USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 96 ASN : amide:sc= 1.43 K(o=2.3,f=-11!) USER MOD Set 1.2: A 99 HIS : no HE2:sc= 0.867 K(o=2.3,f=-8.2!) USER MOD Set 2.1: A 6 SER OG : rot 48:sc= 0.163 USER MOD Set 2.2: A 54 MET CE :methyl 170:sc= -1.58 (180deg=-1.89) USER MOD Set 2.3: A 71 GLN : amide:sc= -1.45! C(o=-2.9!,f=-7.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00934 (180deg=-0.236) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -66:sc= 1.18 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 72:sc= 0.592 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 99:sc= 1.29 USER MOD Single : A 23 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc=-0.00298 (180deg=-0.162) USER MOD Single : A 42 THR OG1 : rot 88:sc= 0.12 USER MOD Single : A 43 THR OG1 : rot -69:sc= 0.00824 USER MOD Single : A 44 MET CE :methyl -162:sc= 0 (180deg=-0.129) USER MOD Single : A 46 TYR OH : rot 28:sc= 0.893 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0.497 (180deg=0.309) USER MOD Single : A 52 ASN :FLIP amide:sc=-0.00766 F(o=-0.86,f=-0.0077) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0523) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 33:sc= 0.154 USER MOD Single : A 67 ASN : amide:sc= 1.1 K(o=1.1,f=-2.2!) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.0948 F(o=-0.5,f=0.095) USER MOD Single : A 74 HIS : no HE2:sc= 0.449 K(o=0.45,f=-1.5!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0416 K(o=-0.042,f=-3.2!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00409 USER MOD Single : A 95 ASN : amide:sc=-0.00507 K(o=-0.0051,f=-0.94) USER MOD Single : A 106 LYS NZ :NH3+ 145:sc= 1.26 (180deg=1.1) USER MOD Single : A 109 GLN : amide:sc= -0.287 K(o=-0.29,f=-2.8!) USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0559) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.057) USER MOD Single : A 112 ASN : amide:sc= 0.327 K(o=0.33,f=-0.34) USER MOD Single : A 114 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -120:sc= -0.757 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 170:sc=-0.00597 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.098 12.768 -17.094 1.00 0.00 N ATOM 2 CA MET A 1 15.472 11.681 -16.303 1.00 0.00 C ATOM 3 C MET A 1 15.412 12.057 -14.828 1.00 0.00 C ATOM 4 O MET A 1 16.366 11.835 -14.082 1.00 0.00 O ATOM 5 CB MET A 1 16.260 10.376 -16.467 1.00 0.00 C ATOM 6 CG MET A 1 16.261 9.830 -17.885 1.00 0.00 C ATOM 7 SD MET A 1 17.311 8.373 -18.065 1.00 0.00 S ATOM 8 CE MET A 1 17.105 8.027 -19.810 1.00 0.00 C ATOM 0 H1 MET A 1 15.920 12.608 -18.106 1.00 0.00 H new ATOM 0 H2 MET A 1 15.690 13.682 -16.811 1.00 0.00 H new ATOM 0 H3 MET A 1 17.123 12.778 -16.920 1.00 0.00 H new ATOM 0 HA MET A 1 14.457 11.535 -16.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.290 10.543 -16.152 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.841 9.624 -15.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.241 9.576 -18.174 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.602 10.607 -18.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.694 7.150 -20.079 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.053 7.836 -20.021 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.443 8.884 -20.393 1.00 0.00 H new ATOM 20 N GLU A 2 14.301 12.645 -14.411 1.00 0.00 N ATOM 21 CA GLU A 2 14.120 13.021 -13.017 1.00 0.00 C ATOM 22 C GLU A 2 12.966 12.251 -12.406 1.00 0.00 C ATOM 23 O GLU A 2 11.809 12.428 -12.796 1.00 0.00 O ATOM 24 CB GLU A 2 13.869 14.520 -12.884 1.00 0.00 C ATOM 25 CG GLU A 2 14.993 15.382 -13.419 1.00 0.00 C ATOM 26 CD GLU A 2 