USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 731 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 51 HIS : no HD1:sc= -4.64! C(o=-6!,f=-6.8!) USER MOD Set 1.2: A 54 HIS : no HD1:sc= -1.41 K(o=-6,f=-6.8!) USER MOD Set 2.1: A 10 THR OG1 : rot -95:sc= -1.5 USER MOD Set 2.2: A 81 MET CE :methyl 155:sc= -6.2! (180deg=-4.56) USER MOD Set 3.1: A 6 SER OG : rot 44:sc= -0.366 USER MOD Set 3.2: A 57 MET CE :methyl -109:sc= -4.94 (180deg=-7.45!) USER MOD Set 4.1: A 5 THR OG1 : rot -40:sc= 0.739 USER MOD Set 4.2: A 92 GLN :FLIP amide:sc= 0.625 F(o=-0.26,f=1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -1.29 (180deg=-1.34) USER MOD Single : A 4 SER OG : rot 148:sc= 0.919 USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 12 SER OG : rot -62:sc= 1.13 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.83! C(o=-3.8!,f=-4.8!) USER MOD Single : A 21 CYS SG : rot -60:sc= -3.19 USER MOD Single : A 22 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.763) USER MOD Single : A 23 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.01) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.748 USER MOD Single : A 45 ASN : amide:sc= -6.16! C(o=-6.2!,f=-9!) USER MOD Single : A 46 CYS SG : rot 108:sc= -2.51 USER MOD Single : A 60 ASN : amide:sc= -1.9 K(o=-1.9,f=-7.6!) USER MOD Single : A 61 SER OG : rot -71:sc= -6.98! USER MOD Single : A 66 SER OG : rot 60:sc= 0.956 USER MOD Single : A 69 HIS : no HE2:sc= -0.173 K(o=-0.17,f=-3.3!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.31! C(o=-2.7!,f=-1.3!) USER MOD Single : A 72 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.2!) USER MOD Single : A 77 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-3.6!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.573 F(o=-1.6,f=-0.57) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -41:sc= 0.0206 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0502 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.450 15.279 -5.788 1.00 0.00 N ATOM 2 CA MET A 1 6.950 14.351 -4.737 1.00 0.00 C ATOM 3 C MET A 1 5.525 14.699 -4.320 1.00 0.00 C ATOM 4 O MET A 1 5.293 15.522 -3.438 1.00 0.00 O ATOM 5 CB MET A 1 7.906 14.397 -3.544 1.00 0.00 C ATOM 6 CG MET A 1 7.955 15.744 -2.841 1.00 0.00 C ATOM 7 SD MET A 1 9.458 16.670 -3.212 1.00 0.00 S ATOM 8 CE MET A 1 10.436 16.325 -1.753 1.00 0.00 C ATOM 0 H1 MET A 1 8.453 15.081 -5.977 1.00 0.00 H new ATOM 0 H2 MET A 1 6.900 15.144 -6.660 1.00 0.00 H new ATOM 0 H3 MET A 1 7.347 16.261 -5.462 1.00 0.00 H new ATOM 0 HA MET A 1 6.920 13.337 -5.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.609 13.634 -2.824 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.909 14.140 -3.885 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.088 16.335 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.885 15.590 -1.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.399 16.830 -1.833 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.910 16.684 -0.869 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.596 15.250 -1.668 1.00 0.00 H new ATOM 17 N PHE A 2 4.578 14.042 -4.970 1.00 0.00 N ATOM 18 CA PHE A 2 3.158 14.242 -4.693 1.00 0.00 C ATOM 19 C PHE A 2 2.661 13.117 -3.792 1.00 0.00 C ATOM 20 O PHE A 2 3.385 12.147 -3.564 1.00 0.00 O ATOM 21 CB PHE A 2 2.352 14.283 -6.001 1.00 0.00 C ATOM 22 CG PHE A 2 3.170 14.629 -7.215 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.715 15.895 -7.359 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.383 13.693 -8.212 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.461 16.219 -8.477 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.127 14.011 -9.332 1.00 0.00 C ATOM 27 CZ PHE A 2 4.667 15.276 -9.464 1.00 0.00 C ATOM 0 H PHE A 2 4.767 13.357 -5.702 1.00 0.00 H new ATOM 0 HA PHE A 2 3.021 15.197 -4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.883 13.312 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.548 15.012 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.555 16.636 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.963 12.703 -8.113 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.882 17.208 -8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.286 13.272 -10.103 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.249 15.527 -10.338 1.00 0.00 H new ATOM 37 N ARG A 3 1.441 13.229 -3.269 1.00 0.00 N ATOM 38 CA ARG A 3 0.927 12.175 -2.395 1.00 0.00 C ATOM 39 C ARG A 3 -0.589 11.980 -2.524 1.00 0.00 C ATOM 40 O ARG A 3 -1.367 12.926 -2.400 1.00 0.00 O ATOM 41 CB ARG A 3 1.306 12.443 -0.927 1.00 0.00 C ATOM 42 CG ARG A 3 2.098 11.307 -0.301 1.00 0.00 C ATOM 43 CD ARG A 3 3.576 11.644 -0.166 1.00 0.00 C ATOM 44 NE ARG A 3 4.056 11.452 1.201 1.00 0.00 N ATOM 45 CZ ARG A 3 3.788 12.284 2.204 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.047 13.365 1.999 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.264 12.035 3.417 1.00 0.00 N ATOM 0 H ARG A 3 0.807 14.012 -3.428 1.00 0.00 H new ATOM 0 HA ARG A 3 1.399 11.249 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.891 13.361 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.398 12.608 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.688 11.079 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.986 10.409 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.155 11.018 -0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.741 12.678 -0.467 1.00 0.00 H new ATOM 0 HE ARG A 3 4.630 10.632 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.679 13.562 1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.845 13.999 2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.835 11.206 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.059 12.673 4.186 1.00 0.00 H new ATOM 61 N SER A 4 -0.987 10.724 -2.746 1.00 0.00 N ATOM 62 CA SER A 4 -2.392 10.339 -2.865 1.00 0.00 C ATOM 63 C SER A 4 -2.721 9.337 -1.766 1.00 0.00 C ATOM 64 O SER A 4 -1.812 8.773 -1.156 1.00 0.00 O ATOM 65 CB SER A 4 -2.668 9.704 -4.235 1.00 0.00 C ATOM 66 OG SER A 4 -3.745 8.784 -4.168 1.00 0.00 O ATOM 0 H SER A 4 -0.338 9.943 -2.848 1.00 0.00 H new ATOM 0 HA SER A 4 -3.014 11.228 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.898 10.484 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.772 9.194 -4.589 1.00 0.00 H new ATOM 0 HG SER A 4 -4.232 8.788 -5.018 1.00 0.00 H new ATOM 72 N THR A 5 -4.002 9.105 -1.506 1.00 0.00 N ATOM 73 CA THR A 5 -4.370 8.150 -0.466 1.00 0.00 C ATOM 74 C THR A 5 -5.650 7.385 -0.790 1.00 0.00 C ATOM 75 O THR A 5 -6.670 7.974 -1.148 1.00 0.00 O ATOM 76 CB THR A 5 -4.517 8.849 0.893 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.683 9.652 0.916 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.345 9.742 1.272 1.00 0.00 C ATOM 0 H THR A 5 -4.785 9.550 -1.985 1.00 0.00 H new ATOM 0 HA THR A 5 -3.557 7.425 -0.418 1.00 0.00 H new ATOM 0 HB THR A 5 -4.567 8.034 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.784 10.107 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.533 10.195 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.434 9.146 1.319 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.228 10.526 0.523 1.00 0.00 H new ATOM 86 N SER A 6 -5.586 6.064 -0.632 1.00 0.00 N ATOM 87 CA SER A 6 -6.740 5.197 -0.873 1.00 0.00 C ATOM 88 C SER A 6 -7.209 4.553 0.436 1.00 0.00 C ATOM 89 O SER A 6 -6.404 4.005 1.188 1.00 0.00 O ATOM 90 CB SER A 6 -6.394 4.109 -1.893 1.00 0.00 C ATOM 91 OG SER A 6 -7.565 3.483 -2.386 1.00 0.00 O ATOM 0 H SER A 6 -4.745 5.569 -0.337 1.00 0.00 H new ATOM 0 HA SER A 6 -7.547 5.810 -1.275 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.835 4.546 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.747 3.364 -1.430 1.00 0.00 H new ATOM 0 HG SER A 6 -8.240 4.164 -2.587 1.00 0.00 H new ATOM 97 N HIS A 7 -8.513 4.629 0.707 1.00 0.00 N ATOM 98 CA HIS A 7 -9.080 4.057 1.934 1.00 0.00 C ATOM 99 C HIS A 7 -10.050 2.916 1.616 1.00 0.00 C ATOM 100 O HIS A 7 -10.933 3.058 0.771 1.00 0.00 O ATOM 101 CB HIS A 7 -9.800 5.145 2.738 1.00 0.00 C ATOM 102 CG HIS A 7 -9.917 4.844 4.201 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.010 3.665 4.864 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 -9.955 5.828 5.169 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 -10.099 3.958 6.202 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 -10.063 5.267 6.361 1.00 0.00 N flip ATOM 0 H HIS A 7 -9.196 5.079 0.097 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.260 3.652 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.267 6.088 2.613 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.799 5.286 2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.904 6.890 4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.185 3.233 6.998 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.110 5.762 7.252 1.00 0.00 H new ATOM 115 N VAL A 8 -9.877 1.780 2.297 1.00 0.00 N ATOM 116 CA VAL A 8 -10.735 0.614 2.083 1.00 0.00 C ATOM 117 C VAL A 8 -11.065 -0.074 3.405 1.00 0.00 C ATOM 118 O VAL A 8 -10.285 0.002 4.356 1.00 0.00 O ATOM 119 CB VAL A 8 -10.066 -0.415 1.147 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.101 -1.350 0.540 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.265 0.284 0.057 1.00 0.00 C ATOM 0 H VAL A 8 -9.151 1.644 3.000 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.652 0.980 1.620 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.377 -1.014 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.605 -2.066 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.619 -1.885 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.822 -0.770 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.803 -0.462 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.928 0.916 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.489 0.899 0.513 1.00 0.00 H new ATOM 131 N ARG A 9 -12.204 -0.765 3.464 1.00 0.00 N ATOM 132 CA ARG A 9 -12.573 -1.474 4.690 1.00 0.00 C ATOM 133 C ARG A 9 -12.249 -2.964 4.563 1.00 0.00 C ATOM 134 O ARG A 9 -12.936 -3.704 3.860 1.00 0.00 O ATOM 135 CB ARG A 9 -14.061 -1.285 5.014 1.00 0.00 C ATOM 136 CG ARG A 9 -14.331 -0.073 5.892 1.00 0.00 C ATOM 137 CD ARG A 9 -14.007 1.223 5.167 1.00 0.00 C ATOM 138 NE ARG A 9 -14.844 1.415 3.985 1.00 0.00 N ATOM 139 CZ ARG A 9 -16.115 1.810 4.033 1.00 0.00 C ATOM 140 NH1 ARG A 9 -16.696 2.057 5.200 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.805 1.960 2.911 1.00 0.00 N ATOM 0 H ARG A 9 -12.872 -0.849 2.698 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.990 -1.052 5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.619 -1.184 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.434 -2.179 5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.378 -0.069 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.734 -0.141 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.144 2.063 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.958 1.220 4.871 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.431 1.236 3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.169 1.945 6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.670 2.359 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.362 1.773 2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.778 2.262 2.947 1.00 0.00 H new ATOM 155 N THR A 10 -11.189 -3.391 5.249 1.00 0.00 N ATOM 156 CA THR A 10 -10.752 -4.788 5.222 1.00 0.00 C ATOM 157 C THR A 10 -10.531 -5.335 6.637 1.00 0.00 C ATOM 158 O THR A 10 -10.281 -4.574 7.564 1.00 0.00 O ATOM 159 CB THR A 10 -9.476 -4.923 4.389 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.604 -5.972 3.447 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.247 -5.199 5.216 1.00 0.00 C ATOM 0 H THR A 10 -10.613 -2.785 5.834 1.00 0.00 H new