 14.703 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.317 3.600 15.013 1.00 0.00 C ATOM 0 H LEU A 73 -10.602 3.078 18.150 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.768 1.933 16.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.897 0.969 16.716 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.087 0.891 15.432 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.805 3.420 16.506 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.701 3.503 14.306 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.254 2.039 15.214 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.432 1.936 13.885 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.921 4.533 14.611 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.739 3.006 14.202 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.095 3.821 15.743 1.00 0.00 H new ATOM 1136 N THR A 74 -11.366 0.024 19.045 1.00 0.00 N ATOM 1137 CA THR A 74 -11.501 -1.229 19.778 1.00 0.00 C ATOM 1138 C THR A 74 -12.828 -1.288 20.527 1.00 0.00 C ATOM 1139 O THR A 74 -13.282 -2.361 20.920 1.00 0.00 O ATOM 1140 CB THR A 74 -10.349 -1.419 20.783 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.244 -0.582 20.424 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.900 -2.871 20.822 1.00 0.00 C ATOM 0 H THR A 74 -10.680 0.670 19.436 1.00 0.00 H new ATOM 0 HA THR A 74 -11.467 -2.031 19.041 1.00 0.00 H new ATOM 0 HB THR A 74 -10.709 -1.140 21.773 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.516 -0.707 21.068 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.086 -2.981 21.538 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.736 -3.502 21.123 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.556 -3.172 19.833 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.445 -0.126 20.720 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.721 -0.047 21.422 1.00 0.00 C ATOM 1152 C ASN A 75 -15.866 -0.505 20.523 1.00 0.00 C ATOM 1153 O ASN A 75 -16.916 -0.929 21.006 1.00 0.00 O ATOM 1154 CB ASN A 75 -14.975 1.384 21.900 1.00 0.00 C ATOM 1155 CG ASN A 75 -13.895 1.879 22.843 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -13.142 1.088 23.411 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -13.814 3.193 23.013 1.00 0.00 N ATOM 0 H ASN A 75 -13.082 0.772 20.401 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.674 -0.710 22.286 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.032 2.048 21.037 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -15.941 1.430 22.402 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.106 3.584 23.635 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.459 3.812 22.522 1.00 0.00 H new ATOM 1164 N MET A 76 -15.655 -0.417 19.214 1.00 0.00 N ATOM 1165 CA MET A 76 -16.668 -0.824 18.248 1.00 0.00 C ATOM 1166 C MET A 76 -16.359 -2.208 17.686 1.00 0.00 C ATOM 1167 O MET A 76 -17.258 -2.928 17.253 1.00 0.00 O ATOM 1168 CB MET A 76 -16.756 0.194 17.108 1.00 0.00 C ATOM 1169 CG MET A 76 -15.407 0.539 16.498 1.00 0.00 C ATOM 1170 SD MET A 76 -15.557 1.546 15.010 1.00 0.00 S ATOM 1171 CE MET A 76 -15.013 3.139 15.623 1.00 0.00 C ATOM 0 H MET A 76 -14.792 -0.068 18.798 1.00 0.00 H new ATOM 0 HA MET A 76 -17.628 -0.866 18.763 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.408 -0.200 16.329 1.00 0.00 H new ATOM 0 HB3 MET A 76 -17.221 1.106 17.481 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.805 1.072 17.234 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.875 -0.381 16.257 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.787 3.884 15.438 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.823 3.071 16.694 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.097 3.433 15.110 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.081 -2.574 17.696 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.677 -3.871 17.185 1.00 0.00 C ATOM 1183 C GLY A 77 -13.457 -3.786 16.288 1.00 0.00 C ATOM 1184 O GLY A 77 -12.631 -4.698 16.265 1.00 0.00 O ATOM 0 H GLY A 77 -14.318 -1.996 18.049 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.464 -4.537 18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.504 -4.312 16.628 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.345 -2.689 15.547 1.00 0.00 N ATOM 1189 CA ILE A 78 -12.218 -2.489 14.644 1.00 0.00 C ATOM 1190 C ILE A 78 -10.895 -2.526 15.401 1.00 0.00 C ATOM 1191 O ILE A 78 -10.556 -1.590 16.125 1.00 0.00 O ATOM 1192 CB ILE A 78 -12.329 -1.150 13.892 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.548 -1.159 12.967 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -11.058 -0.879 13.101 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.779 0.157 12.258 1.00 0.00 C ATOM 0 H ILE A 78 -14.021 -1.925 15.554 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.244 -3.305 13.921 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.456 -0.350 14.621 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.424 -1.946 12.223 