USER MOD reduce.3.24.130724 H: found=0, std=0, add=1312, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1330 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 103 HIS : no HE2:sc= -4 K(o=-4,f=-6.3!) USER MOD Set 1.2: A 138 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 109 THR OG1 : rot 45:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0173 (180deg=-0.192) USER MOD Single : A 2 ASN : amide:sc= -0.0135 K(o=-0.014,f=-0.55) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 41:sc= 0.445 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.303 X(o=-0.3,f=0.036!) USER MOD Single : A 17 THR OG1 : rot 90:sc= 1.13 USER MOD Single : A 19 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.01) USER MOD Single : A 20 GLN : amide:sc= -0.049 K(o=-0.049,f=-0.98) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.052) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.024) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.838 (180deg=-1.18) USER MOD Single : A 66 ASN : amide:sc= -0.359 K(o=-0.36,f=-2.4!) USER MOD Single : A 68 HIS : no HD1:sc= -0.611 K(o=-0.61,f=-0.032) USER MOD Single : A 73 MET CE :methyl -152:sc= -0.244 (180deg=-1.27) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.029) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 117 ASN : amide:sc=-0.00371 K(o=-0.0037,f=-1) USER MOD Single : A 119 ASN : amide:sc= -0.916 K(o=-0.92,f=-0.18) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 36:sc= 0.47 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -1.02 K(o=-1,f=-0.44) USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 THR OG1 : rot -170:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 ASN : amide:sc= -0.488 K(o=-0.49,f=-2) USER MOD Single : A 150 ASN : amide:sc= -0.343 K(o=-0.34,f=-2!) USER MOD Single : A 152 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 MET CE :methyl 170:sc= -0.524 (180deg=-0.614) USER MOD Single : A 161 GLN : amide:sc= -0.598 K(o=-0.6,f=-4.6!) USER MOD Single : A 165 HIS : no HE2:sc= -0.445 K(o=-0.45,f=-1.9) USER MOD Single : A 166 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.74) USER MOD Single : A 167 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 169 HIS : no HD1:sc= -0.535 X(o=-0.54,f=-0.2) USER MOD Single : A 170 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.049 -34.568 9.695 1.00 0.00 N ATOM 2 CA MET A 1 21.609 -33.301 10.236 1.00 0.00 C ATOM 3 C MET A 1 20.696 -32.119 9.925 1.00 0.00 C ATOM 4 O MET A 1 20.639 -31.151 10.684 1.00 0.00 O ATOM 5 CB MET A 1 22.991 -33.077 9.619 1.00 0.00 C ATOM 6 CG MET A 1 23.719 -31.868 10.183 1.00 0.00 C ATOM 7 SD MET A 1 23.994 -31.990 11.961 1.00 0.00 S ATOM 8 CE MET A 1 25.425 -33.066 12.009 1.00 0.00 C ATOM 0 H1 MET A 1 21.562 -35.376 10.101 1.00 0.00 H new ATOM 0 H2 MET A 1 20.042 -34.637 9.945 1.00 0.00 H new ATOM 0 H3 MET A 1 21.151 -34.578 8.660 1.00 0.00 H new ATOM 0 HA MET A 1 21.689 -33.378 11.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.601 -33.966 9.781 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.883 -32.956 8.541 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.678 -31.758 9.678 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.141 -30.969 9.969 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.717 -33.237 13.045 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.180 -34.019 11.540 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.250 -32.598 11.472 1.00 0.00 H new ATOM 20 N ASN A 2 19.984 -32.204 8.806 1.00 0.00 N ATOM 21 CA ASN A 2 19.075 -31.142 8.395 1.00 0.00 C ATOM 22 C ASN A 2 17.856 -31.085 9.310 1.00 0.00 C ATOM 23 O ASN A 2 17.327 -30.010 9.590 1.00 0.00 O ATOM 24 CB ASN A 2 18.632 -31.352 6.947 1.00 0.00 C ATOM 25 CG ASN A 2 19.799 -31.623 6.018 1.00 0.00 C ATOM 26 OD1 ASN A 2 20.916 -31.164 6.255 1.00 0.00 O ATOM 27 ND2 ASN A 2 19.546 -32.374 4.953 1.00 0.00 N ATOM 0 H ASN A 2 20.020 -32.999 8.167 1.00 0.00 H new ATOM 0 HA ASN A 2 19.607 -30.194 8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 2 17.933 -32.188 6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 2 18.095 -30.468 6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 2 20.293 -32.591 4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 2 18.605 -32.734 4.795 1.00 0.00 H new ATOM 34 N ALA A 3 17.414 -32.251 9.772 1.00 0.00 N ATOM 35 CA ALA A 3 16.255 -32.339 10.656 1.00 0.00 C ATOM 36 C ALA A 3 16.411 -31.427 11.871 1.00 0.00 C ATOM 37 O ALA A 3 15.422 -31.013 12.477 1.00 0.00 O ATOM 38 CB ALA A 3 16.040 -33.778 11.100 1.00 0.00 C ATOM 0 H ALA A 3 17.841 -33.150 9.549 1.00 0.00 H new ATOM 0 HA ALA A 3 15.381 -32.005 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 3 15.173 -33.830 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 3 15.870 -34.407 10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.923 -34.130 11.634 1.00 0.00 H new ATOM 44 N ASP A 4 17.655 -31.115 12.220 1.00 0.00 N ATOM 45 CA ASP A 4 17.935 -30.250 13.359 1.00 0.00 C ATOM 46 C ASP A 4 17.680 -28.791 13.001 1.00 0.00 C ATOM 47 O ASP A 4 16.884 -28.111 13.649 1.00 0.00 O ATOM 48 CB ASP A 4 19.381 -30.430 13.822 1.00 0.00 C ATOM 49 CG ASP A 4 19.652 -31.828 14.342 1.00 0.00 C ATOM 50 OD1 ASP A 4 19.362 -32.800 13.613 1.00 0.00 O ATOM 51 OD2 ASP A 4 20.154 -31.953 15.480 1.00 0.00 O ATOM 0 H ASP A 4 18.485 -31.449 11.730 1.00 0.00 H new ATOM 0 HA ASP A 4 17.266 -30.531 14.173 1.00 0.00 H new ATOM 0 HB2 ASP A 4 20.055 -30.217 12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.602 -29.705 14.605 1.00 0.00 H new ATOM 57 N GLU A 5 18.359 -28.320 11.961 1.00 0.00 N ATOM 58 CA GLU A 5 18.205 -26.943 11.509 1.00 0.00 C ATOM 59 C GLU A 5 16.819 -26.723 10.911 1.00 0.00 C ATOM 60 O GLU A 5 16.304 -25.604 10.908 1.00 0.00 O ATOM 61 CB GLU A 5 19.280 -26.599 10.476 1.00 0.00 C ATOM 62 CG GLU A 5 20.543 -26.014 11.086 1.00 0.00 C ATOM 63 CD GLU A 5 21.806 -26.579 10.466 1.00 0.00 C ATOM 64 OE1 GLU A 5 21.909 -26.574 9.221 1.00 0.00 O ATOM 65 OE2 GLU A 5 22.692 -27.026 11.225 1.00 0.00 O ATOM 0 H GLU A 5 19.021 -28.872 11.415 1.00 0.00 H new ATOM 0 HA GLU A 5 18.319 -26.287 12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.539 -27.500 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 5 18.869 -25.888 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.534 -24.931 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.549 -26.211 12.158 1.00 0.00 H new ATOM 73 N TRP A 6 16.217 -27.797 10.407 1.00 0.00 N ATOM 74 CA TRP A 6 14.890 -27.716 9.808 1.00 0.00 C ATOM 75 C TRP A 6 13.811 -27.646 10.885 1.00 0.00 C ATOM 76 O TRP A 6 12.759 -27.039 10.684 1.00 0.00 O ATOM 77 CB TRP A 6 14.641 -28.920 8.897 1.00 0.00 C ATOM 78 CG TRP A 6 13.697 -28.628 7.771 1.00 0.00 C ATOM 79 CD1 TRP A 6 12.565 -29.320 7.450 1.00 0.00 C ATOM 80 CD2 TRP A 6 13.804 -27.568 6.814 1.00 0.00 C ATOM 81 NE1 TRP A 6 11.961 -28.756 6.352 1.00 0.00 N ATOM 82 CE2 TRP A 6 12.704 -27.677 5.944 1.00 0.00 C ATOM 83 CE3 TRP A 6 14.724 -26.536 6.609 1.00 0.00 C ATOM 84 CZ2 TRP A 6 12.499 -26.795 4.886 1.00 0.00 C ATOM 85 CZ3 TRP A 6 14.520 -25.660 5.559 1.00 0.00 C ATOM 86 CH2 TRP A 6 13.414 -25.794 4.709 1.00 0.00 C ATOM 0 H TRP A 6 16.627 -28.731 10.402 1.00 0.00 H new ATOM 0 HA TRP A 6 14.844 -26.805 9.212 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.592 -29.258 8.486 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.242 -29.741 9.493 1.00 0.00 H new ATOM 0 HD1 TRP A 6 12.197 -30.185 7.982 1.00 0.00 H new ATOM 0 HE1 TRP A 6 11.102 -29.085 5.912 1.00 0.00 H new ATOM 0 HE3 TRP A 6 15.579 -26.425 7.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.648 -26.898 4.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 15.225 -24.859 5.391 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.282 -25.093 3.898 1.00 0.00 H new ATOM 97 N MET A 7 14.080 -28.272 12.026 1.00 0.00 N ATOM 98 CA MET A 7 13.133 -28.280 13.135 1.00 0.00 C ATOM 99 C MET A 7 12.999 -26.889 13.746 1.00 0.00 C ATOM 100 O MET A 7 11.892 -26.415 13.998 1.00 0.00 O ATOM 101 CB MET A 7 13.578 -29.280 14.205 1.00 0.00 C ATOM 102 CG MET A 7 12.626 -29.368 15.388 1.00 0.00 C ATOM 103 SD MET A 7 11.524 -30.791 15.289 1.00 0.00 S ATOM 104 CE MET A 7 11.229 -31.112 17.026 1.00 0.00 C ATOM 0 H MET A 7 14.946 -28.780 12.207 1.00 0.00 H new ATOM 0 HA MET A 7 12.160 -28.582 12.748 1.00 0.00 H new ATOM 0 HB2 MET A 7 13.673 -30.267 13.752 1.00 0.00 H new ATOM 0 HB3 MET A 7 14.567 -28.998 14.565 1.00 0.00 H new ATOM 0 HG2 MET A 7 13.204 -29.424 16.311 1.00 0.00 H new ATOM 0 HG3 MET A 7 12.031 -28.456 15.439 1.00 0.00 H new ATOM 0 HE1 MET A 7 10.562 -31.968 17.130 1.00 0.00 H new ATOM 0 HE2 MET A 7 12.175 -31.327 17.522 1.00 0.00 H new ATOM 0 HE3 MET A 7 10.770 -30.236 17.485 1.00 0.00 H new ATOM 114 N THR A 8 14.135 -26.240 13.983 1.00 0.00 N ATOM 115 CA THR A 8 14.145 -24.903 14.565 1.00 0.00 C ATOM 116 C THR A 8 13.430 -23.909 13.656 1.00 0.00 C ATOM 117 O THR A 8 12.659 -23.070 14.123 1.00 0.00 O ATOM 118 CB THR A 8 15.582 -24.443 14.813 1.00 0.00 C ATOM 119 OG1 THR A 8 16.333 -24.477 13.612 1.00 0.00 O ATOM 120 CG2 THR A 8 16.313 -25.286 15.835 1.00 0.00 C ATOM 0 H THR A 8 15.060 -26.619 13.781 1.00 0.00 H new ATOM 0 HA THR A 8 13.615 -24.944 15.517 1.00 0.00 H new ATOM 0 HB THR A 8 15.497 -23.427 15.198 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.249 -24.178 13.790 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.326 -24.905 15.963 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.786 -25.241 16.788 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.354 -26.320 15.491 1.00 0.00 H new ATOM 128 N THR A 9 13.692 -24.007 12.357 1.00 0.00 N ATOM 129 CA THR A 9 13.073 -23.117 11.382 1.00 0.00 C ATOM 130 C THR A 9 11.553 -23.249 11.411 1.00 0.00 C ATOM 131 O THR A 9 10.833 -22.251 11.393 1.00 0.00 O ATOM 132 CB THR A 9 13.596 -23.421 9.977 1.00 0.00 C ATOM 133 OG1 THR A 9 13.825 -24.809 9.818 1.00 0.00 O ATOM 134 CG2 THR A 9 14.888 -22.702 9.652 1.00 0.00 C ATOM 0 H THR A 9 14.329 -24.694 11.955 1.00 0.00 H new ATOM 0 HA THR A 9 13.336 -22.093 11.646 1.00 0.00 H new ATOM 0 HB THR A 9 12.821 -23.068 9.296 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.094 -25.311 10.235 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.204 -22.961 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.732 -21.625 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.659 -23.001 10.362 1.00 0.00 H new ATOM 142 N PHE A 10 11.074 -24.487 11.457 1.00 0.00 N ATOM 143 CA PHE A 10 9.639 -24.750 11.488 1.00 0.00 C ATOM 144 C PHE A 10 9.030 -24.279 12.806 1.00 0.00 C ATOM 145 O PHE A 10 7.954 -23.682 12.825 1.00 0.00 O ATOM 146 CB PHE A 10 9.369 -26.243 11.289 1.00 0.00 C ATOM 147 CG PHE A 10 8.900 -26.589 9.906 1.00 0.00 C ATOM 148 CD1 PHE A 10 7.744 -26.023 9.390 1.00 0.00 C ATOM 149 CD2 PHE A 10 9.613 -27.479 9.120 1.00 0.00 C ATOM 150 CE1 PHE A 10 7.310 -26.338 8.117 1.00 0.00 C ATOM 151 CE2 PHE A 10 9.184 -27.800 7.845 1.00 0.00 C ATOM 152 CZ PHE A 10 8.030 -27.227 7.343 1.00 0.00 C ATOM 0 H PHE A 10 11.657 -25.324 11.474 1.00 0.00 H new ATOM 0 HA PHE A 10 9.173 -24.194 10.675 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.280 -26.801 11.505 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.619 -26.567 12.010 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.176 -25.328 9.991 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.515 -27.928 9.508 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.408 -25.889 7.727 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.749 -28.496 7.243 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.692 -27.474 6.347 1.00 0.00 H new ATOM 162 N ARG A 11 9.725 -24.554 13.905 1.00 0.00 N ATOM 163 CA ARG A 11 9.252 -24.159 15.227 1.00 0.00 C ATOM 164 C ARG A 11 9.097 -22.644 15.319 1.00 0.00 C ATOM 165 O ARG A 11 8.234 -22.142 16.039 1.00 0.00 O ATOM 166 CB ARG A 11 10.219 -24.651 16.305 1.00 0.00 C ATOM 167 CG ARG A 11 9.561 -24.871 17.657 1.00 0.00 C ATOM 168 CD ARG A 11 10.537 -24.632 18.797 1.00 0.00 C ATOM 169 NE ARG A 11 10.306 -25.543 19.916 1.00 0.00 N ATOM 170 CZ ARG A 11 11.137 -25.676 20.947 1.00 0.00 C ATOM 171 NH1 ARG A 11 12.253 -24.959 21.007 1.00 0.00 N ATOM 172 NH2 ARG A 11 10.853 -26.529 21.922 1.00 0.00 N ATOM 0 H ARG A 11 10.617 -25.048 13.906 1.00 0.00 H new ATOM 0 HA ARG A 11 8.276 -24.616 15.388 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.673 -25.585 15.975 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.025 -23.926 16.416 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.708 -24.201 17.761 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.176 -25.889 17.714 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.557 -24.756 18.433 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.445 -23.602 19.143 1.00 0.00 H new ATOM 0 HE ARG A 11 9.458 -26.110 19.906 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.478 -24.302 20.260 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.886 -25.066 21.800 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.998 -27.083 21.882 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.490 -26.631 22.712 1.00 0.00 H new ATOM 186 N GLU A 12 9.939 -21.922 14.588 1.00 0.00 N ATOM 187 CA GLU A 12 9.894 -20.464 14.587 1.00 0.00 C ATOM 188 C GLU A 12 8.616 -19.958 13.926 1.00 0.00 C ATOM 189 O GLU A 12 7.964 -19.044 14.432 1.00 0.00 O ATOM 190 CB GLU A 12 11.117 -19.896 13.863 1.00 0.00 C ATOM 191 CG GLU A 12 11.652 -18.617 14.484 1.00 0.00 C ATOM 192 CD GLU A 12 12.295 -17.697 13.464 1.00 0.00 C ATOM 193 OE1 GLU A 12 11.610 -16.766 12.990 1.00 0.00 O ATOM 194 OE2 GLU A 12 13.482 -17.907 13.140 1.00 0.00 O ATOM 0 H GLU A 12 10.661 -22.322 13.989 1.00 0.00 H new ATOM 0 HA GLU A 12 9.903 -20.125 15.623 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.908 -20.646 13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.856 -19.703 12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.837 -18.090 14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.383 -18.869 15.252 1.00 0.00 H new ATOM 202 N ASN A 13 8.264 -20.558 12.794 1.00 0.00 N ATOM 203 CA ASN A 13 7.063 -20.168 12.064 1.00 0.00 C ATOM 204 C ASN A 13 5.807 -20.525 12.852 1.00 0.00 C ATOM 205 O ASN A 13 4.959 -19.670 13.110 1.00 0.00 O ATOM 206 CB ASN A 13 7.031 -20.847 10.693 1.00 0.00 C ATOM 207 CG ASN A 13 7.592 -19.961 9.597 1.00 0.00 C ATOM 208 OD1 ASN A 13 6.976 -18.968 9.210 1.00 0.00 O ATOM 209 ND2 ASN A 13 8.767 -20.318 9.091 1.00 0.00 N ATOM 0 H ASN A 13 8.793 -21.316 12.362 1.00 0.00 H new ATOM 0 HA ASN A 13 7.087 -19.087 11.925 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.603 -21.774 10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.004 -21.117 10.448 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.194 -19.761 8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.242 -21.149 9.442 1.00 0.00 H new ATOM 216 N ILE A 14 5.693 -21.794 13.233 1.00 0.00 N ATOM 217 CA ILE A 14 4.541 -22.264 13.991 1.00 0.00 C ATOM 218 C ILE A 14 4.415 -21.518 15.316 1.00 0.00 C ATOM 219 O ILE A 14 3.308 -21.269 15.797 1.00 0.00 O ATOM 220 CB ILE A 14 4.630 -23.778 14.267 1.00 0.00 C ATOM 221 CG1 ILE A 14 3.361 -24.270 14.968 1.00 0.00 C ATOM 222 CG2 ILE A 14 5.861 -24.098 15.102 1.00 0.00 C ATOM 223 CD1 ILE A 14 3.307 -25.773 15.136 1.00 0.00 C ATOM 0 H ILE A 14 6.385 -22.515 13.028 1.00 0.00 H new ATOM 0 HA ILE A 14 3.658 -22.067 13.383 1.00 0.00 H new ATOM 0 HB ILE A 14 4.719 -24.297 13.313 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.292 -23.800 15.949 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.491 -23.945 14.397 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.907 -25.171 15.286 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.756 -23.784 14.566 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.803 -23.569 16.053 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.381 -26.050 15.640 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.344 -26.250 14.157 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.157 -26.103 15.733 1.00 0.00 H new ATOM 235 N ALA A 15 5.554 -21.163 15.901 1.00 0.00 N ATOM 236 CA ALA A 15 5.570 -20.444 17.169 1.00 0.00 C ATOM 237 C ALA A 15 4.953 -19.058 17.023 1.00 0.00 C ATOM 238 O ALA A 15 4.019 -18.705 17.744 1.00 0.00 O ATOM 239 CB ALA A 15 6.994 -20.337 17.695 1.00 0.00 C ATOM 0 H ALA A 15 6.478 -21.362 15.517 1.00 0.00 H new ATOM 0 HA ALA A 15 4.970 -21.006 17.885 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.992 -19.798 18.642 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.402 -21.336 17.847 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.609 -19.800 16.973 1.00 0.00 H new ATOM 245 N GLN A 16 5.479 -18.277 16.085 1.00 0.00 N ATOM 246 CA GLN A 16 4.979 -16.929 15.845 1.00 0.00 C ATOM 247 C GLN A 16 3.509 -16.958 15.439 1.00 0.00 C ATOM 248 O GLN A 16 2.754 -16.033 15.736 1.00 0.00 O ATOM 249 CB GLN A 16 5.807 -16.242 14.757 1.00 0.00 C ATOM 250 CG GLN A 16 7.280 -16.110 15.106 1.00 0.00 C ATOM 251 CD GLN A 16 8.148 -15.857 13.888 1.00 0.00 C ATOM 252 OE1 GLN A 16 8.667 -16.789 13.277 1.00 0.00 O ATOM 253 NE2 GLN A 16 8.307 -14.588 13.530 1.00 0.00 N ATOM 0 H GLN A 16 6.251 -18.555 15.479 1.00 0.00 H new ATOM 0 HA GLN A 16 5.070 -16.364 16.773 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.711 -16.806 13.829 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.396 -15.250 14.571 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.410 -15.293 15.816 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.615 -17.020 15.603 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.857 -13.846 14.067 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.879 -14.355 12.718 1.00 0.00 H new ATOM 262 N THR A 17 3.110 -18.028 14.759 1.00 0.00 N ATOM 263 CA THR A 17 1.730 -18.179 14.313 1.00 0.00 C ATOM 264 C THR A 17 0.811 -18.505 15.486 1.00 0.00 C ATOM 265 O THR A 17 -0.243 -17.893 15.651 1.00 0.00 O ATOM 266 CB THR A 17 1.632 -19.278 13.253 1.00 0.00 C ATOM 267 OG1 THR A 17 2.649 -19.126 12.280 1.00 0.00 O ATOM 268 CG2 THR A 17 0.303 -19.294 12.530 1.00 0.00 C ATOM 0 H THR A 17 3.723 -18.803 14.505 1.00 0.00 H new ATOM 0 HA THR A 17 1.410 -17.233 13.877 1.00 0.00 H new ATOM 0 HB THR A 17 1.742 -20.216 13.797 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.445 -19.625 12.558 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.300 -20.096 11.792 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.500 -19.458 13.248 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.151 -18.339 12.028 1.00 0.00 H new ATOM 276 N TRP A 18 1.220 -19.475 16.299 1.00 0.00 N ATOM 277 CA TRP A 18 0.433 -19.882 17.458 1.00 0.00 C ATOM 278 C TRP A 18 0.256 -18.720 18.430 1.00 0.00 C ATOM 279 O TRP A 18 -0.839 -18.489 18.943 1.00 0.00 O ATOM 280 CB TRP A 18 1.105 -21.061 18.165 1.00 0.00 C ATOM 281 CG TRP A 18 0.180 -22.215 18.407 1.00 0.00 C ATOM 282 CD1 TRP A 18 -0.082 -23.248 17.555 1.00 0.00 C ATOM 283 CD2 TRP A 18 -0.607 -22.451 19.580 1.00 0.00 C ATOM 284 NE1 TRP A 18 -0.984 -24.113 18.125 1.00 0.00 N ATOM 285 CE2 TRP A 18 -1.321 -23.647 19.369 1.00 0.00 C ATOM 286 CE3 TRP A 18 -0.778 -21.770 20.788 1.00 0.00 C ATOM 287 CZ2 TRP A 18 -2.190 -24.172 20.321 1.00 0.00 C ATOM 288 CZ3 TRP A 18 -1.641 -22.294 21.732 1.00 0.00 C ATOM 289 CH2 TRP A 18 -2.338 -23.485 21.494 1.00 0.00 C ATOM 0 H TRP A 18 2.090 -19.993 16.177 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.553 -20.191 17.110 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.949 -21.401 17.566 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.508 -20.721 19.119 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.356 -23.368 16.575 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.344 -24.964 17.693 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.245 -20.850 20.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.729 -25.090 20.