ATOM 0 HA THR A 10 -11.542 -5.380 4.761 1.00 0.00 H new ATOM 0 HB THR A 10 -9.350 -3.959 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.218 -6.793 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.379 -5.283 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.092 -4.382 5.921 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.379 -6.132 5.764 1.00 0.00 H new ATOM 169 N GLU A 11 -10.598 -6.654 6.796 1.00 0.00 N ATOM 170 CA GLU A 11 -10.377 -7.274 8.104 1.00 0.00 C ATOM 171 C GLU A 11 -8.999 -7.950 8.185 1.00 0.00 C ATOM 172 O GLU A 11 -8.509 -8.494 7.196 1.00 0.00 O ATOM 173 CB GLU A 11 -11.478 -8.294 8.391 1.00 0.00 C ATOM 174 CG GLU A 11 -12.309 -7.944 9.611 1.00 0.00 C ATOM 175 CD GLU A 11 -13.799 -7.980 9.336 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.311 -9.062 8.976 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.455 -6.927 9.479 1.00 0.00 O ATOM 0 H GLU A 11 -10.802 -7.312 6.043 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.406 -6.486 8.856 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.132 -8.368 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.027 -9.276 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.076 -8.641 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.032 -6.949 9.960 1.00 0.00 H new ATOM 184 N SER A 12 -8.382 -7.914 9.373 1.00 0.00 N ATOM 185 CA SER A 12 -7.068 -8.524 9.585 1.00 0.00 C ATOM 186 C SER A 12 -6.017 -7.914 8.661 1.00 0.00 C ATOM 187 O SER A 12 -5.022 -8.551 8.318 1.00 0.00 O ATOM 188 CB SER A 12 -7.150 -10.035 9.379 1.00 0.00 C ATOM 189 OG SER A 12 -5.858 -10.617 9.330 1.00 0.00 O ATOM 0 H SER A 12 -8.775 -7.467 10.202 1.00 0.00 H new ATOM 0 HA SER A 12 -6.763 -8.323 10.612 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.724 -10.485 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.684 -10.250 8.453 1.00 0.00 H new ATOM 0 HG SER A 12 -5.364 -10.252 8.567 1.00 0.00 H new ATOM 195 N ALA A 13 -6.255 -6.672 8.270 1.00 0.00 N ATOM 196 CA ALA A 13 -5.344 -5.941 7.383 1.00 0.00 C ATOM 197 C ALA A 13 -3.892 -5.968 7.856 1.00 0.00 C ATOM 198 O ALA A 13 -2.986 -6.290 7.088 1.00 0.00 O ATOM 199 CB ALA A 13 -5.790 -4.499 7.262 1.00 0.00 C ATOM 0 H ALA A 13 -7.078 -6.139 8.553 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.384 -6.446 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.109 -3.962 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.798 -4.463 6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.784 -4.032 8.247 1.00 0.00 H new ATOM 205 N ALA A 14 -3.676 -5.574 9.103 1.00 0.00 N ATOM 206 CA ALA A 14 -2.326 -5.489 9.676 1.00 0.00 C ATOM 207 C ALA A 14 -1.419 -6.668 9.303 1.00 0.00 C ATOM 208 O ALA A 14 -0.196 -6.528 9.304 1.00 0.00 O ATOM 209 CB ALA A 14 -2.421 -5.337 11.181 1.00 0.00 C ATOM 0 H ALA A 14 -4.420 -5.305 9.747 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.853 -4.609 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.419 -5.274 11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.974 -4.429 11.421 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.939 -6.199 11.602 1.00 0.00 H new ATOM 215 N ARG A 15 -1.998 -7.820 8.986 1.00 0.00 N ATOM 216 CA ARG A 15 -1.196 -8.989 8.620 1.00 0.00 C ATOM 217 C ARG A 15 -0.752 -8.922 7.168 1.00 0.00 C ATOM 218 O ARG A 15 0.381 -9.275 6.842 1.00 0.00 O ATOM 219 CB ARG A 15 -1.987 -10.277 8.855 1.00 0.00 C ATOM 220 CG ARG A 15 -1.137 -11.526 9.081 1.00 0.00 C ATOM 221 CD ARG A 15 0.264 -11.433 8.475 1.00 0.00 C ATOM 222 NE ARG A 15 1.157 -12.443 9.041 1.00 0.00 N ATOM 223 CZ ARG A 15 1.898 -12.256 10.133 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.849 -11.103 10.789 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.685 -13.227 10.572 1.00 0.00 N ATOM 0 H ARG A 15 -3.006 -7.973 8.974 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.309 -8.990 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.634 -10.135 9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.636 -10.448 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.049 -11.706 10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.651 -12.387 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.204 -11.562 7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.675 -10.440 8.655 1.00 0.00 H new ATOM 0 HE ARG A 15 1.217 -13.346 8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.242 -10.353 10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.419 -10.967 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.723 -14.117 10.074 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.253 -13.085 11.408 1.00 0.00 H new ATOM 239 N TYR A 16 -1.635 -8.460 6.299 1.00 0.00 N ATOM 240 CA TYR A 16 -1.294 -8.355 4.889 1.00 0.00 C ATOM 241 C TYR A 16 -0.197 -7.312 4.698 1.00 0.00 C ATOM 242 O TYR A 16 0.557 -7.382 3.736 1.00 0.00 O ATOM 243 CB TYR A 16 -2.523 -8.022 4.029 1.00 0.00 C ATOM 244 CG TYR A 16 -3.673 -9.026 4.114 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.493 -10.348 4.542 1.00 0.00 C ATOM 246 CD2 TYR A 16 -4.960 -8.633 3.762 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.560 -11.226 4.613 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.025 -9.510 3.832 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.820 -10.802 4.259 1.00 0.00 C ATOM 250 OH TYR A 16 -6.881 -11.675 4.330 1.00 0.00 O ATOM 0 H TYR A 16 -2.579 -8.156 6.538 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.925 -9.325 4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.897 -7.041 4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.207 -7.944 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.506 -10.687 4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.130 -7.621 3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.404 -12.242 4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.016 -9.183 3.552 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.700 -11.218 4.047 1.00 0.00 H new ATOM 260 N VAL A 17 -0.085 -6.368 5.639 1.00 0.00 N ATOM 261 CA VAL A 17 0.963 -5.349 5.567 1.00 0.00 C ATOM 262 C VAL A 17 2.282 -5.940 6.049 1.00 0.00 C ATOM 263 O VAL A 17 3.323 -5.756 5.419 1.00 0.00 O ATOM 264 CB VAL A 17 0.618 -4.076 6.389 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.869 -3.310 6.817 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.266 -3.160 5.578 1.00 0.00 C ATOM 0 H VAL A 17 -0.700 -6.290 6.449 1.00 0.00 H new ATOM 0 HA VAL A 17 1.047 -5.040 4.525 1.00 0.00 H new ATOM 0 HB VAL A 17 0.098 -4.407 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.578 -2.429 7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.496 -3.953 7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.427 -3.001 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.502 -2.271 6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.253 -2.867 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.188 -3.680 5.319 1.00 0.00 H new ATOM 276 N ASN A 18 2.231 -6.651 7.170 1.00 0.00 N ATOM 277 CA ASN A 18 3.422 -7.266 7.731 1.00 0.00 C ATOM 278 C ASN A 18 3.935 -8.398 6.842 1.00 0.00 C ATOM 279 O ASN A 18 5.129 -8.690 6.836 1.00 0.00 O ATOM 280 CB ASN A 18 3.135 -7.796 9.137 1.00 0.00 C ATOM 281 CG ASN A 18 2.439 -6.772 10.010 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.504 -5.570 9.749 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.766 -7.243 11.053 1.00 0.00 N ATOM 0 H ASN A 18 1.378 -6.814 7.705 1.00 0.00 H new ATOM 0 HA ASN A 18 4.196 -6.501 7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.515 -8.690 9.066 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.072 -8.094 9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.276 -6.601 11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.739 -8.247 11.231 1.00 0.00 H new ATOM 290 N ARG A 19 3.035 -9.044 6.104 1.00 0.00 N ATOM 291 CA ARG A 19 3.420 -10.149 5.235 1.00 0.00 C ATOM 292 C ARG A 19 4.075 -9.667 3.940 1.00 0.00 C ATOM 293 O ARG A 19 4.750 -10.438 3.259 1.00 0.00 O ATOM 294 CB ARG A 19 2.197 -11.006 4.908 1.00 0.00 C ATOM 295 CG ARG A 19 2.496 -12.492 4.886 1.00 0.00 C ATOM 296 CD ARG A 19 1.735 -13.236 5.967 1.00 0.00 C ATOM 297 NE ARG A 19 0.292 -13.211 5.740 1.00 0.00 N ATOM 298 CZ ARG A 19 -0.569 -14.027 6.345 1.00 0.00 C ATOM 299 NH1 ARG A 19 -0.135 -14.934 7.211 1.00 0.00 N ATOM 300 NH2 ARG A 19 -1.865 -13.937 6.081 1.00 0.00 N ATOM 0 H ARG A 19 2.040 -8.822 6.091 1.00 0.00 H new ATOM 0 HA ARG A 19 4.158 -10.744 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.417 -10.810 5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.802 -10.707 3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.234 -12.901 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.566 -12.649 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.078 -14.270 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.957 -12.791 6.937 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.078 -12.528 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.862 -15.008 7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.798 -15.557 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.203 -13.243 5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.524 -14.562 6.544 1.00 0.00 H new ATOM 314 N LEU A 20 3.867 -8.403 3.595 1.00 0.00 N ATOM 315 CA LEU A 20 4.434 -7.845 2.368 1.00 0.00 C ATOM 316 C LEU A 20 5.948 -7.702 2.453 1.00 0.00 C ATOM 317 O LEU A 20 6.665 -8.091 1.532 1.00 0.00 O ATOM 318 CB LEU A 20 3.809 -6.486 2.059 1.00 0.00 C ATOM 319 CG LEU A 20 2.298 -6.498 1.814 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.862 -5.181 1.191 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.880 -7.669 0.920 1.00 0.00 C ATOM 0 H LEU A 20 3.313 -7.745 4.143 1.00 0.00 H new ATOM 0 HA LEU A 20 4.205 -8.544 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.020 -5.811 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.299 -6.071 1.178 1.00 0.00 H new ATOM 0 HG LEU A 20 1.804 -6.624 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.786 -5.198 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.109 -4.360 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.378 -5.039 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.801 -7.644 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.383 -7.589 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.158 -8.609 1.398 1.00 0.00 H new ATOM 333 N CYS A 21 6.437 -7.139 3.553 1.00 0.00 N ATOM 334 CA CYS A 21 7.875 -6.953 3.728 1.00 0.00 C ATOM 335 C CYS A 21 8.605 -8.276 3.546 1.00 0.00 C ATOM 336 O CYS A 21 9.694 -8.329 2.976 1.00 0.00 O ATOM 337 CB CYS A 21 8.185 -6.376 5.110 1.00 0.00 C ATOM 338 SG CYS A 21 7.713 -7.457 6.479 1.00 0.00 S ATOM 0 H CYS A 21 5.866 -6.806 4.330 1.00 0.00 H new ATOM 0 HA CYS A 21 8.219 -6.248 2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.253 -6.169 5.175 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.669 -5.422 5.219 1.00 0.00 H new ATOM 0 HG CYS A 21 6.433 -7.680 6.435 1.00 0.00 H new ATOM 344 N LYS A 22 7.990 -9.342 4.026 1.00 0.00 N ATOM 345 CA LYS A 22 8.570 -10.672 3.910 1.00 0.00 C ATOM 346 C LYS A 22 8.284 -11.263 2.528 1.00 0.00 C ATOM 347 O LYS A 22 8.966 -12.187 2.084 1.00 0.00 O ATOM 348 CB LYS A 22 8.017 -11.591 5.004 1.00 0.00 C ATOM 349 CG LYS A 22 8.181 -11.033 6.414 1.00 0.00 C ATOM 350 CD LYS A 22 6.865 -11.075 7.193 1.00 0.00 C ATOM 351 CE LYS A 22 6.407 -12.495 7.521 1.00 0.00 C ATOM 352 NZ LYS A 22 4.931 -12.566 7.707 1.00 0.00 N ATOM 0 H LYS A 22 7.088 -9.315 4.501 1.00 0.00 H new ATOM 0 HA LYS A 22 9.650 -10.589 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.959 -11.771 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.520 -12.556 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.939 -11.607 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.540 -10.005 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.981 -10.514 8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.090 -10.575 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.706 -13.169 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.905 -12.838 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.717 -13.044 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.537 -11.604 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.507 -13.100 6.921 1.00 0.00 H new ATOM 366 N HIS A 23 7.262 -10.728 1.858 1.00 0.00 N ATOM 367 CA HIS A 23 6.872 -11.203 0.535 1.00 0.00 C ATOM 368 C HIS A 23 7.686 -10.547 -0.579 1.00 0.00 C ATOM 369 O HIS A 23 8.348 -11.237 -1.354 1.00 0.00 O ATOM 370 CB HIS A 23 5.382 -10.952 0.298 1.00 0.00 C ATOM 371 CG HIS A 23 4.810 -11.766 -0.821 1.00 0.00 C ATOM 372 ND1 HIS A 23 3.691 -12.560 -0.677 1.00 0.00 N ATOM 373 CD2 HIS A 23 5.207 -11.906 -2.107 1.00 0.00 C ATOM 374 CE1 HIS A 23 3.427 -13.155 -1.828 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.331 -12.774 -2.711 1.00 0.00 N ATOM 0 H HIS A 23 6.689 -9.963 2.214 1.00 0.00 H new ATOM 0 HA HIS A 23 7.075 -12.274 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.834 -11.173 1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.230 -9.894 0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.055 -11.425 -2.572 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.610 -13.837 -2.014 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.372 -13.076 -3.685 1.00 0.00 H new ATOM 384 N TRP A 24 7.619 -9.217 -0.678 1.00 0.00 N ATOM 385 CA TRP A 24 8.341 -8.507 -1.726 1.00 0.00 C ATOM 386 C TRP A 24 9.754 -8.119 -1.286 1.00 0.00 C ATOM 387 O TRP A 24 10.564 -7.696 -2.109 1.00 0.00 O ATOM 388 CB TRP A 24 7.560 -7.263 -2.148 1.00 0.00 C ATOM 389 CG TRP A 24 6.239 -7.578 -2.780 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.018 -7.579 -2.170 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.007 -7.941 -4.147 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.040 -7.919 -3.073 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.621 -8.146 -4.294 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.835 -8.111 -5.260 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.047 -8.513 -5.508 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.264 -8.474 -6.465 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.882 -8.672 -6.581 1.00 0.00 C ATOM 0 H TRP A 24 7.078 -8.620 -0.052 1.00 0.00 H new ATOM 0 HA TRP A 24 8.437 -9.182 -2.576 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.396 -6.632 -1.274 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.162 -6.685 -2.850 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.846 -7.346 -1.129 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.043 -7.991 -2.868 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.902 -7.961 -5.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.982 -8.667 -5.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.894 -8.607 -7.332 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.467 -8.956 -7.537 1.00 0.00 H new ATOM 408 N GLY A 25 10.054 -8.262 0.009 1.00 0.00 N ATOM 409 CA GLY A 25 11.377 -7.915 0.495 1.00 0.00 C ATOM 410 C GLY A 25 12.448 -8.873 0.006 1.00 0.00 C ATOM 411 O GLY A 25 13.077 -9.568 0.804 1.00 0.00 O ATOM 0 H GLY A 25 9.409 -8.608 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.625 -6.904 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.370 -7.909 1.585 1.00 0.00 H new ATOM 415 N HIS A 26 12.654 -8.910 -1.304 1.00 0.00 N ATOM 416 CA HIS A 26 13.656 -9.790 -1.893 1.00 0.00 C ATOM 417 C HIS A 26 14.825 -8.982 -2.445 1.00 0.00 C ATOM 418 O HIS A 26 15.962 -9.455 -2.466 1.00 0.00 O ATOM 419 CB HIS A 26 13.033 -10.636 -3.005 1.00 0.00 C ATOM 420 CG HIS A 26 12.301 -11.841 -2.501 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.336 -13.064 -3.138 1.00 0.00 N ATOM 422 CD2 HIS A 26 11.512 -12.008 -1.413 1.00 0.00 C ATOM 423 CE1 HIS A 26 11.600 -13.930 -2.464 1.00 0.00 C ATOM 424 NE2 HIS A 26 11.090 -13.314 -1.414 1.00 0.00 N ATOM 0 H HIS A 26 12.142 -8.342 -1.979 1.00 0.00 H new ATOM 0 HA HIS A 26 14.030 -10.452 -1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.344 -10.016 -3.579 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.818 -10.958 -3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.262 -11.254 -0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.443 -14.965 -2.727 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.480 -13.740 -0.716 1.00 0.00 H new ATOM 433 N LYS A 27 14.539 -7.765 -2.893 1.00 0.00 N ATOM 434 CA LYS A 27 15.573 -6.895 -3.449 1.00 0.00 C ATOM 435 C LYS A 27 15.249 -5.424 -3.177 1.00 0.00 C ATOM 436 O LYS A 27 15.754 -4.530 -3.855 1.00 0.00 O ATOM 437 CB LYS A 27 15.703 -7.148 -4.959 1.00 0.00 C ATOM 438 CG LYS A 27 16.654 -6.203 -5.689 1.00 0.00 C ATOM 439 CD LYS A 27 15.891 -5.172 -6.508 1.00 0.00 C ATOM 440 CE LYS A 27 15.572 -5.689 -7.902 1.00 0.00 C ATOM 441 NZ LYS A 27 16.310 -4.941 -8.955 1.00 0.00 N ATOM 0 H LYS A 27 13.604 -7.358 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 27 16.523 -7.124 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.042 -8.172 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.715 -7.068 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.292 -5.696 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.309 -6.778 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.965 -4.912 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.481 -4.258 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.826 -6.747 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.500 -5.607 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.064 -5.325 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.049 -3.935 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.333 -5.040 -8.798 1.00 0.00 H new ATOM 455 N PHE A 28 14.403 -5.176 -2.180 1.00 0.00 N ATOM 456 CA PHE A 28 14.025 -3.815 -1.833 1.00 0.00 C ATOM 457 C PHE A 28 13.943 -3.640 -0.325 1.00 0.00 C ATOM 458 O PHE A 28 13.768 -4.607 0.417 1.00 0.00 O ATOM 459 CB PHE A 28 12.688 -3.457 -2.479 1.00 0.00 C ATOM 460 CG PHE A 28 12.800 -3.150 -3.944 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.202 -1.895 -4.371 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.509 -4.116 -4.892 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.310 -1.609 -5.718 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.614 -3.836 -6.241 1.00 0.00 C ATOM 465 CZ PHE A 28 13.015 -2.581 -6.655 1.00 0.00 C ATOM 0 H PHE A 28 13.970 -5.897 -1.603 1.00 0.00 H new ATOM 0 HA PHE A 28 14.794 -3.142 -2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.992 -4.285 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.264 -2.594 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.434 -1.132 -3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.196 -5.100 -4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.625 -0.627 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.383 -4.598 -6.971 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.098 -2.360 -7.709 1.00 0.00 H new ATOM 475 N GLU A 29 14.069 -2.399 0.123 1.00 0.00 N ATOM 476 CA GLU A 29 14.007 -2.096 1.547 1.00 0.00 C ATOM 477 C GLU A 29 12.562 -2.099 2.029 1.00 0.00 C ATOM 478 O GLU A 29 11.783 -1.208 1.690 1.00 0.00 O ATOM 479 CB GLU A 29 14.651 -0.741 1.836 1.00 0.00 C ATOM 480 CG GLU A 29 14.236 0.346 0.863 1.00 0.00 C ATOM 481 CD GLU A 29 15.316 0.666 -0.152 1.00 0.00 C ATOM 482 OE1 GLU A 29 16.208 -0.183 -0.356 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.268 1.767 -0.742 1.00 0.00 O ATOM 0 H GLU A 29 14.214 -1.587 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 29 14.559 -2.867 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.389 -0.431 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.735 -0.849 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.332 0.034 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.986 1.250 1.419 1.00 0.00 H new ATOM 490 N VAL A 30 12.208 -3.109 2.813 1.00 0.00 N ATOM 491 CA VAL A 30 10.851 -3.229 3.331 1.00 0.00 C ATOM 492 C VAL A 30 10.830 -3.204 4.857 1.00 0.00 C ATOM 493 O VAL A 30 11.381 -4.091 5.509 1.00 0.00 O ATOM 494 CB VAL A 30 10.165 -4.532 2.847 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.239 -4.269 1.670 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.195 -5.590 2.485 1.00 0.00 C ATOM 0 H VAL A 30 12.840 -3.855 3.104 1.00 0.00 H new ATOM 0 HA VAL A 30 10.301 -2.370 2.946 1.00 0.00 H new ATOM 0 HB VAL A 30 9.562 -4.907 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.775 -5.204 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.465 -3.561 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.813 -3.853 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.686 -6.493 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.836 -5.216 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.803 -5.820 3.360 1.00 0.00 H new ATOM 506 N GLU A 31 10.172 -2.194 5.423 1.00 0.00 N ATOM 507 CA GLU A 31 10.064 -2.072 6.869 1.00 0.00 C ATOM 508 C GLU A 31 8.781 -2.741 7.350 1.00 0.00 C ATOM 509 O GLU A 31 7.823 -2.878 6.588 1.00 0.00 O ATOM 510 CB GLU A 31 10.081 -0.599 7.285 1.00 0.00 C ATOM 511 CG GLU A 31 11.086 -0.290 8.383 1.00 0.00 C ATOM 512 CD GLU A 31 11.465 1.177 8.431 1.00 0.00 C ATOM 513 OE1 GLU A 31 10.552 2.028 8.372 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.673 1.476 8.527 1.00 0.00 O ATOM 0 H GLU A 31 9.708 -1.451 4.900 1.00 0.00 H new ATOM 0 HA GLU A 31 10.918 -2.569 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.308 0.014 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.085 -0.314 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.669 -0.585 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.984 -0.888 8.228 1.00 0.00 H new ATOM 521 N LEU A 32 8.765 -3.166 8.606 1.00 0.00 N ATOM 522 CA LEU A 32 7.590 -3.829 9.162 1.00 0.00 C ATOM 523 C LEU A 32 7.296 -3.339 10.572 1.00 0.00 C ATOM 524 O LEU A 32 8.003 -3.674 11.523 1.00 0.00 O ATOM 525 CB LEU A 32 7.802 -5.350 9.164 1.00 0.00 C ATOM 526 CG LEU A 32 6.547 -6.226 9.353 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.951 -7.627 9.788 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.588 -5.618 10.371 1.00 0.00 C ATOM 0 H LEU A 32 9.545 -3.066 9.256 1.00 0.00 H new ATOM 0 HA LEU A 32 6.732 -3.584 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.272 -5.629 8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.509 -5.594 9.957 1.00 0.00 H new ATOM 0 HG LEU A 32 6.028 -6.279 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.058 -8.239 9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.589 -8.075 9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.495 -7.572 10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.715 -6.262 10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.091 -5.524 11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.272 -4.632 10.029 1.00 0.00 H new ATOM 540 N THR A 33 6.225 -2.568 10.699 1.00 0.00 N ATOM 541 CA THR A 33 5.798 -2.050 11.991 1.00 0.00 C ATOM 542 C THR A 33 4.323 -2.365 12.180 1.00 0.00 C ATOM 543 O THR A 33 3.629 -2.691 11.217 1.00 0.00 O ATOM 544 CB THR A 33 6.029 -0.540 12.066 1.00 0.00 C ATOM 545 OG1 THR A 33 5.905 0.051 10.785 1.00 0.00 O ATOM 546 CG2 THR A 33 7.391 -0.170 12.613 1.00 0.00 C ATOM 0 H THR A 33 5.633 -2.286 9.918 1.00 0.00 H new ATOM 0 HA THR A 33 6.381 -2.520 12.783 1.00 0.00 H new ATOM 0 HB THR A 33 5.267 -0.165 12.749 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.055 1.017 10.855 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.490 0.915 12.640 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.499 -0.569 13.622 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.167 -0.589 11.972 1.00 0.00 H new ATOM 554 N PRO A 34 3.807 -2.269 13.410 1.00 0.00 N ATOM 555 CA PRO A 34 2.400 -2.544 13.677 1.00 0.00 C ATOM 556 C PRO A 34 1.511 -1.392 13.246 1.00 0.00 C ATOM 557 O PRO A 34 0.650 -0.936 13.996 1.00 0.00 O ATOM 558 CB PRO A 34 2.360 -2.720 15.186 1.00 0.00 C ATOM 559 CG PRO A 34 3.487 -1.889 15.701 1.00 0.00 C ATOM 560 CD PRO A 34 4.542 -1.876 14.625 1.00 0.00 C ATOM 0 HA PRO A 34 2.032 -3.411 13.129 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.406 -2.390 15.597 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.482 -3.767 15.465 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.151 -0.877 15.925 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.884 -2.306 16.627 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.993 -0.889 14.519 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.350 -2.573 14.848 1.00 0.00 H new ATOM 568 N GLU A 35 1.743 -0.919 12.029 1.00 0.00 N ATOM 569 CA GLU A 35 0.983 0.192 11.482 1.00 0.00 C ATOM 570 C GLU A 35 0.978 0.178 9.950 1.00 0.00 C ATOM 571 O GLU A 35 -0.048 0.465 9.334 1.00 0.00 O ATOM 572 CB GLU A 35 1.552 1.524 11.992 1.00 0.00 C ATOM 573 CG GLU A 35 1.524 1.665 13.505 1.00 0.00 C ATOM 574 CD GLU A 35 0.115 1.721 14.060 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.758 2.329 13.407 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.116 1.155 15.150 1.00 0.00 O ATOM 0 H GLU A 35 2.455 -1.291 11.401 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.048 0.084 11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.581 1.625 11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.985 2.343 11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.054 0.825 13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.060 2.570 13.792 1.00 0.00 H new ATOM 583 N ARG A 36 2.120 -0.142 9.331 1.00 0.00 N ATOM 584 CA ARG A 36 2.194 -0.166 7.876 1.00 0.00 C ATOM 585 C ARG A 36 3.491 -0.778 7.364 1.00 0.00 C ATOM 586 O ARG A 36 4.444 -0.992 8.113 1.00 0.00 O ATOM 587 CB ARG A 36 2.063 1.252 7.320 1.00 0.00 C ATOM 588 CG ARG A 36 3.093 2.215 7.886 1.00 0.00 C ATOM 589 CD ARG A 36 2.501 3.596 8.110 1.00 0.00 C ATOM 590 NE ARG A 36 2.126 3.811 9.504 1.00 0.00 N ATOM 591 CZ ARG A 36 1.803 5.000 10.009 1.00 0.00 C ATOM 592 NH1 ARG A 36 1.809 6.080 9.238 1.00 0.00 N ATOM 593 NH2 ARG A 36 1.473 5.109 11.289 1.00 0.00 N ATOM 0 H ARG A 36 2.988 -0.383 9.809 1.00 0.00 H new ATOM 0 HA ARG A 36 1.370 -0.791 7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.162 1.220 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.064 1.630 7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.477 1.826 8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.939 2.287 7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.224 4.354 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.624 3.722 7.475 1.00 0.00 H new ATOM 0 HE ARG A 36 2.110 3.004 10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.062 6.002 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.561 6.988 9.630 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.467 4.282 11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.226 6.020 11.676 1.00 0.00 H new ATOM 607 N GLY A 37 3.509 -1.026 6.057 1.00 0.00 N ATOM 608 CA GLY A 37 4.679 -1.577 5.403 1.00 0.00 C ATOM 609 C GLY A 37 5.339 -0.528 4.506 1.00 0.00 C ATOM 610 O GLY A 37 4.700 -0.023 3.582 1.00 0.00 O ATOM 0 H GLY A 37 2.721 -0.851 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.392 -1.923 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.395 -2.445 4.808 1.00 0.00 H new ATOM 614 N PHE A 38 6.597 -0.181 4.776 1.00 0.00 N ATOM 615 CA PHE A 38 7.302 0.827 3.990 1.00 0.00 C ATOM 616 C PHE A 38 8.219 0.161 2.975 1.00 0.00 C ATOM 617 O PHE A 38 9.101 -0.616 3.335 1.00 0.00 O ATOM 618 CB PHE A 38 8.103 1.720 4.940 1.00 0.00 C ATOM 619 CG PHE A 38 8.886 2.826 4.281 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.240 3.891 3.669 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.274 2.821 4.312 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.961 4.923 3.102 1.00 0.00 C ATOM 623 CE2 PHE A 38 10.998 3.847 3.739 1.00 0.00 C ATOM 624 CZ PHE A 38 10.342 4.900 3.136 1.00 0.00 C ATOM 0 H PHE A 38 7.148 -0.584 5.534 1.00 0.00 H new ATOM 0 HA PHE A 38 6.584 1.435 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.416 2.164 5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.795 1.094 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.161 3.913 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.794 2.004 4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.446 5.748 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.078 3.825 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.907 5.706 2.691 1.00 0.00 H new ATOM 634 N ILE A 39 8.005 0.477 1.706 1.00 0.00 N ATOM 635 CA ILE A 39 8.818 -0.087 0.630 1.00 0.00 C ATOM 636 C ILE A 39 9.240 1.019 -0.332 1.00 0.00 C ATOM 637 O ILE A 39 8.435 1.478 -1.143 1.00 0.00 O ATOM 638 CB ILE A 39 8.063 -1.178 -0.176 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.129 -2.003 0.736 1.00 0.00 C ATOM 640 CG2 ILE A 39 9.065 -2.080 -0.895 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.697 -3.338 0.153 1.00 0.00 C ATOM 0 H ILE A 39 7.277 1.120 1.393 1.00 0.00 H new ATOM 0 HA ILE A 39 9.686 -0.550 1.099 1.00 0.00 H new ATOM 0 HB ILE A 39 7.437 -0.687 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.634 -2.182 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.240 -1.411 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.528 -2.843 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.668 -1.482 -1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.714 -2.559 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.044 -3.849 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.161 -3.171 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.576 -3.953 -0.039 1.00 0.00 H new ATOM 653 N ASP A 40 10.495 1.455 -0.245 1.00 0.00 N ATOM 654 CA ASP A 40 10.977 2.514 -1.121 1.00 0.00 C ATOM 655 C ASP A 40 11.880 1.960 -2.211 1.00 0.00 C ATOM 656 O ASP A 40 12.811 1.199 -1.946 1.00 0.00 O ATOM 657 CB ASP A 40 11.715 3.598 -0.329 1.00 0.00 C ATOM 658 CG ASP A 40 12.555 3.041 0.803 1.00 0.00 C ATOM 659 OD1 ASP A 40 12.006 2.297 1.642 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.764 3.353 0.851 1.00 0.00 O ATOM 0 H ASP A 40 11.186 1.096 0.414 1.00 0.00 H new ATOM 0 HA ASP A 40 10.103 2.964 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.357 4.161 -1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.988 4.300 0.078 1.00 0.00 H new ATOM 665 N PHE A 41 11.592 2.361 -3.439 1.00 0.00 N ATOM 666 CA PHE A 41 12.367 1.929 -4.596 1.00 0.00 C ATOM 667 C PHE A 41 13.405 2.988 -4.968 1.00 0.00 C ATOM 668 O PHE A 41 13.989 2.945 -6.051 1.00 0.00 O ATOM 669 CB PHE A 41 11.434 1.693 -5.788 1.00 0.00 C ATOM 670 CG PHE A 41 10.797 0.328 -5.848 1.00 0.00 C ATOM 671 CD1 PHE A 41 10.640 -0.455 -4.709 1.00 0.00 C ATOM 672 CD2 PHE A 41 10.346 -0.169 -7.060 1.00 0.00 C ATOM 673 CE1 PHE A 41 10.049 -1.703 -4.786 1.00 0.00 C ATOM 674 CE2 PHE A 41 9.755 -1.415 -7.141 1.00 0.00 C ATOM 675 CZ PHE A 41 9.607 -2.182 -6.003 1.00 0.00 C ATOM 0 H PHE A 41 10.821 2.990 -3.663 1.00 0.00 H new ATOM 0 HA PHE A 41 12.880 1.001 -4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.644 2.444 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.998 1.853 -6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.983 -0.084 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.458 0.426 -7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.933 -2.302 -3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.409 -1.789 -8.094 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.146 -3.157 -6.065 1.00 0.00 H new ATOM 685 N GLY A 42 13.614 3.948 -4.069 1.00 0.00 N ATOM 686 CA GLY A 42 14.561 5.016 -4.322 1.00 0.00 C ATOM 687 C GLY A 42 13.854 6.322 -4.629 1.00 0.00 C ATOM 688 O GLY A 42 13.439 7.036 -3.718 1.00 0.00 O ATOM 0 H GLY A 42 13.141 4.003 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.206 5.145 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.204 4.743 -5.159 1.00 0.00 H new ATOM 692 N ASP A 43 13.685 6.618 -5.913 1.00 0.00 N ATOM 693 CA ASP A 43 12.986 7.828 -6.331 1.00 0.00 C ATOM 694 C ASP A 43 11.492 7.536 -6.418 1.00 0.00 C ATOM 695 O ASP A 43 10.856 7.758 -7.448 1.00 0.00 O ATOM 696 CB ASP A 43 13.513 8.313 -7.684 1.00 0.00 C ATOM 697 CG ASP A 43 15.028 8.343 -7.738 1.00 0.00 C ATOM 698 OD1 ASP A 43 15.648 7.270 -7.587 1.00 0.00 O ATOM 699 OD2 ASP A 43 15.593 9.440 -7.931 1.00 0.00 O ATOM 0 H ASP A 43 14.022 6.038 -6.681 1.00 0.00 H new ATOM 0 HA ASP A 43 13.161 8.616 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.137 7.661 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.125 9.312 -7.885 1.00 0.00 H new ATOM 704 N SER A 44 10.955 7.008 -5.320 1.00 0.00 N ATOM 705 CA SER A 44 9.546 6.632 -5.225 1.00 0.00 C ATOM 706 C SER A 44 9.350 5.727 -4.003 1.00 0.00 C ATOM 707 O SER A 44 10.314 5.134 -3.519 1.00 0.00 O ATOM 708 CB SER A 44 9.110 5.917 -6.510 1.00 0.00 C ATOM 709 OG SER A 44 10.198 5.228 -7.103 1.00 0.00 O ATOM 0 H SER A 44 11.487 6.828 -4.468 1.00 0.00 H new ATOM 0 HA SER A 44 8.930 7.524 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.309 5.213 -6.285 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.707 6.643 -7.216 1.00 0.00 H new ATOM 0 HG SER A 44 9.895 4.779 -7.920 1.00 0.00 H new ATOM 715 N ASN A 45 8.123 5.628 -3.484 1.00 0.00 N ATOM 716 CA ASN A 45 7.873 4.801 -2.305 1.00 0.00 C ATOM 717 C ASN A 45 6.431 4.303 -2.291 1.00 0.00 C ATOM 718 O ASN A 45 5.596 4.786 -3.058 1.00 0.00 O ATOM 719 CB ASN A 45 8.163 5.595 -1.019 1.00 0.00 C ATOM 720 CG ASN A 45 9.368 6.514 -1.142 1.00 0.00 C ATOM 721 OD1 ASN A 45 10.404 6.282 -0.520 1.00 0.00 O ATOM 722 ND2 ASN A 45 9.238 7.564 -1.944 1.00 0.00 N ATOM 0 H ASN A 45 7.300 6.103 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 45 8.540 3.940 -2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.286 6.189 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.329 4.897 -0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.015 8.215 -2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.362 7.720 -2.442 1.00 0.00 H new ATOM 729 N CYS A 46 6.135 3.342 -1.418 1.00 0.00 N ATOM 730 CA CYS A 46 4.790 2.799 -1.322 1.00 0.00 C ATOM 731 C CYS A 46 4.519 2.274 0.084 1.00 0.00 C ATOM 732 O CYS A 46 4.975 1.191 0.454 1.00 0.00 O ATOM 733 CB CYS A 46 4.601 1.682 -2.347 1.00 0.00 C ATOM 734 SG CYS A 46 2.970 0.906 -2.307 1.00 0.00 S ATOM 0 H CYS A 46 6.807 2.928 -0.772 1.00 0.00 H new ATOM 0 HA CYS A 46 4.079 3.598 -1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.774 2.087 -3.344 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.359 0.917 -2.178 1.00 0.00 H new ATOM 0 HG CYS A 46 2.294 1.263 -3.358 1.00 0.00 H new ATOM 740 N GLU A 47 3.774 3.049 0.863 1.00 0.00 N ATOM 741 CA GLU A 47 3.437 2.672 2.228 1.00 0.00 C ATOM 742 C GLU A 47 2.033 2.071 2.269 1.00 0.00 C ATOM 743 O GLU A 47 1.202 2.367 1.412 1.00 0.00 O ATOM 744 CB GLU A 47 3.532 3.908 3.134 1.00 0.00 C ATOM 745 CG GLU A 47 3.967 3.632 4.571 1.00 0.00 C ATOM 746 CD GLU A 47 4.690 4.813 5.190 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.300 5.965 4.903 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.647 4.587 5.959 1.00 0.00 O ATOM 0 H GLU A 47 3.390 3.947 0.569 1.00 0.00 H new ATOM 0 HA GLU A 47 4.139 1.920 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.235 4.612 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.559 4.399 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.092 3.389 