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.434 -1.409 13.550 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.152 0.071 12.575 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.208 -0.834 13.782 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.902 -1.680 12.378 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.659 0.077 11.620 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.936 0.945 12.995 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.909 0.399 11.647 1.00 0.00 H new ATOM 1207 N ASP A 79 -10.150 -3.612 15.226 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.861 -3.770 15.890 1.00 0.00 C ATOM 1209 C ASP A 79 -7.741 -3.154 15.057 1.00 0.00 C ATOM 1210 O ASP A 79 -7.627 -3.417 13.859 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.571 -5.251 16.141 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.271 -5.543 17.598 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.714 -4.657 18.278 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.594 -6.659 18.058 1.00 0.00 O ATOM 0 H ASP A 79 -10.416 -4.396 14.630 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.907 -3.249 16.846 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.428 -5.845 15.823 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.724 -5.561 15.529 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.918 -2.332 15.698 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.807 -1.677 15.016 1.00 0.00 C ATOM 1221 C LEU A 80 -4.539 -2.521 15.106 1.00 0.00 C ATOM 1222 O LEU A 80 -3.702 -2.499 14.203 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.556 -0.294 15.620 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.677 0.648 14.798 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.215 0.243 14.903 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.126 0.662 13.344 1.00 0.00 C ATOM 0 H LEU A 80 -6.999 -2.103 16.689 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.073 -1.565 13.965 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.519 0.190 15.782 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.096 -0.425 16.599 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.782 1.656 15.200 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.605 0.925 14.311 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.900 0.286 15.945 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.091 -0.773 14.528 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.489 1.338 12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.051 -0.344 12.930 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.160 1.002 13.286 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.406 -3.264 16.198 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.242 -4.118 16.404 1.00 0.00 C ATOM 1240 C ASP A 81 -3.306 -5.350 15.507 1.00 0.00 C ATOM 1241 O ASP A 81 -2.314 -6.058 15.338 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.149 -4.545 17.870 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.883 -4.045 18.539 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -0.856 -4.751 18.466 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.920 -2.949 19.136 1.00 0.00 O ATOM 0 H ASP A 81 -5.089 -3.293 16.955 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.352 -3.546 16.143 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.016 -4.167 18.411 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.184 -5.633 17.932 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.480 -5.599 14.935 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.673 -6.747 14.057 1.00 0.00 C ATOM 1252 C GLU A 82 -4.294 -6.402 12.619 1.00 0.00 C ATOM 1253 O GLU A 82 -3.855 -7.264 11.858 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.127 -7.221 14.112 1.00 0.00 C ATOM 1255 CG GLU A 82 -7.040 -6.501 13.134 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.509 -6.726 13.434 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.818 -7.631 14.238 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.349 -5.999 12.864 1.00 0.00 O ATOM 0 H GLU A 82 -5.311 -5.022 15.064 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.023 -7.550 14.404 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.159 -8.291 13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.508 -7.080 15.123 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.827 -5.432 13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.823 -6.842 12.122 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.467 -5.136 12.256 1.00 0.00 N ATOM 1266 CA TRP A 83 -4.144 -4.677 10.910 1.00 0.00 C ATOM 1267 C TRP A 83 -2.743 -5.120 10.505 1.00 0.00 C ATOM 1268 O TRP A 83 -2.551 -5.706 9.439 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.253 -3.153 10.829 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.667 -2.663 10.736 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.795 -3.340 11.101 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -6.102 -1.390 10.245 