14.683 16.856 -13.311 1.00 0.00 C ATOM 27 OE1 GLU A 2 15.035 17.470 -12.281 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.079 17.414 -14.252 1.00 0.00 O ATOM 0 H GLU A 2 13.512 12.872 -15.017 1.00 0.00 H new ATOM 0 HA GLU A 2 15.037 12.774 -12.482 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.949 14.772 -13.411 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.710 14.760 -11.833 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.909 15.164 -12.870 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.179 15.127 -14.462 1.00 0.00 H new ATOM 35 N PHE A 3 13.287 11.395 -11.455 1.00 0.00 N ATOM 36 CA PHE A 3 12.278 10.593 -10.785 1.00 0.00 C ATOM 37 C PHE A 3 11.720 11.332 -9.580 1.00 0.00 C ATOM 38 O PHE A 3 12.467 11.801 -8.717 1.00 0.00 O ATOM 39 CB PHE A 3 12.858 9.242 -10.360 1.00 0.00 C ATOM 40 CG PHE A 3 11.871 8.352 -9.658 1.00 0.00 C ATOM 41 CD1 PHE A 3 11.907 8.199 -8.282 1.00 0.00 C ATOM 42 CD2 PHE A 3 10.905 7.670 -10.379 1.00 0.00 C ATOM 43 CE1 PHE A 3 10.997 7.381 -7.637 1.00 0.00 C ATOM 44 CE2 PHE A 3 9.994 6.850 -9.739 1.00 0.00 C ATOM 45 CZ PHE A 3 10.040 6.706 -8.367 1.00 0.00 C ATOM 0 H PHE A 3 14.240 11.236 -11.128 1.00 0.00 H new ATOM 0 HA PHE A 3 11.464 10.414 -11.487 1.00 0.00 H new ATOM 0 HB2 PHE A 3 13.235 8.725 -11.242 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.710 9.414 -9.702 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.654 8.724 -7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 3 10.863 7.780 -11.453 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.035 7.271 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 3 9.246 6.322 -10.313 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.329 6.066 -7.866 1.00 0.00 H new ATOM 55 N THR A 4 10.409 11.445 -9.537 1.00 0.00 N ATOM 56 CA THR A 4 9.731 12.046 -8.407 1.00 0.00 C ATOM 57 C THR A 4 8.976 10.981 -7.633 1.00 0.00 C ATOM 58 O THR A 4 8.248 10.171 -8.211 1.00 0.00 O ATOM 59 CB THR A 4 8.747 13.141 -8.846 1.00 0.00 C ATOM 60 OG1 THR A 4 9.093 13.626 -10.151 1.00 0.00 O ATOM 61 CG2 THR A 4 8.778 14.287 -7.854 1.00 0.00 C ATOM 0 H THR A 4 9.786 11.125 -10.279 1.00 0.00 H new ATOM 0 HA THR A 4 10.492 12.505 -7.776 1.00 0.00 H new ATOM 0 HB THR A 4 7.743 12.717 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.458 14.322 -10.420 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.078 15.061 -8.170 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.494 13.922 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.784 14.704 -7.811 1.00 0.00 H new ATOM 69 N VAL A 5 9.169 10.978 -6.329 1.00 0.00 N ATOM 70 CA VAL A 5 8.505 10.015 -5.467 1.00 0.00 C ATOM 71 C VAL A 5 7.186 10.602 -4.987 1.00 0.00 C ATOM 72 O VAL A 5 7.009 11.824 -4.967 1.00 0.00 O ATOM 73 CB VAL A 5 9.388 9.594 -4.255 1.00 0.00 C ATOM 74 CG1 VAL A 5 10.863 9.729 -4.592 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.046 10.373 -2.997 1.00 0.00 C ATOM 0 H VAL A 5 9.781 11.632 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 5 8.323 9.111 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 5 9.173 8.546 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.462 9.430 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.102 9.089 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.085 10.766 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.688 10.044 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.201 11.437 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.003 10.197 -2.733 1.00 0.00 H new ATOM 85 N SER A 6 6.262 9.735 -4.629 1.00 0.00 N ATOM 86 CA SER A 6 4.931 10.155 -4.244 1.00 0.00 C