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.780 -21.776 22.669 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.005 -23.868 22.252 1.00 0.00 H new ATOM 300 N GLN A 19 1.339 -17.993 18.679 1.00 0.00 N ATOM 301 CA GLN A 19 1.303 -16.855 19.590 1.00 0.00 C ATOM 302 C GLN A 19 0.362 -15.772 19.069 1.00 0.00 C ATOM 303 O GLN A 19 -0.594 -15.389 19.744 1.00 0.00 O ATOM 304 CB GLN A 19 2.711 -16.282 19.779 1.00 0.00 C ATOM 305 CG GLN A 19 3.190 -16.314 21.221 1.00 0.00 C ATOM 306 CD GLN A 19 3.809 -17.646 21.599 1.00 0.00 C ATOM 307 OE1 GLN A 19 3.366 -18.306 22.539 1.00 0.00 O ATOM 308 NE2 GLN A 19 4.841 -18.048 20.866 1.00 0.00 N ATOM 0 H GLN A 19 2.253 -18.171 18.263 1.00 0.00 H new ATOM 0 HA GLN A 19 0.929 -17.202 20.553 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.410 -16.845 19.160 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.727 -15.252 19.422 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.921 -15.521 21.375 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.350 -16.106 21.884 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.176 -17.469 20.096 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.299 -18.936 21.073 1.00 0.00 H new ATOM 317 N GLN A 20 0.639 -15.283 17.865 1.00 0.00 N ATOM 318 CA GLN A 20 -0.183 -14.245 17.253 1.00 0.00 C ATOM 319 C GLN A 20 -0.402 -14.529 15.767 1.00 0.00 C ATOM 320 O GLN A 20 0.557 -14.659 15.008 1.00 0.00 O ATOM 321 CB GLN A 20 0.477 -12.876 17.429 1.00 0.00 C ATOM 322 CG GLN A 20 0.996 -12.626 18.835 1.00 0.00 C ATOM 323 CD GLN A 20 -0.104 -12.229 19.801 1.00 0.00 C ATOM 324 OE1 GLN A 20 -1.042 -11.522 19.434 1.00 0.00 O ATOM 325 NE2 GLN A 20 0.008 -12.682 21.044 1.00 0.00 N ATOM 0 H GLN A 20 1.427 -15.589 17.293 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.153 -14.242 17.751 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.304 -12.788 16.725 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.244 -12.099 17.173 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.489 -13.526 19.202 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.750 -11.839 18.805 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.803 -13.266 21.304 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.701 -12.446 21.738 1.00 0.00 H new ATOM 334 N PRO A 21 -1.671 -14.631 15.329 1.00 0.00 N ATOM 335 CA PRO A 21 -1.999 -14.901 13.926 1.00 0.00 C ATOM 336 C PRO A 21 -1.715 -13.704 13.024 1.00 0.00 C ATOM 337 O PRO A 21 -1.229 -13.859 11.904 1.00 0.00 O ATOM 338 CB PRO A 21 -3.499 -15.197 13.963 1.00 0.00 C ATOM 339 CG PRO A 21 -4.000 -14.459 15.155 1.00 0.00 C ATOM 340 CD PRO A 21 -2.882 -14.490 16.163 1.00 0.00 C ATOM 0 HA PRO A 21 -1.400 -15.715 13.517 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.992 -14.859 13.052 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.690 -16.267 14.050 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.264 -13.433 14.896 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.899 -14.928 15.555 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.854 -13.579 16.760 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.990 -15.323 16.858 1.00 0.00 H new ATOM 348 N GLU A 22 -2.020 -12.510 13.521 1.00 0.00 N ATOM 349 CA GLU A 22 -1.798 -11.286 12.760 1.00 0.00 C ATOM 350 C GLU A 22 -0.365 -10.793 12.929 1.00 0.00 C ATOM 351 O GLU A 22 0.176 -10.795 14.036 1.00 0.00 O ATOM 352 CB GLU A 22 -2.779 -10.200 13.204 1.00 0.00 C ATOM 353 CG GLU A 22 -4.209 -10.694 13.350 1.00 0.00 C ATOM 354 CD GLU A 22 -5.229 -9.678 12.873 1.00 0.00 C ATOM 355 OE1 GLU A 22 -6.071 -10.035 12.024 1.00 0.00 O ATOM 356 OE2 GLU A 22 -5.184 -8.525 13.351 1.00 0.00 O ATOM 0 H GLU A 22 -2.422 -12.364 14.447 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.965 -11.508 11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.446 -9.789 14.157 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.757 -9.385 12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.330 -11.618 12.784 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.402 -10.933 14.396 1.00 0.00 H new ATOM 364 N HIS A 23 0.246 -10.371 11.827 1.00 0.00 N ATOM 365 CA HIS A 23 1.617 -9.876 11.855 1.00 0.00 C ATOM 366 C HIS A 23 1.647 -8.354 11.762 1.00 0.00 C ATOM 367 O HIS A 23 0.876 -7.752 11.014 1.00 0.00 O ATOM 368 CB HIS A 23 2.424 -10.484 10.706 1.00 0.00 C ATOM 369 CG HIS A 23 2.321 -11.975 10.626 1.00 0.00 C ATOM 370 ND1 HIS A 23 2.467 -12.800 11.722 1.00 0.00 N ATOM 371 CD2 HIS A 23 2.086 -12.792 9.571 1.00 0.00 C ATOM 372 CE1 HIS A 23 2.326 -14.059 11.345 1.00 0.00 C ATOM 373 NE2 HIS A 23 2.094 -14.081 10.046 1.00 0.00 N ATOM 0 H HIS A 23 -0.187 -10.362 10.903 1.00 0.00 H new ATOM 0 HA HIS A 23 2.066 -10.174 12.803 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.082 -10.053 9.765 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.472 -10.206 10.822 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.923 -12.487 8.548 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.390 -14.923 11.990 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.945 -14.920 9.485 1.00 0.00 H new ATOM 382 N TYR A 24 2.541 -7.737 12.528 1.00 0.00 N ATOM 383 CA TYR A 24 2.672 -6.285 12.533 1.00 0.00 C ATOM 384 C TYR A 24 3.378 -5.797 11.272 1.00 0.00 C ATOM 385 O TYR A 24 4.570 -6.040 11.083 1.00 0.00 O ATOM 386 CB TYR A 24 3.441 -5.825 13.773 1.00 0.00 C ATOM 387 CG TYR A 24 2.663 -5.977 15.061 1.00 0.00 C ATOM 388 CD1 TYR A 24 1.491 -5.263 15.274 1.00 0.00 C ATOM 389 CD2 TYR A 24 3.101 -6.834 16.062 1.00 0.00 C ATOM 390 CE1 TYR A 24 0.776 -5.400 16.450 1.00 0.00 C ATOM 391 CE2 TYR A 24 2.393 -6.976 17.240 1.00 0.00 C ATOM 392 CZ TYR A 24 1.232 -6.257 17.430 1.00 0.00 C ATOM 393 OH TYR A 24 0.524 -6.395 18.601 1.00 0.00 O ATOM 0 H TYR A 24 3.186 -8.220 13.153 1.00 0.00 H new ATOM 0 HA TYR A 24 1.670 -5.856 12.555 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.367 -6.396 13.848 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.721 -4.779 13.649 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.132 -4.590 14.509 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.010 -7.399 15.917 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.135 -4.839 16.600 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.747 -7.647 18.008 1.00 0.00 H new ATOM 0 HH TYR A 24 0.979 -7.037 19.185 1.00 0.00 H new ATOM 403 N ASP A 25 2.635 -5.108 10.413 1.00 0.00 N ATOM 404 CA ASP A 25 3.191 -4.585 9.170 1.00 0.00 C ATOM 405 C ASP A 25 3.921 -3.269 9.412 1.00 0.00 C ATOM 406 O ASP A 25 3.511 -2.464 10.249 1.00 0.00 O ATOM 407 CB ASP A 25 2.082 -4.384 8.136 1.00 0.00 C ATOM 408 CG ASP A 25 1.737 -5.664 7.401 1.00 0.00 C ATOM 409 OD1 ASP A 25 2.547 -6.102 6.558 1.00 0.00 O ATOM 410 OD2 ASP A 25 0.654 -6.229 7.668 1.00 0.00 O ATOM 0 H ASP A 25 1.647 -4.899 10.554 1.00 0.00 H new ATOM 0 HA ASP A 25 3.908 -5.312 8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.190 -4.002 8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.394 -3.628 7.416 1.00 0.00 H new ATOM 416 N LEU A 26 5.006 -3.056 8.675 1.00 0.00 N ATOM 417 CA LEU A 26 5.795 -1.837 8.809 1.00 0.00 C ATOM 418 C LEU A 26 5.962 -1.145 7.459 1.00 0.00 C ATOM 419 O LEU A 26 6.146 -1.800 6.433 1.00 0.00 O ATOM 420 CB LEU A 26 7.168 -2.156 9.404 1.00 0.00 C ATOM 421 CG LEU A 26 8.091 -0.950 9.585 1.00 0.00 C ATOM 422 CD1 LEU A 26 7.504 0.026 10.593 1.00 0.00 C ATOM 423 CD2 LEU A 26 9.477 -1.402 10.024 1.00 0.00 C ATOM 0 H LEU A 26 5.359 -3.712 7.978 1.00 0.00 H new ATOM 0 HA LEU A 26 5.263 -1.162 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.025 -2.634 10.373 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.666 -2.882 8.761 1.00 0.00 H new ATOM 0 HG LEU A 26 8.182 -0.439 8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.175 0.877 10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.533 0.374 10.240 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.382 -0.473 11.554 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.121 -0.532 10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.402 -1.936 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.901 -2.062 9.267 1.00 0.00 H new ATOM 435 N TYR A 27 5.897 0.182 7.469 1.00 0.00 N ATOM 436 CA TYR A 27 6.041 0.963 6.245 1.00 0.00 C ATOM 437 C TYR A 27 7.103 2.044 6.412 1.00 0.00 C ATOM 438 O TYR A 27 6.947 2.964 7.215 1.00 0.00 O ATOM 439 CB TYR A 27 4.704 1.600 5.861 1.00 0.00 C ATOM 440 CG TYR A 27 3.586 0.599 5.677 1.00 0.00 C ATOM 441 CD1 TYR A 27 3.625 -0.332 4.646 1.00 0.00 C ATOM 442 CD2 TYR A 27 2.492 0.583 6.533 1.00 0.00 C ATOM 443 CE1 TYR A 27 2.605 -1.249 4.473 1.00 0.00 C ATOM 444 CE2 TYR A 27 1.469 -0.331 6.368 1.00 0.00 C ATOM 445 CZ TYR A 27 1.530 -1.244 5.337 1.00 0.00 C ATOM 446 OH TYR A 27 0.513 -2.156 5.169 1.00 0.00 O ATOM 0 H TYR A 27 5.746 0.739 8.310 1.00 0.00 H new ATOM 0 HA TYR A 27 6.356 0.289 5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.417 2.315 6.632 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.832 2.163 4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.466 -0.339 3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.440 1.297 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.650 -1.965 3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.626 -0.330 7.043 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.167 -2.019 5.861 1.00 0.00 H new ATOM 456 N ILE A 28 8.183 1.927 5.646 1.00 0.00 N ATOM 457 CA ILE A 28 9.273 2.895 5.709 1.00 0.00 C ATOM 458 C ILE A 28 9.817 3.201 4.316 1.00 0.00 C ATOM 459 O ILE A 28 9.645 2.413 3.386 1.00 0.00 O ATOM 460 CB ILE A 28 10.425 2.392 6.601 1.00 0.00 C ATOM 461 CG1 ILE A 28 11.010 1.090 6.043 1.00 0.00 C ATOM 462 CG2 ILE A 28 9.942 2.195 8.031 1.00 0.00 C ATOM 463 CD1 ILE A 28 10.079 -0.099 6.158 1.00 0.00 C ATOM 0 H ILE A 28 8.327 1.172 4.975 1.00 0.00 H new ATOM 0 HA ILE A 28 8.861 3.806 6.144 1.00 0.00 H new ATOM 0 HB ILE A 28 11.213 3.145 6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.266 1.238 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.938 0.865 6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.767 1.840 8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.576 3.143 8.425 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.136 1.461 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.564 -0.982 5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.842 -0.275 7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.160 0.104 5.608 1.00 0.00 H new ATOM 475 N PRO A 29 10.484 4.356 4.153 1.00 0.00 N ATOM 476 CA PRO A 29 11.055 4.764 2.864 1.00 0.00 C ATOM 477 C PRO A 29 11.934 3.678 2.251 1.00 0.00 C ATOM 478 O PRO A 29 12.408 2.782 2.949 1.00 0.00 O ATOM 479 CB PRO A 29 11.894 5.993 3.220 1.00 0.00 C ATOM 480 CG PRO A 29 11.260 6.541 4.451 1.00 0.00 C ATOM 481 CD PRO A 29 10.736 5.354 5.210 1.00 0.00 C ATOM 0 HA PRO A 29 10.283 4.960 2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.935 5.724 3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.887 6.725 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.983 7.098 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.454 7.231 4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.460 4.992 5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.826 5.597 5.758 1.00 0.00 H new ATOM 489 N ALA A 30 12.146 3.766 0.941 1.00 0.00 N ATOM 490 CA ALA A 30 12.967 2.791 0.234 1.00 0.00 C ATOM 491 C ALA A 30 14.427 3.227 0.198 1.00 0.00 C ATOM 492 O ALA A 30 14.797 4.244 0.784 1.00 0.00 O ATOM 493 CB ALA A 30 12.440 2.584 -1.178 1.00 0.00 C ATOM 0 H ALA A 30 11.761 4.502 0.349 1.00 0.00 H new ATOM 0 HA ALA A 30 12.911 1.845 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.062 1.854 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.414 2.220 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.466 3.530 -1.718 1.00 0.00 H new ATOM 499 N ILE A 31 15.254 2.451 -0.496 1.00 0.00 N ATOM 500 CA ILE A 31 16.675 2.757 -0.610 1.00 0.00 C ATOM 501 C ILE A 31 16.979 3.474 -1.921 1.00 0.00 C ATOM 502 O ILE A 31 16.387 3.173 -2.958 1.00 0.00 O ATOM 503 CB ILE A 31 17.533 1.480 -0.526 1.00 0.00 C ATOM 504 CG1 ILE A 31 17.060 0.453 -1.556 1.00 0.00 C ATOM 505 CG2 ILE A 31 17.477 0.896 0.878 1.00 0.00 C ATOM 506 CD1 ILE A 31 18.179 -0.393 -2.123 1.00 0.00 C ATOM 0 H ILE A 31 14.964 1.606 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 31 16.926 3.410 0.226 1.00 0.00 H new ATOM 0 HB ILE A 31 18.568 1.740 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 31 16.320 -0.200 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 31 16.559 0.973 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 31 18.088 -0.006 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 31 17.857 1.627 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.445 0.648 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 31 17.771 -1.099 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 31 18.908 0.251 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.665 -0.941 -1.316 1.00 0.00 H new ATOM 518 N THR A 32 17.905 4.426 -1.867 1.00 0.00 N ATOM 519 CA THR A 32 18.289 5.187 -3.050 1.00 0.00 C ATOM 520 C THR A 32 19.151 4.344 -3.985 1.00 0.00 C ATOM 521 O THR A 32 18.926 4.315 -5.195 1.00 0.00 O ATOM 522 CB THR A 32 19.044 6.454 -2.644 1.00 0.00 C ATOM 523 OG1 THR A 32 19.330 7.252 -3.779 1.00 0.00 O ATOM 524 CG2 THR A 32 20.354 6.170 -1.941 1.00 0.00 C ATOM 0 H THR A 32 18.403 4.689 -1.017 1.00 0.00 H new ATOM 0 HA THR A 32 17.379 5.469 -3.581 1.00 0.00 H new ATOM 0 HB THR A 32 18.383 6.975 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 32 19.812 8.058 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 32 20.839 7.111 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 32 20.163 5.597 -1.034 1.00 0.00 H new ATOM 0 HG23 THR A 32 21.005 5.598 -2.602 1.00 0.00 H new ATOM 532 N TRP A 33 20.136 3.659 -3.415 1.00 0.00 N ATOM 533 CA TRP A 33 21.032 2.815 -4.198 1.00 0.00 C ATOM 534 C TRP A 33 21.454 1.584 -3.401 1.00 0.00 C ATOM 535 O TRP A 33 20.988 0.475 -3.659 1.00 0.00 O ATOM 536 CB TRP A 33 22.266 3.610 -4.631 1.00 0.00 C ATOM 537 CG TRP A 33 22.417 3.708 -6.119 1.00 0.00 C ATOM 538 CD1 TRP A 33 21.685 4.487 -6.967 1.00 0.00 C ATOM 539 CD2 TRP A 33 23.359 3.001 -6.933 1.00 0.00 C ATOM 540 NE1 TRP A 33 22.114 4.307 -8.261 1.00 0.00 N ATOM 541 CE2 TRP A 33 23.141 3.400 -8.266 1.00 0.00 C ATOM 542 CE3 TRP A 33 24.367 2.070 -6.665 1.00 0.00 C ATOM 543 CZ2 TRP A 33 23.894 2.900 -9.325 1.00 0.00 C ATOM 544 CZ3 TRP A 33 25.113 1.575 -7.719 1.00 0.00 C ATOM 545 CH2 TRP A 33 24.874 1.991 -9.034 1.00 0.00 C ATOM 0 H TRP A 33 20.335 3.671 -2.415 1.00 0.00 H new ATOM 0 HA TRP A 33 20.496 2.482 -5.086 1.00 0.00 H new ATOM 0 HB2 TRP A 33 22.208 4.615 -4.212 1.00 0.00 H new ATOM 0 HB3 TRP A 33 23.157 3.141 -4.213 1.00 0.00 H new ATOM 0 HD1 TRP A 33 20.886 5.148 -6.666 1.00 0.00 H new ATOM 0 HE1 TRP A 33 21.730 4.773 -9.083 1.00 0.00 H new ATOM 0 HE3 TRP A 33 24.559 1.743 -5.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 23.711 3.219 -10.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 25.894 0.855 -7.524 1.00 0.00 H new ATOM 0 HH2 TRP A 33 25.475 1.586 -9.835 1.00 0.00 H new ATOM 556 N HIS A 34 22.339 1.790 -2.430 1.00 0.00 N ATOM 557 CA HIS A 34 22.824 0.698 -1.595 1.00 0.00 C ATOM 558 C HIS A 34 23.264 1.213 -0.229 1.00 0.00 C ATOM 559 O HIS A 34 22.609 0.961 0.782 1.00 0.00 O ATOM 560 CB HIS A 34 23.987 -0.020 -2.281 1.00 0.00 C ATOM 561 CG HIS A 34 23.552 -1.098 -3.225 1.00 0.00 C ATOM 562 ND1 HIS A 34 24.088 -1.259 -4.485 1.00 0.00 N ATOM 563 CD2 HIS A 34 22.625 -2.076 -3.086 1.00 0.00 C ATOM 564 CE1 HIS A 34 23.510 -2.286 -5.081 1.00 0.00 C ATOM 565 NE2 HIS A 34 22.619 -2.799 -4.254 1.00 0.00 N ATOM 0 H HIS A 34 22.734 2.703 -2.203 1.00 0.00 H new ATOM 0 HA HIS A 34 22.006 -0.007 -1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 34 24.583 0.711 -2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 34 24.635 -0.455 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 34 22.006 -2.254 -2.219 1.00 0.00 H new ATOM 0 HE1 HIS A 34 23.729 -2.645 -6.076 1.00 0.00 H new ATOM 0 HE2 HIS A 34 22.022 -3.603 -4.450 1.00 0.00 H new ATOM 574 N ALA A 35 24.378 1.938 -0.207 1.00 0.00 N ATOM 575 CA ALA A 35 24.907 2.490 1.035 1.00 0.00 C ATOM 576 C ALA A 35 25.227 1.385 2.035 1.00 0.00 C ATOM 577 O ALA A 35 24.397 1.031 2.872 1.00 0.00 O ATOM 578 CB ALA A 35 23.916 3.477 1.635 1.00 0.00 C ATOM 0 H ALA A 35 24.932 2.157 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 35 25.834 3.015 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 35 24.322 3.882 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 35 23.740 4.289 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 35 22.975 2.967 1.843 1.00 0.00 H new ATOM 584 N ARG A 36 26.438 0.844 1.942 1.00 0.00 N ATOM 585 CA ARG A 36 26.870 -0.221 2.840 1.00 0.00 C ATOM 586 C ARG A 36 28.216 0.114 3.472 1.00 0.00 C ATOM 587 O ARG A 36 28.297 0.418 4.663 1.00 0.00 O ATOM 588 CB ARG A 36 26.965 -1.548 2.084 1.00 0.00 C ATOM 589 CG ARG A 36 25.624 -2.059 1.581 1.00 0.00 C ATOM 590 CD ARG A 36 24.809 -2.678 2.704 1.00 0.00 C ATOM 591 NE ARG A 36 23.955 -1.696 3.367 1.00 0.00 N ATOM 592 CZ ARG A 36 22.796 -1.267 2.873 1.00 0.00 C ATOM 593 NH1 ARG A 36 22.350 -1.729 1.711 1.00 0.00 N ATOM 594 NH2 ARG A 36 22.082 -0.372 3.540 1.00 0.00 N ATOM 0 H ARG A 36 27.137 1.126 1.254 1.00 0.00 H new ATOM 0 HA ARG A 36 26.129 -0.316 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 36 27.639 -1.426 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 36 27.408 -2.299 2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.065 -1.237 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 36 25.786 -2.798 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 36 24.192 -3.483 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.482 -3.126 3.436 1.00 0.00 H new ATOM 0 HE ARG A 36 24.265 -1.317 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 36 22.896 -2.416 1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 36 21.461 -1.397 1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.421 -0.012 4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.194 -0.043 3.161 1.00 0.00 H new ATOM 608 N PHE A 37 29.273 0.057 2.668 1.00 0.00 N ATOM 609 CA PHE A 37 30.617 0.355 3.148 1.00 0.00 C ATOM 610 C PHE A 37 31.126 1.666 2.560 1.00 0.00 C ATOM 611 O PHE A 37 32.323 1.829 2.322 1.00 0.00 O ATOM 612 CB PHE A 37 31.574 -0.783 2.789 1.00 0.00 C ATOM 613 CG PHE A 37 31.243 -2.083 3.467 1.00 0.00 C ATOM 614 CD1 PHE A 37 31.526 -2.269 4.812 1.00 0.00 C ATOM 615 CD2 PHE A 37 30.650 -3.116 2.761 1.00 0.00 C ATOM 616 CE1 PHE A 37 31.222 -3.463 5.438 1.00 0.00 C ATOM 617 CE2 PHE A 37 30.345 -4.313 3.381 1.00 0.00 C ATOM 618 CZ PHE A 37 30.631 -4.486 4.722 1.00 0.00 C ATOM 0 H PHE A 37 29.224 -0.193 1.680 1.00 0.00 H new ATOM 0 HA PHE A 37 30.574 0.456 4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.560 -0.932 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 37 32.589 -0.491 3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 37 31.989 -1.473 5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 37 30.423 -2.985 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 37 31.446 -3.596 6.486 1.00 0.00 H new ATOM 0 HE2 PHE A 37 29.884 -5.112 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 37 30.393 -5.420 5.210 1.00 0.00 H new ATOM 628 N ALA A 38 30.210 2.600 2.326 1.00 0.00 N ATOM 629 CA ALA A 38 30.565 3.897 1.765 1.00 0.00 C ATOM 630 C ALA A 38 30.876 4.905 2.867 1.00 0.00 C ATOM 631 O ALA A 38 30.056 5.141 3.756 1.00 0.00 O ATOM 632 CB ALA A 38 29.444 4.413 0.876 1.00 0.00 C ATOM 0 H ALA A 38 29.215 2.482 2.517 1.00 0.00 H new ATOM 0 HA ALA A 38 31.463 3.770 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 38 29.723 5.383 0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 38 29.272 3.709 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 38 28.532 4.518 1.464 1.00 0.00 H new ATOM 638 N TYR A 39 32.062 5.499 2.801 1.00 0.00 N ATOM 639 CA TYR A 39 32.481 6.483 3.793 1.00 0.00 C ATOM 640 C TYR A 39 31.718 7.792 3.616 1.00 0.00 C ATOM 641 O TYR A 39 31.387 8.182 2.497 1.00 0.00 O ATOM 642 CB TYR A 39 33.986 6.738 3.685 1.00 0.00 C ATOM 643 CG TYR A 39 34.581 7.380 4.918 1.00 0.00 C ATOM 644 CD1 TYR A 39 34.829 6.635 6.063 1.00 0.00 C ATOM 645 CD2 TYR A 39 34.897 8.733 4.935 1.00 0.00 C ATOM 646 CE1 TYR A 39 35.373 7.218 7.191 1.00 0.00 C ATOM 647 CE2 TYR A 39 35.442 9.324 6.059 1.00 0.00 C ATOM 648 CZ TYR A 39 35.678 8.563 7.183 1.00 0.00 C ATOM 649 OH TYR A 39 36.220 9.148 8.305 1.00 0.00 O ATOM 0 H TYR A 39 32.751 5.317 2.071 1.00 0.00 H new ATOM 0 HA TYR A 39 32.257 6.083 4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 39 34.494 5.792 3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 39 34.177 7.379 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 39 34.592 5.581 6.072 1.00 0.00 H new ATOM 0 HD2 TYR A 39 34.714 9.332 4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 39 35.558 6.624 8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 39 35.682 10.377 6.056 1.00 0.00 H new ATOM 0 HH TYR A 39 36.377 10.100 8.134 1.00 0.00 H new ATOM 659 N ASP A 40 31.442 8.465 4.728 1.00 0.00 N ATOM 660 CA ASP A 40 30.717 9.730 4.696 1.00 0.00 C ATOM 661 C ASP A 40 31.680 10.911 4.758 1.00 0.00 C ATOM 662 O ASP A 40 32.823 10.771 5.195 1.00 0.00 O ATOM 663 CB ASP A 40 29.726 9.803 5.859 1.00 0.00 C ATOM 664 CG ASP A 40 30.394 9.587 7.202 1.00 0.00 C ATOM 665 OD1 ASP A 40 30.177 8.516 7.808 1.00 0.00 O ATOM 666 OD2 ASP A 40 31.133 10.489 7.649 1.00 0.00 O ATOM 0 H ASP A 40 31.709 8.156 5.662 1.00 0.00 H new ATOM 0 HA ASP A 40 30.168 9.782 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 40 29.234 10.776 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 40 