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.905 -2.566 10.866 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.507 -1.365 10.342 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.441 -0.269 9.735 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -8.260 -0.263 9.946 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -6.190 0.823 9.342 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.587 0.821 9.450 1.00 0.00 C ATOM 0 H TRP A 83 -4.829 -4.410 12.874 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.860 -5.123 10.220 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.781 -2.715 11.708 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.696 -2.802 9.960 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.812 -4.338 11.514 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.869 -2.841 11.052 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.364 -0.257 9.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.337 -0.263 10.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.690 1.694 8.944 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -8.144 1.692 9.136 1.00 0.00 H new ATOM 1289 N SER A 84 -1.767 -4.838 11.362 1.00 0.00 N ATOM 1290 CA SER A 84 -0.382 -5.205 11.091 1.00 0.00 C ATOM 1291 C SER A 84 -0.246 -6.714 10.908 1.00 0.00 C ATOM 1292 O SER A 84 0.435 -7.182 9.995 1.00 0.00 O ATOM 1293 CB SER A 84 0.525 -4.734 12.229 1.00 0.00 C ATOM 1294 OG SER A 84 1.543 -3.874 11.747 1.00 0.00 O ATOM 0 H SER A 84 -1.910 -4.357 12.250 1.00 0.00 H new ATOM 0 HA SER A 84 -0.076 -4.715 10.166 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.069 -4.214 12.980 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.976 -5.597 12.720 1.00 0.00 H new ATOM 0 HG SER A 84 2.108 -3.585 12.494 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.899 -7.471 11.784 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.853 -8.927 11.720 1.00 0.00 C ATOM 1302 C VAL A 85 -2.074 -9.484 10.996 1.00 0.00 C ATOM 1303 O VAL A 85 -2.584 -10.548 11.347 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.777 -9.548 13.128 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -2.132 -9.482 13.815 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -0.279 -10.983 13.050 1.00 0.00 C ATOM 0 H VAL A 85 -1.466 -7.100 12.546 1.00 0.00 H new ATOM 0 HA VAL A 85 0.047 -9.192 11.165 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.067 -8.973 13.722 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.058 -9.925 14.808 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.444 -8.442 13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.866 -10.032 13.226 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.231 -11.407 14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.963 -11.573 12.439 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.714 -11.000 12.602 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.537 -8.758 9.984 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.696 -9.181 9.209 1.00 0.00 C ATOM 1318 C ALA A 86 -3.285 -9.651 7.818 1.00 0.00 C ATOM 1319 O ALA A 86 -2.098 -9.701 7.493 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.706 -8.047 9.108 1.00 0.00 C ATOM 0 H ALA A 86 -2.127 -7.874 9.682 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.160 -10.021 9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.567 -8.377 8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.032 -7.760 10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.244 -7.190 8.617 1.00 0.00 H new ATOM 1326 N THR A 87 -4.273 -9.996 6.998 1.00 0.00 N ATOM 1327 CA THR A 87 -4.013 -10.464 5.642 1.00 0.00 C ATOM 1328 C THR A 87 -4.502 -9.455 4.609 1.00 0.00 C ATOM 1329 O THR A 87 -5.642 -9.523 4.151 1.00 0.00 O ATOM 1330 CB THR A 87 -4.690 -11.822 5.377 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.338 -12.754 6.405 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.280 -12.376 4.021 1.00 0.00 C ATOM 0 H THR A 87 -5.261 -9.960 7.249 1.00 0.00 H new ATOM 0 HA THR A 87 -2.933 -10.580 5.549 1.00 0.00 H new ATOM 0 HB THR A 87 -5.769 -11.671 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.774 -13.614 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.771 -13.335 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.576 -11.678 3.238 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.199 -12.512 3.995 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.631 -8.519 4.246 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.974 -7.495 3.266 1.00 0.00 C ATOM 1342 C PHE A 88 -3.755 -8.006 1.845 1.00 0.00 C ATOM 1343 O PHE A 88 -2.643 -8.384 1.475 1.00 0.00 O ATOM 1344 CB PHE A 88 -3.140 -6.234 3.501 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.757 -5.282 4.486 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -4.293 -5.747 5.676 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.802 -3.923 4.221 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.861 -4.874 6.585 