USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=28 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 X(o=0.1,f=0.1) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.103 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 17 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.12) USER MOD Single : A 19 TYR OH : rot 152:sc= -0.228 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.197 F(o=-1.2,f=-0.2) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.52 K(o=-1.5,f=-4.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -153:sc= 1.08 USER MOD Single : A 43 TYR OH : rot -90:sc= 1.28 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -140:sc= -0.411 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 65 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 75 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.6!) USER MOD Single : A 76 MET CE :methyl -155:sc= -5.09! (180deg=-6.21!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.467 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.766 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.429 F(o=-3.5,f=-0.43) USER MOD Single : A 100 SER OG : rot 180:sc= 0.26 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 146:sc= -1.27 (180deg=-1.62) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 48:sc= -0.324 USER MOD Single : A 106 SER OG : rot -170:sc= 0.565 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 16.168 6.968 -6.852 1.00 0.00 N ATOM 26 CA ILE A 3 17.103 6.359 -7.790 1.00 0.00 C ATOM 27 C ILE A 3 17.758 5.121 -7.187 1.00 0.00 C ATOM 28 O ILE A 3 17.827 4.973 -5.966 1.00 0.00 O ATOM 29 CB ILE A 3 18.202 7.351 -8.214 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.581 8.687 -8.628 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.029 6.771 -9.352 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.602 9.768 -8.905 1.00 0.00 C ATOM 0 HA ILE A 3 16.526 6.071 -8.669 1.00 0.00 H new ATOM 0 HB ILE A 3 18.861 7.525 -7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.974 8.535 -9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.910 9.026 -7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.801 7.484 -9.640 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.496 5.842 -9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.382 6.571 -10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.090 10.686 -9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.194 9.948 -8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.259 9.449 -9.715 1.00 0.00 H new ATOM 44 N LYS A 4 18.240 4.233 -8.050 1.00 0.00 N ATOM 45 CA LYS A 4 18.893 3.008 -7.604 1.00 0.00 C ATOM 46 C LYS A 4 20.097 3.323 -6.722 1.00 0.00 C ATOM 47 O LYS A 4 20.328 4.475 -6.360 1.00 0.00 O ATOM 48 CB LYS A 4 19.334 2.173 -8.809 1.00 0.00 C ATOM 49 CG LYS A 4 18.663 0.813 -8.885 1.00 0.00 C ATOM 50 CD LYS A 4 19.517 -0.267 -8.243 1.00 0.00 C ATOM 51 CE LYS A 4 18.996 -0.644 -6.865 1.00 0.00 C ATOM 52 NZ LYS A 4 19.633 -1.888 -6.352 1.00 0.00 N ATOM 0 H LYS A 4 18.191 4.339 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 4 18.175 2.436 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.118 2.727 -9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.414 2.034 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.694 0.856 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.474 0.557 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 4 19.530 -1.150 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.546 0.082 -8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.184 0.174 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.916 -0.781 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.251 -2.111 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.432 -2.674 -7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.661 -1.749 -6.284 1.00 0.00 H new ATOM 66 N GLY A 5 20.862 2.290 -6.382 1.00 0.00 N ATOM 67 CA GLY A 5 22.034 2.478 -5.546 1.00 0.00 C ATOM 68 C GLY A 5 22.935 3.587 -6.053 1.00 0.00 C ATOM 69 O GLY A 5 22.915 4.701 -5.530 1.00 0.00 O ATOM 0 H GLY A 5 20.691 1.327 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.718 2.707 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 5 22.599 1.547 -5.502 1.00 0.00 H new ATOM 73 N VAL A 6 23.730 3.282 -7.074 1.00 0.00 N ATOM 74 CA VAL A 6 24.643 4.261 -7.651 1.00 0.00 C ATOM 75 C VAL A 6 24.267 4.579 -9.094 1.00 0.00 C ATOM 76 O VAL A 6 24.791 3.976 -10.031 1.00 0.00 O ATOM 77 CB VAL A 6 26.100 3.762 -7.609 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.053 4.859 -8.060 1.00 0.00 C ATOM 79 CG2 VAL A 6 26.456 3.275 -6.213 1.00 0.00 C ATOM 0 H VAL A 6 23.760 2.364 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 6 24.559 5.166 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 6 26.199 2.923 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.077 4.489 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.810 5.155 -9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.955 5.720 -7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.489 2.926 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.342 4.093 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.793 2.456 -5.933 1.00 0.00 H new ATOM 89 N THR A 7 23.356 5.531 -9.266 1.00 0.00 N ATOM 90 CA THR A 7 22.909 5.930 -10.595 1.00 0.00 C ATOM 91 C THR A 7 22.330 7.340 -10.580 1.00 0.00 C ATOM 92 O THR A 7 21.735 7.767 -9.590 1.00 0.00 O ATOM 93 CB THR A 7 21.849 4.958 -11.146 1.00 0.00 C ATOM 94 OG1 THR A 7 22.015 3.665 -10.554 1.00 0.00 O ATOM 95 CG2 THR A 7 21.953 4.846 -12.660 1.00 0.00 C ATOM 0 H THR A 7 22.913 6.040 -8.501 1.00 0.00 H new ATOM 0 HA THR A 7 23.785 5.907 -11.243 1.00 0.00 H new ATOM 0 HB THR A 7 20.863 5.348 -10.893 1.00 0.00 H new ATOM 0 HG1 THR A 7 21.336 3.053 -10.908 1.00 0.00 H new ATOM 0 HG21 THR A 7 21.195 4.154 -13.027 1.00 0.00 H new ATOM 0 HG22 THR A 7 21.797 5.827 -13.109 1.00 0.00 H new ATOM 0 HG23 THR A 7 22.942 4.477 -12.930 1.00 0.00 H new ATOM 103 N PHE A 8 22.507 8.059 -11.683 1.00 0.00 N ATOM 104 CA PHE A 8 22.002 9.422 -11.797 1.00 0.00 C ATOM 105 C PHE A 8 22.221 9.968 -13.205 1.00 0.00 C ATOM 106 O PHE A 8 23.319 9.880 -13.752 1.00 0.00 O ATOM 107 CB PHE A 8 22.687 10.330 -10.773 1.00 0.00 C ATOM 108 CG PHE A 8 24.139 10.578 -11.068 1.00 0.00 C ATOM 109 CD1 PHE A 8 25.080 9.582 -10.865 1.00 0.00 C ATOM 110 CD2 PHE A 8 24.561 11.806 -11.550 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.417 9.807 -11.136 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.896 12.038 -11.822 1.00 0.00 C ATOM 113 CZ PHE A 8 26.825 11.037 -11.616 1.00 0.00 C ATOM 0 H PHE A 8 22.997 7.720 -12.511 1.00 0.00 H new ATOM 0 HA PHE A 8 20.931 9.403 -11.597 1.00 0.00 H new ATOM 0 HB2 PHE A 8 22.163 11.285 -10.739 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.597 9.881 -9.784 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.766 8.619 -10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.838 12.591 -11.715 1.00 0.00 H new ATOM 0 HE1 PHE A 8 27.141 9.023 -10.973 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.212 13.001 -12.195 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.869 11.215 -11.830 1.00 0.00 H new ATOM 123 N GLY A 9 21.167 10.533 -13.785 1.00 0.00 N ATOM 124 CA GLY A 9 21.264 11.085 -15.124 1.00 0.00 C ATOM 125 C GLY A 9 21.861 10.104 -16.113 1.00 0.00 C ATOM 126 O GLY A 9 22.891 10.382 -16.727 1.00 0.00 O ATOM 0 H GLY A 9 20.248 10.619 -13.352 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.272 11.381 -15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.875 11.988 -15.098 1.00 0.00 H new ATOM 130 N GLU A 10 21.215 8.953 -16.266 1.00 0.00 N ATOM 131 CA GLU A 10 21.691 7.926 -17.186 1.00 0.00 C ATOM 132 C GLU A 10 20.931 7.987 -18.508 1.00 0.00 C ATOM 133 O GLU A 10 21.508 7.783 -19.577 1.00 0.00 O ATOM 134 CB GLU A 10 21.538 6.538 -16.561 1.00 0.00 C ATOM 135 CG GLU A 10 22.743 6.103 -15.744 1.00 0.00 C ATOM 136 CD GLU A 10 23.948 5.783 -16.608 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.584 6.731 -17.113 1.00 0.00 O ATOM 138 OE2 GLU A 10 24.254 4.584 -16.777 1.00 0.00 O ATOM 0 H GLU A 10 20.361 8.708 -15.765 1.00 0.00 H new ATOM 0 HA GLU A 10 22.747 8.112 -17.384 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.655 6.532 -15.922 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.364 5.809 -17.353 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.005 6.893 -15.040 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.480 5.225 -15.154 1.00 0.00 H new ATOM 145 N ASP A 11 19.635 8.267 -18.427 1.00 0.00 N ATOM 146 CA ASP A 11 18.796 8.354 -19.617 1.00 0.00 C ATOM 147 C ASP A 11 17.416 8.902 -19.268 1.00 0.00 C ATOM 148 O ASP A 11 17.041 9.993 -19.699 1.00 0.00 O ATOM 149 CB ASP A 11 18.662 6.980 -20.275 1.00 0.00 C ATOM 150 CG ASP A 11 18.435 7.075 -21.771 1.00 0.00 C ATOM 151 OD1 ASP A 11 19.425 7.256 -22.510 1.00 0.00 O ATOM 152 OD2 ASP A 11 17.268 6.968 -22.202 1.00 0.00 O ATOM 0 H ASP A 11 19.142 8.438 -17.550 1.00 0.00 H new ATOM 0 HA ASP A 11 19.273 9.038 -20.319 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.564 6.399 -20.083 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.832 6.441 -19.818 1.00 0.00 H new ATOM 157 N THR A 12 16.661 8.136 -18.486 1.00 0.00 N ATOM 158 CA THR A 12 15.321 8.543 -18.082 1.00 0.00 C ATOM 159 C THR A 12 14.811 7.687 -16.928 1.00 0.00 C ATOM 160 O THR A 12 15.459 6.720 -16.526 1.00 0.00 O ATOM 161 CB THR A 12 14.327 8.448 -19.254 1.00 0.00 C ATOM 162 OG1 THR A 12 13.074 9.034 -18.883 1.00 0.00 O ATOM 163 CG2 THR A 12 14.114 7.000 -19.667 1.00 0.00 C ATOM 0 H THR A 12 16.955 7.230 -18.120 1.00 0.00 H new ATOM 0 HA THR A 12 15.391 9.581 -17.758 1.00 0.00 H new ATOM 0 HB THR A 12 14.745 8.992 -20.101 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.448 8.971 -19.634 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.408 6.958 -20.496 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.065 6.567 -19.978 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.716 6.436 -18.823 1.00 0.00 H new ATOM 171 N VAL A 13 13.647 8.048 -16.399 1.00 0.00 N ATOM 172 CA VAL A 13 13.049 7.312 -15.292 1.00 0.00 C ATOM 173 C VAL A 13 12.277 6.096 -15.793 1.00 0.00 C ATOM 174 O VAL A 13 11.955 5.998 -16.977 1.00 0.00 O ATOM 175 CB VAL A 13 12.101 8.205 -14.470 1.00 0.00 C ATOM 176 CG1 VAL A 13 11.942 7.660 -13.059 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.610 9.638 -14.443 1.00 0.00 C ATOM 0 H VAL A 13 13.099 8.846 -16.719 1.00 0.00 H new ATOM 0 HA VAL A 13 13.868 6.981 -14.654 1.00 0.00 H new ATOM 0 HB VAL A 13 11.121 8.200 -14.947 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.269 8.304 -12.494 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.529 6.652 -13.103 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.915 7.632 -12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.928 10.255 -13.858 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.601 9.664 -13.991 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.666 10.024 -15.461 1.00 0.00 H new ATOM 187 N TRP A 14 11.982 5.174 -14.885 1.00 0.00 N ATOM 188 CA TRP A 14 11.247 3.964 -15.235 1.00 0.00 C ATOM 189 C TRP A 14 12.017 3.135 -16.257 1.00 0.00 C ATOM 190 O TRP A 14 11.449 2.269 -16.921 1.00 0.00 O ATOM 191 CB TRP A 14 9.867 4.323 -15.788 1.00 0.00 C ATOM 192 CG TRP A 14 8.901 4.767 -14.731 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.931 5.940 -14.034 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.763 4.042 -14.252 1.00 0.00 C ATOM 195 NE1 TRP A 14 7.881 5.989 -13.149 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.149 4.837 -13.264 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.202 2.800 -14.562 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.004 4.428 -12.586 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.066 2.396 -13.888 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.476 3.207 -12.909 1.00 0.00 C ATOM 0 H TRP A 14 12.240 5.241 -13.900 1.00 0.00 H new ATOM 0 HA TRP A 14 11.125 3.369 -14.330 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.975 5.116 -16.528 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.455 3.457 -16.307 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.672 6.716 -14.160 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.679 6.758 -12.510 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.649 2.168 -15.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.548 5.052 -11.