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.619 2.759 4.590 1.00 0.00 H new ATOM 755 N LEU A 48 1.773 1.221 3.258 1.00 0.00 N ATOM 756 CA LEU A 48 0.460 0.583 3.378 1.00 0.00 C ATOM 757 C LEU A 48 0.042 0.472 4.840 1.00 0.00 C ATOM 758 O LEU A 48 0.648 -0.267 5.611 1.00 0.00 O ATOM 759 CB LEU A 48 0.472 -0.808 2.708 1.00 0.00 C ATOM 760 CG LEU A 48 -0.851 -1.590 2.747 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.041 -0.685 2.461 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.818 -2.748 1.757 1.00 0.00 C ATOM 0 H LEU A 48 2.443 0.958 3.981 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.271 1.207 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.766 -0.684 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.242 -1.413 3.187 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.968 -1.991 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.960 -1.270 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.085 0.106 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.931 -0.241 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.763 -3.290 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.666 -2.361 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.001 -3.423 2.013 1.00 0.00 H new ATOM 774 N LEU A 49 -1.014 1.198 5.209 1.00 0.00 N ATOM 775 CA LEU A 49 -1.523 1.165 6.582 1.00 0.00 C ATOM 776 C LEU A 49 -2.542 0.053 6.707 1.00 0.00 C ATOM 777 O LEU A 49 -3.425 -0.075 5.863 1.00 0.00 O ATOM 778 CB LEU A 49 -2.155 2.503 6.981 1.00 0.00 C ATOM 779 CG LEU A 49 -2.263 2.740 8.491 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.242 3.769 8.947 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.672 3.185 8.861 1.00 0.00 C ATOM 0 H LEU A 49 -1.532 1.813 4.581 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.686 0.983 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.569 3.310 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.153 2.561 6.546 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.052 1.800 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.335 3.923 10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.238 3.412 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.419 4.712 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.731 3.349 9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.910 4.112 8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.385 2.413 8.572 1.00 0.00 H new ATOM 793 N ALA A 50 -2.406 -0.774 7.732 1.00 0.00 N ATOM 794 CA ALA A 50 -3.320 -1.890 7.898 1.00 0.00 C ATOM 795 C ALA A 50 -3.669 -2.170 9.351 1.00 0.00 C ATOM 796 O ALA A 50 -2.828 -2.599 10.140 1.00 0.00 O ATOM 797 CB ALA A 50 -2.729 -3.120 7.241 1.00 0.00 C ATOM 0 H ALA A 50 -1.685 -0.696 8.449 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.258 -1.620 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.412 -3.961 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.576 -2.927 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.773 -3.358 7.708 1.00 0.00 H new ATOM 803 N HIS A 51 -4.939 -1.954 9.679 1.00 0.00 N ATOM 804 CA HIS A 51 -5.449 -2.207 11.002 1.00 0.00 C ATOM 805 C HIS A 51 -6.426 -3.390 10.935 1.00 0.00 C ATOM 806 O HIS A 51 -6.862 -3.783 9.855 1.00 0.00 O ATOM 807 CB HIS A 51 -6.118 -0.945 11.574 1.00 0.00 C ATOM 808 CG HIS A 51 -5.749 -0.667 13.001 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.649 -0.186 13.929 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.572 -0.811 13.662 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.043 -0.043 15.095 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.785 -0.415 14.959 1.00 0.00 N ATOM 0 H HIS A 51 -5.637 -1.598 9.026 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.631 -2.464 11.675 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.841 -0.087 10.962 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.200 -1.052 11.501 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.642 -1.170 13.246 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.500 0.317 16.005 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.083 -0.409 15.699 1.00 0.00 H new ATOM 821 N PRO A 52 -6.758 -3.984 12.083 1.00 0.00 N ATOM 822 CA PRO A 52 -7.655 -5.147 12.167 1.00 0.00 C ATOM 823 C PRO A 52 -8.936 -5.025 11.341 1.00 0.00 C ATOM 824 O PRO A 52 -9.577 -6.036 11.054 1.00 0.00 O ATOM 825 CB PRO A 52 -7.981 -5.217 13.656 1.00 0.00 C ATOM 826 CG PRO A 52 -6.768 -4.664 14.316 1.00 0.00 C ATOM 827 CD PRO A 52 -6.263 -3.582 13.401 1.00 0.00 C ATOM 0 HA PRO A 52 -7.178 -6.038 11.758 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.869 -4.633 13.898 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.177 -6.241 13.974 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.007 -4.263 15.301 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.014 -5.438 14.461 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.644 -2.603 13.690 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.175 -3.519 13.418 1.00 0.00 H new ATOM 835 N ASP A 53 -9.329 -3.808 10.968 1.00 0.00 N ATOM 836 CA ASP A 53 -10.558 -3.643 10.192 1.00 0.00 C ATOM 837 C ASP A 53 -10.461 -2.564 9.115 1.00 0.00 C ATOM 838 O ASP A 53 -11.429 -2.343 8.386 1.00 0.00 O ATOM 839 CB ASP A 53 -11.741 -3.346 11.119 1.00 0.00 C ATOM 840 CG ASP A 53 -11.738 -4.217 12.360 1.00 0.00 C ATOM 841 OD1 ASP A 53 -11.010 -3.883 13.318 1.00 0.00 O ATOM 842 OD2 ASP A 53 -12.466 -5.232 12.375 1.00 0.00 O ATOM 0 H ASP A 53 -8.831 -2.944 11.182 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.716 -4.589 9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.712 -2.297 11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.673 -3.498 10.574 1.00 0.00 H new ATOM 847 N HIS A 54 -9.313 -1.912 8.975 1.00 0.00 N ATOM 848 CA HIS A 54 -9.178 -0.902 7.930 1.00 0.00 C ATOM 849 C HIS A 54 -7.765 -0.872 7.352 1.00 0.00 C ATOM 850 O HIS A 54 -6.812 -1.302 8.003 1.00 0.00 O ATOM 851 CB HIS A 54 -9.586 0.484 8.429 1.00 0.00 C ATOM 852 CG HIS A 54 -8.806 0.969 9.610 1.00 0.00 C ATOM 853 ND1 HIS A 54 -9.250 0.843 10.910 1.00 0.00 N ATOM 854 CD2 HIS A 54 -7.610 1.600 9.683 1.00 0.00 C ATOM 855 CE1 HIS A 54 -8.363 1.377 11.730 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.358 1.842 11.010 1.00 0.00 N ATOM 0 H HIS A 54 -8.484 -2.057 9.552 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.861 -1.185 7.129 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.471 1.199 7.614 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.644 0.466 8.690 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.973 1.864 8.852 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.445 1.425 12.806 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.529 2.306 11.381 1.00 0.00 H new ATOM 865 N VAL A 55 -7.633 -0.370 6.122 1.00 0.00 N ATOM 866 CA VAL A 55 -6.341 -0.298 5.463 1.00 0.00 C ATOM 867 C VAL A 55 -6.201 1.013 4.693 1.00 0.00 C ATOM 868 O VAL A 55 -7.139 1.466 4.037 1.00 0.00 O ATOM 869 CB VAL A 55 -6.139 -1.502 4.511 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.672 -1.215 3.112 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.677 -1.916 4.454 1.00 0.00 C ATOM 0 H VAL A 55 -8.410 -0.009 5.568 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.569 -0.334 6.232 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.715 -2.333 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.511 -2.085 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.739 -0.998 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.148 -0.356 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.565 -2.764 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.076 -1.081 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.340 -2.200 5.451 1.00 0.00 H new ATOM 881 N LEU A 56 -5.024 1.611 4.778 1.00 0.00 N ATOM 882 CA LEU A 56 -4.751 2.868 4.086 1.00 0.00 C ATOM 883 C LEU A 56 -3.592 2.681 3.118 1.00 0.00 C ATOM 884 O LEU A 56 -2.654 1.936 3.395 1.00 0.00 O ATOM 885 CB LEU A 56 -4.424 3.986 5.092 1.00 0.00 C ATOM 886 CG LEU A 56 -5.445 5.128 5.201 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.029 6.107 6.290 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.609 5.857 3.872 1.00 0.00 C ATOM 0 H LEU A 56 -4.239 1.249 5.319 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.642 3.159 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.309 3.535 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.459 4.415 4.823 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.408 4.690 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.762 6.911 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.975 5.586 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.052 6.526 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.339 6.659 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.651 6.278 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.955 5.156 3.113 1.00 0.00 H new ATOM 900 N MET A 57 -3.663 3.354 1.981 1.00 0.00 N ATOM 901 CA MET A 57 -2.614 3.244 0.975 1.00 0.00 C ATOM 902 C MET A 57 -2.072 4.619 0.598 1.00 0.00 C ATOM 903 O MET A 57 -2.782 5.435 0.014 1.00 0.00 O ATOM 904 CB MET A 57 -3.155 2.507 -0.253 1.00 0.00 C ATOM 905 CG MET A 57 -4.023 1.315 0.118 1.00 0.00 C ATOM 906 SD MET A 57 -4.642 0.430 -1.328 1.00 0.00 S ATOM 907 CE MET A 57 -6.359 0.936 -1.330 1.00 0.00 C ATOM 0 H MET A 57 -4.430 3.979 1.731 1.00 0.00 H new ATOM 0 HA MET A 57 -1.785 2.671 1.390 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.736 3.200 -0.862 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.320 2.167 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.446 0.630 0.739 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.866 1.657 0.718 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.987 0.093 -1.042 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.499 1.752 -0.621 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.638 1.272 -2.329 1.00 0.00 H new ATOM 917 N ILE A 58 -0.803 4.871 0.934 1.00 0.00 N ATOM 918 CA ILE A 58 -0.172 6.141 0.628 1.00 0.00 C ATOM 919 C ILE A 58 1.106 5.919 -0.167 1.00 0.00 C ATOM 920 O ILE A 58 1.893 5.025 0.144 1.00 0.00 O ATOM 921 CB ILE A 58 0.173 6.929 1.910 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.067 7.082 2.809 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.760 8.282 1.542 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.368 8.512 3.222 1.00 0.00 C ATOM 0 H ILE A 58 -0.199 4.206 1.418 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.884 6.720 0.040 1.00 0.00 H new ATOM 0 HB ILE A 58 0.919 6.373 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.933 6.678 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.927 6.479 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.001 8.833 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.666 8.138 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.034 8.847 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.256 8.529 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.521 8.917 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.543 9.118 2.333 1.00 0.00 H new ATOM 936 N LEU A 59 1.313 6.735 -1.190 1.00 0.00 N ATOM 937 CA LEU A 59 2.503 6.619 -2.018 1.00 0.00 C ATOM 938 C LEU A 59 3.312 7.903 -2.005 1.00 0.00 C ATOM 939 O LEU A 59 2.756 8.997 -1.978 1.00 0.00 O ATOM 940 CB LEU A 59 2.131 6.255 -3.466 1.00 0.00 C ATOM 941 CG LEU A 59 1.611 7.393 -4.362 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.378 8.025 -3.756 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.677 8.452 -4.621 1.00 0.00 C ATOM 0 H LEU A 59 0.675 7.482 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 59 3.114 5.820 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.011 5.823 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.371 