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.368 -3.045 5.126 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.899 -3.521 6.309 1.00 0.00 C ATOM 0 H PHE A 88 -2.683 -8.449 4.616 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.030 -7.252 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.151 -6.523 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.998 -5.720 2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.267 -6.804 5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.390 -3.545 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.274 -5.249 7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.395 -1.987 4.908 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.343 -2.837 7.017 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.822 -8.014 1.054 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.748 -8.481 -0.325 1.00 0.00 C ATOM 1362 C TYR A 89 -4.647 -7.306 -1.293 1.00 0.00 C ATOM 1363 O TYR A 89 -4.961 -6.168 -0.942 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.973 -9.332 -0.664 1.00 0.00 C ATOM 1365 CG TYR A 89 -6.037 -10.633 0.103 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -5.386 -11.770 -0.363 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.749 -10.728 1.292 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.443 -12.961 0.334 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.810 -11.915 1.997 1.00 0.00 C ATOM 1370 CZ TYR A 89 -6.155 -13.028 1.513 1.00 0.00 C ATOM 1371 OH TYR A 89 -6.214 -14.213 2.211 1.00 0.00 O ATOM 0 H TYR A 89 -5.749 -7.702 1.344 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.851 -9.091 -0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.874 -8.754 -0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.970 -9.549 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.826 -11.721 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.264 -9.858 1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.933 -13.835 -0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.367 -11.971 2.921 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.754 -14.090 3.019 1.00 0.00 H new ATOM 1381 N LEU A 90 -4.207 -7.591 -2.514 1.00 0.00 N ATOM 1382 CA LEU A 90 -4.064 -6.559 -3.535 1.00 0.00 C ATOM 1383 C LEU A 90 -4.589 -7.049 -4.881 1.00 0.00 C ATOM 1384 O LEU A 90 -4.497 -8.235 -5.201 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.598 -6.144 -3.668 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.845 -5.912 -2.357 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.781 -6.981 -2.157 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -1.221 -4.525 -2.339 1.00 0.00 C ATOM 0 H LEU A 90 -3.943 -8.527 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.653 -5.695 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.073 -6.914 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.552 -5.228 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.557 -5.978 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.255 -6.800 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.253 -7.963 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.071 -6.947 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.689 -4.377 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.522 -4.430 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.004 -3.773 -2.435 1.00 0.00 H new ATOM 1400 N PHE A 91 -5.139 -6.129 -5.667 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.677 -6.467 -6.979 1.00 0.00 C ATOM 1402 C PHE A 91 -5.396 -5.355 -7.985 1.00 0.00 C ATOM 1403 O PHE A 91 -4.769 -4.348 -7.655 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.184 -6.718 -6.886 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.553 -8.173 -6.933 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.734 -8.816 -8.147 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.720 -8.897 -5.764 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -8.075 -10.155 -8.193 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.060 -10.236 -5.804 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.237 -10.866 -7.020 1.00 0.00 C ATOM 0 H PHE A 91 -5.224 -5.144 -5.418 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.185 -7.377 -7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.560 -6.286 -5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.682 -6.198 -7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.607 -8.265 -9.067 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.583 -8.409 -4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.215 -10.645 -9.145 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.187 -10.789 -4.885 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.502 -11.913 -7.054 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.865 -5.544 -9.214 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.665 -4.558 -10.269 1.00 0.00 C ATOM 1422 C ASP A 92 -6.997 -4.152 -10.892 1.00 0.00 C ATOM 1423 O ASP A 92 -8.054 -4.650 -10.503 