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.625 1.438 -14.120 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.588 2.862 -12.400 1.00 0.00 H new ATOM 211 N GLU A 15 13.313 3.408 -16.378 1.00 0.00 N ATOM 212 CA GLU A 15 14.160 2.686 -17.320 1.00 0.00 C ATOM 213 C GLU A 15 15.516 2.367 -16.699 1.00 0.00 C ATOM 214 O GLU A 15 16.067 1.286 -16.905 1.00 0.00 O ATOM 215 CB GLU A 15 14.352 3.506 -18.598 1.00 0.00 C ATOM 216 CG GLU A 15 13.245 3.309 -19.620 1.00 0.00 C ATOM 217 CD GLU A 15 13.746 2.696 -20.913 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.482 1.689 -20.847 1.00 0.00 O ATOM 219 OE2 GLU A 15 13.402 3.223 -21.991 1.00 0.00 O ATOM 0 H GLU A 15 13.798 4.123 -15.836 1.00 0.00 H new ATOM 0 HA GLU A 15 13.665 1.748 -17.569 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.410 4.563 -18.336 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.306 3.238 -19.052 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.473 2.669 -19.194 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.779 4.271 -19.835 1.00 0.00 H new ATOM 226 N VAL A 16 16.050 3.316 -15.936 1.00 0.00 N ATOM 227 CA VAL A 16 17.341 3.137 -15.284 1.00 0.00 C ATOM 228 C VAL A 16 17.230 3.348 -13.778 1.00 0.00 C ATOM 229 O VAL A 16 17.965 2.739 -13.001 1.00 0.00 O ATOM 230 CB VAL A 16 18.395 4.107 -15.850 1.00 0.00 C ATOM 231 CG1 VAL A 16 18.060 5.541 -15.471 1.00 0.00 C ATOM 232 CG2 VAL A 16 19.785 3.729 -15.360 1.00 0.00 C ATOM 0 H VAL A 16 15.608 4.217 -15.755 1.00 0.00 H new ATOM 0 HA VAL A 16 17.656 2.113 -15.483 1.00 0.00 H new ATOM 0 HB VAL A 16 18.385 4.032 -16.937 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.816 6.211 -15.880 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.083 5.806 -15.876 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.040 5.635 -14.385 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.517 4.425 -15.770 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.812 3.774 -14.271 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.024 2.717 -15.687 1.00 0.00 H new ATOM 242 N GLN A 17 16.305 4.213 -13.374 1.00 0.00 N ATOM 243 CA GLN A 17 16.098 4.504 -11.960 1.00 0.00 C ATOM 244 C GLN A 17 15.941 3.217 -11.157 1.00 0.00 C ATOM 245 O GLN A 17 16.539 3.060 -10.093 1.00 0.00 O ATOM 246 CB GLN A 17 14.864 5.389 -11.775 1.00 0.00 C ATOM 247 CG GLN A 17 14.207 5.239 -10.413 1.00 0.00 C ATOM 248 CD GLN A 17 13.228 6.357 -10.111 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.610 7.412 -9.604 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.957 6.131 -10.422 1.00 0.00 N ATOM 0 H GLN A 17 15.688 4.724 -14.005 1.00 0.00 H new ATOM 0 HA GLN A 17 16.976 5.035 -11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.150 6.431 -11.919 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.135 5.149 -12.549 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.686 4.283 -10.369 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.978 5.218 -9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.685 5.242 -10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.253 6.847 -10.242 1.00 0.00 H new ATOM 259 N GLY A 18 15.131 2.298 -11.674 1.00 0.00 N ATOM 260 CA GLY A 18 14.909 1.037 -10.991 1.00 0.00 C ATOM 261 C GLY A 18 13.812 1.126 -9.949 1.00 0.00 C ATOM 262 O GLY A 18 13.892 0.492 -8.897 1.00 0.00 O ATOM 0 H GLY A 18 14.625 2.404 -12.553 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.649 0.272 -11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.835 0.719 -10.512 1.00 0.00 H new ATOM 266 N TYR A 19 12.786 1.918 -10.240 1.00 0.00 N ATOM 267 CA TYR A 19 11.670 2.092 -9.318 1.00 0.00 C ATOM 268 C TYR A 19 10.397 2.472 -10.068 1.00 0.00 C ATOM 269 O TYR A 19 10.448 2.927 -11.211 1.00 0.00 O ATOM 270 CB TYR A 19 12.002 3.164 -8.279 1.00 0.00 C ATOM 271 CG TYR A 19 12.779 2.638 -7.093 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.126 2.063 -6.010 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.166 2.718 -7.055 1.00 0.00 C ATOM 274 CE1 TYR A 19 12.832 1.581 -4.924 1.00 0.00 C ATOM 275 CE2 TYR A 19 14.880 2.238 -5.975 1.00 0.00 C ATOM 276 CZ TYR A 19 14.208 1.671 -4.911 1.00 0.00 C ATOM 277 OH TYR A 19 14.916 1.193 -3.832 1.00 0.00 O ATOM 0 H TYR A 19 12.704 2.449 -11.107 1.00 0.00 H new ATOM 0 HA TYR A 19 11.501 1.143 -8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.578 3.956 -8.758 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.075 3.614 -7.925 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.048 1.991 -6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.695 3.163 -7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.309 1.136 -4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.958 2.306 -5.963 1.00 0.00 H new ATOM 0 HH TYR A 19 15.809 0.914 -4.124 1.00 0.00 H new ATOM 287 N LYS A 20 9.255 2.283 -9.416 1.00 0.00 N ATOM 288 CA LYS A 20 7.967 2.607 -10.019 1.00 0.00 C ATOM 289 C LYS A 20 7.064 3.322 -9.019 1.00 0.00 C ATOM 290 O LYS A 20 7.475 3.619 -7.898 1.00 0.00 O ATOM 291 CB LYS A 20 7.282 1.334 -10.522 1.00 0.00 C ATOM 292 CG LYS A 20 7.892 0.779 -11.797 1.00 0.00 C ATOM 293 CD LYS A 20 9.176 0.018 -11.516 1.00 0.00 C ATOM 294 CE LYS A 20 9.275 -1.242 -12.363 1.00 0.00 C ATOM 295 NZ LYS A 20 9.979 -0.990 -13.651 1.00 0.00 N ATOM 0 H LYS A 20 9.195 1.907 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 20 8.145 3.274 -10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.332 0.573 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.226 1.544 -10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.176 0.118 -12.286 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.096 1.596 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.033 0.661 -11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.219 -0.248 -10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.804 -2.014 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.274 -1.624 -12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.026 -1.872 -14.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.460 -0.271 -14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.943 -0.650 -13.459 1.00 0.00 H new ATOM 309 N ASN A 21 5.830 3.595 -9.433 1.00 0.00 N ATOM 310 CA ASN A 21 4.869 4.275 -8.573 1.00 0.00 C ATOM 311 C ASN A 21 3.500 3.604 -8.651 1.00 0.00 C ATOM 312 O ASN A 21 2.780 3.752 -9.638 1.00 0.00 O ATOM 313 CB ASN A 21 4.750 5.748 -8.969 1.00 0.00 C ATOM 314 CG ASN A 21 6.049 6.506 -8.771 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.026 6.239 -9.630 1.00 0.00 O flip ATOM 316 ND2 ASN A 21 6.171 7.321 -7.857 1.00 0.00 N flip ATOM 0 H ASN A 21 5.473 3.356 -10.358 1.00 0.00 H new ATOM 0 HA ASN A 21 5.229 4.210 -7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.448 5.817 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.964 6.218 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.393 7.494 -7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.050 7.824 -7.736 1.00 0.00 H new ATOM 323 N VAL A 22 3.148 2.866 -7.602 1.00 0.00 N ATOM 324 CA VAL A 22 1.866 2.174 -7.550 1.00 0.00 C ATOM 325 C VAL A 22 0.962 2.772 -6.478 1.00 0.00 C ATOM 326 O VAL A 22 1.391 3.003 -5.348 1.00 0.00 O ATOM 327 CB VAL A 22 2.051 0.671 -7.270 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.882 0.460 -6.014 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.700 -0.018 -7.148 1.00 0.00 C ATOM 0 H VAL A 22 3.733 2.732 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 22 1.399 2.299 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 22 2.586 0.226 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.002 -0.608 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.862 0.918 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.378 0.918 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.849 -1.079 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.137 0.428 -6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.145 0.103 -8.078 1.00 0.00 H new ATOM 339 N ARG A 23 -0.292 3.021 -6.842 1.00 0.00 N ATOM 340 CA ARG A 23 -1.258 3.593 -5.911 1.00 0.00 C ATOM 341 C ARG A 23 -2.172 2.512 -5.343 1.00 0.00 C ATOM 342 O ARG A 23 -2.209 1.389 -5.847 1.00 0.00 O ATOM 343 CB ARG A 23 -2.094 4.669 -6.607 1.00 0.00 C ATOM 344 CG ARG A 23 -1.627 6.086 -6.317 1.00 0.00 C ATOM 345 CD ARG A 23 -0.237 6.341 -6.879 1.00 0.00 C ATOM 346 NE ARG A 23 -0.055 7.733 -7.281 1.00 0.00 N ATOM 347 CZ ARG A 23 0.885 8.137 -8.127 1.00 0.00 C ATOM 348 NH1 ARG A 23 1.725 7.260 -8.659 1.00 0.00 N ATOM 349 NH2 ARG A 23 0.987 9.422 -8.443 1.00 0.00 N ATOM 0 H ARG A 23 -0.663 2.836 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.706 4.047 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.066 4.499 -7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.134 4.567 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.331 6.798 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.622 6.255 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.510 6.080 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.068 5.691 -7.738 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.685 8.434 -6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.650 6.272 -8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.446 7.574 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.343 10.100 -8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.710 9.732 -9.093 1.00 0.00 H new ATOM 363 N ILE A 24 -2.906 2.858 -4.291 1.00 0.00 N ATOM 364 CA ILE A 24 -3.820 1.917 -3.655 1.00 0.00 C ATOM 365 C ILE A 24 -5.086 2.619 -3.175 1.00 0.00 C ATOM 366 O ILE A 24 -5.036 3.747 -2.684 1.00 0.00 O ATOM 367 CB ILE A 24 -3.156 1.207 -2.461 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.706 0.850 -2.794 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.941 -0.041 -2.083 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.026 0.026 -1.723 1.00 0.00 C ATOM 0 H ILE A 24 -2.886 3.783 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.083 1.174 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.157 1.885 -1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.683 0.299 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.140 1.769 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.459 -0.532 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.958 0.238 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.969 -0.724 -2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.001 -0.190 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.018 0.583 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.568 -0.909 -1.584 1.00 0.00 H new ATOM 382 N THR A 25 -6.222 1.944 -3.319 1.00 0.00 N ATOM 383 CA THR A 25 -7.501 2.501 -2.900 1.00 0.00 C ATOM 384 C THR A 25 -8.639 1.518 -3.152 1.00 0.00 C ATOM 385 O THR A 25 -9.204 1.474 -4.245 1.00 0.00 O ATOM 386 CB THR A 25 -7.806 3.821 -3.634 1.00 0.00 C ATOM 387 OG1 THR A 25 -9.096 4.309 -3.249 1.00 0.00 O ATOM 388 CG2 THR A 25 -7.762 3.624 -5.142 1.00 0.00 C ATOM 0 H THR A 25 -6.282 1.009 -3.723 1.00 0.00 H new ATOM 0 HA THR A 25 -7.425 2.697 -1.831 1.00 0.00 H new ATOM 0 HB THR A 25 -7.045 4.550 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.282 5.149 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.980 4.569 -5.639 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.770 3.281 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.504 2.881 -5.434 1.00 0.00 H new ATOM 396 N PHE A 26 -8.971 0.731 -2.134 1.00 0.00 N ATOM 397 CA PHE A 26 -10.042 -0.252 -2.246 1.00 0.00 C ATOM 398 C PHE A 26 -11.121 -0.002 -1.197 1.00 0.00 C ATOM 399 O PHE A 26 -12.202 0.495 -1.510 1.00 0.00 O ATOM 400 CB PHE A 26 -9.482 -1.667 -2.091 1.00 0.00 C ATOM 401 CG PHE A 26 -10.419 -2.739 -2.570 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.468 -3.086 -3.910 1.00 0.00 C ATOM 403 CD2 PHE A 26 -11.251 -3.399 -1.680 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.330 -4.071 -4.353 1.00 0.00 C ATOM 405 CE2 PHE A 26 -12.115 -4.385 -2.117 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.154 -4.722 -3.456 1.00 0.00 C ATOM 0 H PHE A 26 -8.514 0.755 -1.222 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.491 -0.153 -3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.545 -1.741 -2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.247 -1.843 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.826 -2.581 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.224 -3.140 -0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.359 -4.332 -5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.759 -4.891 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.827 -5.493 -3.801 1.00 0.00 H new ATOM 416 N GLU A 27 -10.819 -0.353 0.049 1.00 0.00 N ATOM 417 CA GLU A 27 -11.764 -0.168 1.145 1.00 0.00 C ATOM 418 C GLU A 27 -11.224 -0.774 2.437 1.00 0.00 C ATOM 419 O GLU A 27 -11.058 -1.990 2.543 1.00 0.00 O ATOM 420 CB GLU A 27 -13.113 -0.800 0.796 1.00 0.00 C ATOM 421 CG GLU A 27 -14.228 0.214 0.600 1.00 0.00 C ATOM 422 CD GLU A 27 -15.521 -0.203 1.273 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.483 -0.543 2.474 1.00 0.00 O ATOM 424 OE2 GLU A 27 -16.572 -0.189 0.598 1.00 0.00 O ATOM 0 H GLU A 27 -9.928 -0.767 0.325 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.901 0.903 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.004 -1.388 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.397 -1.491 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.911 1.178 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.406 0.351 -0.467 1.00 0.00 H new ATOM 431 N LEU A 28 -10.952 0.081 3.416 1.00 0.00 N ATOM 432 CA LEU A 28 -10.430 -0.369 4.702 1.00 0.00 C ATOM 433 C LEU A 28 -11.234 0.225 5.854 1.00 0.00 C ATOM 434 O LEU A 28 -11.797 -0.502 6.672 1.00 0.00 O ATOM 435 CB LEU A 28 -8.957 0.017 4.840 1.00 0.00 C ATOM 436 CG LEU A 28 -7.942 -1.079 4.513 1.00 0.00 C ATOM 437 CD1 LEU A 28 -8.240 -1.694 3.155 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.526 -0.523 4.550 1.00 0.00 C ATOM 0 H LEU A 28 -11.084 1.090 3.344 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.520 -1.455 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.763 0.870 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.784 0.351 5.863 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.024 -1.860 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.508 -2.472 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.239 -2.129 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.187 -0.923 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.817 -1.317 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.430 0.278 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.315 -0.131 5.545 1.00 0.00 H new ATOM 450 N ASP A 29 -11.285 1.552 5.910 1.00 0.00 N ATOM 451 CA ASP A 29 -12.023 2.245 6.959 1.00 0.00 C ATOM 452 C ASP A 29 -13.075 3.175 6.361 1.00 0.00 C ATOM 453 O ASP A 29 -13.223 3.256 5.143 1.00 0.00 O ATOM 454 CB ASP A 29 -11.065 3.042 7.845 1.00 0.00 C ATOM 455 CG ASP A 29 -11.335 2.835 9.323 1.00 0.00 C ATOM 456 OD1 ASP A 29 -12.368 3.337 9.812 1.00 0.00 O ATOM 457 OD2 ASP A 29 -10.513 2.172 9.990 1.00 0.00 O ATOM 0 H ASP A 29 -10.824 2.169 5.241 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.530 1.496 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.039 2.749 7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.152 4.102 7.608 1.00 0.00 H new ATOM 462 N GLU A 30 -13.802 3.873 7.228 1.00 0.00 N ATOM 463 CA GLU A 30 -14.840 4.795 6.784 1.00 0.00 C ATOM 464 C GLU A 30 -14.546 6.215 7.259 1.00 0.00 C ATOM 465 O GLU A 30 -14.866 7.188 6.576 1.00 0.00 O ATOM 466 CB GLU A 30 -16.208 4.346 7.303 1.00 0.00 C ATOM 467 CG GLU A 30 -16.238 4.091 8.800 1.00 0.00 C ATOM 468 CD GLU A 30 -17.437 4.726 9.477 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.799 5.861 9.101 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.014 4.088 10.382 1.00 0.00 O ATOM 0 H GLU A 30 -13.691 3.817 8.240 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.853 4.790 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.948 5.108 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.504 3.435 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.250 3.016 8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.324 4.480 9.249 1.00 0.00 H new ATOM 477 N ARG A 31 -13.935 6.325 8.434 1.00 0.00 N ATOM 478 CA ARG A 31 -13.598 7.625 9.001 1.00 0.00 C ATOM 479 C ARG A 31 -12.110 7.921 8.840 1.00 0.00 C ATOM 480 O ARG A 31 -11.712 9.067 8.635 1.00 0.00 O ATOM 481 CB ARG A 31 -13.981 7.674 10.482 1.00 0.00 C ATOM 482 CG ARG A 31 -15.423 7.277 10.751 1.00 0.00 C ATOM 483 CD ARG A 31 -16.390 8.376 10.338 1.00 0.00 C ATOM 484 NE ARG A 31 -17.325 8.713 11.408 1.00 0.00 N ATOM 485 CZ ARG A 31 -18.429 9.429 11.222 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.734 9.880 10.013 1.00 0.00 N ATOM 487 NH2 ARG A 31 -19.230 9.694 12.245 1.00 0.00 N ATOM 0 H ARG A 31 -13.663 5.530 9.012 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.162 8.385 8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.320 7.012 11.042 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.815 8.683 10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.657 6.362 10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.550 7.059 11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.828 9.266 10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.947 8.057 9.457 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.119 8.380 12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.121 9.678 9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.582 10.429 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.999 9.348 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.077 10.244 12.101 1.00 0.00 H new ATOM 501 N VAL A 32 -11.291 6.878 8.935 1.00 0.00 N ATOM 502 CA VAL A 32 -9.847 7.024 8.799 1.00 0.00 C ATOM 503 C VAL A 32 -9.329 6.260 7.586 1.00 0.00 C ATOM 504 O VAL A 32 -8.269 5.636 7.639 1.00 0.00 O ATOM 505 CB VAL A 32 -9.111 6.528 10.058 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.479 7.381 11.262 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.427 5.062 10.315 1.00 0.00 C ATOM 0 H VAL A 32 -11.604 5.922 9.106 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.648 8.087 8.667 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.038 6.621 9.892 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.950 7.016 12.142 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.198 8.417 11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.554 7.322 11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.899 4.727 11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.500 4.941 10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.108 4.466 9.460 1.00 0.00 H new ATOM 517 N ASP A 33 -10.083 6.314 6.494 1.00 0.00 N ATOM 518 CA ASP A 33 -9.699 5.628 5.265 1.00 0.00 C ATOM 519 C ASP A 33 -8.811 6.517 4.401 1.00 0.00 C ATOM 520 O ASP A 33 -7.912 6.034 3.711 1.00 0.00 O ATOM 521 CB ASP A 33 -10.943 5.209 4.480 1.00 0.00 C ATOM 522 CG ASP A 33 -10.712 3.959 3.654 1.00 0.00 C ATOM 523 OD1 ASP A 33 -9.856 3.139 4.046 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.388 3.801 2.615 1.00 0.00 O ATOM 0 H ASP A 33 -10.964 6.825 6.434 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.134 4.737 5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.766 5.036 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.246 6.024 3.823 1.00 0.00 H new ATOM 529 N LYS A 34 -9.069 7.820 4.441 1.00 0.00 N ATOM 530 CA LYS A 34 -8.294 8.778 3.662 1.00 0.00 C ATOM 531 C LYS A 34 -6.850 8.833 4.148 1.00 0.00 C ATOM 532 O LYS A 34 -5.962 9.303 3.436 1.00 0.00 O ATOM 533 CB LYS A 34 -8.927 10.169 3.751 1.00 0.00 C ATOM 534 CG LYS A 34 -8.329 11.040 4.842 1.00 0.00 C ATOM 535 CD LYS A 34 -8.603 10.470 6.223 1.00 0.00 C ATOM 536 CE LYS A 34 -9.219 11.512 7.144 1.00 0.00 C ATOM 537 NZ LYS A 34 -8.224 12.536 7.568 1.00 0.00 N ATOM 0 H LYS A 34 -9.810 8.237 5.005 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.296 8.450 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.813 10.673 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.997 10.061 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.253 11.127 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.743 12.046 4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.274 9.615 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.673 10.103 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.049 12.001 6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.631 11.020 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.683 13.228 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.444 12.073 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.849 13.024 6.730 1.00 0.00 H new ATOM 551 N VAL A 35 -6.620 8.349 5.364 1.00 0.00 N ATOM 552 CA VAL A 35 -5.283 8.340 5.944 1.00 0.00 C ATOM 553 C VAL A 35 -4.336 7.466 5.129 1.00 0.00 C ATOM 554 O VAL A 35 -3.116 7.616 5.204 1.00 0.00 O ATOM 555 CB VAL A 35 -5.305 7.836 7.399 1.00 0.00 C ATOM 556 CG1 VAL A 35 -3.894 7.764 7.961 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.185 8.730 8.259 1.00 0.00 C ATOM 0 H VAL A 35 -7.343 7.958 5.967 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.925 9.370 5.930 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.726 6.831 7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.930 7.406 8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.297 7.079 7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.442 8.756 7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.189 8.359 9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.795 9.748 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.202 8.725 7.867 1.00 0.00 H new ATOM 567 N LEU A 36 -4.906 6.553 4.351 1.00 0.00 N ATOM 568 CA LEU A 36 -4.113 5.653 3.520 1.00 0.00 C ATOM 569 C LEU A 36 -4.472 5.814 2.046 1.00 0.00 C ATOM 570 O LEU A 36 -4.015 5.049 1.199 1.00 0.00 O ATOM 571 CB LEU A 36 -4.329 4.203 3.954 1.00 0.00 C ATOM 572 CG LEU A 36 -5.649 3.563 3.524 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.469 2.787 2.228 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.184 2.655 4.622 1.00 0.00 C ATOM 0 H LEU A 36 -5.914 6.416 4.278 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.062 5.911 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.511 3.601 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.263 4.157 5.041 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.376 4.356 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.419 2.338 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.132 3.464 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.727 2.002 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.124 2.208 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.459 1.867 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.352 3.239 5.527 1.00 0.00 H new ATOM 586 N ASN A 37 -5.294 6.816 1.749 1.00 0.00 N ATOM 587 CA ASN A 37 -5.714 7.078 0.377 1.00 0.00 C ATOM 588 C ASN A 37 -5.342 8.497 -0.044 1.00 0.00 C ATOM 589 O ASN A 37 -5.391 8.837 -1.225 1.00 0.00 O ATOM 590 CB ASN A 37 -7.223 6.871 0.235 1.00 0.00 C ATOM 591 CG ASN A 37 -7.944 8.137 -0.184 1.00 0.00 C ATOM 592 OD1 ASN A 37 -7.946 9.132 0.541 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.560 8.105 -1.360 1.00 0.00 N ATOM 0 H ASN A 37 -5.682 7.459 2.439 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.195 6.376 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.412 6.089 -0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.630 6.522 1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.061 8.927 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.532 7.258 -1.928 1.00 0.00 H new ATOM 600 N GLU A 38 -4.971 9.320 0.932 1.00 0.00 N ATOM 601 CA GLU A 38 -4.592 10.702 0.662 1.00 0.00 C ATOM 602 C GLU A 38 -3.165 10.975 1.128 1.00 0.00 C ATOM 603 O GLU A 38 -2.310 11.384 0.342 1.00 0.00 O ATOM 604 CB GLU A 38 -5.559 11.664 1.355 1.00 0.00 C ATOM 605 CG GLU A 38 -4.997 13.064 1.540 1.00 0.00 C ATOM 606 CD GLU A 38 -6.024 14.145 1.268 1.00 0.00 C ATOM 607 OE1 GLU A 38 -6.449 14.281 0.102 1.00 0.00 O ATOM 608 OE2 GLU A 38 -6.404 14.856 2.222 1.00 0.00 O ATOM 0 H GLU A 38 -4.925 9.054 1.916 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.641 10.862 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.478 11.725 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.826 11.257 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.624 13.170 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.146 13.201 0.873 1.00 0.00 H new ATOM 615 N LYS A 39 -2.914 10.747 2.413 1.00 0.00 N ATOM 616 CA LYS A 39 -1.591 10.967 2.986 1.00 0.00 C ATOM 617 C LYS A 39 -0.748 9.698 2.910 1.00 0.00 C ATOM 618 O LYS A 39 0.271 9.577 3.592 1.00 0.00 O ATOM 619 CB LYS A 39 -1.713 11.425 4.441 1.00 0.00 C ATOM 620 CG LYS A 39 -2.403 10.415 5.341 1.00 0.00 C ATOM 621 CD LYS A 39 -3.075 11.090 6.525 1.00 0.00 C ATOM 622 CE LYS A 39 -4.269 11.924 6.086 1.00 0.00 C ATOM 623 NZ LYS A 39 -4.100 13.361 6.438 1.00 0.00 N ATOM 0 H LYS A 39 -3.610 10.410 3.078 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.096 11.746 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.717 11.628 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.266 12.364 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.146 9.862 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.674 9.689 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.401 10.334 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.355 11.726 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.403 11.827 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.174 11.539 6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.934 13.896 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.997 13.456 7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.251 13.736 5.969 1.00 0.00 H new ATOM 637 N CYS A 40 -1.176 8.757 2.077 1.00 0.00 N ATOM 638 CA CYS A 40 -0.460 7.497 1.912 1.00 0.00 C ATOM 639 C CYS A 40 -1.158 6.604 0.891 1.00 0.00 C ATOM 640 O CYS A 40 -1.536 5.473 1.197 1.00 0.00 O ATOM 641 CB CYS A 40 -0.348 6.770 3.252 1.00 0.00 C ATOM 642 SG CYS A 40 1.234 5.934 3.509 1.00 0.00 S ATOM 0 H CYS A 40 -2.016 8.842 1.505 1.00 0.00 H new ATOM 0 HA CYS A 40 0.541 7.723 1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.502 7.489 4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.150 6.036 3.323 1.00 0.00 H new ATOM 0 HG CYS A 40 1.233 5.350 4.671 1.00 0.00 H new ATOM 648 N SER A 41 -1.326 7.120 -0.322 1.00 0.00 N ATOM 649 CA SER A 41 -1.984 6.371 -1.386 1.00 0.00 C ATOM 650 C SER A 41 -0.968 5.880 -2.413 1.00 0.00 C ATOM 651 O SER A 41 -1.149 4.829 -3.029 1.00 0.00 O ATOM 652 CB SER A 41 -3.040 7.240 -2.073 1.00 0.00 C ATOM 653 OG SER A 41 -2.865 8.608 -1.746 1.00 0.00 O ATOM 0 H SER A 41 -1.016 8.053 -0.593 1.00 0.00 H new ATOM 0 HA SER A 41 -2.471 5.505 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.976 7.110 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.036 6.915 -1.771 1.00 0.00 H new ATOM 0 HG SER A 41 -3.725 9.074 -1.816 1.00 0.00 H new ATOM 659 N VAL A 42 0.102 6.648 -2.592 1.00 0.00 N ATOM 660 CA VAL A 42 1.149 6.291 -3.542 1.00 0.00 C ATOM 661 C VAL A 42 2.332 5.639 -2.837 1.00 0.00 C ATOM 662 O VAL A 42 2.689 6.017 -1.721 1.00 0.00 O ATOM 663 CB VAL A 42 1.644 7.525 -4.320 1.00 0.00 C ATOM 664 CG1 VAL A 42 1.877 8.694 -3.375 1.00 0.00 C ATOM 665 CG2 VAL A 42 2.912 7.193 -5.093 1.00 0.00 C ATOM 0 H VAL A 42 0.267 7.521 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 42 0.712 5.580 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 42 0.874 7.815 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.226 9.557 