28.949 9.052 5.718 1.00 0.00 H new ATOM 672 N LYS A 41 31.211 12.074 4.318 1.00 0.00 N ATOM 673 CA LYS A 41 32.031 13.281 4.324 1.00 0.00 C ATOM 674 C LYS A 41 31.725 14.141 5.546 1.00 0.00 C ATOM 675 O LYS A 41 30.581 14.218 5.992 1.00 0.00 O ATOM 676 CB LYS A 41 31.794 14.088 3.046 1.00 0.00 C ATOM 677 CG LYS A 41 33.032 14.818 2.550 1.00 0.00 C ATOM 678 CD LYS A 41 33.896 13.919 1.681 1.00 0.00 C ATOM 679 CE LYS A 41 35.351 14.363 1.694 1.00 0.00 C ATOM 680 NZ LYS A 41 36.040 13.971 2.955 1.00 0.00 N ATOM 0 H LYS A 41 30.268 12.207 3.953 1.00 0.00 H new ATOM 0 HA LYS A 41 33.078 12.980 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 41 31.439 13.418 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 41 31.002 14.814 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 41 32.733 15.698 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 41 33.614 15.171 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 41 33.825 12.891 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.520 13.930 0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 41 35.872 13.923 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 41 35.401 15.445 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 37.057 14.169 2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 35.646 14.515 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 35.898 12.955 3.127 1.00 0.00 H new ATOM 694 N GLU A 42 32.756 14.785 6.083 1.00 0.00 N ATOM 695 CA GLU A 42 32.598 15.639 7.254 1.00 0.00 C ATOM 696 C GLU A 42 33.452 16.896 7.129 1.00 0.00 C ATOM 697 O GLU A 42 34.681 16.824 7.101 1.00 0.00 O ATOM 698 CB GLU A 42 32.977 14.875 8.524 1.00 0.00 C ATOM 699 CG GLU A 42 32.578 15.588 9.805 1.00 0.00 C ATOM 700 CD GLU A 42 31.079 15.780 9.922 1.00 0.00 C ATOM 701 OE1 GLU A 42 30.386 14.822 10.324 1.00 0.00 O ATOM 702 OE2 GLU A 42 30.597 16.890 9.611 1.00 0.00 O ATOM 0 H GLU A 42 33.710 14.732 5.726 1.00 0.00 H new ATOM 0 HA GLU A 42 31.551 15.937 7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.504 13.893 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 42 34.054 14.710 8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 42 32.935 15.016 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.069 16.560 9.844 1.00 0.00 H new ATOM 710 N LYS A 43 32.794 18.049 7.054 1.00 0.00 N ATOM 711 CA LYS A 43 33.494 19.323 6.933 1.00 0.00 C ATOM 712 C LYS A 43 32.633 20.469 7.454 1.00 0.00 C ATOM 713 O LYS A 43 33.105 21.322 8.205 1.00 0.00 O ATOM 714 CB LYS A 43 33.879 19.579 5.474 1.00 0.00 C ATOM 715 CG LYS A 43 35.264 19.068 5.112 1.00 0.00 C ATOM 716 CD LYS A 43 35.589 19.332 3.651 1.00 0.00 C ATOM 717 CE LYS A 43 37.019 18.936 3.319 1.00 0.00 C ATOM 718 NZ LYS A 43 37.128 18.329 1.964 1.00 0.00 N ATOM 0 H LYS A 43 31.777 18.127 7.075 1.00 0.00 H new ATOM 0 HA LYS A 43 34.400 19.271 7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 43 33.144 19.104 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.833 20.650 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 43 36.008 19.551 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.322 17.998 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 43 34.899 18.775 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 43 35.442 20.389 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.661 19.815 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.382 18.228 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.119 18.073 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 36.535 17.476 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.806 19.013 1.250 1.00 0.00 H new ATOM 732 N THR A 44 31.367 20.483 7.049 1.00 0.00 N ATOM 733 CA THR A 44 30.440 21.525 7.475 1.00 0.00 C ATOM 734 C THR A 44 29.009 20.998 7.522 1.00 0.00 C ATOM 735 O THR A 44 28.284 21.231 8.490 1.00 0.00 O ATOM 736 CB THR A 44 30.522 22.726 6.530 1.00 0.00 C ATOM 737 OG1 THR A 44 29.535 23.687 6.856 1.00 0.00 O ATOM 738 CG2 THR A 44 30.342 22.356 5.075 1.00 0.00 C ATOM 0 H THR A 44 30.960 19.785 6.427 1.00 0.00 H new ATOM 0 HA THR A 44 30.724 21.839 8.479 1.00 0.00 H new ATOM 0 HB THR A 44 31.526 23.130 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 44 29.604 24.448 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 44 30.411 23.253 4.460 1.00 0.00 H new ATOM 0 HG22 THR A 44 31.120 21.653 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 44 29.364 21.895 4.935 1.00 0.00 H new ATOM 746 N ASP A 45 28.609 20.289 6.473 1.00 0.00 N ATOM 747 CA ASP A 45 27.265 19.730 6.394 1.00 0.00 C ATOM 748 C ASP A 45 26.982 18.817 7.584 1.00 0.00 C ATOM 749 O ASP A 45 27.433 17.672 7.622 1.00 0.00 O ATOM 750 CB ASP A 45 27.088 18.952 5.089 1.00 0.00 C ATOM 751 CG ASP A 45 25.691 19.094 4.515 1.00 0.00 C ATOM 752 OD1 ASP A 45 24.728 18.671 5.189 1.00 0.00 O ATOM 753 OD2 ASP A 45 25.561 19.627 3.394 1.00 0.00 O ATOM 0 H ASP A 45 29.197 20.087 5.664 1.00 0.00 H new ATOM 0 HA ASP A 45 26.555 20.557 6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 45 27.816 19.304 4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.299 17.898 5.266 1.00 0.00 H new ATOM 759 N ARG A 46 26.234 19.333 8.553 1.00 0.00 N ATOM 760 CA ARG A 46 25.891 18.567 9.746 1.00 0.00 C ATOM 761 C ARG A 46 24.424 18.760 10.113 1.00 0.00 C ATOM 762 O ARG A 46 24.080 19.656 10.885 1.00 0.00 O ATOM 763 CB ARG A 46 26.782 18.980 10.918 1.00 0.00 C ATOM 764 CG ARG A 46 26.738 18.012 12.088 1.00 0.00 C ATOM 765 CD ARG A 46 28.030 18.044 12.888 1.00 0.00 C ATOM 766 NE ARG A 46 27.957 18.974 14.011 1.00 0.00 N ATOM 767 CZ ARG A 46 28.864 19.035 14.983 1.00 0.00 C ATOM 768 NH1 ARG A 46 29.914 18.225 14.973 1.00 0.00 N ATOM 769 NH2 ARG A 46 28.721 19.911 15.969 1.00 0.00 N ATOM 0 H ARG A 46 25.853 20.279 8.536 1.00 0.00 H new ATOM 0 HA ARG A 46 26.056 17.512 9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 46 27.811 19.067 10.568 1.00 0.00 H new ATOM 0 HB3 ARG A 46 26.478 19.968 11.264 1.00 0.00 H new ATOM 0 HG2 ARG A 46 25.900 18.264 12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 46 26.563 17.002 11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 46 28.250 17.043 13.260 1.00 0.00 H new ATOM 0 HD3 ARG A 46 28.854 18.330 12.234 1.00 0.00 H new ATOM 0 HE ARG A 46 27.164 19.615 14.053 1.00 0.00 H new ATOM 0 HH11 ARG A 46 30.030 17.550 14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 46 30.605 18.277 15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 46 27.916 20.537 15.982 1.00 0.00 H new ATOM 0 HH22 ARG A 46 29.416 19.958 16.714 1.00 0.00 H new ATOM 783 N TYR A 47 23.564 17.914 9.556 1.00 0.00 N ATOM 784 CA TYR A 47 22.133 17.992 9.825 1.00 0.00 C ATOM 785 C TYR A 47 21.789 17.305 11.144 1.00 0.00 C ATOM 786 O TYR A 47 22.444 16.343 11.543 1.00 0.00 O ATOM 787 CB TYR A 47 21.342 17.356 8.679 1.00 0.00 C ATOM 788 CG TYR A 47 20.351 18.298 8.031 1.00 0.00 C ATOM 789 CD1 TYR A 47 20.784 19.352 7.236 1.00 0.00 C ATOM 790 CD2 TYR A 47 18.984 18.132 8.213 1.00 0.00 C ATOM 791 CE1 TYR A 47 19.883 20.215 6.643 1.00 0.00 C ATOM 792 CE2 TYR A 47 18.076 18.990 7.623 1.00 0.00 C ATOM 793 CZ TYR A 47 18.530 20.029 6.838 1.00 0.00 C ATOM 794 OH TYR A 47 17.630 20.886 6.249 1.00 0.00 O ATOM 0 H TYR A 47 23.833 17.167 8.916 1.00 0.00 H new ATOM 0 HA TYR A 47 21.859 19.044 9.904 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.040 16.999 7.922 1.00 0.00 H new ATOM 0 HB3 TYR A 47 20.808 16.484 9.057 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.842 19.499 7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 47 18.625 17.319 8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.236 21.031 6.030 1.00 0.00 H new ATOM 0 HE2 TYR A 47 17.016 18.848 7.776 1.00 0.00 H new ATOM 0 HH TYR A 47 16.718 20.616 6.485 1.00 0.00 H new ATOM 804 N ASN A 48 20.757 17.808 11.815 1.00 0.00 N ATOM 805 CA ASN A 48 20.325 17.242 13.088 1.00 0.00 C ATOM 806 C ASN A 48 19.538 15.954 12.873 1.00 0.00 C ATOM 807 O ASN A 48 18.879 15.781 11.847 1.00 0.00 O ATOM 808 CB ASN A 48 19.472 18.254 13.856 1.00 0.00 C ATOM 809 CG ASN A 48 20.300 19.119 14.786 1.00 0.00 C ATOM 810 OD1 ASN A 48 21.495 18.891 14.966 1.00 0.00 O ATOM 811 ND2 ASN A 48 19.664 20.122 15.382 1.00 0.00 N ATOM 0 H ASN A 48 20.205 18.605 11.499 1.00 0.00 H new ATOM 0 HA ASN A 48 21.214 17.008 13.673 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.942 18.891 13.147 1.00 0.00 H new ATOM 0 HB3 ASN A 48 18.716 17.723 14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 48 20.168 20.740 16.018 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.671 20.274 15.203 1.00 0.00 H new ATOM 818 N GLU A 49 19.608 15.054 13.848 1.00 0.00 N ATOM 819 CA GLU A 49 18.901 13.781 13.766 1.00 0.00 C ATOM 820 C GLU A 49 17.501 13.898 14.361 1.00 0.00 C ATOM 821 O GLU A 49 17.337 13.965 15.579 1.00 0.00 O ATOM 822 CB GLU A 49 19.688 12.689 14.494 1.00 0.00 C ATOM 823 CG GLU A 49 20.668 11.947 13.601 1.00 0.00 C ATOM 824 CD GLU A 49 19.975 11.044 12.598 1.00 0.00 C ATOM 825 OE1 GLU A 49 19.543 11.551 11.542 1.00 0.00 O ATOM 826 OE2 GLU A 49 19.864 9.830 12.870 1.00 0.00 O ATOM 0 H GLU A 49 20.147 15.182 14.704 1.00 0.00 H new ATOM 0 HA GLU A 49 18.808 13.512 12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.234 13.138 15.324 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.987 11.973 14.924 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.286 12.669 13.068 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.338 11.350 14.220 1.00 0.00 H new ATOM 834 N ARG A 50 16.495 13.922 13.493 1.00 0.00 N ATOM 835 CA ARG A 50 15.109 14.031 13.933 1.00 0.00 C ATOM 836 C ARG A 50 14.234 12.988 13.238 1.00 0.00 C ATOM 837 O ARG A 50 14.388 12.736 12.043 1.00 0.00 O ATOM 838 CB ARG A 50 14.572 15.434 13.648 1.00 0.00 C ATOM 839 CG ARG A 50 13.169 15.670 14.185 1.00 0.00 C ATOM 840 CD ARG A 50 12.512 16.870 13.522 1.00 0.00 C ATOM 841 NE ARG A 50 11.520 16.471 12.526 1.00 0.00 N ATOM 842 CZ ARG A 50 10.306 16.015 12.831 1.00 0.00 C ATOM 843 NH1 ARG A 50 9.934 15.895 14.099 1.00 0.00 N ATOM 844 NH2 ARG A 50 9.465 15.676 11.864 1.00 0.00 N ATOM 0 H ARG A 50 16.614 13.867 12.481 1.00 0.00 H new ATOM 0 HA ARG A 50 15.078 13.848 15.007 1.00 0.00 H new ATOM 0 HB2 ARG A 50 15.248 16.168 14.086 1.00 0.00 H new ATOM 0 HB3 ARG A 50 14.573 15.602 12.571 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.560 14.782 14.017 1.00 0.00 H new ATOM 0 HG3 ARG A 50 13.213 15.827 15.263 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.034 17.487 14.282 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.276 17.485 13.046 1.00 0.00 H new ATOM 0 HE ARG A 50 11.772 16.546 11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.579 16.152 14.846 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.003 15.545 14.327 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.748 15.764 10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.535 15.327 12.096 1.00 0.00 H new ATOM 858 N PRO A 51 13.301 12.363 13.980 1.00 0.00 N ATOM 859 CA PRO A 51 12.405 11.345 13.423 1.00 0.00 C ATOM 860 C PRO A 51 11.332 11.948 12.523 1.00 0.00 C ATOM 861 O PRO A 51 11.229 13.168 12.393 1.00 0.00 O ATOM 862 CB PRO A 51 11.771 10.718 14.665 1.00 0.00 C ATOM 863 CG PRO A 51 11.800 11.799 15.688 1.00 0.00 C ATOM 864 CD PRO A 51 13.046 12.599 15.414 1.00 0.00 C ATOM 0 HA PRO A 51 12.937 10.633 12.792 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.751 10.388 14.466 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.330 9.843 14.997 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.911 12.426 15.618 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.818 11.382 16.695 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.897 13.658 15.626 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.881 12.265 16.030 1.00 0.00 H new ATOM 872 N TRP A 52 10.532 11.085 11.904 1.00 0.00 N ATOM 873 CA TRP A 52 9.465 11.533 11.017 1.00 0.00 C ATOM 874 C TRP A 52 8.300 10.548 11.027 1.00 0.00 C ATOM 875 O TRP A 52 7.597 10.393 10.028 1.00 0.00 O ATOM 876 CB TRP A 52 9.997 11.704 9.592 1.00 0.00 C ATOM 877 CG TRP A 52 9.647 13.026 8.982 1.00 0.00 C ATOM 878 CD1 TRP A 52 8.430 13.410 8.496 1.00 0.00 C ATOM 879 CD2 TRP A 52 10.525 14.142 8.793 1.00 0.00 C ATOM 880 NE1 TRP A 52 8.498 14.696 8.016 1.00 0.00 N ATOM 881 CE2 TRP A 52 9.773 15.167 8.187 1.00 0.00 C ATOM 882 CE3 TRP A 52 11.873 14.375 9.078 1.00 0.00 C ATOM 883 CZ2 TRP A 52 10.325 16.404 7.862 1.00 0.00 C ATOM 884 CZ3 TRP A 52 12.420 15.603 8.754 1.00 0.00 C ATOM 885 CH2 TRP A 52 11.646 16.603 8.152 1.00 0.00 C ATOM 0 H TRP A 52 10.603 10.072 12.001 1.00 0.00 H new ATOM 0 HA TRP A 52 9.104 12.496 11.379 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.081 11.592 9.601 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.599 10.906 8.965 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.543 12.793 8.490 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.725 15.215 7.600 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.477 13.610 9.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.731 17.177 7.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.461 15.794 8.969 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.103 17.552 7.912 1.00 0.00 H new ATOM 896 N GLY A 53 8.103 9.883 12.161 1.00 0.00 N ATOM 897 CA GLY A 53 7.023 8.922 12.280 1.00 0.00 C ATOM 898 C GLY A 53 7.189 7.743 11.341 1.00 0.00 C ATOM 899 O GLY A 53 8.299 7.440 10.903 1.00 0.00 O ATOM 0 H GLY A 53 8.673 9.993 13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.974 8.560 13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.075 9.418 12.071 1.00 0.00 H new ATOM 903 N GLY A 54 6.081 7.076 11.032 1.00 0.00 N ATOM 904 CA GLY A 54 6.130 5.930 10.141 1.00 0.00 C ATOM 905 C GLY A 54 4.803 5.201 10.062 1.00 0.00 C ATOM 906 O GLY A 54 3.812 5.638 10.646 1.00 0.00 O ATOM 0 H GLY A 54 5.151 7.308 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.419 6.261 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.901 5.240 10.484 1.00 0.00 H new ATOM 910 N GLY A 55 4.785 4.087 9.339 1.00 0.00 N ATOM 911 CA GLY A 55 3.565 3.313 9.199 1.00 0.00 C ATOM 912 C GLY A 55 3.624 1.996 9.948 1.00 0.00 C ATOM 913 O GLY A 55 4.632 1.293 9.901 1.00 0.00 O ATOM 0 H GLY A 55 5.593 3.706 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.723 3.899 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.381 3.118 8.142 1.00 0.00 H new ATOM 917 N PHE A 56 2.540 1.663 10.641 1.00 0.00 N ATOM 918 CA PHE A 56 2.472 0.422 11.404 1.00 0.00 C ATOM 919 C PHE A 56 1.032 -0.068 11.519 1.00 0.00 C ATOM 920 O PHE A 56 0.116 0.718 11.763 1.00 0.00 O ATOM 921 CB PHE A 56 3.066 0.624 12.799 1.00 0.00 C ATOM 922 CG PHE A 56 3.790 -0.583 13.323 1.00 0.00 C ATOM 923 CD1 PHE A 56 4.733 -1.234 12.543 1.00 0.00 C ATOM 924 CD2 PHE A 56 3.529 -1.066 14.595 1.00 0.00 C ATOM 925 CE1 PHE A 56 5.401 -2.345 13.022 1.00 0.00 C ATOM 926 CE2 PHE A 56 4.194 -2.176 15.080 1.00 0.00 C ATOM 927 CZ PHE A 56 5.131 -2.817 14.292 1.00 0.00 C ATOM 0 H PHE A 56 1.697 2.235 10.690 1.00 0.00 H new ATOM 0 HA PHE A 56 3.053 -0.333 10.874 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.755 1.468 12.773 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.266 0.887 13.491 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.948 -0.869 11.550 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.797 -0.569 15.215 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.133 -2.844 12.404 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.982 -2.542 16.074 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.651 -3.685 14.668 1.00 0.00 H new ATOM 937 N GLY A 57 0.839 -1.370 11.339 1.00 0.00 N ATOM 938 CA GLY A 57 -0.492 -1.941 11.426 1.00 0.00 C ATOM 939 C GLY A 57 -0.471 -3.456 11.501 1.00 0.00 C ATOM 940 O GLY A 57 0.524 -4.049 11.918 1.00 0.00 O ATOM 0 H GLY A 57 1.580 -2.040 11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.997 -1.544 12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.074 -1.632 10.558 1.00 0.00 H new ATOM 944 N LEU A 58 -1.571 -4.082 11.097 1.00 0.00 N ATOM 945 CA LEU A 58 -1.674 -5.537 11.120 1.00 0.00 C ATOM 946 C LEU A 58 -2.376 -6.052 9.867 1.00 0.00 C ATOM 947 O LEU A 58 -2.804 -5.271 9.017 1.00 0.00 O ATOM 948 CB LEU A 58 -2.430 -5.995 12.368 1.00 0.00 C ATOM 949 CG LEU A 58 -2.036 -5.283 13.663 1.00 0.00 C ATOM 950 CD1 LEU A 58 -2.917 -4.067 13.892 1.00 0.00 C ATOM 951 CD2 LEU A 58 -2.125 -6.238 14.844 1.00 0.00 C ATOM 0 H LEU A 58 -2.403 -3.605 10.750 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.665 -5.948 11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.497 -5.849 12.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.271 -7.066 12.497 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.004 -4.946 13.570 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.622 -3.573 14.818 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.804 -3.373 13.059 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.958 -4.381 13.964 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.841 -5.715 15.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.147 -6.605 14.939 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.451 -7.079 14.683 1.00 0.00 H new ATOM 963 N SER A 59 -2.490 -7.371 9.760 1.00 0.00 N ATOM 964 CA SER A 59 -3.141 -7.991 8.611 1.00 0.00 C ATOM 965 C SER A 59 -3.978 -9.192 9.041 1.00 0.00 C ATOM 966 O SER A 59 -3.876 -9.658 10.176 1.00 0.00 O ATOM 967 CB SER A 59 -2.097 -8.426 7.581 1.00 0.00 C ATOM 968 OG SER A 59 -1.055 -9.167 8.192 1.00 0.00 O ATOM 0 H SER A 59 -2.140 -8.032 10.454 1.00 0.00 H new ATOM 0 HA SER A 59 -3.803 -7.253 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.573 -9.031 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.681 -7.548 7.087 1.00 0.00 H new ATOM 0 HG SER A 59 -0.402 -9.435 7.512 1.00 0.00 H new ATOM 974 N ARG A 60 -4.806 -9.688 8.127 1.00 0.00 N ATOM 975 CA ARG A 60 -5.660 -10.834 8.411 1.00 0.00 C ATOM 976 C ARG A 60 -5.961 -11.618 7.138 1.00 0.00 C ATOM 977 O ARG A 60 -5.821 -11.099 6.030 1.00 0.00 O ATOM 978 CB ARG A 60 -6.965 -10.375 9.062 1.00 0.00 C ATOM 979 CG ARG A 60 -7.800 -11.515 9.624 1.00 0.00 C ATOM 980 CD ARG A 60 -9.065 -11.003 10.291 1.00 0.00 C ATOM 981 NE ARG A 60 -9.945 -10.318 9.347 1.00 0.00 N ATOM 982 CZ ARG A 60 -11.236 -10.081 9.574 1.00 0.00 C ATOM 983 NH1 ARG A 60 -11.799 -10.470 10.711 1.00 0.00 N ATOM 984 NH2 ARG A 60 -11.963 -9.450 8.662 1.00 0.00 N ATOM 0 H ARG A 60 -4.903 -9.313 7.183 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.128 -11.489 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.734 -9.675 9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.557 -9.831 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.064 -12.204 8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.209 -12.078 10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.599 -11.838 10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.798 -10.321 11.098 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.547 -10.003 8.462 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.243 -10.953 11.416 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.788 -10.286 10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.534 -9.147 7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.952 -9.268 8.835 1.00 0.00 H new ATOM 998 N TRP A 61 -6.377 -12.869 7.303 1.00 0.00 N ATOM 999 CA TRP A 61 -6.699 -13.725 6.167 1.00 0.00 C ATOM 1000 C TRP A 61 -8.209 -13.872 6.010 1.00 0.00 C ATOM 1001 O TRP A 61 -8.934 -14.016 6.994 1.00 0.00 O ATOM 1002 CB TRP A 61 -6.055 -15.102 6.340 1.00 0.00 C ATOM 1003 CG TRP A 61 -5.640 -15.728 5.044 1.00 0.00 C ATOM 1004 CD1 TRP A 61 -6.463 -16.208 4.065 1.00 0.00 C ATOM 1005 CD2 TRP A 61 -4.302 -15.947 4.586 1.00 0.00 C ATOM 1006 NE1 TRP A 61 -5.717 -16.710 3.026 1.00 0.00 N ATOM 1007 CE2 TRP A 61 -4.387 -16.561 3.322 1.00 0.00 C ATOM 1008 CE3 TRP A 61 -3.038 -15.680 5.121 1.00 0.00 C ATOM 1009 CZ2 TRP A 61 -3.258 -16.912 2.587 1.00 0.00 C ATOM 1010 CZ3 TRP A 61 -1.918 -16.030 4.390 1.00 0.00 C ATOM 1011 CH2 TRP A 61 -2.034 -16.641 3.135 1.00 0.00 C ATOM 0 H TRP A 61 -6.499 -13.313 8.213 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.301 -13.258 5.266 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.182 -15.009 6.987 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.758 -15.763 6.847 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.542 -16.195 4.102 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -6.092 -17.126 2.173 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -2.938 -15.209 6.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.345 -17.382 1.