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.733 -5.114 -11.346 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.271 -5.005 -10.959 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.914 -5.469 -9.856 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -2.484 -4.455 -11.759 1.00 0.00 O ATOM 0 H ASP A 92 -6.386 -6.371 -9.504 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.207 -3.674 -9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.980 -6.159 -11.532 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.900 -4.577 -12.280 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.939 -3.244 -11.860 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.141 -2.770 -12.537 1.00 0.00 C ATOM 1434 C ASP A 93 -8.707 -3.847 -13.457 1.00 0.00 C ATOM 1435 O ASP A 93 -9.864 -3.779 -13.870 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.834 -1.505 -13.341 1.00 0.00 C ATOM 1437 CG ASP A 93 -9.014 -1.050 -14.177 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -10.157 -1.126 -13.681 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -8.794 -0.619 -15.329 1.00 0.00 O ATOM 0 H ASP A 93 -6.073 -2.821 -12.194 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.888 -2.537 -11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.546 -0.705 -12.659 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.980 -1.691 -13.993 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.882 -4.840 -13.774 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.300 -5.932 -14.644 1.00 0.00 C ATOM 1446 C ALA A 94 -8.665 -7.171 -13.834 1.00 0.00 C ATOM 1447 O ALA A 94 -9.071 -8.191 -14.389 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.203 -6.259 -15.646 1.00 0.00 C ATOM 0 H ALA A 94 -6.920 -4.910 -13.441 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.189 -5.610 -15.187 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.529 -7.076 -16.289 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.993 -5.380 -16.255 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.300 -6.555 -15.113 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.518 -7.075 -12.516 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.835 -8.196 -11.650 1.00 0.00 C ATOM 1456 C GLY A 95 -7.676 -9.161 -11.502 1.00 0.00 C ATOM 1457 O GLY A 95 -7.876 -10.370 -11.402 1.00 0.00 O ATOM 0 H GLY A 95 -8.185 -6.241 -12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.120 -7.822 -10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.698 -8.728 -12.051 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.459 -8.624 -11.490 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.263 -9.448 -11.355 1.00 0.00 C ATOM 1463 C GLU A 96 -4.378 -8.940 -10.221 1.00 0.00 C ATOM 1464 O GLU A 96 -4.298 -7.737 -9.973 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.475 -9.459 -12.667 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.138 -8.072 -13.186 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.738 -8.078 -14.649 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.900 -9.128 -15.304 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.264 -7.031 -15.138 1.00 0.00 O ATOM 0 H GLU A 96 -6.276 -7.624 -11.572 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.577 -10.465 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.550 -10.018 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.053 -9.990 -13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.000 -7.418 -13.051 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.325 -7.654 -12.593 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.714 -9.866 -9.536 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.836 -9.512 -8.427 1.00 0.00 C ATOM 1478 C GLU A 97 -1.483 -9.025 -8.939 1.00 0.00 C ATOM 1479 O GLU A 97 -0.487 -9.745 -8.873 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.640 -10.713 -7.499 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.307 -10.328 -6.068 1.00 0.00 C ATOM 1482 CD GLU A 97 -3.033 -11.185 -5.049 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -3.201 -12.395 -5.303 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -3.433 -10.644 -3.996 1.00 0.00 O ATOM 0 H GLU A 97 -3.767 -10.866 -9.729 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.307 -8.703 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.548 -11.316 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.840 -11.339 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.232 -10.418 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.566 -9.281 -5.908 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.457 -7.799 -9.449 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.227 -7.215 -9.974 1.00 0.00 C ATOM 1493 C ASN A 98 0.096 -5.902 -9.268 1.00 0.00 C ATOM 1494 O ASN A 98 -0.685 -5.416 -8.449 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.352 -6.980 -11.480 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.322 -8.272 -12.272 