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.944 8.945 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.628 8.419 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.248 8.076 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.690 6.877 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.708 6.388 -5.799 1.00 0.00 H new ATOM 675 N TYR A 43 2.939 4.658 -3.496 1.00 0.00 N ATOM 676 CA TYR A 43 4.082 3.951 -2.931 1.00 0.00 C ATOM 677 C TYR A 43 5.159 3.726 -3.988 1.00 0.00 C ATOM 678 O TYR A 43 4.931 3.936 -5.180 1.00 0.00 O ATOM 679 CB TYR A 43 3.640 2.609 -2.344 1.00 0.00 C ATOM 680 CG TYR A 43 2.462 2.719 -1.403 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.177 2.929 -1.887 1.00 0.00 C ATOM 682 CD2 TYR A 43 2.635 2.612 -0.028 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.099 3.031 -1.030 1.00 0.00 C ATOM 684 CE2 TYR A 43 1.562 2.711 0.836 1.00 0.00 C ATOM 685 CZ TYR A 43 0.296 2.921 0.331 1.00 0.00 C ATOM 686 OH TYR A 43 -0.776 3.020 1.188 1.00 0.00 O ATOM 0 H TYR A 43 2.658 4.335 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 43 4.501 4.567 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.382 1.933 -3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.479 2.161 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.018 3.014 -2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.625 2.449 0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.893 3.196 -1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.714 2.624 1.902 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.899 3.956 1.451 1.00 0.00 H new ATOM 696 N THR A 44 6.336 3.297 -3.542 1.00 0.00 N ATOM 697 CA THR A 44 7.450 3.043 -4.447 1.00 0.00 C ATOM 698 C THR A 44 7.828 1.566 -4.453 1.00 0.00 C ATOM 699 O THR A 44 7.766 0.895 -3.424 1.00 0.00 O ATOM 700 CB THR A 44 8.687 3.877 -4.063 1.00 0.00 C ATOM 701 OG1 THR A 44 8.296 4.984 -3.243 1.00 0.00 O ATOM 702 CG2 THR A 44 9.403 4.387 -5.305 1.00 0.00 C ATOM 0 H THR A 44 6.542 3.118 -2.559 1.00 0.00 H new ATOM 0 HA THR A 44 7.120 3.334 -5.444 1.00 0.00 H new ATOM 0 HB THR A 44 9.371 3.237 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.088 5.508 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.273 4.973 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.725 3.541 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.725 5.013 -5.885 1.00 0.00 H new ATOM 710 N VAL A 45 8.222 1.066 -5.620 1.00 0.00 N ATOM 711 CA VAL A 45 8.612 -0.332 -5.760 1.00 0.00 C ATOM 712 C VAL A 45 9.806 -0.478 -6.697 1.00 0.00 C ATOM 713 O VAL A 45 9.750 -0.068 -7.856 1.00 0.00 O ATOM 714 CB VAL A 45 7.448 -1.190 -6.291 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.782 -0.510 -7.477 1.00 0.00 C ATOM 716 CG2 VAL A 45 7.940 -2.579 -6.669 1.00 0.00 C ATOM 0 H VAL A 45 8.280 1.608 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 45 8.888 -0.684 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 45 6.706 -1.295 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.962 -1.130 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.394 0.461 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.512 -0.372 -8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.105 -3.172 -7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.702 -2.497 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.367 -3.065 -5.792 1.00 0.00 H new ATOM 726 N GLU A 46 10.884 -1.065 -6.187 1.00 0.00 N ATOM 727 CA GLU A 46 12.091 -1.265 -6.980 1.00 0.00 C ATOM 728 C GLU A 46 11.814 -2.175 -8.173 1.00 0.00 C ATOM 729 O GLU A 46 10.662 -2.487 -8.475 1.00 0.00 O ATOM 730 CB GLU A 46 13.202 -1.864 -6.115 1.00 0.00 C ATOM 731 CG GLU A 46 14.566 -1.239 -6.357 1.00 0.00 C ATOM 732 CD GLU A 46 15.436 -1.239 -5.115 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.066 -1.914 -4.132 1.00 0.00 O ATOM 734 OE2 GLU A 46 16.486 -0.563 -5.125 1.00 0.00 O ATOM 0 H GLU A 46 10.946 -1.410 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 46 12.415 -0.294 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.938 -1.744 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.263 -2.935 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.075 -1.783 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.435 -0.214 -6.705 1.00 0.00 H new ATOM 741 N SER A 47 12.879 -2.596 -8.849 1.00 0.00 N ATOM 742 CA SER A 47 12.751 -3.466 -10.012 1.00 0.00 C ATOM 743 C SER A 47 12.821 -4.934 -9.603 1.00 0.00 C ATOM 744 O SER A 47 12.732 -5.829 -10.442 1.00 0.00 O ATOM 745 CB SER A 47 13.850 -3.156 -11.030 1.00 0.00 C ATOM 746 OG SER A 47 13.414 -3.429 -12.351 1.00 0.00 O ATOM 0 H SER A 47 13.839 -2.349 -8.611 1.00 0.00 H new ATOM 0 HA SER A 47 11.779 -3.280 -10.469 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.140 -2.108 -10.949 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.736 -3.750 -10.806 1.00 0.00 H new ATOM 0 HG SER A 47 14.134 -3.221 -12.983 1.00 0.00 H new ATOM 752 N GLY A 48 12.981 -5.173 -8.305 1.00 0.00 N ATOM 753 CA GLY A 48 13.060 -6.533 -7.805 1.00 0.00 C ATOM 754 C GLY A 48 12.174 -6.760 -6.597 1.00 0.00 C ATOM 755 O GLY A 48 12.665 -6.944 -5.482 1.00 0.00 O ATOM 0 H GLY A 48 13.057 -4.449 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.773 -7.225 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.093 -6.760 -7.542 1.00 0.00 H new ATOM 759 N THR A 49 10.863 -6.744 -6.815 1.00 0.00 N ATOM 760 CA THR A 49 9.906 -6.946 -5.734 1.00 0.00 C ATOM 761 C THR A 49 8.801 -7.910 -6.151 1.00 0.00 C ATOM 762 O THR A 49 8.424 -7.967 -7.321 1.00 0.00 O ATOM 763 CB THR A 49 9.270 -5.615 -5.291 1.00 0.00 C ATOM 764 OG1 THR A 49 10.181 -4.535 -5.523 1.00 0.00 O ATOM 765 CG2 THR A 49 8.894 -5.660 -3.817 1.00 0.00 C ATOM 0 H THR A 49 10.439 -6.593 -7.731 1.00 0.00 H new ATOM 0 HA THR A 49 10.460 -7.372 -4.897 1.00 0.00 H new ATOM 0 HB THR A 49 8.364 -5.458 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.138 -3.904 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.447 -4.709 -3.526 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.178 -6.464 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.788 -5.838 -3.219 1.00 0.00 H new ATOM 773 N GLU A 50 8.285 -8.665 -5.187 1.00 0.00 N ATOM 774 CA GLU A 50 7.223 -9.627 -5.456 1.00 0.00 C ATOM 775 C GLU A 50 5.869 -9.081 -5.011 1.00 0.00 C ATOM 776 O GLU A 50 5.793 -8.064 -4.322 1.00 0.00 O ATOM 777 CB GLU A 50 7.510 -10.951 -4.744 1.00 0.00 C ATOM 778 CG GLU A 50 8.965 -11.382 -4.824 1.00 0.00 C ATOM 779 CD GLU A 50 9.675 -11.291 -3.487 1.00 0.00 C ATOM 780 OE1 GLU A 50 10.182 -10.199 -3.157 1.00 0.00 O ATOM 781 OE2 GLU A 50 9.722 -12.313 -2.771 1.00 0.00 O ATOM 0 H GLU A 50 8.585 -8.629 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 50 7.190 -9.801 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.224 -10.860 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.884 -11.731 -5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.017 -12.408 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.485 -10.758 -5.551 1.00 0.00 H new ATOM 788 N VAL A 51 4.801 -9.765 -5.411 1.00 0.00 N ATOM 789 CA VAL A 51 3.450 -9.350 -5.054 1.00 0.00 C ATOM 790 C VAL A 51 3.184 -9.563 -3.568 1.00 0.00 C ATOM 791 O VAL A 51 2.222 -9.030 -3.015 1.00 0.00 O ATOM 792 CB VAL A 51 2.393 -10.119 -5.869 1.00 0.00 C ATOM 793 CG1 VAL A 51 1.040 -9.430 -5.773 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.832 -10.251 -7.319 1.00 0.00 C ATOM 0 H VAL A 51 4.846 -10.609 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 51 3.374 -8.287 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 51 2.294 -11.121 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.306 -9.987 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.724 -9.392 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.119 -8.416 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.074 -10.797 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.960 -9.259 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.777 -10.792 -7.365 1.00 0.00 H new ATOM 804 N THR A 52 4.045 -10.347 -2.925 1.00 0.00 N ATOM 805 CA THR A 52 3.903 -10.632 -1.503 1.00 0.00 C ATOM 806 C THR A 52 4.674 -9.622 -0.660 1.00 0.00 C ATOM 807 O THR A 52 4.321 -9.362 0.490 1.00 0.00 O ATOM 808 CB THR A 52 4.397 -12.050 -1.162 1.00 0.00 C ATOM 809 OG1 THR A 52 4.371 -12.251 0.255 1.00 0.00 O ATOM 810 CG2 THR A 52 5.808 -12.272 -1.685 1.00 0.00 C ATOM 0 H THR A 52 4.847 -10.795 -3.367 1.00 0.00 H new ATOM 0 HA THR A 52 2.840 -10.560 -1.271 1.00 0.00 H new ATOM 0 HB THR A 52 3.731 -12.767 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.685 -13.156 0.463 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.135 -13.280 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.818 -12.148 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.483 -11.547 -1.230 1.00 0.00 H new ATOM 818 N GLU A 53 5.727 -9.055 -1.241 1.00 0.00 N ATOM 819 CA GLU A 53 6.547 -8.073 -0.541 1.00 0.00 C ATOM 820 C GLU A 53 5.739 -6.820 -0.218 1.00 0.00 C ATOM 821 O GLU A 53 5.943 -6.186 0.818 1.00 0.00 O ATOM 822 CB GLU A 53 7.768 -7.701 -1.386 1.00 0.00 C ATOM 823 CG GLU A 53 9.039 -7.521 -0.572 1.00 0.00 C ATOM 824 CD GLU A 53 9.683 -6.166 -0.789 1.00 0.00 C ATOM 825 OE1 GLU A 53 8.962 -5.149 -0.729 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.910 -6.123 -1.018 1.00 0.00 O ATOM 0 H GLU A 53 6.032 -9.258 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 53 6.883 -8.519 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.932 -8.477 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.558 -6.778 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.809 -7.645 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.750 -8.304 -0.837 1.00 0.00 H new ATOM 833 N PHE A 54 4.820 -6.468 -1.111 1.00 0.00 N ATOM 834 CA PHE A 54 3.981 -5.291 -0.923 1.00 0.00 C ATOM 835 C PHE A 54 2.999 -5.501 0.226 1.00 0.00 C ATOM 836 O PHE A 54 2.514 -4.543 0.826 1.00 0.00 O ATOM 837 CB PHE A 54 3.218 -4.971 -2.210 1.00 0.00 C ATOM 838 CG PHE A 54 4.059 -5.082 -3.449 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.276 -4.426 -3.538 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.633 -5.844 -4.525 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.053 -4.527 -4.677 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.405 -5.948 -5.666 1.00 0.00 C ATOM 843 CZ PHE A 54 5.616 -5.288 -5.743 1.00 0.00 C ATOM 0 H PHE A 54 4.638 -6.982 -1.973 1.00 0.00 H new ATOM 0 HA PHE A 54 4.628 -4.450 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.367 -5.647 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.816 -3.960 -2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.622 -3.828 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.687 -6.362 -4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.000 -4.011 -4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.062 -6.545 -6.498 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.220 -5.367 -6.635 1.00 0.00 H new ATOM 853 N ALA A 55 2.709 -6.763 0.525 1.00 0.00 N ATOM 854 CA ALA A 55 1.786 -7.101 1.601 1.00 0.00 C ATOM 855 C ALA A 55 2.416 -6.844 2.965 1.00 0.00 C ATOM 856 O ALA A 55 1.751 -6.951 3.997 1.00 0.00 O ATOM 857 CB ALA A 55 1.348 -8.554 1.485 1.00 0.00 C ATOM 0 H ALA A 55 3.100 -7.568 0.037 1.00 0.00 H new ATOM 0 HA ALA A 55 0.909 -6.461 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.659 -8.792 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.850 -8.709 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.221 -9.203 1.549 1.00 0.00 H new ATOM 863 N CYS A 56 3.701 -6.506 2.964 1.00 0.00 N ATOM 864 CA CYS A 56 4.421 -6.236 4.203 1.00 0.00 C ATOM 865 C CYS A 56 4.779 -4.757 4.312 1.00 0.00 C ATOM 866 O CYS A 56 5.155 -4.275 5.381 1.00 0.00 O ATOM 867 CB CYS A 56 5.690 -7.086 4.276 1.00 0.00 C ATOM 868 SG CYS A 56 6.186 -7.531 5.957 1.00 0.00 S ATOM 0 H CYS A 56 4.265 -6.413 2.119 1.00 0.00 H new ATOM 0 HA CYS A 56 3.769 -6.497 5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.536 -7.999 3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.506 -6.543 3.800 1.00 0.00 H new ATOM 0 HG CYS A 56 7.268 -8.251 5.914 1.00 0.00 H new ATOM 874 N VAL A 57 4.660 -4.041 3.199 1.00 0.00 N ATOM 875 CA VAL A 57 4.971 -2.617 3.169 1.00 0.00 C ATOM 876 C VAL A 57 3.699 -1.777 3.157 1.00 0.00 C ATOM 877 O VAL A 57 3.712 -0.604 3.533 1.00 0.00 O ATOM 878 CB VAL A 57 5.824 -2.254 1.938 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.986 -2.320 0.670 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.443 -0.875 2.107 1.00 0.00 C ATOM 0 H VAL A 57 4.350 -4.424 2.306 1.00 0.00 H new ATOM 0 HA VAL A 57 5.539 -2.398 4.073 1.00 0.00 H new ATOM 0 HB VAL A 57 6.631 -2.981 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.605 -2.061 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.595 -3.330 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.156 -1.617 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.042 -0.635 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.653 -0.133 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.079 -0.867 2.993 1.00 0.00 H new ATOM 890 N VAL A 58 2.599 -2.384 2.723 1.00 0.00 N ATOM 891 CA VAL A 58 1.316 -1.693 2.664 1.00 0.00 C ATOM 892 C VAL A 58 0.494 -1.952 3.921 1.00 0.00 C ATOM 893 O VAL A 58 -0.470 -1.240 4.202 1.00 0.00 O ATOM 894 CB VAL A 58 0.501 -2.127 1.432 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.790 -1.329 1.337 