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.937 -15.829 4.794 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.140 -16.903 2.589 1.00 0.00 H new ATOM 1022 N ASP A 62 -8.676 -13.835 4.766 1.00 0.00 N ATOM 1023 CA ASP A 62 -10.100 -13.964 4.481 1.00 0.00 C ATOM 1024 C ASP A 62 -10.407 -15.314 3.841 1.00 0.00 C ATOM 1025 O ASP A 62 -9.838 -15.667 2.808 1.00 0.00 O ATOM 1026 CB ASP A 62 -10.562 -12.830 3.564 1.00 0.00 C ATOM 1027 CG ASP A 62 -11.800 -12.129 4.090 1.00 0.00 C ATOM 1028 OD1 ASP A 62 -12.767 -12.829 4.456 1.00 0.00 O ATOM 1029 OD2 ASP A 62 -11.800 -10.882 4.136 1.00 0.00 O ATOM 0 H ASP A 62 -8.089 -13.717 3.940 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.642 -13.901 5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.756 -12.104 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.769 -13.230 2.571 1.00 0.00 H new ATOM 1035 N GLU A 63 -11.311 -16.064 4.464 1.00 0.00 N ATOM 1036 CA GLU A 63 -11.698 -17.378 3.960 1.00 0.00 C ATOM 1037 C GLU A 63 -12.280 -17.285 2.551 1.00 0.00 C ATOM 1038 O GLU A 63 -12.343 -18.282 1.831 1.00 0.00 O ATOM 1039 CB GLU A 63 -12.717 -18.026 4.900 1.00 0.00 C ATOM 1040 CG GLU A 63 -12.163 -18.326 6.283 1.00 0.00 C ATOM 1041 CD GLU A 63 -11.261 -19.545 6.297 1.00 0.00 C ATOM 1042 OE1 GLU A 63 -11.738 -20.631 6.689 1.00 0.00 O ATOM 1043 OE2 GLU A 63 -10.080 -19.414 5.917 1.00 0.00 O ATOM 0 H GLU A 63 -11.790 -15.784 5.320 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.801 -17.995 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.579 -17.366 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.074 -18.953 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.605 -17.461 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.990 -18.482 6.976 1.00 0.00 H new ATOM 1051 N LYS A 64 -12.705 -16.086 2.159 1.00 0.00 N ATOM 1052 CA LYS A 64 -13.281 -15.876 0.834 1.00 0.00 C ATOM 1053 C LYS A 64 -12.216 -15.440 -0.170 1.00 0.00 C ATOM 1054 O LYS A 64 -12.522 -14.776 -1.160 1.00 0.00 O ATOM 1055 CB LYS A 64 -14.393 -14.827 0.901 1.00 0.00 C ATOM 1056 CG LYS A 64 -15.360 -14.891 -0.269 1.00 0.00 C ATOM 1057 CD LYS A 64 -16.307 -13.701 -0.275 1.00 0.00 C ATOM 1058 CE LYS A 64 -15.768 -12.565 -1.129 1.00 0.00 C ATOM 1059 NZ LYS A 64 -14.444 -12.086 -0.645 1.00 0.00 N ATOM 0 H LYS A 64 -12.661 -15.248 2.738 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.700 -16.824 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.949 -14.958 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.943 -13.835 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.800 -14.917 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.936 -15.815 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.281 -14.012 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.459 -13.350 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.677 -12.899 -2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.478 -11.738 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.205 -11.191 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.484 -11.935 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.717 -12.797 -0.862 1.00 0.00 H new ATOM 1073 N GLY A 65 -10.967 -15.818 0.087 1.00 0.00 N ATOM 1074 CA GLY A 65 -9.885 -15.456 -0.808 1.00 0.00 C ATOM 1075 C GLY A 65 -9.584 -13.970 -0.785 1.00 0.00 C ATOM 1076 O GLY A 65 -9.471 -13.337 -1.834 1.00 0.00 O ATOM 0 H GLY A 65 -10.686 -16.368 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.988 -16.009 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.143 -15.755 -1.824 1.00 0.00 H new ATOM 1080 N ASN A 66 -9.452 -13.414 0.414 1.00 0.00 N ATOM 1081 CA ASN A 66 -9.161 -11.992 0.569 1.00 0.00 C ATOM 1082 C ASN A 66 -8.021 -11.775 1.559 1.00 0.00 C ATOM 1083 O ASN A 66 -7.760 -12.620 2.416 1.00 0.00 O ATOM 1084 CB ASN A 66 -10.411 -11.241 1.033 1.00 0.00 C ATOM 1085 CG ASN A 66 -10.783 -10.105 0.100 1.00 0.00 C ATOM 1086 OD1 ASN A 66 -10.359 -10.071 -1.055 1.00 0.00 O ATOM 1087 ND2 ASN A 66 -11.579 -9.166 0.599 1.00 0.00 N ATOM 0 H ASN A 66 -9.542 -13.925 1.292 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.853 -11.601 -0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.246 -11.939 1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.243 -10.845 2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.862 -8.376 0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.907 -9.235 1.562 1.00 0.00 H new ATOM 1094 N TRP A 67 -7.343 -10.639 1.434 1.00 0.00 N ATOM 1095 CA TRP A 67 -6.230 -10.311 2.318 1.00 0.00 C ATOM 1096 C TRP A 67 -6.427 -8.939 2.954 1.00 0.00 C ATOM 1097 O TRP A 67 -6.144 -7.911 2.339 1.00 0.00 O ATOM 1098 CB TRP A 67 -4.911 -10.346 1.542 1.00 0.00 C ATOM 1099 CG TRP A 67 -3.852 -11.169 2.208 1.00 0.00 C ATOM 1100 CD1 TRP A 67 -3.947 -12.478 2.584 1.00 0.00 C ATOM 1101 CD2 TRP A 67 -2.538 -10.739 2.581 1.00 0.00 C ATOM 1102 NE1 TRP A 67 -2.773 -12.889 3.166 1.00 0.00 N ATOM 1103 CE2 TRP A 67 -1.892 -11.839 3.176 1.00 0.00 C ATOM 1104 CE3 TRP A 67 -1.845 -9.530 2.468 1.00 0.00 C ATOM 1105 CZ2 TRP A 67 -0.587 -11.766 3.656 1.00 0.00 C ATOM 1106 CZ3 TRP A 67 -0.549 -9.459 2.946 1.00 0.00 C ATOM 1107 CH2 TRP A 67 0.068 -10.571 3.533 1.00 0.00 C ATOM 0 H TRP A 67 -7.545 -9.930 0.729 1.00 0.00 H new ATOM 0 HA TRP A 67 -6.195 -11.056 3.113 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.095 -10.743 0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.544 -9.327 1.417 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -4.819 -13.100 2.444 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.587 -13.823 3.531 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.313 -8.668 2.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.109 -12.622 4.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.004 -8.530 2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.081 -10.483 3.896 1.00 0.00 H new ATOM 1118 N HIS A 68 -6.914 -8.930 4.191 1.00 0.00 N ATOM 1119 CA HIS A 68 -7.148 -7.684 4.911 1.00 0.00 C ATOM 1120 C HIS A 68 -5.828 -7.039 5.324 1.00 0.00 C ATOM 1121 O HIS A 68 -4.940 -7.706 5.856 1.00 0.00 O ATOM 1122 CB HIS A 68 -8.012 -7.939 6.147 1.00 0.00 C ATOM 1123 CG HIS A 68 -8.562 -6.690 6.762 1.00 0.00 C ATOM 1124 ND1 HIS A 68 -9.911 -6.472 6.945 1.00 0.00 N ATOM 1125 CD2 HIS A 68 -7.938 -5.587 7.237 1.00 0.00 C ATOM 1126 CE1 HIS A 68 -10.093 -5.289 7.506 1.00 0.00 C ATOM 1127 NE2 HIS A 68 -8.911 -4.732 7.693 1.00 0.00 N ATOM 0 H HIS A 68 -7.154 -9.771 4.715 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.673 -7.001 4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.839 -8.594 5.873 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.419 -8.470 6.892 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.872 -5.412 7.254 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.046 -4.853 7.767 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.747 -3.815 8.109 1.00 0.00 H new ATOM 1136 N GLY A 69 -5.706 -5.739 5.074 1.00 0.00 N ATOM 1137 CA GLY A 69 -4.490 -5.030 5.425 1.00 0.00 C ATOM 1138 C GLY A 69 -4.767 -3.673 6.043 1.00 0.00 C ATOM 1139 O GLY A 69 -5.217 -2.753 5.361 1.00 0.00 O ATOM 0 H GLY A 69 -6.426 -5.165 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.911 -5.633 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.878 -4.901 4.532 1.00 0.00 H new ATOM 1143 N LEU A 70 -4.495 -3.550 7.338 1.00 0.00 N ATOM 1144 CA LEU A 70 -4.714 -2.296 8.050 1.00 0.00 C ATOM 1145 C LEU A 70 -3.393 -1.573 8.289 1.00 0.00 C ATOM 1146 O LEU A 70 -2.465 -2.132 8.874 1.00 0.00 O ATOM 1147 CB LEU A 70 -5.416 -2.557 9.383 1.00 0.00 C ATOM 1148 CG LEU A 70 -6.423 -1.486 9.806 1.00 0.00 C ATOM 1149 CD1 LEU A 70 -7.480 -2.080 10.725 1.00 0.00 C ATOM 1150 CD2 LEU A 70 -5.711 -0.328 10.488 1.00 0.00 C ATOM 0 H LEU A 70 -4.123 -4.303 7.916 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.350 -1.661 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.932 -3.515 9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.660 -2.651 10.162 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.920 -1.107 8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.188 -1.303 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.010 -2.877 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.001 -2.486 11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.441 0.425 10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.188 -0.692 11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.992 0.114 9.798 1.00 0.00 H new ATOM 1162 N TYR A 71 -3.313 -0.326 7.833 1.00 0.00 N ATOM 1163 CA TYR A 71 -2.102 0.470 7.998 1.00 0.00 C ATOM 1164 C TYR A 71 -2.377 1.723 8.821 1.00 0.00 C ATOM 1165 O TYR A 71 -3.239 2.531 8.474 1.00 0.00 O ATOM 1166 CB TYR A 71 -1.534 0.858 6.631 1.00 0.00 C ATOM 1167 CG TYR A 71 -2.539 1.532 5.723 1.00 0.00 C ATOM 1168 CD1 TYR A 71 -3.507 0.790 5.058 1.00 0.00 C ATOM 1169 CD2 TYR A 71 -2.519 2.907 5.533 1.00 0.00 C ATOM 1170 CE1 TYR A 71 -4.428 1.401 4.228 1.00 0.00 C ATOM 1171 CE2 TYR A 71 -3.437 3.526 4.704 1.00 0.00 C ATOM 1172 CZ TYR A 71 -4.388 2.768 4.054 1.00 0.00 C ATOM 1173 OH TYR A 71 -5.303 3.380 3.228 1.00 0.00 O ATOM 0 H TYR A 71 -4.071 0.154 7.347 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.370 -0.136 8.532 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.685 1.525 6.777 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.155 -0.037 6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.540 -0.281 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.775 3.503 6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.175 0.811 3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.409 4.597 4.567 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.138 4.346 3.216 1.00 0.00 H new ATOM 1183 N ALA A 72 -1.636 1.879 9.914 1.00 0.00 N ATOM 1184 CA ALA A 72 -1.795 3.034 10.789 1.00 0.00 C ATOM 1185 C ALA A 72 -0.470 3.770 10.964 1.00 0.00 C ATOM 1186 O ALA A 72 0.452 3.264 11.604 1.00 0.00 O ATOM 1187 CB ALA A 72 -2.344 2.602 12.141 1.00 0.00 C ATOM 0 H ALA A 72 -0.919 1.219 10.214 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.505 3.718 10.325 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.457 3.475 12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.314 2.124 12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.654 1.897 12.605 1.00 0.00 H new ATOM 1193 N MET A 73 -0.381 4.964 10.388 1.00 0.00 N ATOM 1194 CA MET A 73 0.834 5.765 10.477 1.00 0.00 C ATOM 1195 C MET A 73 0.659 6.920 11.458 1.00 0.00 C ATOM 1196 O MET A 73 -0.415 7.107 12.030 1.00 0.00 O ATOM 1197 CB MET A 73 1.215 6.307 9.098 1.00 0.00 C ATOM 1198 CG MET A 73 1.114 5.273 7.988 1.00 0.00 C ATOM 1199 SD MET A 73 2.443 5.420 6.777 1.00 0.00 S ATOM 1200 CE MET A 73 2.072 4.040 5.698 1.00 0.00 C ATOM 0 H MET A 73 -1.135 5.398 9.855 1.00 0.00 H new ATOM 0 HA MET A 73 1.634 5.122 10.843 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.568 7.151 8.857 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.235 6.688 9.136 1.00 0.00 H new ATOM 0 HG2 MET A 73 1.134 4.274 8.424 1.00 0.00 H new ATOM 0 HG3 MET A 73 0.154 5.381 7.483 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.992 3.683 5.235 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.622 3.235 6.279 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.376 4.361 4.923 1.00 0.00 H new ATOM 1210 N ALA A 74 1.725 7.692 11.646 1.00 0.00 N ATOM 1211 CA ALA A 74 1.696 8.831 12.556 1.00 0.00 C ATOM 1212 C ALA A 74 2.815 9.815 12.231 1.00 0.00 C ATOM 1213 O ALA A 74 3.873 9.424 11.738 1.00 0.00 O ATOM 1214 CB ALA A 74 1.806 8.359 13.998 1.00 0.00 C ATOM 0 H ALA A 74 2.621 7.549 11.179 1.00 0.00 H new ATOM 0 HA ALA A 74 0.744 9.346 12.428 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.783 9.220 14.666 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.971 7.698 14.229 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.743 7.820 14.134 1.00 0.00 H new ATOM 1220 N PHE A 75 2.575 11.092 12.508 1.00 0.00 N ATOM 1221 CA PHE A 75 3.565 12.129 12.242 1.00 0.00 C ATOM 1222 C PHE A 75 3.656 13.111 13.406 1.00 0.00 C ATOM 1223 O PHE A 75 2.646 13.657 13.850 1.00 0.00 O ATOM 1224 CB PHE A 75 3.218 12.877 10.954 1.00 0.00 C ATOM 1225 CG PHE A 75 2.886 11.968 9.804 1.00 0.00 C ATOM 1226 CD1 PHE A 75 3.891 11.329 9.097 1.00 0.00 C ATOM 1227 CD2 PHE A 75 1.569 11.753 9.431 1.00 0.00 C ATOM 1228 CE1 PHE A 75 3.590 10.493 8.038 1.00 0.00 C ATOM 1229 CE2 PHE A 75 1.261 10.917 8.374 1.00 0.00 C ATOM 1230 CZ PHE A 75 2.273 10.287 7.676 1.00 0.00 C ATOM 0 H PHE A 75 1.705 11.433 12.916 1.00 0.00 H new ATOM 0 HA PHE A 75 4.535 11.646 12.124 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.370 13.536 11.143 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.059 13.512 10.674 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.922 11.486 9.376 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.774 12.244 9.972 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.383 10.002 7.494 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.230 10.757 8.094 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.035 9.635 6.849 1.00 0.00 H new ATOM 1240 N LYS A 76 4.872 13.331 13.893 1.00 0.00 N ATOM 1241 CA LYS A 76 5.098 14.249 15.004 1.00 0.00 C ATOM 1242 C LYS A 76 5.372 15.661 14.494 1.00 0.00 C ATOM 1243 O LYS A 76 6.500 15.991 14.129 1.00 0.00 O ATOM 1244 CB LYS A 76 6.268 13.763 15.863 1.00 0.00 C ATOM 1245 CG LYS A 76 5.839 13.157 17.189 1.00 0.00 C ATOM 1246 CD LYS A 76 5.430 11.702 17.031 1.00 0.00 C ATOM 1247 CE LYS A 76 6.640 10.782 17.037 1.00 0.00 C ATOM 1248 NZ LYS A 76 7.020 10.371 18.417 1.00 0.00 N ATOM 0 H LYS A 76 5.717 12.886 13.536 1.00 0.00 H new ATOM 0 HA LYS A 76 4.196 14.274 15.615 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.837 13.022 15.301 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.939 14.600 16.056 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.657 13.230 17.905 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.005 13.728 17.598 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.755 11.423 17.840 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.880 11.576 16.098 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.424 9.895 16.441 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.482 11.287 16.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.849 9.745 18.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.251 11.215 18.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.226 9.866 18.860 1.00 0.00 H new ATOM 1262 N ASP A 77 4.333 16.488 14.472 1.00 0.00 N ATOM 1263 CA ASP A 77 4.462 17.864 14.007 1.00 0.00 C ATOM 1264 C ASP A 77 5.273 18.699 14.993 1.00 0.00 C ATOM 1265 O ASP A 77 5.292 18.419 16.192 1.00 0.00 O ATOM 1266 CB ASP A 77 3.080 18.489 13.809 1.00 0.00 C ATOM 1267 CG ASP A 77 2.228 18.416 15.061 1.00 0.00 C ATOM 1268 OD1 ASP A 77 2.801 18.418 16.171 1.00 0.00 O ATOM 1269 OD2 ASP A 77 0.986 18.359 14.931 1.00 0.00 O ATOM 0 H ASP A 77 3.392 16.230 14.771 1.00 0.00 H new ATOM 0 HA ASP A 77 4.988 17.850 13.052 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.195 19.531 13.511 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.567 17.979 12.993 1.00 0.00 H new ATOM 1275 N SER A 78 5.944 19.726 14.478 1.00 0.00 N ATOM 1276 CA SER A 78 6.758 20.603 15.312 1.00 0.00 C ATOM 1277 C SER A 78 5.915 21.272 16.394 1.00 0.00 C ATOM 1278 O SER A 78 6.442 21.722 17.412 1.00 0.00 O ATOM 1279 CB SER A 78 7.441 21.667 14.450 1.00 0.00 C ATOM 1280 OG SER A 78 6.522 22.672 14.057 1.00 0.00 O ATOM 0 H SER A 78 5.940 19.970 13.488 1.00 0.00 H new ATOM 0 HA SER A 78 7.519 19.993 15.800 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.262 22.118 15.007 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.874 21.200 13.566 1.00 0.00 H new ATOM 0 HG SER A 78 6.983 23.341 13.509 1.00 0.00 H new ATOM 1286 N TRP A 79 4.604 21.338 16.169 1.00 0.00 N ATOM 1287 CA TRP A 79 3.692 21.954 17.128 1.00 0.00 C ATOM 1288 C TRP A 79 3.863 21.345 18.518 1.00 0.00 C ATOM 1289 O TRP A 79 4.339 22.006 19.441 1.00 0.00 O ATOM 1290 CB TRP A 79 2.244 21.793 16.659 1.00 0.00 C ATOM 1291 CG TRP A 79 1.530 23.097 16.474 1.00 0.00 C ATOM 1292 CD1 TRP A 79 0.594 23.644 17.303 1.00 0.00 C ATOM 1293 CD2 TRP A 79 1.695 24.018 15.390 1.00 0.00 C ATOM 1294 NE1 TRP A 79 0.166 24.849 16.801 1.00 0.00 N ATOM 1295 CE2 TRP A 79 0.827 25.101 15.627 1.00 0.00 C ATOM 1296 CE3 TRP A 79 2.493 24.034 14.243 1.00 0.00 C ATOM 1297 CZ2 TRP A 79 0.736 26.187 14.760 1.00 0.00 C ATOM 1298 CZ3 TRP A 79 2.400 25.111 13.381 1.00 0.00 C ATOM 1299 CH2 TRP A 79 1.528 26.175 13.644 1.00 0.00 C ATOM 0 H TRP A 79 4.151 20.973 15.331 1.00 0.00 H new ATOM 0 HA TRP A 79 3.932 23.016 17.189 1.00 0.00 H new ATOM 0 HB2 TRP A 79 2.234 21.245 15.717 1.00 0.00 H new ATOM 0 HB3 TRP A 79 1.700 21.189 17.385 1.00 0.00 H new ATOM 0 HD1 TRP A 79 0.241 23.195 18.220 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -0.530 25.457 17.232 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.170 23.219 14.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.065 27.009 14.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 3.010 25.132 12.490 1.00 0.00 H new ATOM 0 HH2 TRP A 79 1.480 27.003 12.952 1.00 0.00 H new ATOM 1310 N ASN A 80 3.473 20.083 18.658 1.00 0.00 N ATOM 1311 CA ASN A 80 3.584 19.387 19.936 1.00 0.00 C ATOM 1312 C ASN A 80 3.143 17.932 19.805 1.00 0.00 C ATOM 1313 O ASN A 80 3.973 17.023 19.768 1.00 0.00 O ATOM 1314 CB ASN A 80 2.743 20.096 21.001 1.00 0.00 C ATOM 1315 CG ASN A 80 3.597 20.853 22.001 1.00 0.00 C ATOM 1316 OD1 ASN A 80 3.795 22.062 21.875 1.00 0.00 O ATOM 1317 ND2 ASN A 80 4.107 20.143 23.000 1.00 0.00 N ATOM 0 H ASN A 80 3.078 19.521 17.904 1.00 0.00 H new ATOM 0 HA ASN A 80 4.631 19.402 20.240 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.056 20.789 20.516 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.135 19.361 21.529 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.690 20.597 23.703 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.916 19.143 23.064 1.00 0.00 H new ATOM 1324 N LYS A 81 1.833 17.719 19.737 1.00 0.00 N ATOM 1325 CA LYS A 81 1.283 16.374 19.613 1.00 0.00 C ATOM 1326 C LYS A 81 1.310 15.904 18.162 1.00 0.00 C ATOM 1327 O LYS A 81 1.293 16.714 17.235 1.00 0.00 O ATOM 1328 CB LYS A 81 -0.149 16.335 20.146 1.00 0.00 C ATOM 1329 CG LYS A 81 -0.527 15.007 20.781 1.00 0.00 C ATOM 1330 CD LYS A 81 -2.017 14.929 21.067 1.00 0.00 C ATOM 1331 CE LYS A 81 -2.831 14.928 19.782 1.00 0.00 C ATOM 1332 NZ LYS A 81 -4.032 14.055 19.886 1.00 0.00 N ATOM 0 H LYS A 81 1.133 18.460 19.766 1.00 0.00 H new ATOM 0 HA LYS A 81 1.903 15.701 20.205 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.275 17.129 20.882 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.838 16.546 19.328 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.240 14.191 20.118 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.030 14.875 21.709 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.233 14.025 21.636 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.315 15.775 21.687 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.142 15.946 19.548 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.206 14.588 18.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.559 14.082 18.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.735 13.078 20.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.642 14.394 20.657 1.00 0.00 H new ATOM 1346 N TRP A 82 1.352 14.589 17.973 1.00 0.00 N ATOM 1347 CA TRP A 82 1.381 14.008 16.636 1.00 0.00 C ATOM 1348 C TRP A 82 -0.028 13.675 16.157 1.00 0.00 C ATOM 1349 O TRP A 82 -0.939 13.486 16.963 1.00 0.00 O ATOM 1350 CB TRP A 82 2.247 12.748 16.624 1.00 0.00 C ATOM 1351 CG TRP A 82 1.752 11.677 17.548 1.00 0.00 C ATOM 1352 CD1 TRP A 82 0.768 10.765 17.294 1.00 0.00 C ATOM 1353 CD2 TRP A 82 2.215 11.408 18.877 1.00 0.00 C ATOM 1354 NE1 TRP A 82 0.592 9.945 18.382 1.00 0.00 N ATOM 1355 CE2 TRP A 82 1.469 10.319 19.366 1.00 0.00 C ATOM 1356 CE3 TRP A 82 3.190 11.981 19.699 1.00 0.00 C ATOM 1357 CZ2 TRP A 82 1.667 9.794 20.641 1.00 0.00 C ATOM 1358 CZ3 TRP A 82 3.385 11.458 20.963 1.00 0.00 C ATOM 1359 CH2 TRP A 82 2.627 10.374 21.423 1.00 0.00 C ATOM 0 H TRP A 82 1.367 13.905 18.730 1.00 0.00 H new ATOM 0 HA TRP A 82 1.812 14.743 15.957 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.286 12.352 15.609 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.267 13.014 16.902 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.209 10.698 16.372 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -0.082 9.182 18.447 1.00 0.00 H new ATOM 0 HE3 TRP A 82 3.780 12.817 19.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.083 8.959 20.