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.082 -8.318 -13.360 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.378 -9.219 -11.910 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.273 -7.190 -9.510 1.00 0.00 H new ATOM 0 HA ASN A 98 0.587 -7.916 -9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.283 -6.452 -11.686 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.461 -6.334 -11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.947 -9.140 -11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.389 -10.082 -12.453 1.00 0.00 H new ATOM 1505 N PHE A 99 1.252 -5.332 -9.590 1.00 0.00 N ATOM 1506 CA PHE A 99 1.680 -4.075 -8.987 1.00 0.00 C ATOM 1507 C PHE A 99 1.864 -2.997 -10.050 1.00 0.00 C ATOM 1508 O PHE A 99 2.939 -2.409 -10.174 1.00 0.00 O ATOM 1509 CB PHE A 99 2.986 -4.274 -8.214 1.00 0.00 C ATOM 1510 CG PHE A 99 4.042 -4.998 -8.999 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.032 -6.381 -9.089 1.00 0.00 C ATOM 1512 CD2 PHE A 99 5.045 -4.296 -9.648 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.004 -7.049 -9.810 1.00 0.00 C ATOM 1514 CE2 PHE A 99 6.019 -4.958 -10.371 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.998 -6.337 -10.453 1.00 0.00 C ATOM 0 H PHE A 99 1.910 -5.721 -10.266 1.00 0.00 H new ATOM 0 HA PHE A 99 0.903 -3.749 -8.296 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.372 -3.300 -7.912 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.777 -4.831 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.256 -6.943 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.066 -3.218 -9.588 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.986 -8.127 -9.871 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.795 -4.398 -10.871 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.757 -6.857 -11.019 1.00 0.00 H new ATOM 1525 N SER A 100 0.808 -2.742 -10.815 1.00 0.00 N ATOM 1526 CA SER A 100 0.853 -1.737 -11.871 1.00 0.00 C ATOM 1527 C SER A 100 0.687 -0.335 -11.294 1.00 0.00 C ATOM 1528 O SER A 100 0.748 -0.140 -10.080 1.00 0.00 O ATOM 1529 CB SER A 100 -0.240 -2.007 -12.908 1.00 0.00 C ATOM 1530 OG SER A 100 -0.008 -1.271 -14.096 1.00 0.00 O ATOM 0 H SER A 100 -0.090 -3.217 -10.724 1.00 0.00 H new ATOM 0 HA SER A 100 1.827 -1.798 -12.356 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.273 -3.072 -13.137 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.212 -1.739 -12.494 1.00 0.00 H new ATOM 0 HG SER A 100 -0.719 -1.462 -14.743 1.00 0.00 H new ATOM 1536 N SER A 101 0.477 0.639 -12.174 1.00 0.00 N ATOM 1537 CA SER A 101 0.307 2.025 -11.753 1.00 0.00 C ATOM 1538 C SER A 101 -0.737 2.132 -10.645 1.00 0.00 C ATOM 1539 O SER A 101 -0.646 2.997 -9.774 1.00 0.00 O ATOM 1540 CB SER A 101 -0.106 2.894 -12.943 1.00 0.00 C ATOM 1541 OG SER A 101 0.951 3.750 -13.340 1.00 0.00 O ATOM 0 H SER A 101 0.421 0.494 -13.182 1.00 0.00 H new ATOM 0 HA SER A 101 1.261 2.381 -11.365 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.396 2.257 -13.779 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.980 3.489 -12.677 1.00 0.00 H new ATOM 0 HG SER A 101 0.663 4.294 -14.103 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.727 1.247 -10.687 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.789 1.242 -9.687 1.00 0.00 C ATOM 1549 C ARG A 102 -2.899 -0.125 -9.019 1.00 0.00 C ATOM 1550 O ARG A 102 -2.794 -1.159 -9.677 1.00 0.00 O ATOM 1551 CB ARG A 102 -4.126 1.616 -10.331 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.304 1.540 -9.374 1.00 0.00 C ATOM 1553 CD ARG A 102 -6.453 2.425 -9.834 1.00 0.00 C ATOM 1554 NE ARG A 102 -7.363 1.718 -10.731 1.00 0.00 N ATOM 1555 CZ ARG A 102 -8.202 2.331 -11.559 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -8.246 3.655 -11.603 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -9.000 1.618 -12.344 1.00 0.00 N ATOM 0 H ARG A 102 -1.816 0.525 -11.402 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.541 1.981 -8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.057 2.628 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.311 0.952 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.646 0.508 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.985 1.845 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.006 2.783 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.054 3.303 -10.341 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.354 0.698 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.635 4.206 -11.000 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.891 4.123 -12.240 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.969 0.599 -12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.644 2.089 -12.979 1.00 0.00 H new ATOM 1571 N MET A 103 -3.112 -0.121 -7.707 1.00 0.00 N ATOM 1572 CA MET A 103 -3.237 -1.361 -6.949 1.00 0.00 C ATOM 1573 C MET A 103 -4.331 -1.244 -5.892 1.00 0.00 C ATOM 1574 O MET A 103 -4.191 -0.501 -4.920 1.00 0.00 O ATOM 1575 CB MET A 103 -1.905 -1.714 -6.284 1.00 0.00 