5.475 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 59 1.349 6.952 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.025 8.827 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.403 7.272 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.622 8.432 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.265 9.235 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.997 8.886 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.532 7.994 -5.117 1.00 0.00 H new ATOM 955 N ASN A 60 4.624 7.762 -2.076 1.00 0.00 N ATOM 956 CA ASN A 60 5.507 8.913 -2.131 1.00 0.00 C ATOM 957 C ASN A 60 6.318 8.820 -3.411 1.00 0.00 C ATOM 958 O ASN A 60 7.249 8.023 -3.508 1.00 0.00 O ATOM 959 CB ASN A 60 6.429 8.957 -0.911 1.00 0.00 C ATOM 960 CG ASN A 60 5.689 8.689 0.385 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.459 8.656 0.415 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.438 8.495 1.464 1.00 0.00 N ATOM 0 H ASN A 60 5.101 6.861 -2.097 1.00 0.00 H new ATOM 0 HA ASN A 60 4.919 9.831 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.222 8.219 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.908 9.934 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.997 8.310 2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.455 8.531 1.392 1.00 0.00 H new ATOM 969 N SER A 61 5.940 9.607 -4.411 1.00 0.00 N ATOM 970 CA SER A 61 6.640 9.549 -5.700 1.00 0.00 C ATOM 971 C SER A 61 6.711 10.912 -6.398 1.00 0.00 C ATOM 972 O SER A 61 5.729 11.654 -6.447 1.00 0.00 O ATOM 973 CB SER A 61 5.956 8.535 -6.619 1.00 0.00 C ATOM 974 OG SER A 61 5.094 7.682 -5.888 1.00 0.00 O ATOM 0 H SER A 61 5.174 10.278 -4.364 1.00 0.00 H new ATOM 0 HA SER A 61 7.664 9.239 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.387 9.061 -7.386 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.710 7.940 -7.134 1.00 0.00 H new ATOM 0 HG SER A 61 5.628 7.069 -5.341 1.00 0.00 H new ATOM 980 N PRO A 62 7.895 11.248 -6.948 1.00 0.00 N ATOM 981 CA PRO A 62 8.140 12.519 -7.652 1.00 0.00 C ATOM 982 C PRO A 62 7.401 12.660 -8.980 1.00 0.00 C ATOM 983 O PRO A 62 7.394 13.741 -9.571 1.00 0.00 O ATOM 984 CB PRO A 62 9.645 12.489 -7.899 1.00 0.00 C ATOM 985 CG PRO A 62 9.995 11.045 -7.924 1.00 0.00 C ATOM 986 CD PRO A 62 9.107 10.412 -6.904 1.00 0.00 C ATOM 0 HA PRO A 62 7.781 13.362 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.901 12.975 -8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.186 13.014 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.829 10.616 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.046 10.890 -7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.889 9.373 -7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.564 10.416 -5.914 1.00 0.00 H new ATOM 994 N ASP A 63 6.784 11.586 -9.460 1.00 0.00 N ATOM 995 CA ASP A 63 6.062 11.649 -10.724 1.00 0.00 C ATOM 996 C ASP A 63 4.742 10.887 -10.628 1.00 0.00 C ATOM 997 O ASP A 63 4.664 9.874 -9.935 1.00 0.00 O ATOM 998 CB ASP A 63 6.918 11.066 -11.851 1.00 0.00 C ATOM 999 CG ASP A 63 7.452 9.687 -11.518 1.00 0.00 C ATOM 1000 OD1 ASP A 63 8.102 9.541 -10.461 1.00 0.00 O ATOM 1001 OD2 ASP A 63 7.220 8.753 -12.313 1.00 0.00 O ATOM 0 H ASP A 63 6.769 10.675 -9.001 1.00 0.00 H new ATOM 0 HA ASP A 63 5.846 12.695 -10.944 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.324 11.012 -12.764 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.753 11.737 -12.053 1.00 0.00 H new ATOM 1006 N GLU A 64 3.702 11.365 -11.315 1.00 0.00 N ATOM 1007 CA GLU A 64 2.403 10.670 -11.259 1.00 0.00 C ATOM 1008 C GLU A 64 2.531 9.231 -11.755 1.00 0.00 C ATOM 1009 O GLU A 64 2.000 8.320 -11.127 1.00 0.00 O ATOM 1010 CB GLU A 64 1.296 11.404 -12.028 1.00 0.00 C ATOM 1011 CG GLU A 64 0.527 12.375 -11.149 1.00 0.00 C ATOM 1012 CD GLU A 64 1.141 13.762 -11.133 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.908 14.082 -12.064 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.855 14.526 -10.188 1.00 0.00 O ATOM 0 H GLU A 64 3.724 12.201 -11.899 1.00 0.00 H new ATOM 0 HA GLU A 64 2.107 10.661 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.737 11.946 -12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.605 10.674 -12.450 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.502 12.442 -11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.490 11.987 -10.131 1.00 0.00 H new ATOM 1021 N ASP A 65 3.254 9.012 -12.860 1.00 0.00 N ATOM 1022 CA ASP A 65 3.446 7.655 -13.370 1.00 0.00 C ATOM 1023 C ASP A 65 3.856 6.750 -12.218 1.00 0.00 C ATOM 1024 O ASP A 65 3.203 5.749 -11.928 1.00 0.00 O ATOM 1025 CB ASP A 65 4.529 7.646 -14.440 1.00 0.00 C ATOM 1026 CG ASP A 65 4.601 6.327 -15.185 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.145 5.355 -14.620 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.112 6.266 -16.332 1.00 0.00 O ATOM 0 H ASP A 65 3.707 9.744 -13.407 1.00 0.00 H new ATOM 0 HA ASP A 65 2.516 7.297 -13.811 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.339 8.451 -15.150 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.494 7.851 -13.977 1.00 0.00 H new ATOM 1033 N SER A 66 4.916 7.158 -11.529 1.00 0.00 N ATOM 1034 CA SER A 66 5.391 6.434 -10.358 1.00 0.00 C ATOM 1035 C SER A 66 4.287 6.435 -9.307 1.00 0.00 C ATOM 1036 O SER A 66 3.822 5.392 -8.855 1.00 0.00 O ATOM 1037 CB SER A 66 6.643 7.106 -9.794 1.00 0.00 C ATOM 1038 OG SER A 66 7.765 6.881 -10.630 1.00 0.00 O ATOM 0 H SER A 66 5.462 7.987 -11.762 1.00 0.00 H new ATOM 0 HA SER A 66 5.644 5.411 -10.636 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.470 8.177 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.847 6.721 -8.795 1.00 0.00 H new ATOM 0 HG SER A 66 7.586 7.244 -11.523 1.00 0.00 H new ATOM 1044 N LEU A 67 3.868 7.645 -8.960 1.00 0.00 N ATOM 1045 CA LEU A 67 2.804 7.892 -7.989 1.00 0.00 C ATOM 1046 C LEU A 67 1.658 6.892 -8.145 1.00 0.00 C ATOM 1047 O LEU A 67 1.350 6.147 -7.218 1.00 0.00 O ATOM 1048 CB LEU A 67 2.319 9.345 -8.184 1.00 0.00 C ATOM 1049 CG LEU A 67 0.988 9.758 -7.541 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.787 11.257 -7.674 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.194 9.022 -8.154 1.00 0.00 C ATOM 0 H LEU A 67 4.264 8.500 -9.351 1.00 0.00 H new ATOM 0 HA LEU A 67 3.185 7.758 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.094 10.009 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.242 9.529 -9.256 1.00 0.00 H new ATOM 0 HG LEU A 67 1.037 9.486 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.160 11.539 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.603 11.779 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.774 11.530 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.115 9.345 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.248 9.244 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.067 7.949 -8.013 1.00 0.00 H new ATOM 1063 N ALA A 68 1.030 6.872 -9.312 1.00 0.00 N ATOM 1064 CA ALA A 68 -0.074 5.954 -9.550 1.00 0.00 C ATOM 1065 C ALA A 68 0.421 4.514 -9.543 1.00 0.00 C ATOM 1066 O ALA A 68 -0.263 3.616 -9.057 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.762 6.279 -10.867 1.00 0.00 C ATOM 0 H ALA A 68 1.263 7.474 -10.101 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.801 6.071 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.585 5.583 -11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.149 7.297 -10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.045 6.190 -11.684 1.00 0.00 H new ATOM 1073 N HIS A 69 1.625 4.304 -10.070 1.00 0.00 N ATOM 1074 CA HIS A 69 2.216 2.973 -10.105 1.00 0.00 C ATOM 1075 C HIS A 69 2.261 2.387 -8.700 1.00 0.00 C ATOM 1076 O HIS A 69 2.046 1.193 -8.501 1.00 0.00 O ATOM 1077 CB HIS A 69 3.627 3.028 -10.693 1.00 0.00 C ATOM 1078 CG HIS A 69 4.207 1.678 -10.982 1.00 0.00 C ATOM 1079 ND1 HIS A 69 3.581 0.500 -10.633 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.364 1.323 -11.591 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.328 -0.522 -11.015 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.413 -0.050 -11.598 1.00 0.00 N ATOM 0 H HIS A 69 2.207 5.037 -10.477 1.00 0.00 H new ATOM 0 HA HIS A 69 1.600 2.336 -10.739 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.606 3.610 -11.614 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.281 3.555 -9.998 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.683 0.428 -10.155 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.108 1.993 -11.995 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.090 -1.566 -10.874 1.00 0.00 H new ATOM 1091 N MET A 70 2.540 3.251 -7.729 1.00 0.00 N ATOM 1092 CA MET A 70 2.618 2.843 -6.326 1.00 0.00 C ATOM 1093 C MET A 70 1.219 2.700 -5.712 1.00 0.00 C ATOM 1094 O MET A 70 0.871 1.632 -5.209 1.00 0.00 O ATOM 1095 CB MET A 70 3.449 3.865 -5.530 1.00 0.00 C ATOM 1096 CG MET A 70 4.649 4.423 -6.287 1.00 0.00 C ATOM 1097 SD MET A 70 6.211 3.722 -5.723 1.00 0.00 S ATOM 1098 CE MET A 70 6.672 2.736 -7.144 1.00 0.00 C ATOM 0 H MET A 70 2.717 4.243 -7.887 1.00 0.00 H new ATOM 0 HA MET A 70 3.105 1.869 -6.278 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.802 4.692 -5.237 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.800 3.394 -4.612 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.528 4.222 -7.351 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.677 5.506 -6.168 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.621 2.238 -6.948 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.902 1.988 -7.333 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.774 3.381 -8.017 1.00 0.00 H new ATOM 1108 N GLN A 71 0.417 3.771 -5.742 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.930 3.721 -5.169 1.00 0.00 C ATOM 1110 C GLN A 71 -1.760 2.583 -5.767 1.00 0.00 C ATOM 1111 O GLN A 71 -2.656 2.053 -5.109 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.686 5.055 -5.322 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.424 5.813 -6.608 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.707 6.197 -7.322 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.941 7.497 -7.462 1.00 0.00 O flip ATOM 1116 NE2 GLN A 71 -3.479 5.335 -7.742 1.00 0.00 N flip ATOM 0 H GLN A 71 0.673 4.670 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.793 3.532 -4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.755 4.856 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.424 5.699 -4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.851 6.713 -6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.812 5.200 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.260 4.347 -7.613 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.338 5.608 -8.219 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.469 2.208 -7.010 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.206 1.130 -7.669 1.00 0.00 C ATOM 1127 C ASN A 72 -1.667 -0.239 -7.261 1.00 0.00 C ATOM 1128 O ASN A 72 -2.438 -1.154 -6.969 1.00 0.00 O ATOM 1129 CB ASN A 72 -2.145 1.284 -9.189 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.404 0.785 -9.870 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -4.461 0.677 -9.246 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.298 0.477 -11.157 1.00 0.00 N ATOM 0 H ASN A 72 -0.735 2.630 -7.578 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.246 1.198 -7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.991 2.334 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.285 0.735 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.112 0.136 -11.668 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.403 0.582 -11.634 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.340 -0.376 -7.246 1.00 0.00 N ATOM 1140 CA VAL A 73 0.302 -1.636 -6.874 1.00 0.00 C ATOM 1141 C