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.328 -1.971 0.164 1.00 0.00 C ATOM 0 H VAL A 58 2.570 -3.353 2.407 1.00 0.00 H new ATOM 0 HA VAL A 58 1.534 -0.628 2.589 1.00 0.00 H new ATOM 0 HB VAL A 58 0.242 -3.180 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.352 -1.650 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.388 -1.496 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.556 -0.268 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.736 -2.282 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.619 -0.927 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.221 -2.591 0.234 1.00 0.00 H new ATOM 906 N ALA A 59 0.881 -2.976 4.675 1.00 0.00 N ATOM 907 CA ALA A 59 0.181 -3.328 5.904 1.00 0.00 C ATOM 908 C ALA A 59 0.976 -2.896 7.131 1.00 0.00 C ATOM 909 O ALA A 59 0.549 -3.111 8.265 1.00 0.00 O ATOM 910 CB ALA A 59 -0.088 -4.825 5.947 1.00 0.00 C ATOM 0 H ALA A 59 1.676 -3.576 4.456 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.771 -2.798 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.611 -5.074 6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.703 -5.109 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.858 -5.366 5.909 1.00 0.00 H new ATOM 916 N GLU A 60 2.134 -2.287 6.897 1.00 0.00 N ATOM 917 CA GLU A 60 2.989 -1.827 7.985 1.00 0.00 C ATOM 918 C GLU A 60 3.053 -0.302 8.019 1.00 0.00 C ATOM 919 O GLU A 60 3.160 0.301 9.085 1.00 0.00 O ATOM 920 CB GLU A 60 4.398 -2.404 7.836 1.00 0.00 C ATOM 921 CG GLU A 60 5.222 -1.726 6.755 1.00 0.00 C ATOM 922 CD GLU A 60 6.631 -2.280 6.661 1.00 0.00 C ATOM 923 OE1 GLU A 60 6.975 -3.167 7.470 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.389 -1.826 5.778 1.00 0.00 O ATOM 0 H GLU A 60 2.502 -2.101 5.964 1.00 0.00 H new ATOM 0 HA GLU A 60 2.559 -2.177 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.920 -2.315 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.324 -3.468 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.723 -1.847 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.269 -0.656 6.957 1.00 0.00 H new ATOM 931 N ALA A 61 2.987 0.313 6.842 1.00 0.00 N ATOM 932 CA ALA A 61 3.036 1.766 6.737 1.00 0.00 C ATOM 933 C ALA A 61 1.686 2.387 7.079 1.00 0.00 C ATOM 934 O ALA A 61 1.615 3.393 7.785 1.00 0.00 O ATOM 935 CB ALA A 61 3.469 2.179 5.338 1.00 0.00 C ATOM 0 H ALA A 61 2.900 -0.172 5.949 1.00 0.00 H new ATOM 0 HA ALA A 61 3.768 2.133 7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.501 3.267 5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.459 1.773 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.757 1.793 4.608 1.00 0.00 H new ATOM 941 N VAL A 62 0.616 1.782 6.574 1.00 0.00 N ATOM 942 CA VAL A 62 -0.733 2.276 6.827 1.00 0.00 C ATOM 943 C VAL A 62 -0.988 2.437 8.322 1.00 0.00 C ATOM 944 O VAL A 62 -1.563 3.433 8.761 1.00 0.00 O ATOM 945 CB VAL A 62 -1.796 1.332 6.235 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.782 1.397 4.715 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.572 -0.093 6.718 1.00 0.00 C ATOM 0 H VAL A 62 0.657 0.949 5.987 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.810 3.249 6.341 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.778 1.658 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.540 0.723 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.996 2.416 4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.800 1.098 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.332 -0.746 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.584 -0.432 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.639 -0.123 7.806 1.00 0.00 H new ATOM 957 N VAL A 63 -0.555 1.450 9.100 1.00 0.00 N ATOM 958 CA VAL A 63 -0.734 1.482 10.546 1.00 0.00 C ATOM 959 C VAL A 63 -0.127 2.744 11.147 1.00 0.00 C ATOM 960 O VAL A 63 -0.760 3.430 11.951 1.00 0.00 O ATOM 961 CB VAL A 63 -0.100 0.250 11.218 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.140 0.387 12.733 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.804 -1.022 10.771 1.00 0.00 C ATOM 0 H VAL A 63 -0.078 0.618 8.753 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.808 1.475 10.732 1.00 0.00 H new ATOM 0 HB VAL A 63 0.944 0.188 10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.312 -0.493 13.190 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.414 1.277 13.033 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.175 0.476 13.063 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.343 -1.883 11.256 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.857 -0.971 11.047 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.717 -1.125 9.689 1.00 0.00 H new ATOM 973 N LYS A 64 1.105 3.047 10.753 1.00 0.00 N ATOM 974 CA LYS A 64 1.800 4.229 11.250 1.00 0.00 C ATOM 975 C LYS A 64 0.931 5.474 11.101 1.00 0.00 C ATOM 976 O LYS A 64 0.650 6.168 12.079 1.00 0.00 O ATOM 977 CB LYS A 64 3.120 4.423 10.501 1.00 0.00 C ATOM 978 CG LYS A 64 3.952 3.156 10.396 1.00 0.00 C ATOM 979 CD LYS A 64 5.316 3.434 9.788 1.00 0.00 C ATOM 980 CE LYS A 64 6.393 2.561 10.413 1.00 0.00 C ATOM 981 NZ LYS A 64 7.489 3.373 11.010 1.00 0.00 N ATOM 0 H LYS A 64 1.644 2.490 10.090 1.00 0.00 H new ATOM 0 HA LYS A 64 2.009 4.078 12.309 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.908 4.792 9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.705 5.191 11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.076 2.718 11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.424 2.422 9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.280 3.256 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.571 4.484 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.948 1.930 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.806 1.895 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.203 2.741 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.931 3.956 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.100 3.990 11.751 1.00 0.00 H new ATOM 995 N THR A 65 0.507 5.750 9.872 1.00 0.00 N ATOM 996 CA THR A 65 -0.331 6.911 9.596 1.00 0.00 C ATOM 997 C THR A 65 -1.689 6.783 10.275 1.00 0.00 C ATOM 998 O THR A 65 -2.321 7.784 10.616 1.00 0.00 O ATOM 999 CB THR A 65 -0.542 7.104 8.082 1.00 0.00 C ATOM 1000 OG1 THR A 65 0.454 6.378 7.353 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.476 8.577 7.710 1.00 0.00 C ATOM 0 H THR A 65 0.730 5.186 9.052 1.00 0.00 H new ATOM 0 HA THR A 65 0.191 7.780 9.996 1.00 0.00 H new ATOM 0 HB THR A 65 -1.531 6.724 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.312 6.504 6.392 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.628 8.688 6.636 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.253 9.123 8.245 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.501 8.978 7.982 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.134 5.546 10.469 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.420 5.287 11.108 1.00 0.00 C ATOM 1011 C LEU A 66 -3.236 4.956 12.586 1.00 0.00 C ATOM 1012 O LEU A 66 -3.803 3.987 13.089 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.140 4.138 10.402 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.908 4.506 9.132 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -4.287 3.831 7.919 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.375 4.123 9.266 1.00 0.00 C ATOM 0 H LEU A 66 -1.624 4.707 10.193 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.026 6.190 11.029 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.404 3.375 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.838 3.686 11.106 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.847 5.585 8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.847 4.104 7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.252 4.155 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.317 2.749 8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.906 4.392 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.457 3.049 9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.814 4.654 10.111 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.440 5.769 13.274 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.183 5.562 14.695 1.00 0.00 C ATOM 1030 C GLN A 67 -2.475 6.830 15.491 1.00 0.00 C ATOM 1031 O GLN A 67 -1.788 7.156 16.459 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.732 5.131 14.915 1.00 0.00 C ATOM 1033 CG GLN A 67 -0.521 3.629 14.806 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.031 3.013 16.102 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -0.706 3.083 17.130 1.00 0.00 O ATOM 1036 NE2 GLN A 67 1.148 2.405 16.060 1.00 0.00 N ATOM 0 H GLN A 67 -1.963 6.576 12.871 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.847 4.772 15.047 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.098 5.633 14.184 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.408 5.465 15.901 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.458 3.155 14.514 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.200 3.424 14.015 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.673 2.371 15.186 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.529 1.972 16.901 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.518 7.564 15.075 1.00 0.00 N ATOM 1046 CA PRO A 68 -3.925 8.808 15.735 1.00 0.00 C ATOM 1047 C PRO A 68 -4.523 8.562 17.116 1.00 0.00 C ATOM 1048 O PRO A 68 -4.133 9.199 18.095 1.00 0.00 O ATOM 1049 CB PRO A 68 -4.982 9.382 14.789 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.526 8.199 14.066 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.381 7.235 13.928 1.00 0.00 C ATOM 0 HA PRO A 68 -3.080 9.474 15.906 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.765 9.904 15.340 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.545 10.102 14.097 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.350 7.749 14.619 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.916 8.484 13.089 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.721 6.200 13.964 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.858 7.366 12.981 1.00 0.00 H new ATOM 1059 N VAL A 69 -5.472 7.634 17.188 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.123 7.303 18.450 1.00 0.00 C ATOM 1061 C VAL A 69 -6.674 5.882 18.428 1.00 0.00 C ATOM 1062 O VAL A 69 -7.886 5.674 18.484 1.00 0.00 O ATOM 1063 CB VAL A 69 -7.270 8.282 18.764 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -6.720 9.598 19.293 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.126 8.512 17.528 1.00 0.00 C ATOM 0 H VAL A 69 -5.807 7.098 16.387 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.364 7.383 19.228 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.899 7.841 19.538 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.545 10.277 19.509 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.153 9.415 20.205 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.068 10.047 18.544 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.932 9.206 17.767 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.511 8.931 16.732 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.550 7.564 17.198 1.00 0.00 H new ATOM 1075 N SER A 70 -5.776 4.906 18.346 1.00 0.00 N ATOM 1076 CA SER A 70 -6.172 3.503 18.313 1.00 0.00 C ATOM 1077 C SER A 70 -7.025 3.150 19.529 1.00 0.00 C ATOM 1078 O SER A 70 -7.822 2.213 19.491 1.00 0.00 O ATOM 1079 CB SER A 70 -4.936 2.603 18.265 1.00 0.00 C ATOM 1080 OG SER A 70 -3.780 3.301 18.692 1.00 0.00 O ATOM 0 H SER A 70 -4.769 5.061 18.301 1.00 0.00 H new ATOM 0 HA SER A 70 -6.766 3.340 17.414 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.093 1.731 18.899 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.789 2.236 17.249 1.00 0.00 H new ATOM 0 HG SER A 70 -3.004 2.703 18.654 1.00 0.00 H new ATOM 1086 N ASP A 71 -6.849 3.908 20.606 1.00 0.00 N ATOM 1087 CA ASP A 71 -7.602 3.677 21.834 1.00 0.00 C ATOM 1088 C ASP A 71 -9.103 3.763 21.574 1.00 0.00 C ATOM 1089 O ASP A 71 -9.906 3.212 22.329 1.00 0.00 O ATOM 1090 CB ASP A 71 -7.198 4.693 22.903 1.00 0.00 C ATOM 1091 CG ASP A 71 -5.733 4.589 23.277 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -5.346 3.566 23.881 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -4.972 5.529 22.967 1.00 0.00 O ATOM 0 H ASP A 71 -6.192 4.687 20.654 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.370 2.674 22.191 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.407 5.700 22.541 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.809 4.542 23.793 1.00 0.00 H new ATOM 1098 N LEU A 72 -9.475 4.456 20.504 1.00 0.00 N ATOM 1099 CA LEU A 72 -10.880 4.615 20.146 1.00 0.00 C ATOM 1100 C LEU A 72 -11.351 3.462 19.265 1.00 0.00 C ATOM 1101 O LEU A 72 -12.412 2.881 19.498 1.00 0.00 O ATOM 1102 CB LEU A 72 -11.095 5.945 19.422 1.00 0.00 C ATOM 1103 CG LEU A 72 -10.788 7.206 20.231 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -10.819 8.435 19.336 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.775 7.356 21.380 1.00 0.00 C ATOM 0 H LEU A 72 -8.823 4.917 19.869 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.466 4.610 21.065 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.475 5.952 18.526 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.133 5.993 19.092 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.786 7.111 20.649 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.598 9.323 19.929 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.073 