C ATOM 1576 CG MET A 103 -1.954 -2.995 -5.468 1.00 0.00 C ATOM 1577 SD MET A 103 -0.486 -4.018 -5.691 1.00 0.00 S ATOM 1578 CE MET A 103 0.752 -3.014 -4.874 1.00 0.00 C ATOM 0 H MET A 103 -3.202 0.727 -7.147 1.00 0.00 H new ATOM 0 HA MET A 103 -3.510 -2.156 -7.643 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.139 -1.812 -7.053 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.603 -0.891 -5.636 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.061 -2.745 -4.412 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.837 -3.568 -5.751 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.615 -2.896 -5.529 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.333 -2.034 -4.646 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.062 -3.500 -3.949 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.418 -1.981 -6.089 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.537 -1.958 -5.154 1.00 0.00 C ATOM 1590 C TYR A 104 -6.249 -2.833 -3.938 1.00 0.00 C ATOM 1591 O TYR A 104 -5.969 -4.026 -4.070 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.816 -2.431 -5.846 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.394 -1.419 -6.809 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.713 -0.134 -6.389 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.619 -1.747 -8.140 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.242 0.794 -7.265 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.146 -0.826 -9.024 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.456 0.443 -8.582 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.981 1.365 -9.459 1.00 0.00 O ATOM 0 H TYR A 104 -5.548 -2.602 -6.888 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.674 -0.931 -4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.607 -3.355 -6.385 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.563 -2.667 -5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.544 0.145 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.378 -2.740 -8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.487 1.788 -6.921 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.314 -1.098 -10.056 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.712 2.267 -9.186 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.320 -2.233 -2.755 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.068 -2.957 -1.514 1.00 0.00 C ATOM 1611 C CYS A 105 -7.358 -3.552 -0.960 1.00 0.00 C ATOM 1612 O CYS A 105 -8.166 -2.851 -0.351 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.434 -2.028 -0.478 1.00 0.00 C ATOM 1614 SG CYS A 105 -5.208 -2.782 1.149 1.00 0.00 S ATOM 0 H CYS A 105 -6.550 -1.247 -2.629 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.378 -3.772 -1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.465 -1.694 -0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -6.058 -1.140 -0.372 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.664 -1.919 1.955 1.00 0.00 H new ATOM 1620 N SER A 106 -7.545 -4.850 -1.176 1.00 0.00 N ATOM 1621 CA SER A 106 -8.740 -5.539 -0.702 1.00 0.00 C ATOM 1622 C SER A 106 -8.435 -6.359 0.548 1.00 0.00 C ATOM 1623 O SER A 106 -7.318 -6.844 0.729 1.00 0.00 O ATOM 1624 CB SER A 106 -9.297 -6.449 -1.799 1.00 0.00 C ATOM 1625 OG SER A 106 -8.319 -6.713 -2.790 1.00 0.00 O ATOM 0 H SER A 106 -6.885 -5.446 -1.676 1.00 0.00 H new ATOM 0 HA SER A 106 -9.487 -4.787 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.636 -7.387 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.167 -5.979 -2.258 1.00 0.00 H new ATOM 0 HG SER A 106 -8.700 -7.298 -3.478 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.436 -6.509 1.408 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.277 -7.269 2.642 1.00 0.00 C ATOM 1633 C PHE A 107 -9.759 -8.705 2.464 1.00 0.00 C ATOM 1634 O PHE A 107 -10.029 -9.407 3.439 1.00 0.00 O ATOM 1635 CB PHE A 107 -10.047 -6.598 3.782 1.00 0.00 C ATOM 1636 CG PHE A 107 -11.538 -6.729 3.656 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -12.259 -5.851 2.863 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -12.218 -7.730 4.331 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -13.631 -5.969 2.746 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -13.590 -7.852 4.218 1.00 0.00 C ATOM 1641 CZ PHE A 107 -14.297 -6.971 3.423 1.00 0.00 C ATOM 0 H PHE A 107 -10.367 -6.114 1.273 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.216 -7.290 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.731 -7.034 4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.784 -5.541 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.743 -5.066 2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.670 -8.423 4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -14.182 -5.278 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -14.109 -8.635 4.751 1.00 0.00 H new ATOM 0 HZ PHE A 107 -15.369 -7.066 3.331 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.866 -9.135 1.211 