VAL A 73 -0.361 -2.245 -5.639 1.00 0.00 C ATOM 1142 O VAL A 73 -0.590 -3.453 -5.577 1.00 0.00 O ATOM 1143 CB VAL A 73 1.815 -1.432 -6.614 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.381 -2.522 -5.712 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.575 -1.385 -7.931 1.00 0.00 C ATOM 0 H VAL A 73 0.311 0.371 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 73 0.181 -2.325 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 73 1.939 -0.480 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.445 -2.346 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.862 -2.507 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.241 -3.494 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.637 -1.241 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.430 -2.322 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.203 -0.558 -8.536 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.673 -1.399 -4.665 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.319 -1.861 -3.438 1.00 0.00 C ATOM 1157 C VAL A 74 -2.763 -2.280 -3.707 1.00 0.00 C ATOM 1158 O VAL A 74 -3.197 -3.343 -3.262 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.304 -0.781 -2.335 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.042 -1.259 -1.088 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.123 -0.379 -1.985 1.00 0.00 C ATOM 0 H VAL A 74 -0.492 -0.396 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.747 -2.720 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.823 0.095 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.015 -0.478 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.078 -1.483 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.560 -2.158 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.106 0.383 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.669 -1.252 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.616 0.020 -2.871 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.507 -1.450 -4.449 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.897 -1.761 -4.779 1.00 0.00 C ATOM 1173 C ALA A 75 -5.013 -3.197 -5.266 1.00 0.00 C ATOM 1174 O ALA A 75 -6.048 -3.844 -5.107 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.427 -0.801 -5.837 1.00 0.00 C ATOM 0 H ALA A 75 -3.170 -0.565 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.499 -1.645 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.463 -1.050 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.375 0.221 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.823 -0.886 -6.741 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.927 -3.688 -5.853 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.881 -5.053 -6.360 1.00 0.00 C ATOM 1183 C ASP A 76 -3.709 -6.052 -5.217 1.00 0.00 C ATOM 1184 O ASP A 76 -4.350 -7.103 -5.197 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.739 -5.208 -7.365 1.00 0.00 C ATOM 1186 CG ASP A 76 -3.108 -6.111 -8.525 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.054 -7.347 -8.356 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -3.450 -5.582 -9.604 1.00 0.00 O ATOM 0 H ASP A 76 -3.066 -3.159 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.826 -5.260 -6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.459 -4.226 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.864 -5.613 -6.857 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.836 -5.720 -4.267 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.580 -6.595 -3.124 1.00 0.00 C ATOM 1195 C HIS A 77 -3.858 -6.849 -2.327 1.00 0.00 C ATOM 1196 O HIS A 77 -4.123 -7.979 -1.916 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.493 -6.000 -2.222 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.247 -5.617 -2.960 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.060 -5.862 -4.305 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.884 -5.005 -2.531 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.130 -5.418 -4.671 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.721 -4.893 -3.614 1.00 0.00 N ATOM 0 H HIS A 77 -2.296 -4.855 -4.266 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.227 -7.552 -3.507 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.892 -5.120 -1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.239 -6.723 -1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.089 -4.668 -1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.548 -5.475 -5.665 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.650 -4.472 -3.603 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.658 -5.805 -2.123 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.908 -5.942 -1.393 1.00 0.00 C ATOM 1213 C LEU A 78 -6.865 -6.849 -2.161 1.00 0.00 C ATOM 1214 O LEU A 78 -7.725 -7.501 -1.574 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.553 -4.566 -1.170 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.821 -3.623 -0.204 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.735 -2.482 0.210 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.326 -4.377 1.025 1.00 0.00 C ATOM 0 H LEU A 78 -4.461 -4.860 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.696 -6.389 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.640 -4.068 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.566 -4.719 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.954 -3.211 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.204 -1.821 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.039 -1.921 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.618 -2.885 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.811 -3.686 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.174 -4.821 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.638 -5.164 0.716 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.707 -6.882 -3.484 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.557 -7.708 -4.334 1.00 0.00 C ATOM 1232 C GLN A 79 -7.205 -9.193 -4.206 1.00 0.00 C ATOM 1233 O GLN A 79 -8.095 -10.038 -4.106 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.449 -7.256 -5.795 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.172 -8.167 -6.775 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.419 -7.502 -8.115 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.044 -6.331 -8.089 1.00 0.00 O flip ATOM 1238 NE2 GLN A 79 -8.051 -8.035 -9.162 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.999 -6.347 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.587 -7.581 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.854 -6.248 -5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.396 -7.203 -6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.584 -9.072 -6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.125 -8.474 -6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.574 -8.936 -9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.223 -7.575 -10.056 1.00 0.00 H new ATOM 1247 N ARG A 80 -5.911 -9.512 -4.210 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.468 -10.888 -4.093 1.00 0.00 C ATOM 1249 C ARG A 80 -5.908 -11.483 -2.759 1.00 0.00 C ATOM 1250 O ARG A 80 -6.227 -12.669 -2.672 1.00 0.00 O ATOM 1251 CB ARG A 80 -3.944 -10.947 -4.241 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.310 -12.207 -3.678 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.111 -12.638 -4.505 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.475 -13.837 -3.964 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.631 -13.828 -2.934 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.320 -12.688 -2.331 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -0.095 -14.964 -2.507 1.00 0.00 N ATOM 0 H ARG A 80 -5.156 -8.831 -4.293 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.924 -11.480 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.690 -10.868 -5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.508 -10.081 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.000 -12.032 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.047 -13.010 -3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.427 -12.827 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.384 -11.826 -4.540 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.690 -14.733 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.728 -11.811 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.327 -12.688 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.329 -15.843 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.552 -14.958 -1.718 1.00 0.00 H new ATOM 1271 N MET A 81 -5.923 -10.653 -1.720 1.00 0.00 N ATOM 1272 CA MET A 81 -6.324 -11.106 -0.394 1.00 0.00 C ATOM 1273 C MET A 81 -7.845 -11.164 -0.253 1.00 0.00 C ATOM 1274 O MET A 81 -8.364 -11.765 0.687 1.00 0.00 O ATOM 1275 CB MET A 81 -5.718 -10.205 0.692 1.00 0.00 C ATOM 1276 CG MET A 81 -6.150 -8.741 0.634 1.00 0.00 C ATOM 1277 SD MET A 81 -7.866 -8.488 1.137 1.00 0.00 S ATOM 1278 CE MET A 81 -7.903 -6.713 1.367 1.00 0.00 C ATOM 0 H MET A 81 -5.663 -9.668 -1.771 1.00 0.00 H new ATOM 0 HA MET A 81 -5.941 -12.118 -0.264 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.986 -10.608 1.668 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.632 -10.251 0.616 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.498 -8.150 1.278 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.017 -8.369 -0.382 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.923 -6.351 1.239 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.555 -6.469 2.371 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.254 -6.237 0.632 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.556 -10.537 -1.187 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.018 -10.522 -1.152 1.00 0.00 C ATOM 1290 C ALA A 82 -10.598 -10.636 -2.557 1.00 0.00 C ATOM 1291 O ALA A 82 -10.446 -9.731 -3.378 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.514 -9.252 -0.474 1.00 0.00 C ATOM 0 H ALA A 82 -8.147 -10.034 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.356 -11.384 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.604 -9.252 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.132 -9.211 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.161 -8.382 -1.028 1.00 0.00 H new ATOM 1298 N ASN A 83 -11.262 -11.755 -2.829 1.00 0.00 N ATOM 1299 CA ASN A 83 -11.862 -11.989 -4.139 1.00 0.00 C ATOM 1300 C ASN A 83 -13.349 -11.643 -4.132 1.00 0.00 C ATOM 1301 O ASN A 83 -13.858 -11.063 -3.173 1.00 0.00 O ATOM 1302 CB ASN A 83 -11.667 -13.449 -4.555 1.00 0.00 C ATOM 1303 CG ASN A 83 -10.642 -13.602 -5.663 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -9.532 -13.080 -5.572 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -11.013 -14.320 -6.716 1.00 0.00 N ATOM 0 H ASN A 83 -11.398 -12.514 -2.161 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.364 -11.341 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.352 -14.032 -3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -12.621 -13.860 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -10.367 -14.457 -7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -11.944 -14.735 -6.748 1.00 0.00 H new ATOM 1312 N SER A 84 -14.038 -12.003 -5.217 1.00 0.00 N ATOM 1313 CA SER A 84 -15.472 -11.739 -5.360 1.00 0.00 C ATOM 1314 C SER A 84 -15.742 -10.302 -5.811 1.00 0.00 C ATOM 1315 O SER A 84 -16.884 -9.943 -6.099 1.00 0.00 O ATOM 1316 CB SER A 84 -16.211 -12.020 -4.047 1.00 0.00 C ATOM 1317 OG SER A 84 -17.581 -12.292 -4.281 1.00 0.00 O ATOM 0 H SER A 84 -13.622 -12.482 -6.016 1.00 0.00 H new ATOM 0 HA SER A 84 -15.846 -12.412 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.750 -12.868 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.116 -11.162 -3.382 1.00 0.00 H