8.330 18.548 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.808 8.534 18.888 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.541 8.259 21.945 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.787 7.428 20.983 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.704 6.489 22.036 1.00 0.00 H new ATOM 1117 N LEU A 73 -10.554 3.134 18.253 1.00 0.00 N ATOM 1118 CA LEU A 73 -10.888 2.048 17.338 1.00 0.00 C ATOM 1119 C LEU A 73 -11.215 0.771 18.105 1.00 0.00 C ATOM 1120 O LEU A 73 -12.203 0.095 17.815 1.00 0.00 O ATOM 1121 CB LEU A 73 -9.729 1.795 16.372 1.00 0.00 C ATOM 1122 CG LEU A 73 -9.080 3.037 15.761 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -8.099 2.644 14.667 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -10.144 3.978 15.213 1.00 0.00 C ATOM 0 H LEU A 73 -9.673 3.604 18.046 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.769 2.343 16.769 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.960 1.230 16.899 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.090 1.162 15.561 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.529 3.558 16.544 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.647 3.541 14.244 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.319 2.009 15.088 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.626 2.100 13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.665 4.857 14.782 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.722 3.465 14.444 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.808 4.286 16.021 1.00 0.00 H new ATOM 1136 N THR A 74 -10.379 0.445 19.086 1.00 0.00 N ATOM 1137 CA THR A 74 -10.579 -0.750 19.895 1.00 0.00 C ATOM 1138 C THR A 74 -11.978 -0.776 20.501 1.00 0.00 C ATOM 1139 O THR A 74 -12.548 -1.843 20.724 1.00 0.00 O ATOM 1140 CB THR A 74 -9.540 -0.843 21.028 1.00 0.00 C ATOM 1141 OG1 THR A 74 -8.439 0.031 20.755 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.035 -2.269 21.184 1.00 0.00 C ATOM 0 H THR A 74 -9.557 0.993 19.339 1.00 0.00 H new ATOM 0 HA THR A 74 -10.457 -1.605 19.230 1.00 0.00 H new ATOM 0 HB THR A 74 -10.021 -0.542 21.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.783 -0.032 21.481 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.302 -2.309 21.990 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.871 -2.927 21.420 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.569 -2.594 20.254 1.00 0.00 H new ATOM 1150 N ASN A 75 -12.526 0.406 20.763 1.00 0.00 N ATOM 1151 CA ASN A 75 -13.859 0.518 21.344 1.00 0.00 C ATOM 1152 C ASN A 75 -14.923 0.592 20.252 1.00 0.00 C ATOM 1153 O ASN A 75 -16.098 0.320 20.497 1.00 0.00 O ATOM 1154 CB ASN A 75 -13.946 1.754 22.240 1.00 0.00 C ATOM 1155 CG ASN A 75 -14.892 2.803 21.689 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -16.111 2.639 21.731 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -14.332 3.889 21.168 1.00 0.00 N ATOM 0 H ASN A 75 -12.068 1.299 20.582 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.042 -0.372 21.946 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.278 1.456 23.234 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.953 2.188 22.353 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.918 4.629 20.782 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.316 3.983 21.154 1.00 0.00 H new ATOM 1164 N MET A 76 -14.501 0.961 19.047 1.00 0.00 N ATOM 1165 CA MET A 76 -15.417 1.069 17.917 1.00 0.00 C ATOM 1166 C MET A 76 -15.436 -0.223 17.107 1.00 0.00 C ATOM 1167 O MET A 76 -15.843 -0.233 15.946 1.00 0.00 O ATOM 1168 CB MET A 76 -15.018 2.242 17.020 1.00 0.00 C ATOM 1169 CG MET A 76 -15.100 3.592 17.713 1.00 0.00 C ATOM 1170 SD MET A 76 -14.760 4.967 16.597 1.00 0.00 S ATOM 1171 CE MET A 76 -12.979 4.850 16.447 1.00 0.00 C ATOM 0 H MET A 76 -13.532 1.190 18.828 1.00 0.00 H new ATOM 0 HA MET A 76 -16.419 1.245 18.309 1.00 0.00 H new ATOM 0 HB2 MET A 76 -13.999 2.087 16.664 1.00 0.00 H new ATOM 0 HB3 MET A 76 -15.664 2.254 16.142 1.00 0.00 H new ATOM 0 HG2 MET A 76 -16.094 3.715 18.143 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.390 3.616 18.539 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.571 5.826 16.185 1.00 0.00 H new ATOM 0 HE2 MET A 76 -12.555 4.522 17.396 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.726 4.131 15.668 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.991 -1.312 17.727 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.965 -2.594 17.047 1.00 0.00 C ATOM 1183 C GLY A 77 -13.940 -2.638 15.931 1.00 0.00 C ATOM 1184 O GLY A 77 -14.181 -3.235 14.882 1.00 0.00 O ATOM 0 H GLY A 77 -14.648 -1.329 18.688 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.745 -3.380 17.769 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.953 -2.805 16.637 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.795 -2.002 16.156 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.731 -1.971 15.161 1.00 0.00 C ATOM 1190 C ILE A 78 -10.359 -2.052 15.820 1.00 0.00 C ATOM 1191 O ILE A 78 -9.924 -1.116 16.491 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.801 -0.694 14.302 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.091 -0.675 13.480 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.585 -0.600 13.393 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.374 0.661 12.830 1.00 0.00 C ATOM 0 H ILE A 78 -12.581 -1.501 17.019 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.874 -2.840 14.519 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.803 0.172 14.964 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.031 -1.441 12.707 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.928 -0.940 14.126 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.649 0.307 12.792 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.679 -0.571 13.999 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.554 -1.469 12.735 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.303 0.601 12.264 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.467 1.428 13.599 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.556 0.919 12.158 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.680 -3.177 15.623 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.354 -3.380 16.196 1.00 0.00 C ATOM 1209 C ASP A 79 -7.273 -2.815 15.280 1.00 0.00 C ATOM 1210 O ASP A 79 -7.243 -3.106 14.084 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.104 -4.869 16.441 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.724 -5.163 17.879 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.748 -4.559 18.371 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.403 -5.998 18.513 1.00 0.00 O ATOM 0 H ASP A 79 -10.026 -3.962 15.071 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.312 -2.850 17.148 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.001 -5.432 16.183 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.309 -5.215 15.780 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.388 -2.004 15.849 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.306 -1.395 15.084 1.00 0.00 C ATOM 1221 C LEU A 80 -4.069 -2.289 15.085 1.00 0.00 C ATOM 1222 O LEU A 80 -3.306 -2.310 14.119 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.957 -0.022 15.659 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.228 0.936 14.716 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -2.790 0.486 14.505 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -4.959 1.033 13.385 1.00 0.00 C ATOM 0 H LEU A 80 -6.399 -1.753 16.838 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.645 -1.275 14.055 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.879 0.456 15.989 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.339 -0.168 16.545 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.214 1.925 15.173 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.287 1.180 13.831 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.270 0.469 15.463 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.782 -0.513 14.070 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.426 1.719 12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.004 0.047 12.922 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.971 1.402 13.552 1.00 0.00 H new ATOM 1238 N ASP A 81 -3.879 -3.025 16.174 1.00 0.00 N ATOM 1239 CA ASP A 81 -2.737 -3.924 16.299 1.00 0.00 C ATOM 1240 C ASP A 81 -2.909 -5.149 15.406 1.00 0.00 C ATOM 1241 O ASP A 81 -1.934 -5.809 15.050 1.00 0.00 O ATOM 1242 CB ASP A 81 -2.562 -4.359 17.755 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.239 -3.903 18.340 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -0.775 -2.805 17.970 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -0.668 -4.646 19.166 1.00 0.00 O ATOM 0 H ASP A 81 -4.500 -3.017 16.983 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.845 -3.386 15.978 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.379 -3.955 18.353 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.629 -5.445 17.817 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.155 -5.446 15.050 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.453 -6.593 14.201 1.00 0.00 C ATOM 1252 C GLU A 82 -4.155 -6.278 12.737 1.00 0.00 C ATOM 1253 O GLU A 82 -3.794 -7.163 11.962 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.918 -7.004 14.357 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.862 -6.263 13.425 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.319 -6.447 13.802 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.621 -7.392 14.561 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.157 -5.647 13.337 1.00 0.00 O ATOM 0 H GLU A 82 -4.973 -4.909 15.336 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.816 -7.420 14.514 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.007 -8.075 14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.228 -6.830 15.387 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.619 -5.201 13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.708 -6.613 12.404 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.311 -5.012 12.368 1.00 0.00 N ATOM 1266 CA TRP A 83 -4.059 -4.579 10.998 1.00 0.00 C ATOM 1267 C TRP A 83 -2.698 -5.067 10.514 1.00 0.00 C ATOM 1268 O TRP A 83 -2.591 -5.690 9.458 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.133 -3.055 10.900 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.536 -2.532 10.827 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.668 -3.157 11.265 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.954 -1.276 10.280 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.765 -2.366 11.024 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.354 -1.206 10.421 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.283 -0.204 9.687 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -8.091 -0.107 9.990 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -6.016 0.887 9.259 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.408 0.929 9.413 1.00 0.00 C ATOM 0 H TRP A 83 -4.611 -4.267 12.998 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.828 -5.014 10.359 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.634 -2.618 11.765 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.584 -2.728 10.017 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.697 -4.130 11.732 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.729 -2.604 11.256 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.210 -0.227 9.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.164 -0.073 10.