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.318 -10.487 0.903 1.00 0.00 C ATOM 1653 C TYR A 108 -9.448 -11.120 -0.177 1.00 0.00 C ATOM 1654 O TYR A 108 -8.825 -10.436 -0.990 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.779 -10.467 0.450 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.995 -9.757 -0.868 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.014 -8.370 -0.937 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.177 -10.475 -2.044 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.212 -7.717 -2.139 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.374 -9.831 -3.250 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.391 -8.452 -3.293 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.586 -7.806 -4.492 1.00 0.00 O ATOM 0 H TYR A 108 -9.646 -8.567 0.393 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.233 -11.087 1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.138 -11.493 0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.382 -9.982 1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.872 -7.792 -0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.164 -11.555 -2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.227 -6.638 -2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.514 -10.404 -4.155 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.694 -8.468 -5.206 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.402 -12.460 -0.189 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.612 -13.217 -1.164 1.00 0.00 C ATOM 1674 C PRO A 109 -9.190 -13.128 -2.573 1.00 0.00 C ATOM 1675 O PRO A 109 -10.315 -12.675 -2.780 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.690 -14.655 -0.645 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.954 -14.706 0.142 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.118 -13.340 0.750 1.00 0.00 C ATOM 0 HA PRO A 109 -7.595 -12.834 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.706 -15.372 -1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.828 -14.899 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.802 -14.953 -0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.902 -15.473 0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.169 -13.063 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.690 -13.292 1.751 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.403 -13.570 -3.565 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.817 -13.551 -4.971 1.00 0.00 C ATOM 1688 C PRO A 110 -9.921 -14.561 -5.264 1.00 0.00 C ATOM 1689 O PRO A 110 -10.929 -14.229 -5.889 1.00 0.00 O ATOM 1690 CB PRO A 110 -7.537 -13.925 -5.723 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.736 -14.708 -4.740 1.00 0.00 C ATOM 1692 CD PRO A 110 -7.050 -14.124 -3.391 1.00 0.00 C ATOM 0 HA PRO A 110 -9.231 -12.585 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.758 -14.515 -6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.999 -13.037 -6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.997 -15.766 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.671 -14.635 -4.958 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.024 -14.883 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.333 -13.352 -3.110 1.00 0.00 H new ATOM 1700 N ASP A 111 -9.725 -15.793 -4.809 1.00 0.00 N ATOM 1701 CA ASP A 111 -10.706 -16.852 -5.021 1.00 0.00 C ATOM 1702 C ASP A 111 -10.236 -18.161 -4.396 1.00 0.00 C ATOM 1703 O ASP A 111 -11.042 -18.948 -3.901 1.00 0.00 O ATOM 1704 CB ASP A 111 -10.960 -17.048 -6.517 1.00 0.00 C ATOM 1705 CG ASP A 111 -12.382 -16.701 -6.913 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -13.306 -17.003 -6.129 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -12.571 -16.129 -8.007 1.00 0.00 O ATOM 0 H ASP A 111 -8.896 -16.084 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.637 -16.554 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -10.266 -16.428 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -10.754 -18.084 -6.785 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.926 -18.388 -4.424 1.00 0.00 N ATOM 1713 CA GLU A 112 -8.350 -19.604 -3.862 1.00 0.00 C ATOM 1714 C GLU A 112 -8.831 -19.822 -2.430 1.00 0.00 C ATOM 1715 O GLU A 112 -8.880 -18.886 -1.632 1.00 0.00 O ATOM 1716 CB GLU A 112 -6.822 -19.532 -3.893 1.00 0.00 C ATOM 1717 CG GLU A 112 -6.170 -20.732 -4.559 1.00 0.00 C ATOM 1718 CD GLU A 112 -5.811 -20.470 -6.009 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -6.394 -19.542 -6.607 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -4.946 -21.194 -6.546 1.00 0.00 O ATOM 0 H GLU A 112 -8.245 -17.746 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.679 -20.447 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.520 -18.626 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.450 -19.447 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.269 -21.003 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.846 -21.585 -4.504 1.00 0.00 H new