new ATOM 0 HG SER A 84 -17.926 -11.675 -4.960 1.00 0.00 H new ATOM 1323 N GLU A 85 -14.694 -9.483 -5.874 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.839 -8.093 -6.294 1.00 0.00 C ATOM 1325 C GLU A 85 -13.473 -7.449 -6.510 1.00 0.00 C ATOM 1326 O GLU A 85 -12.516 -7.751 -5.797 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.629 -7.303 -5.251 1.00 0.00 C ATOM 1328 CG GLU A 85 -14.949 -7.237 -3.893 1.00 0.00 C ATOM 1329 CD GLU A 85 -15.875 -6.739 -2.801 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -17.049 -7.166 -2.777 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -15.426 -5.923 -1.969 1.00 0.00 O ATOM 0 H GLU A 85 -13.740 -9.757 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.384 -8.078 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.787 -6.289 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.613 -7.756 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.580 -8.227 -3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.082 -6.580 -3.957 1.00 0.00 H new ATOM 1338 N SER A 86 -13.387 -6.558 -7.494 1.00 0.00 N ATOM 1339 CA SER A 86 -12.132 -5.876 -7.789 1.00 0.00 C ATOM 1340 C SER A 86 -11.880 -4.758 -6.782 1.00 0.00 C ATOM 1341 O SER A 86 -11.977 -3.577 -7.116 1.00 0.00 O ATOM 1342 CB SER A 86 -12.158 -5.308 -9.209 1.00 0.00 C ATOM 1343 OG SER A 86 -13.438 -4.793 -9.530 1.00 0.00 O ATOM 0 H SER A 86 -14.166 -6.293 -8.097 1.00 0.00 H new ATOM 0 HA SER A 86 -11.321 -6.601 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.412 -4.519 -9.302 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.888 -6.088 -9.921 1.00 0.00 H new ATOM 0 HG SER A 86 -13.427 -4.435 -10.442 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.559 -5.155 -5.549 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.285 -4.224 -4.443 1.00 0.00 C ATOM 1351 C LEU A 87 -11.915 -2.856 -4.636 1.00 0.00 C ATOM 1352 O LEU A 87 -11.410 -2.035 -5.402 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.778 -4.019 -4.238 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.221 -4.460 -2.882 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.313 -3.319 -1.881 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.934 -5.693 -2.340 1.00 0.00 C ATOM 0 H LEU A 87 -11.480 -6.137 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.732 -4.696 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.248 -4.561 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.553 -2.961 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.175 -4.729 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.914 -3.645 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.736 -2.469 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.355 -3.025 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.504 -5.968 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.995 -5.475 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.814 -6.520 -3.040 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.977 -2.584 -3.897 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.595 -1.279 -3.972 1.00 0.00 C ATOM 1370 C GLU A 88 -12.662 -0.284 -3.300 1.00 0.00 C ATOM 1371 O GLU A 88 -12.638 -0.176 -2.074 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.954 -1.286 -3.271 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.715 0.024 -3.404 1.00 0.00 C ATOM 1374 CD GLU A 88 -17.213 -0.156 -3.264 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.698 -0.230 -2.116 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.902 -0.223 -4.304 1.00 0.00 O ATOM 0 H GLU A 88 -13.420 -3.238 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.762 -1.003 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.561 -2.092 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.807 -1.505 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.364 0.723 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.495 0.471 -4.374 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.873 0.422 -4.100 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.922 1.379 -3.556 1.00 0.00 C ATOM 1385 C ILE A 89 -10.989 2.712 -4.297 1.00 0.00 C ATOM 1386 O ILE A 89 -10.902 2.747 -5.524 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.463 0.823 -3.598 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.819 0.970 -4.989 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.444 -0.636 -3.179 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.179 -0.143 -5.952 1.00 0.00 C ATOM 0 H ILE A 89 -11.873 0.351 -5.117 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.200 1.544 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.876 1.417 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.123 1.923 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.735 1.003 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.421 -1.011 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.831 -0.728 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.066 -1.218 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.688 0.031 -6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.850 -1.098 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.259 -0.163 -6.097 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.121 3.817 -3.563 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.156 5.119 -4.206 1.00 0.00 C ATOM 1404 C ALA A 90 -9.797 5.782 -4.078 1.00 0.00 C ATOM 1405 O ALA A 90 -9.382 6.171 -2.986 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.238 6.011 -3.607 1.00 0.00 C ATOM 0 H ALA A 90 -11.203 3.833 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.397 4.975 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.235 6.977 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.212 5.538 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.042 6.157 -2.545 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.107 5.902 -5.199 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.788 6.514 -5.215 1.00 0.00 C ATOM 1414 C TRP A 91 -7.880 8.001 -5.520 1.00 0.00 C ATOM 1415 O TRP A 91 -8.583 8.416 -6.441 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.892 5.826 -6.246 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.486 5.789 -7.620 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.160 4.750 -8.195 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.460 6.838 -8.595 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.554 5.089 -9.466 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.137 6.365 -9.735 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.931 8.131 -8.614 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.297 7.140 -10.881 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.091 8.900 -9.752 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.769 8.403 -10.871 1.00 0.00 C ATOM 0 H TRP A 91 -9.437 5.584 -6.110 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.350 6.391 -4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.934 6.344 -6.286 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.690 4.806 -5.918 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.355 3.800 -7.719 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.073 4.488 -10.106 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.406 8.523 -7.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.819 6.758 -11.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.686 9.901 -9.778 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.878 9.029 -11.745 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.161 8.797 -4.742 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.155 10.242 -4.930 1.00 0.00 C ATOM 1438 C GLN A 92 -6.060 10.648 -5.912 1.00 0.00 C ATOM 1439 O GLN A 92 -5.005 10.018 -5.975 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.951 10.956 -3.592 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.139 10.835 -2.650 1.00 0.00 C ATOM 1442 CD GLN A 92 -8.014 11.733 -1.436 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -7.127 11.367 -0.517 1.00 0.00 O flip ATOM 1444 NE2 GLN A 92 -8.706 12.745 -1.324 1.00 0.00 N flip ATOM 0 H GLN A 92 -6.575 8.468 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.121 10.537 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.067 10.547 -3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.752 12.011 -3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.053 11.085 -3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.235 9.800 -2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.375 12.989 -2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.610 13.340 -0.501 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.303 11.710 -6.698 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.341 12.201 -7.690 1.00 0.00 C ATOM 1455 C PRO A 93 -3.928 12.324 -7.139 1.00 0.00 C ATOM 1456 O PRO A 93 -2.956 12.094 -7.858 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.874 13.585 -8.029 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.345 13.486 -7.818 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.542 12.514 -6.686 1.00 0.00 C ATOM 0 HA PRO A 93 -5.260 11.520 -8.537 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.432 14.347 -7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.639 13.859 -9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.770 14.460 -7.573 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.845 13.138 -8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.677 13.029 -5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.424 11.893 -6.840 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.830 12.712 -5.864 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.543 12.898 -5.187 1.00 0.00 C ATOM 1469 C ALA A 94 -2.182 14.383 -5.135 1.00 0.00 C ATOM 1470 O ALA A 94 -3.052 15.243 -5.267 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.424 12.095 -5.855 1.00 0.00 C ATOM 0 H ALA A 94 -4.639 12.906 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.648 12.522 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.488 12.262 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.672 11.034 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.314 12.417 -6.891 1.00 0.00 H new ATOM 1477 N GLU A 95 -0.900 14.680 -4.940 1.00 0.00 N ATOM 1478 CA GLU A 95 -0.438 16.062 -4.869 1.00 0.00 C ATOM 1479 C GLU A 95 -1.203 16.842 -3.803 1.00 0.00 C ATOM 1480 O GLU A 95 -2.302 17.339 -4.050 1.00 0.00 O ATOM 1481 CB GLU A 95 -0.598 16.746 -6.229 1.00 0.00 C ATOM 1482 CG GLU A 95 -0.043 18.160 -6.268 1.00 0.00 C ATOM 1483 CD GLU A 95 1.405 18.229 -5.822 1.00 0.00 C ATOM 1484 OE1 GLU A 95 1.666 18.031 -4.617 1.00 0.00 O ATOM 1485 OE2 GLU A 95 2.278 18.481 -6.679 1.00 0.00 O ATOM 0 H GLU A 95 -0.164 13.983 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 95 0.617 16.050 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.096 16.147 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.656 16.772 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.126 18.552 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.648 18.802 -5.628 1.00 0.00 H new ATOM 1492 N SER A 96 -0.615 16.942 -2.615 1.00 0.00 N ATOM 1493 CA SER A 96 -1.239 17.660 -1.510 1.00 0.00 C ATOM 1494 C SER A 96 -0.520 18.978 -1.242 1.00 0.00 C ATOM 1495 O SER A 96 0.728 18.990 -1.288 1.00 0.00 O ATOM 1496 CB SER A 96 -1.235 16.798 -0.247 1.00 0.00 C ATOM 1497 OG SER A 96 -1.903 15.567 -0.466 1.00 0.00 O ATOM 1498 OXT SER A 96 -1.211 19.988 -0.989 1.00 0.00 O ATOM 0 H SER A 96 0.293 16.534 -2.393 1.00 0.00 H new ATOM 0 HA SER A 96 -2.270 17.879 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.208 16.607 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.719 17.338 0.567 1.00 0.00 H new ATOM 0 HG SER A 96 -1.885 15.034 0.356 1.00 0.00 H new TER 1504 SER A 96