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.507 1.721 8.798 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.953 1.796 9.070 1.00 0.00 H new ATOM 1289 N SER A 84 -1.660 -4.779 11.293 1.00 0.00 N ATOM 1290 CA SER A 84 -0.304 -5.185 10.942 1.00 0.00 C ATOM 1291 C SER A 84 -0.216 -6.700 10.779 1.00 0.00 C ATOM 1292 O SER A 84 0.404 -7.200 9.840 1.00 0.00 O ATOM 1293 CB SER A 84 0.684 -4.718 12.011 1.00 0.00 C ATOM 1294 OG SER A 84 0.174 -3.605 12.726 1.00 0.00 O ATOM 0 H SER A 84 -1.732 -4.266 12.172 1.00 0.00 H new ATOM 0 HA SER A 84 -0.046 -4.719 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.890 -5.535 12.702 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.631 -4.450 11.543 1.00 0.00 H new ATOM 0 HG SER A 84 0.824 -3.327 13.405 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.842 -7.425 11.701 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.836 -8.883 11.660 1.00 0.00 C ATOM 1302 C VAL A 85 -2.111 -9.420 11.019 1.00 0.00 C ATOM 1303 O VAL A 85 -2.625 -10.464 11.417 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.693 -9.483 13.071 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -2.003 -9.371 13.835 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -0.235 -10.931 12.990 1.00 0.00 C ATOM 0 H VAL A 85 -1.359 -7.027 12.485 1.00 0.00 H new ATOM 0 HA VAL A 85 0.023 -9.179 11.058 1.00 0.00 H new ATOM 0 HB VAL A 85 0.064 -8.916 13.613 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.882 -9.800 14.830 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.283 -8.322 13.924 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.784 -9.911 13.299 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.139 -11.339 13.996 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.967 -11.513 12.430 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.730 -10.980 12.485 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.614 -8.698 10.022 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.827 -9.104 9.323 1.00 0.00 C ATOM 1318 C ALA A 86 -3.502 -9.684 7.951 1.00 0.00 C ATOM 1319 O ALA A 86 -2.336 -9.870 7.604 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.778 -7.923 9.188 1.00 0.00 C ATOM 0 H ALA A 86 -2.200 -7.830 9.681 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.313 -9.883 9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.680 -8.240 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.044 -7.555 10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.292 -7.127 8.624 1.00 0.00 H new ATOM 1326 N THR A 87 -4.542 -9.970 7.173 1.00 0.00 N ATOM 1327 CA THR A 87 -4.367 -10.531 5.840 1.00 0.00 C ATOM 1328 C THR A 87 -4.755 -9.524 4.764 1.00 0.00 C ATOM 1329 O THR A 87 -5.937 -9.326 4.481 1.00 0.00 O ATOM 1330 CB THR A 87 -5.204 -11.811 5.654 1.00 0.00 C ATOM 1331 OG1 THR A 87 -5.129 -12.621 6.833 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.717 -12.607 4.454 1.00 0.00 C ATOM 0 H THR A 87 -5.514 -9.822 7.444 1.00 0.00 H new ATOM 0 HA THR A 87 -3.310 -10.779 5.738 1.00 0.00 H new ATOM 0 HB THR A 87 -6.240 -11.519 5.479 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.665 -13.432 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.323 -13.506 4.343 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.803 -11.998 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.675 -12.889 4.603 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.753 -8.888 4.166 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.989 -7.900 3.120 1.00 0.00 C ATOM 1342 C PHE A 88 -3.756 -8.504 1.738 1.00 0.00 C ATOM 1343 O PHE A 88 -2.697 -9.070 1.466 1.00 0.00 O ATOM 1344 CB PHE A 88 -3.078 -6.687 3.319 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.656 -5.648 4.237 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -4.263 -6.016 5.427 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.592 -4.303 3.910 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.796 -5.061 6.272 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.123 -3.344 4.752 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.725 -3.724 5.935 1.00 0.00 C ATOM 0 H PHE A 88 -2.769 -9.039 4.388 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.029 -7.579 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.121 -7.023 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.875 -6.232 2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.320 -7.060 5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.122 -4.000 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.268 -5.361 7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.067 -2.299 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.140 -2.977 6.595 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.753 -8.379 0.869 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.659 -8.914 -0.484 1.00 0.00 C ATOM 1362 C TYR A 89 -4.540 -7.790 -1.508 1.00 0.00 C ATOM 1363 O TYR A 89 -5.226 -6.772 -1.413 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.881 -9.778 -0.799 1.00 0.00 C ATOM 1365 CG TYR A 89 -6.001 -11.002 0.081 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -5.188 -12.110 -0.122 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.927 -11.050 1.115 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.295 -13.231 0.679 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -7.040 -12.165 1.923 1.00 0.00 C ATOM 1370 CZ TYR A 89 -6.221 -13.253 1.700 1.00 0.00 C ATOM 1371 OH TYR A 89 -6.331 -14.367 2.501 1.00 0.00 O ATOM 0 H TYR A 89 -5.635 -7.912 1.077 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.762 -9.530 -0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.781 -9.173 -0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.833 -10.094 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.460 -12.095 -0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.570 -10.200 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.657 -14.085 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.764 -12.185 2.724 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.029 -14.219 3.172 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.663 -7.981 -2.488 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.453 -6.984 -3.532 1.00 0.00 C ATOM 1383 C LEU A 90 -4.220 -7.351 -4.798 1.00 0.00 C ATOM 1384 O LEU A 90 -4.400 -8.529 -5.108 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.961 -6.853 -3.846 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.061 -6.460 -2.674 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.710 -5.361 -1.847 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.755 -7.673 -1.806 1.00 0.00 C ATOM 0 H LEU A 90 -3.086 -8.817 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.827 -6.027 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.609 -7.804 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.840 -6.112 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.122 -6.078 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.055 -5.095 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.877 -4.485 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.664 -5.715 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.113 -7.375 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.685 -8.085 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.247 -8.429 -2.404 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.668 -6.335 -5.528 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.415 -6.551 -6.762 1.00 0.00 C ATOM 1402 C PHE A 91 -5.307 -5.338 -7.681 1.00 0.00 C ATOM 1403 O PHE A 91 -4.635 -4.358 -7.358 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.885 -6.839 -6.449 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.242 -8.295 -6.538 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.605 -8.860 -7.750 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.215 -9.099 -5.410 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.934 -10.200 -7.835 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -7.543 -10.439 -5.489 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.904 -10.990 -6.703 1.00 0.00 C ATOM 0 H PHE A 91 -4.527 -5.354 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.984 -7.412 -7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.112 -6.478 -5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.512 -6.276 -7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.631 -8.246 -8.638 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.934 -8.673 -4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.214 -10.629 -8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.517 -11.055 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.162 -12.037 -6.767 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.973 -5.412 -8.828 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.953 -4.321 -9.796 1.00 0.00 C ATOM 1422 C ASP A 92 -7.286 -4.223 -10.532 1.00 0.00 C ATOM 1423 O ASP A 92 -8.233 -4.945 -10.220 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.816 -4.521 -10.799 1.00 0.00 C ATOM 1425 CG ASP A 92 -4.645 -5.973 -11.198 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -5.670 -6.657 -11.406 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.486 -6.427 -11.304 1.00 0.00 O ATOM 0 H ASP A 92 -6.534 -6.216 -9.110 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.789 -3.390 -9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.011 -3.923 -11.689 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.885 -4.154 -10.367 1.00 0.00 H new ATOM 1432 N ASP A 93 -7.352 -3.325 -11.508 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.568 -3.132 -12.289 1.00 0.00 C ATOM 1434 C ASP A 93 -8.781 -4.290 -13.258 1.00 0.00 C ATOM 1435 O ASP A 93 -9.813 -4.373 -13.924 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.502 -1.812 -13.058 1.00 0.00 C ATOM 1437 CG ASP A 93 -7.250 -1.698 -13.905 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -7.280 -2.145 -15.072 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -6.241 -1.161 -13.403 1.00 0.00 O ATOM 0 H ASP A 93 -6.577 -2.719 -11.778 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.412 -3.099 -11.600 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.380 -1.724 -13.698 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.537 -0.982 -12.353 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.799 -5.182 -13.332 1.00 0.00 N ATOM 1445 CA ALA A 94 -7.879 -6.336 -14.219 1.00 0.00 C ATOM 1446 C ALA A 94 -8.376 -7.569 -13.472 1.00 0.00 C ATOM 1447 O ALA A 94 -8.437 -8.663 -14.032 1.00 0.00 O ATOM 1448 CB ALA A 94 -6.523 -6.611 -14.851 1.00 0.00 C ATOM 0 H ALA A 94 -6.938 -5.128 -12.788 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.596 -6.108 -15.008 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.598 -7.475 -15.511 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.207 -5.741 -15.427 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.791 -6.814 -14.069 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.730 -7.384 -12.204 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.216 -8.491 -11.401 1.00 0.00 C ATOM 1456 C GLY A 95 -8.143 -9.527 -11.130 1.00 0.00 C ATOM 1457 O GLY A 95 -8.428 -10.722 -11.063 1.00 0.00 O ATOM 0 H GLY A 95 -8.689 -6.488 -11.719 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.595 -8.109 -10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.054 -8.966 -11.912 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.905 -9.068 -10.976 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.785 -9.964 -10.714 1.00 0.00 C ATOM 1463 C GLU A 96 -4.841 -9.367 -9.674 1.00 0.00 C ATOM 1464 O GLU A 96 -4.816 -8.154 -9.469 1.00 0.00 O ATOM 1465 CB GLU A 96 -5.020 -10.253 -12.007 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.294 -9.041 -12.567 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.446 -9.378 -13.779 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.337 -10.577 -14.113 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -2.892 -8.443 -14.393 1.00 0.00 O ATOM 0 H GLU A 96 -6.652 -8.081 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.186 -10.898 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.296 -11.046 -11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.718 -10.627 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.024 -8.279 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.659 -8.612 -11.792 1.00 0.00 H new ATOM 1476 N GLU A 97 -4.067 -10.229 -9.022 1.00 0.00 N ATOM 1477 CA GLU A 97 -3.123 -9.786 -8.002 1.00 0.00 C ATOM 1478 C GLU A 97 -1.756 -9.499 -8.616 1.00 0.00 C ATOM 1479 O GLU A 97 -0.847 -10.325 -8.546 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.990 -10.844 -6.905 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.115 -10.408 -5.742 1.00 0.00 C ATOM 1482 CD GLU A 97 -1.193 -11.511 -5.260 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -0.554 -12.165 -6.111 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -1.111 -11.721 -4.032 1.00 0.00 O ATOM 0 H GLU A 97 -4.075 -11.236 -9.181 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.506 -8.865 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.983 -11.092 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.577 -11.755 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.519 -9.547 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.749 -10.083 -4.917 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.618 -8.322 -9.217 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.363 -7.926 -9.844 1.00 0.00 C ATOM 1493 C ASN A 98 0.094 -6.563 -9.333 1.00 0.00 C ATOM 1494 O ASN A 98 -0.567 -5.948 -8.496 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.518 -7.886 -11.366 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.567 -9.273 -11.978 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.589 -10.042 -11.620 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.304 -9.647 -12.763 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.360 -7.626 -9.283 1.00 0.00 H new ATOM 0 HA ASN A 98 0.394 -8.666 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.430 -7.346 -11.622 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.314 -7.330 -11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.071 -9.022 -13.009 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.259 -10.582 -13.167 1.00 0.00 H new ATOM 1505 N PHE A 99 1.229 -6.096 -9.842 1.00 0.00 N ATOM 1506 CA PHE A 99 1.776 -4.806 -9.437 1.00 0.00 C ATOM 1507 C PHE A 99 1.775 -3.824 -10.606 1.00 0.00 C ATOM 1508 O PHE A 99 2.825 -3.329 -11.015 1.00 0.00 O ATOM 1509 CB PHE A 99 3.198 -4.976 -8.900 1.00 0.00 C ATOM 1510 CG PHE A 99 4.060 -5.860 -9.756 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.039 -7.236 -9.595 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.891 -5.314 -10.721 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.831 -8.052 -10.381 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.685 -6.126 -11.510 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.656 -7.496 -11.339 1.00 0.00 C ATOM 0 H PHE A 99 1.788 -6.592 -10.536 1.00 0.00 H new ATOM 0 HA PHE A 99 1.143 -4.403 -8.646 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.666 -3.995 -8.817 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.151 -5.392 -7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.396 -7.676 -8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.919 -4.243 -10.858 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.805 -9.123 -10.246 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.328 -5.689 -12.260 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.277 -8.131 -11.953 1.00 0.00 H new ATOM 1525 N SER A 100 0.589 -3.549 -11.139 1.00 0.00 N ATOM 1526 CA SER A 100 0.451 -2.630 -12.263 1.00 0.00 C ATOM 1527 C SER A 100 0.508 -1.181 -11.790 1.00 0.00 C ATOM 1528 O SER A 100 0.855 -0.904 -10.642 1.00 0.00 O ATOM 1529 CB SER A 100 -0.865 -2.887 -13.000 1.00 0.00 C ATOM 1530 OG SER A 100 -0.873 -2.250 -14.266 1.00 0.00 O ATOM 0 H SER A 100 -0.290 -3.949 -10.811 1.00 0.00 H new ATOM 0 HA SER A 100 1.282 -2.803 -12.947 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.010 -3.960 -13.128 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.699 -2.522 -12.400 1.00 0.00 H new ATOM 0 HG SER A 100 -1.724 -2.431 -14.718 1.00 0.00 H new ATOM 1536 N SER A 101 0.163 -0.259 -12.684 1.00 0.00 N ATOM 1537 CA SER A 101 0.178 1.163 -12.361 1.00 0.00 C ATOM 1538 C SER A 101 -0.586 1.434 -11.068 1.00 0.00 C ATOM 1539 O SER A 101 -0.265 2.365 -10.329 1.00 0.00 O ATOM 1540 CB SER A 101 -0.431 1.974 -13.506 1.00 0.00 C ATOM 1541 OG SER A 101 0.340 3.132 -13.777 1.00 0.00 O ATOM 0 H SER A 101 -0.130 -0.472 -13.638 1.00 0.00 H new ATOM 0 HA SER A 101 1.215 1.468 -12.221 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.492 1.356 -14.402 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.450 2.264 -13.249 1.00 0.00 H new ATOM 0 HG SER A 101 -0.069 3.632 -14.514 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.597 0.614 -10.803 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.408 0.766 -9.601 1.00 0.00 C ATOM 1549 C ARG A 102 -2.670 -0.588 -8.948 1.00 0.00 C ATOM 1550 O ARG A 102 -3.028 -1.554 -9.621 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.736 1.446 -9.938 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.718 1.476 -8.778 1.00 0.00 C ATOM 1553 CD ARG A 102 -5.140 2.897 -8.441 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.592 3.628 -9.622 1.00 0.00 N ATOM 1555 CZ ARG A 102 -5.958 4.905 -9.601 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -5.923 5.589 -8.466 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -6.358 5.500 -10.717 1.00 0.00 N ATOM 0 H ARG A 102 -1.874 -0.162 -11.404 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.856 1.390 -8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.539 2.468 -10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.196 0.928 -10.779 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.598 0.884 -9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.263 1.013 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.941 2.872 -7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.302 3.426 -7.986 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.629 3.131 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.615 5.135 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.204 6.569 -8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.385 4.977 -11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.639 6.480 -10.700 1.00 0.00 H new ATOM 1571 N MET A 103 -2.489 -0.650 -7.633 1.00 0.00 N ATOM 1572 CA MET A 103 -2.706 -1.885 -6.889 1.00 0.00 C ATOM 1573 C MET A 103 -3.623 -1.646 -5.693 1.00 0.00 C ATOM 1574 O MET A 103 -3.218 -1.043 -4.699 1.00 0.00 O ATOM 1575 CB MET A 103 -1.371 -2.462 -6.414 1.00 0.00 C ATOM 1576 CG MET A 103 -1.413 -3.959 -6.154 1.00 0.00 C ATOM 1577 SD MET A 103 0.215 -4.648 -5.799 1.00 0.00 S ATOM 1578 CE MET A 103 0.797 -3.511 -4.544 1.00 0.00 C ATOM 0 H MET A 103 -2.193 0.141 -7.061 1.00 0.00 H new ATOM 0 HA MET A 103 -3.186 -2.601 -7.556 1.00 0.00 H new ATOM 0 HB2 MET A 103 -0.607 -2.253 -7.163 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.069 -1.951 -5.500 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.079 -4.160 -5.315 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.835 -4.463 -7.023 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.415 -4.048 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 103 1.387 -2.723 -5.012 1.00 0.00 H new ATOM 0 HE3 MET A 103 -0.056 -3.069 -4.030 1.00 0.00 H new ATOM 1588 N TYR A 104 -4.859 -2.121 -5.797 1.00 0.00 N ATOM 1589 CA TYR A 104 -5.834 -1.956 -4.725 1.00 0.00 C ATOM 1590 C TYR A 104 -5.602 -2.978 -3.616 1.00 0.00 C ATOM 1591 O TYR A 104 -4.942 -3.997 -3.823 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.255 -2.096 -5.274 1.00 0.00 C ATOM 1593 CG TYR A 104 -7.558 -1.152 -6.416 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -7.513 0.225 -6.236 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -7.890 -1.638 -7.675 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -7.790 1.091 -7.276 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.167 -0.779 -8.721 1.00 0.00 C ATOM 1598 CZ TYR A 104 -8.116 0.584 -8.517 1.00 0.00 C ATOM 1599 OH TYR A 104 -8.393 1.442 -9.556 1.00 0.00 O ATOM 0 H TYR A 104 -5.210 -2.623 -6.612 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.710 -0.957 -4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.406 -3.121 -5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.966 -1.918 -4.468 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.257 0.625 -5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.932 -2.705 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.752 2.159 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.422 -1.173 -9.694 1.00 0.00 H new ATOM 0 HH TYR A 104 -8.603 0.924 -10.361 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.151 -2.698 -2.439 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.005 -3.591 -1.296 1.00 0.00 C ATOM 1611 C CYS A 105 -7.348 -4.201 -0.907 1.00 0.00 C ATOM 1612 O CYS A 105 -8.120 -3.601 -0.159 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.410 -2.838 -0.106 1.00 0.00 C ATOM 1614 SG CYS A 105 -6.225 -1.264 0.254 1.00 0.00 S ATOM 0 H CYS A 105 -6.701 -1.860 -2.252 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.329 -4.397 -1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.466 -3.474 0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.353 -2.652 -0.299 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.514 -1.435 0.266 1.00 0.00 H new ATOM 1620 N SER A 106 -7.622 -5.395 -1.423 1.00 0.00 N ATOM 1621 CA SER A 106 -8.874 -6.084 -1.134 1.00 0.00 C ATOM 1622 C SER A 106 -8.788 -6.838 0.189 1.00 0.00 C ATOM 1623 O SER A 106 -7.732 -7.357 0.553 1.00 0.00 O ATOM 1624 CB SER A 106 -9.219 -7.054 -2.266 1.00 0.00 C ATOM 1625 OG SER A 106 -8.130 -7.205 -3.158 1.00 0.00 O ATOM 0 H SER A 106 -6.993 -5.905 -2.043 1.00 0.00 H new ATOM 0 HA SER A 106 -9.662 -5.335 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.488 -8.024 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.090 -6.688 -2.810 1.00 0.00 H new ATOM 0 HG SER A 106 -8.424 -7.698 -3.952 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.905 -6.893 0.906 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.957 -7.582 2.190 1.00 0.00 C ATOM 1633 C PHE A 107 -10.251 -9.067 1.998 1.00 0.00 C ATOM 1634 O PHE A 107 -10.287 -9.833 2.962 1.00 0.00 O ATOM 1635 CB PHE A 107 -11.023 -6.951 3.088 1.00 0.00 C ATOM 1636 CG PHE A 107 -12.419 -7.096 2.554 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -13.141 -8.259 2.769 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -13.010 -6.068 1.837 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -14.426 -8.394 2.277 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -14.295 -6.197 1.344 1.00 0.00 C ATOM 1641 CZ PHE A 107 -15.004 -7.361 1.565 1.00 0.00 C ATOM 0 H PHE A 107 -10.787 -6.468 0.620 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.983 -7.481 2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.971 -7.408 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.799 -5.892 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -12.695 -9.069 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -12.460 -5.155 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -14.977 -9.306 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -14.744 -5.388 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 107 -16.009 -7.464 1.182 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.460 -9.466 0.749 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.753 -10.859 0.431 1.00 0.00 C ATOM 1653 C TYR A 108 -9.614 -11.487 -0.366 1.00 0.00 C ATOM 1654 O TYR A 108 -8.850 -10.806 -1.050 1.00 0.00 O ATOM 1655 CB TYR A 108 -12.059 -10.959 -0.360 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.983 -10.336 -1.736 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.061 -8.958 -1.902 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.833 -11.124 -2.870 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.993 -8.385 -3.157 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.762 -10.560 -4.129 1.00 0.00 C ATOM 1661 CZ TYR A 108 -11.842 -9.190 -4.267 1.00 0.00 C ATOM 1662 OH TYR A 108 -11.774 -8.623 -5.519 1.00 0.00 O ATOM 0 H TYR A 108 -10.432 -8.845 -0.060 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.860 -11.405 1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.334 -12.009 -0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.855 -10.474 0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.177 -8.325 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.771 -12.197 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.058 -7.313 -3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.645 -11.188 -5.000 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.666 -9.327 -6.192 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.496 -12.820 -0.276 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.454 -13.572 -0.981 1.00 0.00 C ATOM 1674 C PRO A 109 -8.677 -13.595 -2.490 1.00 0.00 C ATOM 1675 O PRO A 109 -9.740 -13.228 -2.990 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.579 -14.983 -0.401 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.992 -15.078 0.062 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.371 -13.697 0.521 1.00 0.00 C ATOM 0 HA PRO A 109 -7.468 -13.127 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.357 -15.741 -1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.881 -15.136 0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.645 -15.414 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.089 -15.799 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.425 -13.488 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.202 -13.569 1.590 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.652 -14.038 -3.233 1.00 0.00 N ATOM 1687 CA PRO A 110 -7.712 -14.120 -4.696 1.00 0.00 C ATOM 1688 C PRO A 110 -8.660 -15.214 -5.176 1.00 0.00 C ATOM 1689 O PRO A 110 -9.514 -14.977 -6.030 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.271 -14.450 -5.092 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.694 -15.125 -3.897 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.355 -14.492 -2.704 1.00 0.00 C ATOM 0 HA PRO A 110 -8.091 -13.200 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.240 -15.099 -5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.714 -13.548 -5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.884 -16.198 -3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.613 -14.994 -3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.481 -15.205 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.768 -13.661 -2.313 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.504 -16.411 -4.621 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.347 -17.541 -4.992 1.00 0.00 C ATOM 1702 C ASP A 111 -8.928 -18.801 -4.241 1.00 0.00 C ATOM 1703 O ASP A 111 -9.763 -19.639 -3.901 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.277 -17.784 -6.500 1.00 0.00 C ATOM 1705 CG ASP A 111 -10.582 -17.458 -7.201 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -11.631 -17.986 -6.776 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -10.553 -16.674 -8.172 1.00 0.00 O ATOM 0 H ASP A 111 -7.802 -16.624 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.374 -17.301 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.478 -17.177 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.019 -18.827 -6.685 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.629 -18.929 -3.988 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.100 -20.088 -3.279 1.00 0.00 C ATOM 1714 C GLU A 112 -7.509 -20.060 -1.809 1.00 0.00 C ATOM 1715 O GLU A 112 -7.903 -21.080 -1.245 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.575 -20.132 -3.395 1.00 0.00 C ATOM 1717 CG GLU A 112 -4.921 -21.120 -2.444 1.00 0.00 C ATOM 1718 CD GLU A 112 -3.431 -21.265 -2.688 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -2.944 -20.741 -3.712 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -2.752 -21.902 -1.856 1.00 0.00 O ATOM 0 H GLU A 112 -6.924 -18.245 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.518 -20.984 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.304 -20.392 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.175 -19.136 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.087 -20.795 -1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.400 -22.093 -2.552 1.00 0.00 H new