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 4.135 11.893 21.607 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.804 9.988 22.416 1.00 0.00 H new ATOM 1370 N GLU A 83 -0.201 13.605 14.841 1.00 0.00 N ATOM 1371 CA GLU A 83 -1.500 13.294 14.257 1.00 0.00 C ATOM 1372 C GLU A 83 -1.523 11.868 13.706 1.00 0.00 C ATOM 1373 O GLU A 83 -0.680 11.500 12.888 1.00 0.00 O ATOM 1374 CB GLU A 83 -1.831 14.287 13.142 1.00 0.00 C ATOM 1375 CG GLU A 83 -2.256 15.655 13.650 1.00 0.00 C ATOM 1376 CD GLU A 83 -3.013 16.454 12.608 1.00 0.00 C ATOM 1377 OE1 GLU A 83 -2.634 17.618 12.362 1.00 0.00 O ATOM 1378 OE2 GLU A 83 -3.986 15.916 12.038 1.00 0.00 O ATOM 0 H GLU A 83 0.542 13.759 14.159 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.252 13.374 15.042 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.958 14.403 12.499 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.629 13.874 12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.882 15.532 14.534 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.373 16.214 13.960 1.00 0.00 H new ATOM 1386 N PRO A 84 -2.489 11.041 14.149 1.00 0.00 N ATOM 1387 CA PRO A 84 -2.610 9.656 13.695 1.00 0.00 C ATOM 1388 C PRO A 84 -3.344 9.542 12.362 1.00 0.00 C ATOM 1389 O PRO A 84 -3.913 10.517 11.870 1.00 0.00 O ATOM 1390 CB PRO A 84 -3.425 9.008 14.809 1.00 0.00 C ATOM 1391 CG PRO A 84 -4.306 10.101 15.311 1.00 0.00 C ATOM 1392 CD PRO A 84 -3.538 11.388 15.130 1.00 0.00 C ATOM 0 HA PRO A 84 -1.640 9.191 13.521 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.009 8.167 14.436 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.781 8.623 15.599 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.244 10.128 14.757 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.559 9.945 16.360 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.180 12.188 14.762 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.107 11.732 16.070 1.00 0.00 H new ATOM 1400 N ILE A 85 -3.328 8.346 11.785 1.00 0.00 N ATOM 1401 CA ILE A 85 -3.993 8.103 10.510 1.00 0.00 C ATOM 1402 C ILE A 85 -4.345 6.626 10.350 1.00 0.00 C ATOM 1403 O ILE A 85 -3.465 5.767 10.327 1.00 0.00 O ATOM 1404 CB ILE A 85 -3.116 8.550 9.323 1.00 0.00 C ATOM 1405 CG1 ILE A 85 -3.883 8.400 8.007 1.00 0.00 C ATOM 1406 CG2 ILE A 85 -1.820 7.750 9.283 1.00 0.00 C ATOM 1407 CD1 ILE A 85 -3.630 9.527 7.029 1.00 0.00 C ATOM 0 H ILE A 85 -2.862 7.529 12.180 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.910 8.693 10.510 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.863 9.602 9.457 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.606 7.455 7.540 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.950 8.348 8.222 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.215 8.080 8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.267 7.907 10.209 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.050 6.690 9.173 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.205 9.355 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.934 10.473 7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.568 9.566 6.785 1.00 0.00 H new ATOM 1419 N ALA A 86 -5.639 6.340 10.239 1.00 0.00 N ATOM 1420 CA ALA A 86 -6.105 4.968 10.081 1.00 0.00 C ATOM 1421 C ALA A 86 -6.283 4.613 8.609 1.00 0.00 C ATOM 1422 O ALA A 86 -6.675 5.454 7.800 1.00 0.00 O ATOM 1423 CB ALA A 86 -7.412 4.766 10.836 1.00 0.00 C ATOM 0 H ALA A 86 -6.381 7.039 10.256 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.349 4.303 10.498 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.750 3.737 10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.255 4.969 11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.168 5.446 10.444 1.00 0.00 H new ATOM 1429 N GLY A 87 -5.992 3.362 8.268 1.00 0.00 N ATOM 1430 CA GLY A 87 -6.125 2.918 6.893 1.00 0.00 C ATOM 1431 C GLY A 87 -6.682 1.511 6.789 1.00 0.00 C ATOM 1432 O GLY A 87 -6.271 0.617 7.526 1.00 0.00 O ATOM 0 H GLY A 87 -5.666 2.648 8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.778 3.605 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.151 2.957 6.406 1.00 0.00 H new ATOM 1436 N TYR A 88 -7.622 1.317 5.868 1.00 0.00 N ATOM 1437 CA TYR A 88 -8.236 0.010 5.669 1.00 0.00 C ATOM 1438 C TYR A 88 -8.343 -0.319 4.183 1.00 0.00 C ATOM 1439 O TYR A 88 -9.077 0.336 3.442 1.00 0.00 O ATOM 1440 CB TYR A 88 -9.624 -0.028 6.312 1.00 0.00 C ATOM 1441 CG TYR A 88 -9.667 0.575 7.698 1.00 0.00 C ATOM 1442 CD1 TYR A 88 -9.865 1.937 7.878 1.00 0.00 C ATOM 1443 CD2 TYR A 88 -9.509 -0.221 8.827 1.00 0.00 C ATOM 1444 CE1 TYR A 88 -9.905 2.491 9.144 1.00 0.00 C ATOM 1445 CE2 TYR A 88 -9.548 0.326 10.096 1.00 0.00 C ATOM 1446 CZ TYR A 88 -9.747 1.682 10.249 1.00 0.00 C ATOM 1447 OH TYR A 88 -9.785 2.230 11.510 1.00 0.00 O ATOM 0 H TYR A 88 -7.974 2.048 5.249 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.602 -0.738 6.145 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.327 0.505 5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.962 -1.063 6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.990 2.574 7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.353 -1.283 8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.059 3.553 9.267 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.423 -0.305 10.963 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.658 1.524 12.178 1.00 0.00 H new ATOM 1457 N GLY A 89 -7.605 -1.338 3.753 1.00 0.00 N ATOM 1458 CA GLY A 89 -7.630 -1.735 2.358 1.00 0.00 C ATOM 1459 C GLY A 89 -7.733 -3.237 2.183 1.00 0.00 C ATOM 1460 O GLY A 89 -7.546 -3.995 3.136 1.00 0.00 O ATOM 0 H GLY A 89 -6.990 -1.895 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.475 -1.256 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.726 -1.376 1.865 1.00 0.00 H new ATOM 1464 N TRP A 90 -8.032 -3.670 0.963 1.00 0.00 N ATOM 1465 CA TRP A 90 -8.160 -5.092 0.664 1.00 0.00 C ATOM 1466 C TRP A 90 -7.447 -5.440 -0.638 1.00 0.00 C ATOM 1467 O TRP A 90 -7.665 -4.801 -1.667 1.00 0.00 O ATOM 1468 CB TRP A 90 -9.635 -5.484 0.571 1.00 0.00 C ATOM 1469 CG TRP A 90 -10.391 -4.714 -0.468 1.00 0.00 C ATOM 1470 CD1 TRP A 90 -10.557 -3.360 -0.526 1.00 0.00 C ATOM 1471 CD2 TRP A 90 -11.083 -5.254 -1.599 1.00 0.00 C ATOM 1472 NE1 TRP A 90 -11.311 -3.025 -1.625 1.00 0.00 N ATOM 1473 CE2 TRP A 90 -11.646 -4.170 -2.300 1.00 0.00 C ATOM 1474 CE3 TRP A 90 -11.282 -6.548 -2.089 1.00 0.00 C ATOM 1475 CZ2 TRP A 90 -12.393 -4.341 -3.463 1.00 0.00 C ATOM 1476 CZ3 TRP A 90 -12.023 -6.717 -3.244 1.00 0.00 C ATOM 1477 CH2 TRP A 90 -12.571 -5.619 -3.920 1.00 0.00 C ATOM 0 H TRP A 90 -8.190 -3.056 0.164 1.00 0.00 H new ATOM 0 HA TRP A 90 -7.693 -5.652 1.474 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.707 -6.548 0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -10.106 -5.329 1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.155 -2.656 0.187 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -11.578 -2.078 -1.895 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -10.864 -7.401 -1.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -12.816 -3.496 -3.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -12.182 -7.712 -3.632 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -13.145 -5.784 -4.820 1.00 0.00 H new ATOM 1488 N GLU A 91 -6.592 -6.458 -0.586 1.00 0.00 N ATOM 1489 CA GLU A 91 -5.848 -6.890 -1.762 1.00 0.00 C ATOM 1490 C GLU A 91 -5.792 -8.413 -1.842 1.00 0.00 C ATOM 1491 O GLU A 91 -5.865 -9.102 -0.825 1.00 0.00 O ATOM 1492 CB GLU A 91 -4.429 -6.318 -1.731 1.00 0.00 C ATOM 1493 CG GLU A 91 -3.632 -6.732 -0.505 1.00 0.00 C ATOM 1494 CD GLU A 91 -3.690 -5.700 0.603 1.00 0.00 C ATOM 1495 OE1 GLU A 91 -2.688 -5.559 1.336 1.00 0.00 O ATOM 1496 OE2 GLU A 91 -4.737 -5.032 0.739 1.00 0.00 O ATOM 0 H GLU A 91 -6.398 -6.998 0.258 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.365 -6.516 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.897 -6.641 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.484 -5.230 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.014 -7.682 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.593 -6.896 -0.790 1.00 0.00 H new ATOM 1504 N SER A 92 -5.662 -8.931 -3.060 1.00 0.00 N ATOM 1505 CA SER A 92 -5.595 -10.372 -3.274 1.00 0.00 C ATOM 1506 C SER A 92 -4.177 -10.803 -3.633 1.00 0.00 C ATOM 1507 O SER A 92 -3.572 -10.268 -4.562 1.00 0.00 O ATOM 1508 CB SER A 92 -6.564 -10.789 -4.382 1.00 0.00 C ATOM 1509 OG SER A 92 -7.841 -11.100 -3.854 1.00 0.00 O ATOM 0 H SER A 92 -5.601 -8.374 -3.913 1.00 0.00 H new ATOM 0 HA SER A 92 -5.881 -10.866 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.655 -9.984 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.165 -11.655 -4.911 1.00 0.00 H new ATOM 0 HG SER A 92 -8.442 -11.362 -4.583 1.00 0.00 H new ATOM 1515 N THR A 93 -3.653 -11.773 -2.891 1.00 0.00 N ATOM 1516 CA THR A 93 -2.305 -12.275 -3.130 1.00 0.00 C ATOM 1517 C THR A 93 -2.343 -13.697 -3.682 1.00 0.00 C ATOM 1518 O THR A 93 -3.154 -14.518 -3.254 1.00 0.00 O ATOM 1519 CB THR A 93 -1.487 -12.240 -1.839 1.00 0.00 C ATOM 1520 OG1 THR A 93 -2.281 -12.631 -0.733 1.00 0.00 O ATOM 1521 CG2 THR A 93 -0.912 -10.875 -1.532 1.00 0.00 C ATOM 0 H THR A 93 -4.141 -12.227 -2.119 1.00 0.00 H new ATOM 0 HA THR A 93 -1.831 -11.629 -3.869 1.00 0.00 H new ATOM 0 HB THR A 93 -0.663 -12.935 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.740 -12.604 0.084 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.343 -10.920 -0.603 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.255 -10.566 -2.345 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.723 -10.154 -1.426 1.00 0.00 H new ATOM 1529 N TRP A 94 -1.460 -13.981 -4.634 1.00 0.00 N ATOM 1530 CA TRP A 94 -1.393 -15.304 -5.243 1.00 0.00 C ATOM 1531 C TRP A 94 0.010 -15.889 -5.119 1.00 0.00 C ATOM 1532 O TRP A 94 1.004 -15.202 -5.357 1.00 0.00 O ATOM 1533 CB TRP A 94 -1.797 -15.232 -6.717 1.00 0.00 C ATOM 1534 CG TRP A 94 -2.110 -16.571 -7.312 1.00 0.00 C ATOM 1535 CD1 TRP A 94 -3.036 -17.470 -6.865 1.00 0.00 C ATOM 1536 CD2 TRP A 94 -1.498 -17.163 -8.463 1.00 0.00 C ATOM 1537 NE1 TRP A 94 -3.035 -18.585 -7.668 1.00 0.00 N ATOM 1538 CE2 TRP A 94 -2.100 -18.422 -8.656 1.00 0.00 C ATOM 1539 CE3 TRP A 94 -0.498 -16.753 -9.350 1.00 0.00 C ATOM 1540 CZ2 TRP A 94 -1.736 -19.270 -9.698 1.00 0.00 C ATOM 1541 CZ3 TRP A 94 -0.137 -17.596 -10.385 1.00 0.00 C ATOM 1542 CH2 TRP A 94 -0.755 -18.842 -10.551 1.00 0.00 C ATOM 0 H TRP A 94 -0.782 -13.313 -5.000 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.089 -15.955 -4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -2.669 -14.585 -6.816 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.990 -14.769 -7.285 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -3.675 -17.326 -6.006 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -3.634 -19.402 -7.548 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.016 -15.794 -9.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.211 -20.231 -9.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 0.634 -17.289 -11.076 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -0.451 -19.478 -11.369 1.00 0.00 H new ATOM 1553 N ARG A 95 0.085 -17.161 -4.743 1.00 0.00 N ATOM 1554 CA ARG A 95 1.366 -17.840 -4.587 1.00 0.00 C ATOM 1555 C ARG A 95 1.529 -18.945 -5.628 1.00 0.00 C ATOM 1556 O ARG A 95 0.544 -19.479 -6.137 1.00 0.00 O ATOM 1557 CB ARG A 95 1.489 -18.426 -3.178 1.00 0.00 C ATOM 1558 CG ARG A 95 0.218 -19.098 -2.684 1.00 0.00 C ATOM 1559 CD ARG A 95 -0.156 -20.290 -3.550 1.00 0.00 C ATOM 1560 NE ARG A 95 -0.908 -21.297 -2.802 1.00 0.00 N ATOM 1561 CZ ARG A 95 -2.197 -21.181 -2.493 1.00 0.00 C ATOM 1562 NH1 ARG A 95 -2.883 -20.106 -2.865 1.00 0.00 N ATOM 1563 NH2 ARG A 95 -2.804 -22.142 -1.811 1.00 0.00 N ATOM 0 H ARG A 95 -0.728 -17.743 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 95 2.158 -17.106 -4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.302 -19.152 -3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.762 -17.630 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.355 -19.425 -1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.599 -18.377 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.750 -19.950 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.749 -20.741 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.415 -22.137 -2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.422 -19.363 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.871 -20.023 -2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.283 -22.970 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.792 -22.053 -1.574 1.00 0.00 H new ATOM 1577 N PRO A 96 2.782 -19.304 -5.957 1.00 0.00 N ATOM 1578 CA PRO A 96 3.068 -20.353 -6.941 1.00 0.00 C ATOM 1579 C PRO A 96 2.692 -21.740 -6.433 1.00 0.00 C ATOM 1580 O PRO A 96 2.517 -21.945 -5.232 1.00 0.00 O ATOM 1581 CB PRO A 96 4.581 -20.249 -7.144 1.00 0.00 C ATOM 1582 CG PRO A 96 5.092 -19.651 -5.878 1.00 0.00 C ATOM 1583 CD PRO A 96 4.014 -18.720 -5.396 1.00 0.00 C ATOM 0 HA PRO A 96 2.493 -20.220 -7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.024 -21.228 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.823 -19.624 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.300 -20.423 -5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.025 -19.113 -6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.978 -18.676 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.174 -17.702 -5.751 1.00 0.00 H new ATOM 1591 N LEU A 97 2.570 -22.690 -7.353 1.00 0.00 N ATOM 1592 CA LEU A 97 2.215 -24.059 -6.997 1.00 0.00 C ATOM 1593 C LEU A 97 3.465 -24.894 -6.734 1.00 0.00 C ATOM 1594 O LEU A 97 3.825 -25.759 -7.533 1.00 0.00 O ATOM 1595 CB LEU A 97 1.380 -24.699 -8.109 1.00 0.00 C ATOM 1596 CG LEU A 97 1.915 -24.482 -9.526 1.00 0.00 C ATOM 1597 CD1 LEU A 97 1.675 -25.717 -10.382 1.00 0.00 C ATOM 1598 CD2 LEU A 97 1.266 -23.261 -10.158 1.00 0.00 C ATOM 0 H LEU A 97 2.712 -22.537 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 97 1.623 -24.029 -6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.314 -25.771 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.366 -24.303 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 97 2.990 -24.309 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.062 -25.544 -11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.185 -26.572 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.606 -25.921 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.658 -23.121 -11.165 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.187 -23.406 -10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.488 -22.379 -9.557 1.00 0.00 H new ATOM 1610 N ALA A 98 4.122 -24.628 -5.611 1.00 0.00 N ATOM 1611 CA ALA A 98 5.331 -25.354 -5.244 1.00 0.00 C ATOM 1612 C ALA A 98 5.819 -24.943 -3.858 1.00 0.00 C ATOM 1613 O ALA A 98 6.251 -25.783 -3.067 1.00 0.00 O ATOM 1614 CB ALA A 98 6.421 -25.122 -6.278 1.00 0.00 C ATOM 0 H ALA A 98 3.838 -23.915 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 98 5.092 -26.417 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.318 -25.671 -5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.079 -25.471 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.649 -24.058 -6.334 1.00 0.00 H new ATOM 1620 N ASP A 99 5.748 -23.648 -3.570 1.00 0.00 N ATOM 1621 CA ASP A 99 6.182 -23.127 -2.279 1.00 0.00 C ATOM 1622 C ASP A 99 5.379 -21.890 -1.891 1.00 0.00 C ATOM 1623 O ASP A 99 4.940 -21.128 -2.753 1.00 0.00 O ATOM 1624 CB ASP A 99 7.674 -22.789 -2.319 1.00 0.00 C ATOM 1625 CG ASP A 99 8.375 -23.113 -1.014 1.00 0.00 C ATOM 1626 OD1 ASP A 99 8.027 -22.498 0.016 1.00 0.00 O ATOM 1627 OD2 ASP A 99 9.273 -23.982 -1.021 1.00 0.00 O ATOM 0 H ASP A 99 5.394 -22.940 -4.213 1.00 0.00 H new ATOM 0 HA ASP A 99 6.010 -23.898 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.148 -23.342 -3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.798 -21.729 -2.542 1.00 0.00 H new ATOM 1633 N GLU A 100 5.192 -21.696 -0.590 1.00 0.00 N ATOM 1634 CA GLU A 100 4.442 -20.550 -0.088 1.00 0.00 C ATOM 1635 C GLU A 100 5.386 -19.431 0.342 1.00 0.00 C ATOM 1636 O GLU A 100 5.141 -18.746 1.336 1.00 0.00 O ATOM 1637 CB GLU A 100 3.558 -20.969 1.088 1.00 0.00 C ATOM 1638 CG GLU A 100 2.387 -21.850 0.686 1.00 0.00 C ATOM 1639 CD GLU A 100 2.057 -22.896 1.734 1.00 0.00 C ATOM 1640 OE1 GLU A 100 2.602 -24.016 1.645 1.00 0.00 O ATOM 1641 OE2 GLU A 100 1.255 -22.594 2.642 1.00 0.00 O ATOM 0 H GLU A 100 5.549 -22.317 0.136 1.00 0.00 H new ATOM 0 HA GLU A 100 3.809 -20.178 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.168 -21.501 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.177 -20.075 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.510 -21.226 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.617 -22.346 -0.257 1.00 0.00 H new ATOM 1649 N ASN A 101 6.465 -19.253 -0.411 1.00 0.00 N ATOM 1650 CA ASN A 101 7.446 -18.217 -0.109 1.00 0.00 C ATOM 1651 C ASN A 101 7.178 -16.956 -0.924 1.00 0.00 C ATOM 1652 O ASN A 101 6.982 -15.875 -0.368 1.00 0.00 O ATOM 1653 CB ASN A 101 8.860 -18.729 -0.390 1.00 0.00 C ATOM 1654 CG ASN A 101 9.929 -17.774 0.102 1.00 0.00 C ATOM 1655 OD1 ASN A 101 10.050 -17.522 1.301 1.00 0.00 O ATOM 1656 ND2 ASN A 101 10.713 -17.234 -0.825 1.00 0.00 N ATOM 0 H ASN A 101 6.683 -19.813 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 101 7.359 -17.968 0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 101 8.994 -19.699 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.981 -18.884 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.450 -16.583 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.578 -17.471 -1.808 1.00 0.00 H new ATOM 1663 N PHE A 102 7.171 -17.102 -2.245 1.00 0.00 N ATOM 1664 CA PHE A 102 6.927 -15.974 -3.138 1.00 0.00 C ATOM 1665 C PHE A 102 5.451 -15.588 -3.138 1.00 0.00 C ATOM 1666 O PHE A 102 4.576 -16.443 -3.265 1.00 0.00 O ATOM 1667 CB PHE A 102 7.379 -16.315 -4.559 1.00 0.00 C ATOM 1668 CG PHE A 102 8.768 -16.882 -4.628 1.00 0.00 C ATOM 1669 CD1 PHE A 102 9.873 -16.062 -4.465 1.00 0.00 C ATOM 1670 CD2 PHE A 102 8.968 -18.234 -4.854 1.00 0.00 C ATOM 1671 CE1 PHE A 102 11.153 -16.581 -4.528 1.00 0.00 C ATOM 1672 CE2 PHE A 102 10.246 -18.758 -4.918 1.00 0.00 C ATOM 1673 CZ PHE A 102 11.339 -17.930 -4.755 1.00 0.00 C ATOM 0 H PHE A 102 7.331 -17.990 -2.721 1.00 0.00 H new ATOM 0 HA PHE A 102 7.505 -15.124 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 102 6.681 -17.032 -4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.332 -15.415 -5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 102 9.733 -15.006 -4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.116 -18.886 -4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.006 -15.932 -4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.389 -19.814 -5.095 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.338 -18.337 -4.805 1.00 0.00 H new ATOM 1683 N HIS A 103 5.184 -14.294 -2.997 1.00 0.00 N ATOM 1684 CA HIS A 103 3.815 -13.793 -2.983 1.00 0.00 C ATOM 1685 C HIS A 103 3.689 -12.528 -3.826 1.00 0.00 C ATOM 1686 O HIS A 103 4.551 -11.650 -3.777 1.00 0.00 O ATOM 1687 CB HIS A 103 3.368 -13.509 -1.548 1.00 0.00 C ATOM 1688 CG HIS A 103 4.365 -12.723 -0.755 1.00 0.00 C ATOM 1689 ND1 HIS A 103 5.018 -13.230 0.349 1.00 0.00 N ATOM 1690 CD2 HIS A 103 4.823 -11.457 -0.910 1.00 0.00 C ATOM 1691 CE1 HIS A 103 5.832 -12.312 0.838 1.00 0.00 C ATOM 1692 NE2 HIS A 103 5.733 -11.228 0.092 1.00 0.00 N ATOM 0 H HIS A 103 5.898 -13.573 -2.891 1.00 0.00 H new ATOM 0 HA HIS A 103 3.170 -14.560 -3.412 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.424 -12.964 -1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.178 -14.455 -1.041 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.892 -14.168 0.729 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.527 -10.758 -1.679 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.470 -12.429 1.702 1.00 0.00 H new ATOM 1701 N LEU A 104 2.612 -12.443 -4.600 1.00 0.00 N ATOM 1702 CA LEU A 104 2.375 -11.286 -5.455 1.00 0.00 C ATOM 1703 C LEU A 104 0.885 -10.972 -5.545 1.00 0.00 C ATOM 1704 O LEU A 104 0.092 -11.801 -5.991 1.00 0.00 O ATOM 1705 CB LEU A 104 2.941 -11.535 -6.855 1.00 0.00 C ATOM 1706 CG LEU A 104 2.979 -10.307 -7.765 1.00 0.00 C ATOM 1707 CD1 LEU A 104 4.172 -10.378 -8.707 1.00 0.00 C ATOM 1708 CD2 LEU A 104 1.683 -10.188 -8.552 1.00 0.00 C ATOM 0 H LEU A 104 1.890 -13.161 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 104 2.883 -10.429 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.953 -11.927 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.345 -12.309 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 104 3.086 -9.419 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.183 -9.496 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.093 -10.416 -8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.096 -11.273 -9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.727 -9.309 -9.195 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.546 -11.079 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.845 -10.091 -7.861 1.00 0.00 H new ATOM 1720 N GLY A 105 0.512 -9.770 -5.118 1.00 0.00 N ATOM 1721 CA GLY A 105 -0.882 -9.368 -5.158 1.00 0.00 C ATOM 1722 C GLY A 105 -1.050 -7.863 -5.223 1.00 0.00 C ATOM 1723 O GLY A 105 -0.085 -7.116 -5.060 1.00 0.00 O ATOM 0 H GLY A 105 1.150 -9.067 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.363 -9.822 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.392 -9.750 -4.274 1.00 0.00 H new ATOM 1727 N LEU A 106 -2.279 -7.417 -5.461 1.00 0.00 N ATOM 1728 CA LEU A 106 -2.570 -5.991 -5.547 1.00 0.00 C ATOM 1729 C LEU A 106 -3.957 -5.684 -4.992 1.00 0.00 C ATOM 1730 O LEU A 106 -4.787 -6.580 -4.837 1.00 0.00 O ATOM 1731 CB LEU A 106 -2.473 -5.515 -6.997 1.00 0.00 C ATOM 1732 CG LEU A 106 -1.269 -6.051 -7.775 1.00 0.00 C ATOM 1733 CD1 LEU A 106 -1.606 -7.379 -8.433 1.00 0.00 C ATOM 1734 CD2 LEU A 106 -0.814 -5.037 -8.815 1.00 0.00 C ATOM 0 H LEU A 106 -3.089 -8.022 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.832 -5.459 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.384 -5.806 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.435 -4.426 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.451 -6.216 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.738 -7.744 -8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.883 -8.104 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.439 -7.242 -9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.043 -5.434 -9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.628 -4.841 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.530 -4.109 -8.319 1.00 0.00 H new ATOM 1746 N GLY A 107 -4.203 -4.413 -4.693 1.00 0.00 N ATOM 1747 CA GLY A 107 -5.491 -4.012 -4.158 1.00 0.00 C ATOM 1748 C GLY A 107 -5.587 -2.516 -3.939 1.00 0.00 C ATOM 1749 O GLY A 107 -4.730 -1.758 -4.391 1.00 0.00 O ATOM 0 H GLY A 107 -3.533 -3.653 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.279 -4.327 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.664 -4.526 -3.213 1.00 0.00 H new ATOM 1753 N PHE A 108 -6.635 -2.088 -3.241 1.00 0.00 N ATOM 1754 CA PHE A 108 -6.842 -0.673 -2.960 1.00 0.00 C ATOM 1755 C PHE A 108 -6.765 -0.397 -1.463 1.00 0.00 C ATOM 1756 O PHE A 108 -7.213 -1.205 -0.649 1.00 0.00 O ATOM 1757 CB PHE A 108 -8.196 -0.216 -3.505 1.00 0.00 C ATOM 1758 CG PHE A 108 -8.289 -0.269 -5.004 1.00 0.00 C ATOM 1759 CD1 PHE A 108 -8.599 -1.454 -5.651 1.00 0.00 C ATOM 1760 CD2 PHE A 108 -8.064 0.867 -5.766 1.00 0.00 C ATOM 1761 CE1 PHE A 108 -8.684 -1.507 -7.029 1.00 0.00 C ATOM 1762 CE2 PHE A 108 -8.148 0.821 -7.144 1.00 0.00 C ATOM 1763 CZ PHE A 108 -8.458 -0.367 -7.777 1.00 0.00 C ATOM 0 H PHE A 108 -7.354 -2.703 -2.860 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.050 -0.111 -3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.980 -0.841 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.386 0.805 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.776 -2.348 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.820 1.798 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.927 -2.437 -7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.971 1.713 -7.726 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.524 -0.405 -8.854 1.00 0.00 H new ATOM 1773 N THR A 109 -6.192 0.748 -1.105 1.00 0.00 N ATOM 1774 CA THR A 109 -6.057 1.130 0.295 1.00 0.00 C ATOM 1775 C THR A 109 -6.843 2.403 0.591 1.00 0.00 C ATOM 1776 O THR A 109 -6.487 3.486 0.127 1.00 0.00 O ATOM 1777 CB THR A 109 -4.583 1.333 0.649 1.00 0.00 C ATOM 1778 OG1 THR A 109 -4.069 2.489 0.012 1.00 0.00 O ATOM 1779 CG2 THR A 109 -3.705 0.165 0.255 1.00 0.00 C ATOM 0 H THR A 109 -5.814 1.427 -1.766 1.00 0.00 H new ATOM 0 HA THR A 109 -6.463 0.324 0.906 1.00 0.00 H new ATOM 0 HB THR A 109 -4.559 1.435 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.705 3.228 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.673 0.375 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.044 -0.735 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.765 0.012 -0.823 1.00 0.00 H new ATOM 1787 N ALA A 110 -7.915 2.265 1.366 1.00 0.00 N ATOM 1788 CA ALA A 110 -8.751 3.404 1.723 1.00 0.00 C ATOM 1789 C ALA A 110 -8.737 3.643 3.230 1.00 0.00 C ATOM 1790 O ALA A 110 -9.126 2.775 4.010 1.00 0.00 O ATOM 1791 CB ALA A 110 -10.176 3.184 1.236 1.00 0.00 C ATOM 0 H ALA A 110 -8.224 1.376 1.758 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.344 4.290 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.790 4.042 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -10.176 3.068 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.583 2.285 1.698 1.00 0.00 H new ATOM 1797 N GLY A 111 -8.285 4.827 3.631 1.00 0.00 N ATOM 1798 CA GLY A 111 -8.227 5.160 5.042 1.00 0.00 C ATOM 1799 C GLY A 111 -8.940 6.460 5.362 1.00 0.00 C ATOM 1800 O GLY A 111 -9.466 7.123 4.469 1.00 0.00 O ATOM 0 H GLY A 111 -7.958 5.562 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.674 4.352 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.185 5.235 5.352 1.00 0.00 H new ATOM 1804 N VAL A 112 -8.955 6.824 6.640 1.00 0.00 N ATOM 1805 CA VAL A 112 -9.608 8.052 7.076 1.00 0.00 C ATOM 1806 C VAL A 112 -8.792 8.753 8.158 1.00 0.00 C ATOM 1807 O VAL A 112 -8.116 8.106 8.957 1.00 0.00 O ATOM 1808 CB VAL A 112 -11.023 7.776 7.617 1.00 0.00 C ATOM 1809 CG1 VAL A 112 -11.950 7.348 6.489 1.00 0.00 C ATOM 1810 CG2 VAL A 112 -10.980 6.721 8.711 1.00 0.00 C ATOM 0 H VAL A 112 -8.523 6.286 7.391 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.681 8.698 6.201 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.414 8.697 8.049 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -12.946 7.157 6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -12.005 8.140 5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.565 6.440 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.989 6.539 9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.569 5.795 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.351 7.071 9.529 1.00 0.00 H new ATOM 1820 N THR A 113 -8.860 10.081 8.175 1.00 0.00 N ATOM 1821 CA THR A 113 -8.126 10.870 9.158 1.00 0.00 C ATOM 1822 C THR A 113 -9.082 11.701 10.010 1.00 0.00 C ATOM 1823 O THR A 113 -9.931 12.421 9.485 1.00 0.00 O ATOM 1824 CB THR A 113 -7.120 11.786 8.460 1.00 0.00 C ATOM 1825 OG1 THR A 113 -6.343 11.056 7.525 1.00 0.00 O ATOM 1826 CG2 THR A 113 -6.166 12.467 9.417 1.00 0.00 C ATOM 0 H THR A 113 -9.415 10.632 7.520 1.00 0.00 H new ATOM 0 HA THR A 113 -7.588 10.183 9.811 1.00 0.00 H new ATOM 0 HB THR A 113 -7.719 12.550 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.706 11.659 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 113 -5.480 13.102 8.856 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.731 13.077 10.122 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.599 11.713 9.963 1.00 0.00 H new ATOM 1834 N ALA A 114 -8.936 11.596 11.326 1.00 0.00 N ATOM 1835 CA ALA A 114 -9.785 12.338 12.250 1.00 0.00 C ATOM 1836 C ALA A 114 -8.978 12.870 13.429 1.00 0.00 C ATOM 1837 O ALA A 114 -8.207 12.138 14.049 1.00 0.00 O ATOM 1838 CB ALA A 114 -10.923 11.457 12.743 1.00 0.00 C ATOM 0 H ALA A 114 -8.238 11.004 11.777 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.204 13.190 11.715 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -11.549 12.023 13.432 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.523 11.128 11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.513 10.587 13.256 1.00 0.00 H new ATOM 1844 N ARG A 115 -9.159 14.151 13.734 1.00 0.00 N ATOM 1845 CA ARG A 115 -8.448 14.783 14.838 1.00 0.00 C ATOM 1846 C ARG A 115 -8.913 14.221 16.178 1.00 0.00 C ATOM 1847 O ARG A 115 -9.897 13.484 16.244 1.00 0.00 O ATOM 1848 CB ARG A 115 -8.657 16.298 14.809 1.00 0.00 C ATOM 1849 CG ARG A 115 -8.067 16.969 13.578 1.00 0.00 C ATOM 1850 CD ARG A 115 -6.565 17.150 13.709 1.00 0.00 C ATOM 1851 NE ARG A 115 -5.951 17.564 12.450 1.00 0.00 N ATOM 1852 CZ ARG A 115 -6.069 18.785 11.933 1.00 0.00 C ATOM 1853 NH1 ARG A 115 -6.778 19.713 12.562 1.00 0.00 N ATOM 1854 NH2 ARG A 115 -5.478 19.077 10.782 1.00 0.00 N ATOM 0 H ARG A 115 -9.793 14.772 13.231 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.386 14.568 14.722 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.725 16.510 14.852 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.209 16.736 15.701 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.287 16.369 12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.540 17.940 13.430 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.355 17.895 14.477 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.115 16.215 14.041 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.399 16.877 11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.236 19.493 13.446 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.865 20.647 12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.933 18.366 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.568 20.012 10.385 1.00 0.00 H new ATOM 1868 N ASP A 116 -8.198 14.572 17.243 1.00 0.00 N ATOM 1869 CA ASP A 116 -8.539 14.102 18.579 1.00 0.00 C ATOM 1870 C ASP A 116 -9.186 15.214 19.399 1.00 0.00 C ATOM 1871 O ASP A 116 -10.037 14.957 20.251 1.00 0.00 O ATOM 1872 CB ASP A 116 -7.288 13.588 19.296 1.00 0.00 C ATOM 1873 CG ASP A 116 -7.584 12.402 20.194 1.00 0.00 C ATOM 1874 OD1 ASP A 116 -8.344 12.572 21.170 1.00 0.00 O ATOM 1875 OD2 ASP A 116 -7.055 11.304 19.921 1.00 0.00 O ATOM 0 H ASP A 116 -7.380 15.180 17.205 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.254 13.286 18.478 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.540 13.303 18.556 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.857 14.393 19.891 1.00 0.00 H new ATOM 1881 N ASN A 117 -8.777 16.451 19.136 1.00 0.00 N ATOM 1882 CA ASN A 117 -9.318 17.603 19.848 1.00 0.00 C ATOM 1883 C ASN A 117 -10.775 17.843 19.467 1.00 0.00 C ATOM 1884 O ASN A 117 -11.576 18.291 20.288 1.00 0.00 O ATOM 1885 CB ASN A 117 -8.487 18.851 19.547 1.00 0.00 C ATOM 1886 CG ASN A 117 -7.115 18.802 20.191 1.00 0.00 C ATOM 1887 OD1 ASN A 117 -6.346 17.867 19.969 1.00 0.00 O ATOM 1888 ND2 ASN A 117 -6.802 19.811 20.994 1.00 0.00 N ATOM 0 H ASN A 117 -8.073 16.681 18.435 1.00 0.00 H new ATOM 0 HA ASN A 117 -9.271 17.393 20.917 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -8.375 18.958 18.468 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.020 19.733 19.901 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -5.893 19.832 21.456 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.471 20.565 21.149 1.00 0.00 H new ATOM 1895 N TRP A 118 -11.112 17.542 18.217 1.00 0.00 N ATOM 1896 CA TRP A 118 -12.473 17.726 17.727 1.00 0.00 C ATOM 1897 C TRP A 118 -12.819 16.676 16.677 1.00 0.00 C ATOM 1898 O TRP A 118 -12.021 15.782 16.392 1.00 0.00 O ATOM 1899 CB TRP A 118 -12.641 19.128 17.137 1.00 0.00 C ATOM 1900 CG TRP A 118 -11.693 19.416 16.013 1.00 0.00 C ATOM 1901 CD1 TRP A 118 -11.582 18.730 14.839 1.00 0.00 C ATOM 1902 CD2 TRP A 118 -10.723 20.468 15.958 1.00 0.00 C ATOM 1903 NE1 TRP A 118 -10.601 19.290 14.056 1.00 0.00 N ATOM 1904 CE2 TRP A 118 -10.059 20.358 14.721 1.00 0.00 C ATOM 1905 CE3 TRP A 118 -10.351 21.492 16.833 1.00 0.00 C ATOM 1906 CZ2 TRP A 118 -9.046 21.235 14.339 1.00 0.00 C ATOM 1907 CZ3 TRP A 118 -9.344 22.361 16.454 1.00 0.00 C ATOM 1908 CH2 TRP A 118 -8.703 22.227 15.217 1.00 0.00 C ATOM 0 H TRP A 118 -10.461 17.170 17.525 1.00 0.00 H new ATOM 0 HA TRP A 118 -13.154 17.610 18.570 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -13.664 19.244 16.779 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -12.494 19.866 17.925 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -12.178 17.872 14.565 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -10.322 18.964 13.131 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -10.841 21.603 17.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -8.550 21.136 13.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -9.048 23.155 17.123 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -7.921 22.922 14.950 1.00 0.00 H new ATOM 1919 N ASN A 119 -14.013 16.789 16.106 1.00 0.00 N ATOM 1920 CA ASN A 119 -14.464 15.848 15.087 1.00 0.00 C ATOM 1921 C ASN A 119 -15.674 16.397 14.337 1.00 0.00 C ATOM 1922 O ASN A 119 -16.724 16.646 14.930 1.00 0.00 O ATOM 1923 CB ASN A 119 -14.813 14.502 15.724 1.00 0.00 C ATOM 1924 CG ASN A 119 -15.795 14.641 16.870 1.00 0.00 C ATOM 1925 OD1 ASN A 119 -16.986 14.368 16.718 1.00 0.00 O ATOM 1926 ND2 ASN A 119 -15.300 15.069 18.026 1.00 0.00 N ATOM 0 H ASN A 119 -14.686 17.522 16.331 1.00 0.00 H new ATOM 0 HA ASN A 119 -13.651 15.705 14.375 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.235 13.843 14.965 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -13.901 14.028 16.086 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -15.914 15.183 18.833 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -14.306 15.284 18.107 1.00 0.00 H new ATOM 1933 N TYR A 120 -15.520 16.584 13.031 1.00 0.00 N ATOM 1934 CA TYR A 120 -16.599 17.103 12.200 1.00 0.00 C ATOM 1935 C TYR A 120 -16.618 16.414 10.839 1.00 0.00 C ATOM 1936 O TYR A 120 -17.495 15.598 10.557 1.00 0.00 O ATOM 1937 CB TYR A 120 -16.450 18.616 12.022 1.00 0.00 C ATOM 1938 CG TYR A 120 -17.693 19.395 12.385 1.00 0.00 C ATOM 1939 CD1 TYR A 120 -18.388 19.125 13.558 1.00 0.00 C ATOM 1940 CD2 TYR A 120 -18.174 20.401 11.555 1.00 0.00 C ATOM 1941 CE1 TYR A 120 -19.526 19.834 13.893 1.00 0.00 C ATOM 1942 CE2 TYR A 120 -19.310 21.116 11.885 1.00 0.00 C ATOM 1943 CZ TYR A 120 -19.982 20.828 13.053 1.00 0.00 C ATOM 1944 OH TYR A 120 -21.113 21.538 13.384 1.00 0.00 O ATOM 0 H TYR A 120 -14.657 16.384 12.525 1.00 0.00 H new ATOM 0 HA TYR A 120 -17.544 16.896 12.702 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -15.620 18.965 12.637 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -16.189 18.827 10.985 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -18.033 18.348 14.219 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -17.652 20.628 10.637 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -20.055 19.611 14.808 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -19.669 21.897 11.231 1.00 0.00 H new ATOM 0 HH TYR A 120 -21.298 22.202 12.687 1.00 0.00 H new ATOM 1954 N ILE A 121 -15.644 16.749 9.999 1.00 0.00 N ATOM 1955 CA ILE A 121 -15.547 16.162 8.668 1.00 0.00 C ATOM 1956 C ILE A 121 -14.164 15.560 8.431 1.00 0.00 C ATOM 1957 O ILE A 121 -13.243 16.254 8.000 1.00 0.00 O ATOM 1958 CB ILE A 121 -15.833 17.206 7.570 1.00 0.00 C ATOM 1959 CG1 ILE A 121 -17.121 17.973 7.885 1.00 0.00 C ATOM 1960 CG2 ILE A 121 -15.927 16.532 6.209 1.00 0.00 C ATOM 1961 CD1 ILE A 121 -16.879 19.386 8.367 1.00 0.00 C ATOM 0 H ILE A 121 -14.911 17.424 10.217 1.00 0.00 H new ATOM 0 HA ILE A 121 -16.298 15.374 8.616 1.00 0.00 H new ATOM 0 HB ILE A 121 -15.008 17.918 7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -17.744 18.004 6.991 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -17.682 17.429 8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -16.129 17.282 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -14.985 16.031 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -16.734 15.799 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -17.834 19.870 8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -16.282 19.362 9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -16.346 19.946 7.599 1.00 0.00 H new ATOM 1973 N PRO A 122 -13.998 14.255 8.710 1.00 0.00 N ATOM 1974 CA PRO A 122 -12.718 13.564 8.524 1.00 0.00 C ATOM 1975 C PRO A 122 -12.142 13.778 7.128 1.00 0.00 C ATOM 1976 O PRO A 122 -12.738 14.465 6.298 1.00 0.00 O ATOM 1977 CB PRO A 122 -13.073 12.092 8.736 1.00 0.00 C ATOM 1978 CG PRO A 122 -14.277 12.115 9.611 1.00 0.00 C ATOM 1979 CD PRO A 122 -15.044 13.351 9.228 1.00 0.00 C ATOM 0 HA PRO A 122 -11.953 13.933 9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -13.282 11.595 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.252 11.551 9.206 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -14.882 11.220 9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -13.994 12.142 10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -15.800 13.137 8.473 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -15.562 13.784 10.084 1.00 0.00 H new ATOM 1987 N LEU A 123 -10.979 13.186 6.876 1.00 0.00 N ATOM 1988 CA LEU A 123 -10.323 13.313 5.579 1.00 0.00 C ATOM 1989 C LEU A 123 -9.963 11.939 5.015 1.00 0.00 C ATOM 1990 O LEU A 123 -8.864 11.435 5.243 1.00 0.00 O ATOM 1991 CB LEU A 123 -9.062 14.171 5.705 1.00 0.00 C ATOM 1992 CG LEU A 123 -8.263 14.339 4.412 1.00 0.00 C ATOM 1993 CD1 LEU A 123 -9.153 14.874 3.300 1.00 0.00 C ATOM 1994 CD2 LEU A 123 -7.076 15.264 4.638 1.00 0.00 C ATOM 0 H LEU A 123 -10.472 12.614 7.552 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.018 13.798 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -9.347 15.158 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.413 13.728 6.460 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.886 13.362 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -8.567 14.987 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.971 14.176 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -9.559 15.842 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.518 15.373 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.433 16.241 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -6.426 14.841 5.404 1.00 0.00 H new ATOM 2006 N PRO A 124 -10.888 11.316 4.266 1.00 0.00 N ATOM 2007 CA PRO A 124 -10.662 9.996 3.668 1.00 0.00 C ATOM 2008 C PRO A 124 -9.629 10.038 2.548 1.00 0.00 C ATOM 2009 O PRO A 124 -9.442 11.068 1.900 1.00 0.00 O ATOM 2010 CB PRO A 124 -12.036 9.614 3.115 1.00 0.00 C ATOM 2011 CG PRO A 124 -12.722 10.914 2.874 1.00 0.00 C ATOM 2012 CD PRO A 124 -12.227 11.847 3.943 1.00 0.00 C ATOM 0 HA PRO A 124 -10.268 9.283 4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -11.946 9.037 2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -12.591 8.999 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -12.490 11.300 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -13.805 10.800 2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -12.176 12.876 3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -12.882 11.843 4.814 1.00 0.00 H new ATOM 2020 N VAL A 125 -8.959 8.912 2.324 1.00 0.00 N ATOM 2021 CA VAL A 125 -7.945 8.821 1.281 1.00 0.00 C ATOM 2022 C VAL A 125 -7.872 7.410 0.707 1.00 0.00 C ATOM 2023 O VAL A 125 -7.650 6.443 1.436 1.00 0.00 O ATOM 2024 CB VAL A 125 -6.555 9.218 1.813 1.00 0.00 C ATOM 2025 CG1 VAL A 125 -5.552 9.309 0.673 1.00 0.00 C ATOM 2026 CG2 VAL A 125 -6.631 10.533 2.572 1.00 0.00 C ATOM 0 H VAL A 125 -9.100 8.050 2.851 1.00 0.00 H new ATOM 0 HA VAL A 125 -8.238 9.516 0.494 1.00 0.00 H new ATOM 0 HB VAL A 125 -6.216 8.445 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -4.576 9.591 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.477 8.342 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -5.883 10.060 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.640 10.798 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.992 11.317 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.315 10.428 3.414 1.00 0.00 H new ATOM 2036 N LEU A 126 -8.062 7.299 -0.604 1.00 0.00 N ATOM 2037 CA LEU A 126 -8.017 6.006 -1.276 1.00 0.00 C ATOM 2038 C LEU A 126 -7.087 6.052 -2.484 1.00 0.00 C ATOM 2039 O LEU A 126 -7.235 6.903 -3.361 1.00 0.00 O ATOM 2040 CB LEU A 126 -9.421 5.587 -1.715 1.00 0.00 C ATOM 2041 CG LEU A 126 -10.264 6.701 -2.339 1.00 0.00 C ATOM 2042 CD1 LEU A 126 -11.172 6.140 -3.422 1.00 0.00 C ATOM 2043 CD2 LEU A 126 -11.080 7.412 -1.271 1.00 0.00 C ATOM 0 H LEU A 126 -8.249 8.089 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.630 5.271 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -9.332 4.773 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -9.953 5.191 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 126 -9.592 7.427 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.764 6.947 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.566 5.677 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.838 5.394 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.674 8.201 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.743 6.697 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -10.409 7.848 -0.531 1.00 0.00 H new ATOM 2055 N LEU A 127 -6.129 5.133 -2.523 1.00 0.00 N ATOM 2056 CA LEU A 127 -5.174 5.069 -3.623 1.00 0.00 C ATOM 2057 C LEU A 127 -4.743 3.628 -3.886 1.00 0.00 C ATOM 2058 O LEU A 127 -4.695 2.808 -2.970 1.00 0.00 O ATOM 2059 CB LEU A 127 -3.949 5.932 -3.314 1.00 0.00 C ATOM 2060 CG LEU A 127 -4.247 7.408 -3.050 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -3.016 8.111 -2.501 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -4.729 8.089 -4.322 1.00 0.00 C ATOM 0 H LEU A 127 -5.993 4.421 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.663 5.453 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.442 5.518 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.254 5.861 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.039 7.472 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.247 9.161 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.714 7.639 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.203 8.038 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.937 9.139 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.958 8.015 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.638 7.602 -4.674 1.00 0.00 H new ATOM 2074 N PRO A 128 -4.423 3.299 -5.150 1.00 0.00 N ATOM 2075 CA PRO A 128 -3.993 1.950 -5.530 1.00 0.00 C ATOM 2076 C PRO A 128 -2.604 1.614 -5.000 1.00 0.00 C ATOM 2077 O PRO A 128 -1.711 2.462 -4.986 1.00 0.00 O ATOM 2078 CB PRO A 128 -3.985 1.997 -7.059 1.00 0.00 C ATOM 2079 CG PRO A 128 -3.769 3.433 -7.392 1.00 0.00 C ATOM 2080 CD PRO A 128 -4.452 4.217 -6.305 1.00 0.00 C ATOM 0 HA PRO A 128 -4.648 1.182 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -3.193 1.372 -7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -4.926 1.632 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -2.706 3.668 -7.434 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -4.187 3.674 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -3.927 5.148 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -5.472 4.482 -6.582 1.00 0.00 H new ATOM 2088 N LEU A 129 -2.426 0.371 -4.564 1.00 0.00 N ATOM 2089 CA LEU A 129 -1.145 -0.077 -4.032 1.00 0.00 C ATOM 2090 C LEU A 129 -0.960 -1.575 -4.247 1.00 0.00 C ATOM 2091 O LEU A 129 -1.930 -2.335 -4.258 1.00 0.00 O ATOM 2092 CB LEU A 129 -1.044 0.256 -2.541 1.00 0.00 C ATOM 2093 CG LEU A 129 0.318 0.787 -2.087 1.00 0.00 C ATOM 2094 CD1 LEU A 129 0.158 1.702 -0.884 1.00 0.00 C ATOM 2095 CD2 LEU A 129 1.257 -0.365 -1.762 1.00 0.00 C ATOM 0 H LEU A 129 -3.154 -0.344 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.353 0.447 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.805 0.997 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.277 -0.641 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 129 0.753 1.365 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.136 2.070 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.480 2.545 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.297 1.148 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 129 2.221 0.031 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.828 -0.969 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 129 1.396 -0.983 -2.649 1.00 0.00 H new ATOM 2107 N ALA A 130 0.289 -1.994 -4.418 1.00 0.00 N ATOM 2108 CA ALA A 130 0.601 -3.402 -4.634 1.00 0.00 C ATOM 2109 C ALA A 130 1.596 -3.910 -3.596 1.00 0.00 C ATOM 2110 O ALA A 130 2.026 -3.164 -2.716 1.00 0.00 O ATOM 2111 CB ALA A 130 1.147 -3.612 -6.038 1.00 0.00 C ATOM 0 H ALA A 130 1.102 -1.378 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 130 -0.321 -3.973 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.376 -4.668 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.402 -3.296 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 130 2.055 -3.023 -6.167 1.00 0.00 H new ATOM 2117 N SER A 131 1.958 -5.184 -3.705 1.00 0.00 N ATOM 2118 CA SER A 131 2.903 -5.793 -2.776 1.00 0.00 C ATOM 2119 C SER A 131 3.439 -7.109 -3.328 1.00 0.00 C ATOM 2120 O SER A 131 2.675 -8.037 -3.597 1.00 0.00 O ATOM 2121 CB SER A 131 2.237 -6.029 -1.419 1.00 0.00 C ATOM 2122 OG SER A 131 1.135 -6.912 -1.538 1.00 0.00 O ATOM 0 H SER A 131 1.611 -5.815 -4.428 1.00 0.00 H new ATOM 0 HA SER A 131 3.740 -5.107 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.964 -6.442 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.902 -5.078 -1.005 1.00 0.00 H new ATOM 0 HG SER A 131 1.333 -7.593 -2.214 1.00 0.00 H new ATOM 2128 N VAL A 132 4.755 -7.184 -3.495 1.00 0.00 N ATOM 2129 CA VAL A 132 5.392 -8.388 -4.015 1.00 0.00 C ATOM 2130 C VAL A 132 6.731 -8.640 -3.327 1.00 0.00 C ATOM 2131 O VAL A 132 7.535 -7.724 -3.159 1.00 0.00 O ATOM 2132 CB VAL A 132 5.614 -8.292 -5.538 1.00 0.00 C ATOM 2133 CG1 VAL A 132 6.548 -7.139 -5.874 1.00 0.00 C ATOM 2134 CG2 VAL A 132 6.154 -9.605 -6.086 1.00 0.00 C ATOM 0 H VAL A 132 5.401 -6.425 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 132 4.719 -9.220 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 132 4.652 -8.097 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 132 6.691 -7.089 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 132 6.113 -6.204 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 132 7.511 -7.297 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 132 6.304 -9.516 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 132 7.105 -9.836 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 132 5.441 -10.404 -5.884 1.00 0.00 H new ATOM 2144 N GLY A 133 6.961 -9.888 -2.932 1.00 0.00 N ATOM 2145 CA GLY A 133 8.202 -10.238 -2.268 1.00 0.00 C ATOM 2146 C GLY A 133 8.133 -11.589 -1.582 1.00 0.00 C ATOM 2147 O GLY A 133 7.268 -12.408 -1.895 1.00 0.00 O ATOM 0 H GLY A 133 6.310 -10.663 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 133 9.011 -10.246 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 133 8.445 -9.472 -1.531 1.00 0.00 H new ATOM 2151 N TYR A 134 9.046 -11.821 -0.644 1.00 0.00 N ATOM 2152 CA TYR A 134 9.086 -13.082 0.087 1.00 0.00 C ATOM 2153 C TYR A 134 9.542 -12.863 1.526 1.00 0.00 C ATOM 2154 O TYR A 134 10.360 -11.984 1.801 1.00 0.00 O ATOM 2155 CB TYR A 134 10.020 -14.072 -0.610 1.00 0.00 C ATOM 2156 CG TYR A 134 11.360 -13.482 -0.983 1.00 0.00 C ATOM 2157 CD1 TYR A 134 11.470 -12.548 -2.005 1.00 0.00 C ATOM 2158 CD2 TYR A 134 12.517 -13.858 -0.311 1.00 0.00 C ATOM 2159 CE1 TYR A 134 12.695 -12.006 -2.348 1.00 0.00 C ATOM 2160 CE2 TYR A 134 13.745 -13.321 -0.649 1.00 0.00 C ATOM 2161 CZ TYR A 134 13.828 -12.395 -1.667 1.00 0.00 C ATOM 2162 OH TYR A 134 15.049 -11.859 -2.006 1.00 0.00 O ATOM 0 H TYR A 134 9.767 -11.153 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 134 8.077 -13.495 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 134 10.180 -14.929 0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 134 9.533 -14.445 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 134 10.584 -12.240 -2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 134 12.456 -14.582 0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 134 12.763 -11.281 -3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 134 14.635 -13.625 -0.118 1.00 0.00 H new ATOM 0 HH TYR A 134 15.744 -12.238 -1.429 1.00 0.00 H new ATOM 2172 N GLY A 135 9.009 -13.666 2.440 1.00 0.00 N ATOM 2173 CA GLY A 135 9.373 -13.545 3.840 1.00 0.00 C ATOM 2174 C GLY A 135 9.107 -12.155 4.391 1.00 0.00 C ATOM 2175 O GLY A 135 8.147 -11.501 3.985 1.00 0.00 O ATOM 0 H GLY A 135 8.330 -14.400 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.813 -14.277 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 135 10.430 -13.784 3.959 1.00 0.00 H new ATOM 2179 N PRO A 136 9.945 -11.674 5.325 1.00 0.00 N ATOM 2180 CA PRO A 136 9.780 -10.345 5.923 1.00 0.00 C ATOM 2181 C PRO A 136 10.048 -9.220 4.926 1.00 0.00 C ATOM 2182 O PRO A 136 9.657 -8.075 5.152 1.00 0.00 O ATOM 2183 CB PRO A 136 10.822 -10.325 7.044 1.00 0.00 C ATOM 2184 CG PRO A 136 11.855 -11.312 6.622 1.00 0.00 C ATOM 2185 CD PRO A 136 11.118 -12.385 5.870 1.00 0.00 C ATOM 0 HA PRO A 136 8.760 -10.180 6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 136 11.252 -9.331 7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 136 10.379 -10.601 8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 136 12.610 -10.842 5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 136 12.374 -11.727 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 136 11.731 -12.815 5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 136 10.823 -13.205 6.525 1.00 0.00 H new ATOM 2193 N VAL A 137 10.717 -9.551 3.825 1.00 0.00 N ATOM 2194 CA VAL A 137 11.032 -8.564 2.800 1.00 0.00 C ATOM 2195 C VAL A 137 9.963 -8.540 1.713 1.00 0.00 C ATOM 2196 O VAL A 137 9.819 -9.494 0.948 1.00 0.00 O ATOM 2197 CB VAL A 137 12.401 -8.845 2.151 1.00 0.00 C ATOM 2198 CG1 VAL A 137 12.802 -7.701 1.232 1.00 0.00 C ATOM 2199 CG2 VAL A 137 13.460 -9.077 3.218 1.00 0.00 C ATOM 0 H VAL A 137 11.050 -10.493 3.621 1.00 0.00 H new ATOM 0 HA VAL A 137 11.065 -7.594 3.295 1.00 0.00 H new ATOM 0 HB VAL A 137 12.318 -9.751 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 137 13.771 -7.918 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 137 12.055 -7.587 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 137 12.867 -6.778 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 137 14.420 -9.274 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 137 13.542 -8.191 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 137 13.177 -9.933 3.831 1.00 0.00 H new ATOM 2209 N THR A 138 9.216 -7.442 1.650 1.00 0.00 N ATOM 2210 CA THR A 138 8.160 -7.293 0.656 1.00 0.00 C ATOM 2211 C THR A 138 8.164 -5.887 0.065 1.00 0.00 C ATOM 2212 O THR A 138 8.070 -4.898 0.791 1.00 0.00 O ATOM 2213 CB THR A 138 6.796 -7.592 1.281 1.00 0.00 C ATOM 2214 OG1 THR A 138 6.893 -8.661 2.207 1.00 0.00 O ATOM 2215 CG2 THR A 138 5.738 -7.961 0.263 1.00 0.00 C ATOM 0 H THR A 138 9.323 -6.643 2.275 1.00 0.00 H new ATOM 0 HA THR A 138 8.348 -8.006 -0.147 1.00 0.00 H new ATOM 0 HB THR A 138 6.495 -6.668 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 138 6.011 -8.837 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 138 4.796 -8.160 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 138 5.604 -7.137 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 138 6.052 -8.852 -0.281 1.00 0.00 H new ATOM 2223 N PHE A 139 8.273 -5.805 -1.257 1.00 0.00 N ATOM 2224 CA PHE A 139 8.289 -4.520 -1.945 1.00 0.00 C ATOM 2225 C PHE A 139 6.881 -4.109 -2.364 1.00 0.00 C ATOM 2226 O PHE A 139 6.209 -4.826 -3.104 1.00 0.00 O ATOM 2227 CB PHE A 139 9.200 -4.586 -3.172 1.00 0.00 C ATOM 2228 CG PHE A 139 10.660 -4.666 -2.832 1.00 0.00 C ATOM 2229 CD1 PHE A 139 11.337 -3.553 -2.358 1.00 0.00 C ATOM 2230 CD2 PHE A 139 11.357 -5.853 -2.985 1.00 0.00 C ATOM 2231 CE1 PHE A 139 12.681 -3.623 -2.045 1.00 0.00 C ATOM 2232 CE2 PHE A 139 12.702 -5.930 -2.673 1.00 0.00 C ATOM 2233 CZ PHE A 139 13.364 -4.813 -2.202 1.00 0.00 C ATOM 0 H PHE A 139 8.352 -6.614 -1.873 1.00 0.00 H new ATOM 0 HA PHE A 139 8.676 -3.771 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 139 8.927 -5.455 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 139 9.027 -3.705 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 139 10.808 -2.620 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 139 10.844 -6.729 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 139 13.197 -2.748 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 139 13.234 -6.862 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 139 14.414 -4.870 -1.957 1.00 0.00 H new ATOM 2243 N GLN A 140 6.442 -2.950 -1.884 1.00 0.00 N ATOM 2244 CA GLN A 140 5.114 -2.442 -2.209 1.00 0.00 C ATOM 2245 C GLN A 140 5.198 -1.298 -3.214 1.00 0.00 C ATOM 2246 O GLN A 140 6.093 -0.455 -3.135 1.00 0.00 O ATOM 2247 CB GLN A 140 4.401 -1.971 -0.940 1.00 0.00 C ATOM 2248 CG GLN A 140 3.926 -3.108 -0.050 1.00 0.00 C ATOM 2249 CD GLN A 140 2.800 -2.691 0.875 1.00 0.00 C ATOM 2250 OE1 GLN A 140 2.695 -1.527 1.259 1.00 0.00 O ATOM 2251 NE2 GLN A 140 1.949 -3.644 1.237 1.00 0.00 N ATOM 0 H GLN A 140 6.986 -2.345 -1.269 1.00 0.00 H new ATOM 0 HA GLN A 140 4.543 -3.254 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 140 5.076 -1.333 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.544 -1.359 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.591 -3.937 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.763 -3.474 0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 140 2.074 -4.597 0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 140 1.170 -3.423 1.858 1.00 0.00 H new ATOM 2260 N MET A 141 4.263 -1.275 -4.157 1.00 0.00 N ATOM 2261 CA MET A 141 4.232 -0.234 -5.177 1.00 0.00 C ATOM 2262 C MET A 141 3.047 0.702 -4.962 1.00 0.00 C ATOM 2263 O MET A 141 1.910 0.255 -4.811 1.00 0.00 O ATOM 2264 CB MET A 141 4.157 -0.858 -6.572 1.00 0.00 C ATOM 2265 CG MET A 141 5.502 -1.328 -7.101 1.00 0.00 C ATOM 2266 SD MET A 141 5.887 -3.021 -6.615 1.00 0.00 S ATOM 2267 CE MET A 141 6.344 -3.731 -8.194 1.00 0.00 C ATOM 0 H MET A 141 3.516 -1.965 -4.236 1.00 0.00 H new ATOM 0 HA MET A 141 5.151 0.347 -5.096 1.00 0.00 H new ATOM 0 HB2 MET A 141 3.470 -1.704 -6.546 1.00 0.00 H new ATOM 0 HB3 MET A 141 3.738 -0.129 -7.265 1.00 0.00 H new ATOM 0 HG2 MET A 141 5.505 -1.257 -8.189 1.00 0.00 H new ATOM 0 HG3 MET A 141 6.284 -0.663 -6.736 1.00 0.00 H new ATOM 0 HE1 MET A 141 6.610 -4.779 -8.058 1.00 0.00 H new ATOM 0 HE2 MET A 141 5.503 -3.656 -8.884 1.00 0.00 H new ATOM 0 HE3 MET A 141 7.198 -3.190 -8.603 1.00 0.00 H new ATOM 2277 N THR A 142 3.320 2.003 -4.950 1.00 0.00 N ATOM 2278 CA THR A 142 2.276 3.002 -4.752 1.00 0.00 C ATOM 2279 C THR A 142 2.084 3.846 -6.009 1.00 0.00 C ATOM 2280 O THR A 142 3.047 4.365 -6.574 1.00 0.00 O ATOM 2281 CB THR A 142 2.623 3.904 -3.568 1.00 0.00 C ATOM 2282 OG1 THR A 142 3.152 3.143 -2.495 1.00 0.00 O ATOM 2283 CG2 THR A 142 1.436 4.679 -3.038 1.00 0.00 C ATOM 0 H THR A 142 4.255 2.390 -5.075 1.00 0.00 H new ATOM 0 HA THR A 142 1.343 2.479 -4.541 1.00 0.00 H new ATOM 0 HB THR A 142 3.358 4.612 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 142 3.220 3.707 -1.696 1.00 0.00 H new ATOM 0 HG21 THR A 142 1.752 5.299 -2.199 1.00 0.00 H new ATOM 0 HG22 THR A 142 1.034 5.314 -3.828 1.00 0.00 H new ATOM 0 HG23 THR A 142 0.666 3.983 -2.705 1.00 0.00 H new ATOM 2291 N TYR A 143 0.835 3.977 -6.441 1.00 0.00 N ATOM 2292 CA TYR A 143 0.515 4.758 -7.630 1.00 0.00 C ATOM 2293 C TYR A 143 -0.214 6.044 -7.255 1.00 0.00 C ATOM 2294 O TYR A 143 -1.265 6.010 -6.615 1.00 0.00 O ATOM 2295 CB TYR A 143 -0.343 3.933 -8.593 1.00 0.00 C ATOM 2296 CG TYR A 143 0.448 3.286 -9.707 1.00 0.00 C ATOM 2297 CD1 TYR A 143 1.215 4.052 -10.576 1.00 0.00 C ATOM 2298 CD2 TYR A 143 0.426 1.909 -9.892 1.00 0.00 C ATOM 2299 CE1 TYR A 143 1.938 3.466 -11.597 1.00 0.00 C ATOM 2300 CE2 TYR A 143 1.147 1.315 -10.910 1.00 0.00 C ATOM 2301 CZ TYR A 143 1.901 2.097 -11.759 1.00 0.00 C ATOM 2302 OH TYR A 143 2.620 1.509 -12.775 1.00 0.00 O ATOM 0 H TYR A 143 0.027 3.552 -5.986 1.00 0.00 H new ATOM 0 HA TYR A 143 1.450 5.022 -8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.862 3.158 -8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -1.107 4.577 -9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 143 1.247 5.124 -10.451 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -0.164 1.293 -9.229 1.00 0.00 H new ATOM 0 HE1 TYR A 143 2.529 4.076 -12.264 1.00 0.00 H new ATOM 0 HE2 TYR A 143 1.120 0.243 -11.040 1.00 0.00 H new ATOM 0 HH TYR A 143 2.487 0.538 -12.751 1.00 0.00 H new ATOM 2312 N ILE A 144 0.351 7.178 -7.657 1.00 0.00 N ATOM 2313 CA ILE A 144 -0.245 8.476 -7.362 1.00 0.00 C ATOM 2314 C ILE A 144 -0.385 9.317 -8.629 1.00 0.00 C ATOM 2315 O ILE A 144 0.538 9.383 -9.442 1.00 0.00 O ATOM 2316 CB ILE A 144 0.592 9.257 -6.332 1.00 0.00 C ATOM 2317 CG1 ILE A 144 0.918 8.370 -5.129 1.00 0.00 C ATOM 2318 CG2 ILE A 144 -0.147 10.510 -5.888 1.00 0.00 C ATOM 2319 CD1 ILE A 144 1.969 8.957 -4.213 1.00 0.00 C ATOM 0 H ILE A 144 1.221 7.224 -8.188 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.233 8.283 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 144 1.528 9.559 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 144 0.006 8.196 -4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 144 1.260 7.399 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.458 11.051 -5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -0.332 11.149 -6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -1.097 10.230 -5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 144 2.150 8.275 -3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 144 2.895 9.105 -4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 144 1.621 9.915 -3.827 1.00 0.00 H new ATOM 2331 N PRO A 145 -1.543 9.976 -8.818 1.00 0.00 N ATOM 2332 CA PRO A 145 -1.790 10.813 -9.995 1.00 0.00 C ATOM 2333 C PRO A 145 -1.033 12.135 -9.936 1.00 0.00 C ATOM 2334 O PRO A 145 -1.030 12.814 -8.909 1.00 0.00 O ATOM 2335 CB PRO A 145 -3.298 11.057 -9.941 1.00 0.00 C ATOM 2336 CG PRO A 145 -3.639 10.975 -8.495 1.00 0.00 C ATOM 2337 CD PRO A 145 -2.701 9.957 -7.902 1.00 0.00 C ATOM 0 HA PRO A 145 -1.453 10.335 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -3.557 12.031 -10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -3.842 10.310 -10.520 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -3.519 11.944 -8.011 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -4.678 10.675 -8.356 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -2.412 10.223 -6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -3.159 8.969 -7.855 1.00 0.00 H new ATOM 2345 N GLY A 146 -0.392 12.495 -11.043 1.00 0.00 N ATOM 2346 CA GLY A 146 0.360 13.736 -11.095 1.00 0.00 C ATOM 2347 C GLY A 146 -0.539 14.955 -11.152 1.00 0.00 C ATOM 2348 O GLY A 146 -1.186 15.305 -10.165 1.00 0.00 O ATOM 0 H GLY A 146 -0.380 11.950 -11.905 1.00 0.00 H new ATOM 0 HA2 GLY A 146 1.004 13.804 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 146 1.011 13.727 -11.969 1.00 0.00 H new ATOM 2352 N THR A 147 -0.578 15.605 -12.311 1.00 0.00 N ATOM 2353 CA THR A 147 -1.404 16.793 -12.493 1.00 0.00 C ATOM 2354 C THR A 147 -2.299 16.648 -13.721 1.00 0.00 C ATOM 2355 O THR A 147 -3.490 16.954 -13.674 1.00 0.00 O ATOM 2356 CB THR A 147 -0.524 18.035 -12.633 1.00 0.00 C ATOM 2357 OG1 THR A 147 0.572 17.975 -11.738 1.00 0.00 O ATOM 2358 CG2 THR A 147 -1.266 19.327 -12.365 1.00 0.00 C ATOM 0 H THR A 147 -0.048 15.329 -13.137 1.00 0.00 H new ATOM 0 HA THR A 147 -2.038 16.904 -11.613 1.00 0.00 H new ATOM 0 HB THR A 147 -0.188 18.037 -13.670 1.00 0.00 H new ATOM 0 HG1 THR A 147 1.125 18.777 -11.843 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.584 20.169 -12.481 1.00 0.00 H new ATOM 0 HG22 THR A 147 -2.090 19.427 -13.072 1.00 0.00 H new ATOM 0 HG23 THR A 147 -1.660 19.316 -11.349 1.00 0.00 H new ATOM 2366 N TYR A 148 -1.716 16.181 -14.820 1.00 0.00 N ATOM 2367 CA TYR A 148 -2.459 15.995 -16.060 1.00 0.00 C ATOM 2368 C TYR A 148 -1.680 15.120 -17.035 1.00 0.00 C ATOM 2369 O TYR A 148 -1.773 15.291 -18.251 1.00 0.00 O ATOM 2370 CB TYR A 148 -2.766 17.348 -16.703 1.00 0.00 C ATOM 2371 CG TYR A 148 -1.529 18.139 -17.069 1.00 0.00 C ATOM 2372 CD1 TYR A 148 -0.926 18.987 -16.149 1.00 0.00 C ATOM 2373 CD2 TYR A 148 -0.967 18.038 -18.335 1.00 0.00 C ATOM 2374 CE1 TYR A 148 0.203 19.712 -16.479 1.00 0.00 C ATOM 2375 CE2 TYR A 148 0.162 18.760 -18.674 1.00 0.00 C ATOM 2376 CZ TYR A 148 0.743 19.594 -17.742 1.00 0.00 C ATOM 2377 OH TYR A 148 1.868 20.314 -18.075 1.00 0.00 O ATOM 0 H TYR A 148 -0.730 15.924 -14.877 1.00 0.00 H new ATOM 0 HA TYR A 148 -3.397 15.494 -15.821 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -3.363 17.187 -17.601 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -3.374 17.937 -16.017 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -1.347 19.081 -15.159 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -1.419 17.385 -19.066 1.00 0.00 H new ATOM 0 HE1 TYR A 148 0.660 20.367 -15.752 1.00 0.00 H new ATOM 0 HE2 TYR A 148 0.587 18.671 -19.663 1.00 0.00 H new ATOM 0 HH TYR A 148 2.121 20.116 -19.001 1.00 0.00 H new ATOM 2387 N ASN A 149 -0.908 14.182 -16.494 1.00 0.00 N ATOM 2388 CA ASN A 149 -0.112 13.278 -17.317 1.00 0.00 C ATOM 2389 C ASN A 149 0.306 12.045 -16.521 1.00 0.00 C ATOM 2390 O ASN A 149 1.107 12.137 -15.592 1.00 0.00 O ATOM 2391 CB ASN A 149 1.127 14.000 -17.850 1.00 0.00 C ATOM 2392 CG ASN A 149 1.933 14.658 -16.747 1.00 0.00 C ATOM 2393 OD1 ASN A 149 1.455 15.571 -16.073 1.00 0.00 O ATOM 2394 ND2 ASN A 149 3.163 14.196 -16.556 1.00 0.00 N ATOM 0 H ASN A 149 -0.817 14.028 -15.490 1.00 0.00 H new ATOM 0 HA ASN A 149 -0.726 12.955 -18.158 1.00 0.00 H new ATOM 0 HB2 ASN A 149 1.758 13.288 -18.382 1.00 0.00 H new ATOM 0 HB3 ASN A 149 0.820 14.756 -18.573 1.00 0.00 H new ATOM 0 HD21 ASN A 149 3.752 14.599 -15.827 1.00 0.00 H new ATOM 0 HD22 ASN A 149 3.519 13.438 -17.138 1.00 0.00 H new ATOM 2401 N ASN A 150 -0.243 10.894 -16.894 1.00 0.00 N ATOM 2402 CA ASN A 150 0.074 9.642 -16.215 1.00 0.00 C ATOM 2403 C ASN A 150 0.925 8.741 -17.105 1.00 0.00 C ATOM 2404 O ASN A 150 1.145 9.040 -18.279 1.00 0.00 O ATOM 2405 CB ASN A 150 -1.213 8.918 -15.813 1.00 0.00 C ATOM 2406 CG ASN A 150 -1.228 8.536 -14.346 1.00 0.00 C ATOM 2407 OD1 ASN A 150 -0.540 9.146 -13.527 1.00 0.00 O ATOM 2408 ND2 ASN A 150 -2.013 7.520 -14.005 1.00 0.00 N ATOM 0 H ASN A 150 -0.909 10.802 -17.661 1.00 0.00 H new ATOM 0 HA ASN A 150 0.646 9.877 -15.317 1.00 0.00 H new ATOM 0 HB2 ASN A 150 -2.069 9.558 -16.028 1.00 0.00 H new ATOM 0 HB3 ASN A 150 -1.326 8.020 -16.420 1.00 0.00 H new ATOM 0 HD21 ASN A 150 -2.062 7.218 -13.032 1.00 0.00 H new ATOM 0 HD22 ASN A 150 -2.567 7.042 -14.716 1.00 0.00 H new ATOM 2415 N GLY A 151 1.400 7.637 -16.538 1.00 0.00 N ATOM 2416 CA GLY A 151 2.221 6.710 -17.294 1.00 0.00 C ATOM 2417 C GLY A 151 3.695 7.059 -17.235 1.00 0.00 C ATOM 2418 O GLY A 151 4.422 6.882 -18.212 1.00 0.00 O ATOM 0 H GLY A 151 1.231 7.368 -15.569 1.00 0.00 H new ATOM 0 HA2 GLY A 151 2.074 5.701 -16.908 1.00 0.00 H new ATOM 0 HA3 GLY A 151 1.894 6.704 -18.334 1.00 0.00 H new ATOM 2422 N ASN A 152 4.138 7.558 -16.085 1.00 0.00 N ATOM 2423 CA ASN A 152 5.535 7.934 -15.902 1.00 0.00 C ATOM 2424 C ASN A 152 5.884 8.022 -14.420 1.00 0.00 C ATOM 2425 O ASN A 152 6.888 7.464 -13.975 1.00 0.00 O ATOM 2426 CB ASN A 152 5.818 9.273 -16.585 1.00 0.00 C ATOM 2427 CG ASN A 152 7.254 9.388 -17.059 1.00 0.00 C ATOM 2428 OD1 ASN A 152 7.633 8.804 -18.074 1.00 0.00 O ATOM 2429 ND2 ASN A 152 8.061 10.143 -16.323 1.00 0.00 N ATOM 0 H ASN A 152 3.549 7.711 -15.266 1.00 0.00 H new ATOM 0 HA ASN A 152 6.156 7.163 -16.358 1.00 0.00 H new ATOM 0 HB2 ASN A 152 5.147 9.393 -17.435 1.00 0.00 H new ATOM 0 HB3 ASN A 152 5.601 10.085 -15.891 1.00 0.00 H new ATOM 0 HD21 ASN A 152 9.038 10.257 -16.592 1.00 0.00 H new ATOM 0 HD22 ASN A 152 7.704 10.609 -15.489 1.00 0.00 H new ATOM 2436 N VAL A 153 5.051 8.726 -13.661 1.00 0.00 N ATOM 2437 CA VAL A 153 5.273 8.888 -12.229 1.00 0.00 C ATOM 2438 C VAL A 153 4.972 7.594 -11.477 1.00 0.00 C ATOM 2439 O VAL A 153 3.867 7.059 -11.561 1.00 0.00 O ATOM 2440 CB VAL A 153 4.407 10.022 -11.648 1.00 0.00 C ATOM 2441 CG1 VAL A 153 4.773 11.353 -12.285 1.00 0.00 C ATOM 2442 CG2 VAL A 153 2.927 9.721 -11.838 1.00 0.00 C ATOM 0 H VAL A 153 4.216 9.194 -14.014 1.00 0.00 H new ATOM 0 HA VAL A 153 6.324 9.145 -12.099 1.00 0.00 H new ATOM 0 HB VAL A 153 4.604 10.090 -10.578 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.151 12.142 -11.862 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.822 11.574 -12.089 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.609 11.299 -13.361 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.334 10.535 -11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 153 2.709 9.622 -12.901 1.00 0.00 H new ATOM 0 HG23 VAL A 153 2.677 8.791 -11.328 1.00 0.00 H new ATOM 2452 N TYR A 154 5.962 7.099 -10.743 1.00 0.00 N ATOM 2453 CA TYR A 154 5.803 5.869 -9.976 1.00 0.00 C ATOM 2454 C TYR A 154 6.439 6.001 -8.595 1.00 0.00 C ATOM 2455 O TYR A 154 7.530 6.553 -8.454 1.00 0.00 O ATOM 2456 CB TYR A 154 6.427 4.691 -10.726 1.00 0.00 C ATOM 2457 CG TYR A 154 7.796 4.989 -11.294 1.00 0.00 C ATOM 2458 CD1 TYR A 154 8.916 5.030 -10.472 1.00 0.00 C ATOM 2459 CD2 TYR A 154 7.968 5.232 -12.651 1.00 0.00 C ATOM 2460 CE1 TYR A 154 10.169 5.304 -10.987 1.00 0.00 C ATOM 2461 CE2 TYR A 154 9.218 5.505 -13.173 1.00 0.00 C ATOM 2462 CZ TYR A 154 10.314 5.540 -12.338 1.00 0.00 C ATOM 2463 OH TYR A 154 11.561 5.812 -12.854 1.00 0.00 O ATOM 0 H TYR A 154 6.883 7.530 -10.663 1.00 0.00 H new ATOM 0 HA TYR A 154 4.736 5.686 -9.849 1.00 0.00 H new ATOM 0 HB2 TYR A 154 6.501 3.839 -10.050 1.00 0.00 H new ATOM 0 HB3 TYR A 154 5.763 4.396 -11.538 1.00 0.00 H new ATOM 0 HD1 TYR A 154 8.805 4.845 -9.414 1.00 0.00 H new ATOM 0 HD2 TYR A 154 7.111 5.207 -13.308 1.00 0.00 H new ATOM 0 HE1 TYR A 154 11.030 5.333 -10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 154 9.336 5.690 -14.230 1.00 0.00 H new ATOM 0 HH TYR A 154 11.491 5.953 -13.821 1.00 0.00 H new ATOM 2473 N PHE A 155 5.749 5.491 -7.580 1.00 0.00 N ATOM 2474 CA PHE A 155 6.246 5.551 -6.211 1.00 0.00 C ATOM 2475 C PHE A 155 6.437 4.149 -5.639 1.00 0.00 C ATOM 2476 O PHE A 155 5.730 3.213 -6.015 1.00 0.00 O ATOM 2477 CB PHE A 155 5.281 6.350 -5.332 1.00 0.00 C ATOM 2478 CG PHE A 155 5.850 7.654 -4.848 1.00 0.00 C ATOM 2479 CD1 PHE A 155 6.733 7.687 -3.781 1.00 0.00 C ATOM 2480 CD2 PHE A 155 5.501 8.847 -5.461 1.00 0.00 C ATOM 2481 CE1 PHE A 155 7.259 8.885 -3.334 1.00 0.00 C ATOM 2482 CE2 PHE A 155 6.023 10.048 -5.019 1.00 0.00 C ATOM 2483 CZ PHE A 155 6.903 10.067 -3.954 1.00 0.00 C ATOM 0 H PHE A 155 4.844 5.032 -7.680 1.00 0.00 H new ATOM 0 HA PHE A 155 7.214 6.052 -6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 155 4.369 6.547 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 155 5.000 5.744 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 155 7.014 6.766 -3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 155 4.813 8.838 -6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 155 7.947 8.897 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 155 5.743 10.971 -5.506 1.00 0.00 H new ATOM 0 HZ PHE A 155 7.312 11.004 -3.607 1.00 0.00 H new ATOM 2493 N ALA A 156 7.396 4.012 -4.729 1.00 0.00 N ATOM 2494 CA ALA A 156 7.679 2.725 -4.105 1.00 0.00 C ATOM 2495 C ALA A 156 7.631 2.830 -2.585 1.00 0.00 C ATOM 2496 O ALA A 156 7.596 3.927 -2.029 1.00 0.00 O ATOM 2497 CB ALA A 156 9.036 2.208 -4.559 1.00 0.00 C ATOM 0 H ALA A 156 7.990 4.776 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 156 6.910 2.019 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 156 9.236 1.246 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 156 9.035 2.087 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 156 9.811 2.920 -4.274 1.00 0.00 H new ATOM 2503 N TRP A 157 7.628 1.680 -1.918 1.00 0.00 N ATOM 2504 CA TRP A 157 7.584 1.642 -0.461 1.00 0.00 C ATOM 2505 C TRP A 157 8.058 0.290 0.063 1.00 0.00 C ATOM 2506 O TRP A 157 7.724 -0.755 -0.495 1.00 0.00 O ATOM 2507 CB TRP A 157 6.165 1.925 0.034 1.00 0.00 C ATOM 2508 CG TRP A 157 6.125 2.763 1.276 1.00 0.00 C ATOM 2509 CD1 TRP A 157 6.710 2.479 2.477 1.00 0.00 C ATOM 2510 CD2 TRP A 157 5.464 4.023 1.439 1.00 0.00 C ATOM 2511 NE1 TRP A 157 6.453 3.485 3.377 1.00 0.00 N ATOM 2512 CE2 TRP A 157 5.690 4.445 2.764 1.00 0.00 C ATOM 2513 CE3 TRP A 157 4.701 4.836 0.595 1.00 0.00 C ATOM 2514 CZ2 TRP A 157 5.182 5.642 3.262 1.00 0.00 C ATOM 2515 CZ3 TRP A 157 4.198 6.024 1.090 1.00 0.00 C ATOM 2516 CH2 TRP A 157 4.441 6.417 2.413 1.00 0.00 C ATOM 0 H TRP A 157 7.656 0.763 -2.363 1.00 0.00 H new ATOM 0 HA TRP A 157 8.254 2.413 -0.082 1.00 0.00 H new ATOM 0 HB2 TRP A 157 5.607 2.430 -0.754 1.00 0.00 H new ATOM 0 HB3 TRP A 157 5.660 0.979 0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 157 7.290 1.593 2.689 1.00 0.00 H new ATOM 0 HE1 TRP A 157 6.777 3.513 4.344 1.00 0.00 H new ATOM 0 HE3 TRP A 157 4.508 4.541 -0.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 5.366 5.947 4.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 3.608 6.660 0.447 1.00 0.00 H new ATOM 0 HH2 TRP A 157 4.034 7.352 2.770 1.00 0.00 H new ATOM 2527 N MET A 158 8.838 0.318 1.139 1.00 0.00 N ATOM 2528 CA MET A 158 9.358 -0.906 1.737 1.00 0.00 C ATOM 2529 C MET A 158 8.410 -1.429 2.812 1.00 0.00 C ATOM 2530 O MET A 158 7.891 -0.664 3.623 1.00 0.00 O ATOM 2531 CB MET A 158 10.742 -0.657 2.338 1.00 0.00 C ATOM 2532 CG MET A 158 11.699 -1.825 2.167 1.00 0.00 C ATOM 2533 SD MET A 158 11.601 -3.008 3.524 1.00 0.00 S ATOM 2534 CE MET A 158 11.706 -4.557 2.631 1.00 0.00 C ATOM 0 H MET A 158 9.124 1.174 1.614 1.00 0.00 H new ATOM 0 HA MET A 158 9.441 -1.658 0.953 1.00 0.00 H new ATOM 0 HB2 MET A 158 11.176 0.229 1.874 1.00 0.00 H new ATOM 0 HB3 MET A 158 10.634 -0.440 3.401 1.00 0.00 H new ATOM 0 HG2 MET A 158 11.480 -2.335 1.229 1.00 0.00 H new ATOM 0 HG3 MET A 158 12.718 -1.446 2.093 1.00 0.00 H new ATOM 0 HE1 MET A 158 11.838 -5.376 3.338 1.00 0.00 H new ATOM 0 HE2 MET A 158 10.789 -4.712 2.062 1.00 0.00 H new ATOM 0 HE3 MET A 158 12.555 -4.527 1.949 1.00 0.00 H new ATOM 2544 N ARG A 159 8.188 -2.740 2.810 1.00 0.00 N ATOM 2545 CA ARG A 159 7.301 -3.367 3.784 1.00 0.00 C ATOM 2546 C ARG A 159 8.040 -4.436 4.584 1.00 0.00 C ATOM 2547 O ARG A 159 8.835 -5.198 4.035 1.00 0.00 O ATOM 2548 CB ARG A 159 6.094 -3.987 3.079 1.00 0.00 C ATOM 2549 CG ARG A 159 4.990 -4.421 4.030 1.00 0.00 C ATOM 2550 CD ARG A 159 4.279 -5.669 3.530 1.00 0.00 C ATOM 2551 NE ARG A 159 2.829 -5.498 3.500 1.00 0.00 N ATOM 2552 CZ ARG A 159 2.006 -6.267 2.791 1.00 0.00 C ATOM 2553 NH1 ARG A 159 2.486 -7.263 2.056 1.00 0.00 N ATOM 2554 NH2 ARG A 159 0.699 -6.043 2.819 1.00 0.00 N ATOM 0 H ARG A 159 8.610 -3.388 2.145 1.00 0.00 H new ATOM 0 HA ARG A 159 6.956 -2.596 4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 159 5.688 -3.266 2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 159 6.425 -4.850 2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 159 5.413 -4.613 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 159 4.269 -3.612 4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 159 4.636 -5.913 2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 159 4.531 -6.512 4.173 1.00 0.00 H new ATOM 0 HE ARG A 159 2.423 -4.745 4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 159 3.490 -7.442 2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 159 1.851 -7.849 1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 159 0.324 -5.281 3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.069 -6.633 2.275 1.00 0.00 H new ATOM 2568 N PHE A 160 7.772 -4.484 5.885 1.00 0.00 N ATOM 2569 CA PHE A 160 8.411 -5.459 6.761 1.00 0.00 C ATOM 2570 C PHE A 160 7.422 -5.998 7.790 1.00 0.00 C ATOM 2571 O PHE A 160 6.762 -5.231 8.491 1.00 0.00 O ATOM 2572 CB PHE A 160 9.611 -4.829 7.470 1.00 0.00 C ATOM 2573 CG PHE A 160 10.747 -5.787 7.692 1.00 0.00 C ATOM 2574 CD1 PHE A 160 10.787 -6.586 8.823 1.00 0.00 C ATOM 2575 CD2 PHE A 160 11.776 -5.886 6.769 1.00 0.00 C ATOM 2576 CE1 PHE A 160 11.830 -7.468 9.029 1.00 0.00 C ATOM 2577 CE2 PHE A 160 12.823 -6.766 6.970 1.00 0.00 C ATOM 2578 CZ PHE A 160 12.850 -7.558 8.101 1.00 0.00 C ATOM 0 H PHE A 160 7.117 -3.859 6.356 1.00 0.00 H new ATOM 0 HA PHE A 160 8.756 -6.291 6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 160 9.968 -3.984 6.881 1.00 0.00 H new ATOM 0 HB3 PHE A 160 9.287 -4.432 8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 160 9.993 -6.519 9.552 1.00 0.00 H new ATOM 0 HD2 PHE A 160 11.760 -5.269 5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 160 11.848 -8.086 9.914 1.00 0.00 H new ATOM 0 HE2 PHE A 160 13.619 -6.834 6.243 1.00 0.00 H new ATOM 0 HZ PHE A 160 13.667 -8.246 8.260 1.00 0.00 H new ATOM 2588 N GLN A 161 7.325 -7.320 7.874 1.00 0.00 N ATOM 2589 CA GLN A 161 6.416 -7.961 8.818 1.00 0.00 C ATOM 2590 C GLN A 161 7.182 -8.540 10.004 1.00 0.00 C ATOM 2591 O GLN A 161 7.999 -9.446 9.845 1.00 0.00 O ATOM 2592 CB GLN A 161 5.621 -9.068 8.120 1.00 0.00 C ATOM 2593 CG GLN A 161 4.544 -8.545 7.184 1.00 0.00 C ATOM 2594 CD GLN A 161 4.474 -9.323 5.885 1.00 0.00 C ATOM 2595 OE1 GLN A 161 4.457 -8.741 4.800 1.00 0.00 O ATOM 2596 NE2 GLN A 161 4.433 -10.646 5.989 1.00 0.00 N ATOM 0 H GLN A 161 7.864 -7.969 7.300 1.00 0.00 H new ATOM 0 HA GLN A 161 5.725 -7.205 9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 161 6.309 -9.696 7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 161 5.158 -9.703 8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 161 3.577 -8.594 7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 161 4.737 -7.495 6.965 1.00 0.00 H new ATOM 0 HE21 GLN A 161 4.449 -11.086 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 161 4.385 -11.222 5.149 1.00 0.00 H new ATOM 2605 N PHE A 162 6.912 -8.010 11.191 1.00 0.00 N ATOM 2606 CA PHE A 162 7.576 -8.473 12.404 1.00 0.00 C ATOM 2607 C PHE A 162 6.577 -8.622 13.548 1.00 0.00 C ATOM 2608 O PHE A 162 5.390 -8.335 13.389 1.00 0.00 O ATOM 2609 CB PHE A 162 8.688 -7.503 12.805 1.00 0.00 C ATOM 2610 CG PHE A 162 9.917 -8.186 13.335 1.00 0.00 C ATOM 2611 CD1 PHE A 162 10.756 -8.888 12.484 1.00 0.00 C ATOM 2612 CD2 PHE A 162 10.234 -8.125 14.682 1.00 0.00 C ATOM 2613 CE1 PHE A 162 11.887 -9.516 12.968 1.00 0.00 C ATOM 2614 CE2 PHE A 162 11.363 -8.751 15.172 1.00 0.00 C ATOM 2615 CZ PHE A 162 12.191 -9.449 14.314 1.00 0.00 C ATOM 0 H PHE A 162 6.238 -7.259 11.340 1.00 0.00 H new ATOM 0 HA PHE A 162 8.014 -9.450 12.198 1.00 0.00 H new ATOM 0 HB2 PHE A 162 8.962 -6.899 11.940 1.00 0.00 H new ATOM 0 HB3 PHE A 162 8.307 -6.819 13.563 1.00 0.00 H new ATOM 0 HD1 PHE A 162 10.523 -8.945 11.431 1.00 0.00 H new ATOM 0 HD2 PHE A 162 9.590 -7.581 15.357 1.00 0.00 H new ATOM 0 HE1 PHE A 162 12.533 -10.059 12.295 1.00 0.00 H new ATOM 0 HE2 PHE A 162 11.599 -8.695 16.225 1.00 0.00 H new ATOM 0 HZ PHE A 162 13.074 -9.941 14.695 1.00 0.00 H new ATOM 2625 N LEU A 163 7.065 -9.071 14.699 1.00 0.00 N ATOM 2626 CA LEU A 163 6.215 -9.257 15.870 1.00 0.00 C ATOM 2627 C LEU A 163 6.687 -8.386 17.030 1.00 0.00 C ATOM 2628 O LEU A 163 7.809 -7.878 17.022 1.00 0.00 O ATOM 2629 CB LEU A 163 6.207 -10.728 16.292 1.00 0.00 C ATOM 2630 CG LEU A 163 5.115 -11.581 15.642 1.00 0.00 C ATOM 2631 CD1 LEU A 163 5.191 -13.015 16.145 1.00 0.00 C ATOM 2632 CD2 LEU A 163 3.742 -10.988 15.919 1.00 0.00 C ATOM 0 H LEU A 163 8.045 -9.313 14.847 1.00 0.00 H new ATOM 0 HA LEU A 163 5.202 -8.957 15.603 1.00 0.00 H new ATOM 0 HB2 LEU A 163 7.177 -11.164 16.054 1.00 0.00 H new ATOM 0 HB3 LEU A 163 6.091 -10.779 17.375 1.00 0.00 H new ATOM 0 HG LEU A 163 5.275 -11.586 14.564 1.00 0.00 H new ATOM 0 HD11 LEU A 163 4.408 -13.608 15.673 1.00 0.00 H new ATOM 0 HD12 LEU A 163 6.165 -13.437 15.896 1.00 0.00 H new ATOM 0 HD13 LEU A 163 5.055 -13.029 17.226 1.00 0.00 H new ATOM 0 HD21 LEU A 163 2.977 -11.607 15.450 1.00 0.00 H new ATOM 0 HD22 LEU A 163 3.571 -10.953 16.995 1.00 0.00 H new ATOM 0 HD23 LEU A 163 3.693 -9.978 15.511 1.00 0.00 H new ATOM 2644 N GLU A 164 5.824 -8.217 18.026 1.00 0.00 N ATOM 2645 CA GLU A 164 6.151 -7.407 19.193 1.00 0.00 C ATOM 2646 C GLU A 164 6.374 -8.286 20.419 1.00 0.00 C ATOM 2647 O GLU A 164 5.446 -8.549 21.184 1.00 0.00 O ATOM 2648 CB GLU A 164 5.035 -6.399 19.470 1.00 0.00 C ATOM 2649 CG GLU A 164 5.398 -5.364 20.524 1.00 0.00 C ATOM 2650 CD GLU A 164 5.745 -4.016 19.921 1.00 0.00 C ATOM 2651 OE1 GLU A 164 5.110 -3.633 18.917 1.00 0.00 O ATOM 2652 OE2 GLU A 164 6.653 -3.344 20.455 1.00 0.00 O ATOM 0 H GLU A 164 4.892 -8.631 18.048 1.00 0.00 H new ATOM 0 HA GLU A 164 7.074 -6.867 18.982 1.00 0.00 H new ATOM 0 HB2 GLU A 164 4.781 -5.887 18.542 1.00 0.00 H new ATOM 0 HB3 GLU A 164 4.143 -6.936 19.792 1.00 0.00 H new ATOM 0 HG2 GLU A 164 4.563 -5.245 21.214 1.00 0.00 H new ATOM 0 HG3 GLU A 164 6.245 -5.726 21.107 1.00 0.00 H new ATOM 2660 N HIS A 165 7.611 -8.737 20.600 1.00 0.00 N ATOM 2661 CA HIS A 165 7.957 -9.587 21.734 1.00 0.00 C ATOM 2662 C HIS A 165 7.688 -8.869 23.054 1.00 0.00 C ATOM 2663 O HIS A 165 7.775 -7.644 23.134 1.00 0.00 O ATOM 2664 CB HIS A 165 9.427 -10.002 21.658 1.00 0.00 C ATOM 2665 CG HIS A 165 10.365 -8.850 21.464 1.00 0.00 C ATOM 2666 ND1 HIS A 165 10.485 -7.817 22.370 1.00 0.00 N ATOM 2667 CD2 HIS A 165 11.230 -8.571 20.461 1.00 0.00 C ATOM 2668 CE1 HIS A 165 11.383 -6.954 21.932 1.00 0.00 C ATOM 2669 NE2 HIS A 165 11.851 -7.387 20.777 1.00 0.00 N ATOM 0 H HIS A 165 8.391 -8.528 19.976 1.00 0.00 H new ATOM 0 HA HIS A 165 7.332 -10.479 21.691 1.00 0.00 H new ATOM 0 HB2 HIS A 165 9.695 -10.528 22.574 1.00 0.00 H new ATOM 0 HB3 HIS A 165 9.555 -10.707 20.836 1.00 0.00 H new ATOM 0 HD1 HIS A 165 9.962 -7.733 23.242 1.00 0.00 H new ATOM 0 HD2 HIS A 165 11.400 -9.168 19.577 1.00 0.00 H new ATOM 0 HE1 HIS A 165 11.684 -6.047 22.434 1.00 0.00 H new ATOM 2678 N HIS A 166 7.359 -9.642 24.085 1.00 0.00 N ATOM 2679 CA HIS A 166 7.077 -9.079 25.401 1.00 0.00 C ATOM 2680 C HIS A 166 8.288 -8.324 25.940 1.00 0.00 C ATOM 2681 O HIS A 166 9.273 -8.930 26.361 1.00 0.00 O ATOM 2682 CB HIS A 166 6.677 -10.186 26.376 1.00 0.00 C ATOM 2683 CG HIS A 166 7.749 -11.208 26.597 1.00 0.00 C ATOM 2684 ND1 HIS A 166 8.425 -11.344 27.789 1.00 0.00 N ATOM 2685 CD2 HIS A 166 8.261 -12.148 25.767 1.00 0.00 C ATOM 2686 CE1 HIS A 166 9.308 -12.322 27.685 1.00 0.00 C ATOM 2687 NE2 HIS A 166 9.227 -12.827 26.468 1.00 0.00 N ATOM 0 H HIS A 166 7.281 -10.658 24.035 1.00 0.00 H new ATOM 0 HA HIS A 166 6.249 -8.377 25.299 1.00 0.00 H new ATOM 0 HB2 HIS A 166 6.412 -9.737 27.333 1.00 0.00 H new ATOM 0 HB3 HIS A 166 5.784 -10.685 26.000 1.00 0.00 H new ATOM 0 HD2 HIS A 166 7.965 -12.330 24.744 1.00 0.00 H new ATOM 0 HE1 HIS A 166 9.981 -12.652 28.463 1.00 0.00 H new ATOM 0 HE2 HIS A 166 9.791 -13.597 26.107 1.00 0.00 H new ATOM 2696 N HIS A 167 8.206 -6.998 25.926 1.00 0.00 N ATOM 2697 CA HIS A 167 9.295 -6.159 26.415 1.00 0.00 C ATOM 2698 C HIS A 167 9.467 -6.317 27.923 1.00 0.00 C ATOM 2699 O HIS A 167 10.578 -6.518 28.413 1.00 0.00 O ATOM 2700 CB HIS A 167 9.032 -4.692 26.068 1.00 0.00 C ATOM 2701 CG HIS A 167 10.250 -3.963 25.591 1.00 0.00 C ATOM 2702 ND1 HIS A 167 10.588 -3.857 24.259 1.00 0.00 N ATOM 2703 CD2 HIS A 167 11.211 -3.301 26.276 1.00 0.00 C ATOM 2704 CE1 HIS A 167 11.707 -3.161 24.145 1.00 0.00 C ATOM 2705 NE2 HIS A 167 12.104 -2.812 25.354 1.00 0.00 N ATOM 0 H HIS A 167 7.397 -6.481 25.582 1.00 0.00 H new ATOM 0 HA HIS A 167 10.216 -6.479 25.928 1.00 0.00 H new ATOM 0 HB2 HIS A 167 8.263 -4.642 25.297 1.00 0.00 H new ATOM 0 HB3 HIS A 167 8.636 -4.184 26.947 1.00 0.00 H new ATOM 0 HD2 HIS A 167 11.266 -3.180 27.348 1.00 0.00 H new ATOM 0 HE1 HIS A 167 12.210 -2.920 23.220 1.00 0.00 H new ATOM 0 HE2 HIS A 167 12.939 -2.267 25.569 1.00 0.00 H new ATOM 2714 N HIS A 168 8.360 -6.224 28.652 1.00 0.00 N ATOM 2715 CA HIS A 168 8.387 -6.357 30.104 1.00 0.00 C ATOM 2716 C HIS A 168 7.014 -6.749 30.640 1.00 0.00 C ATOM 2717 O HIS A 168 6.868 -7.764 31.321 1.00 0.00 O ATOM 2718 CB HIS A 168 8.848 -5.046 30.748 1.00 0.00 C ATOM 2719 CG HIS A 168 10.253 -5.095 31.262 1.00 0.00 C ATOM 2720 ND1 HIS A 168 11.276 -4.337 30.733 1.00 0.00 N ATOM 2721 CD2 HIS A 168 10.805 -5.818 32.266 1.00 0.00 C ATOM 2722 CE1 HIS A 168 12.395 -4.591 31.388 1.00 0.00 C ATOM 2723 NE2 HIS A 168 12.135 -5.486 32.323 1.00 0.00 N ATOM 0 H HIS A 168 7.433 -6.057 28.261 1.00 0.00 H new ATOM 0 HA HIS A 168 9.094 -7.146 30.360 1.00 0.00 H new ATOM 0 HB2 HIS A 168 8.765 -4.242 30.016 1.00 0.00 H new ATOM 0 HB3 HIS A 168 8.177 -4.799 31.571 1.00 0.00 H new ATOM 0 HD2 HIS A 168 10.293 -6.524 32.903 1.00 0.00 H new ATOM 0 HE1 HIS A 168 13.358 -4.143 31.192 1.00 0.00 H new ATOM 0 HE2 HIS A 168 12.813 -5.869 32.981 1.00 0.00 H new ATOM 2732 N HIS A 169 6.008 -5.938 30.326 1.00 0.00 N ATOM 2733 CA HIS A 169 4.646 -6.200 30.777 1.00 0.00 C ATOM 2734 C HIS A 169 3.632 -5.744 29.732 1.00 0.00 C ATOM 2735 O HIS A 169 3.996 -5.389 28.611 1.00 0.00 O ATOM 2736 CB HIS A 169 4.383 -5.494 32.109 1.00 0.00 C ATOM 2737 CG HIS A 169 4.164 -6.437 33.252 1.00 0.00 C ATOM 2738 ND1 HIS A 169 4.275 -6.058 34.573 1.00 0.00 N ATOM 2739 CD2 HIS A 169 3.836 -7.750 33.266 1.00 0.00 C ATOM 2740 CE1 HIS A 169 4.027 -7.096 35.350 1.00 0.00 C ATOM 2741 NE2 HIS A 169 3.758 -8.136 34.582 1.00 0.00 N ATOM 0 H HIS A 169 6.111 -5.095 29.761 1.00 0.00 H new ATOM 0 HA HIS A 169 4.535 -7.275 30.918 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.228 -4.845 32.340 1.00 0.00 H new ATOM 0 HB3 HIS A 169 3.508 -4.853 32.005 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.667 -8.377 32.403 1.00 0.00 H new ATOM 0 HE1 HIS A 169 4.042 -7.095 36.430 1.00 0.00 H new ATOM 0 HE2 HIS A 169 3.529 -9.074 34.912 1.00 0.00 H new ATOM 2750 N HIS A 170 2.357 -5.755 30.109 1.00 0.00 N ATOM 2751 CA HIS A 170 1.290 -5.342 29.205 1.00 0.00 C ATOM 2752 C HIS A 170 0.845 -3.915 29.504 1.00 0.00 C ATOM 2753 O HIS A 170 0.496 -3.637 30.671 1.00 0.00 O ATOM 2754 CB HIS A 170 0.098 -6.295 29.320 1.00 0.00 C ATOM 2755 CG HIS A 170 -0.777 -6.307 28.106 1.00 0.00 C ATOM 2756 ND1 HIS A 170 -2.102 -6.689 28.138 1.00 0.00 N ATOM 2757 CD2 HIS A 170 -0.513 -5.980 26.819 1.00 0.00 C ATOM 2758 CE1 HIS A 170 -2.615 -6.597 26.924 1.00 0.00 C ATOM 2759 NE2 HIS A 170 -1.671 -6.169 26.105 1.00 0.00 N ATOM 2760 OXT HIS A 170 0.849 -3.086 28.569 1.00 0.00 O ATOM 0 H HIS A 170 2.038 -6.045 31.033 1.00 0.00 H new ATOM 0 HA HIS A 170 1.677 -5.376 28.187 1.00 0.00 H new ATOM 0 HB2 HIS A 170 0.467 -7.304 29.502 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -0.500 -6.013 30.186 1.00 0.00 H new ATOM 0 HD2 HIS A 170 0.432 -5.635 26.427 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -3.632 -6.832 26.648 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -1.784 -6.005 25.105 1.00 0.00 H new TER 2769 HIS A 170