ATOM 87 C SER A 6 4.881 10.519 -2.762 1.00 0.00 C ATOM 88 O SER A 6 4.661 9.662 -1.908 1.00 0.00 O ATOM 89 CB SER A 6 3.933 9.045 -4.568 1.00 0.00 C ATOM 90 OG SER A 6 4.388 7.795 -4.081 1.00 0.00 O ATOM 0 H SER A 6 6.411 8.726 -4.597 1.00 0.00 H new ATOM 0 HA SER A 6 4.664 11.048 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.965 9.281 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.785 8.987 -5.646 1.00 0.00 H new ATOM 0 HG SER A 6 4.688 7.895 -3.153 1.00 0.00 H new ATOM 96 N THR A 7 5.105 11.795 -2.470 1.00 0.00 N ATOM 97 CA THR A 7 5.055 12.289 -1.102 1.00 0.00 C ATOM 98 C THR A 7 3.611 12.446 -0.633 1.00 0.00 C ATOM 99 O THR A 7 2.680 12.057 -1.340 1.00 0.00 O ATOM 100 CB THR A 7 5.782 13.642 -0.969 1.00 0.00 C ATOM 101 OG1 THR A 7 5.163 14.622 -1.816 1.00 0.00 O ATOM 102 CG2 THR A 7 7.251 13.508 -1.338 1.00 0.00 C ATOM 0 H THR A 7 5.324 12.507 -3.166 1.00 0.00 H new ATOM 0 HA THR A 7 5.560 11.554 -0.475 1.00 0.00 H new ATOM 0 HB THR A 7 5.710 13.962 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.298 14.375 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.742 14.476 -1.236 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.729 12.787 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.337 13.164 -2.369 1.00 0.00 H new ATOM 110 N THR A 8 3.424 13.022 0.547 1.00 0.00 N ATOM 111 CA THR A 8 2.097 13.212 1.106 1.00 0.00 C ATOM 112 C THR A 8 1.207 14.011 0.152 1.00 0.00 C ATOM 113 O THR A 8 0.030 13.697 -0.021 1.00 0.00 O ATOM 114 CB THR A 8 2.176 13.928 2.467 1.00 0.00 C ATOM 115 OG1 THR A 8 3.281 13.414 3.224 1.00 0.00 O ATOM 116 CG2 THR A 8 0.896 13.729 3.257 1.00 0.00 C ATOM 0 H THR A 8 4.181 13.367 1.137 1.00 0.00 H new ATOM 0 HA THR A 8 1.656 12.226 1.250 1.00 0.00 H new ATOM 0 HB THR A 8 2.315 14.993 2.283 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.328 13.874 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.976 14.244 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.055 14.135 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.737 12.665 3.430 1.00 0.00 H new ATOM 124 N GLU A 9 1.783 15.026 -0.483 1.00 0.00 N ATOM 125 CA GLU A 9 1.044 15.852 -1.431 1.00 0.00 C ATOM 126 C GLU A 9 0.607 15.029 -2.642 1.00 0.00 C ATOM 127 O GLU A 9 -0.569 15.028 -3.011 1.00 0.00 O ATOM 128 CB GLU A 9 1.890 17.048 -1.879 1.00 0.00 C ATOM 129 CG GLU A 9 1.158 17.992 -2.817 1.00 0.00 C ATOM 130 CD GLU A 9 -0.085 18.584 -2.186 1.00 0.00 C ATOM 131 OE1 GLU A 9 -1.203 18.164 -2.549 1.00 0.00 O ATOM 132 OE2 GLU A 9 0.051 19.472 -1.318 1.00 0.00 O ATOM 0 H GLU A 9 2.759 15.296 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 9 0.152 16.226 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.215 17.603 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.789 16.681 -2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.830 18.797 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.881 17.456 -3.725 1.00 0.00 H new ATOM 139 N ASP A 10 1.557 14.313 -3.239 1.00 0.00 N ATOM 140 CA ASP A 10 1.276 13.477 -4.402 1.00 0.00 C ATOM 141 C ASP A 10 0.237 12.427 -4.047 1.00 0.00 C ATOM 142 O ASP A 10 -0.662 12.127 -4.834 1.00 0.00 O ATOM 143 CB ASP A 10 2.543 12.771 -4.897 1.00 0.00 C ATOM 144 CG ASP A 10 3.708 13.711 -5.135 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.844 14.230 -6.262 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.510 13.913 -4.199 1.00 0.00 O ATOM 0 H ASP A 10 2.530 14.296 -2.935 1.00 0.00 H new ATOM 0 HA ASP A 10 0.901 14.125 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.838 12.018 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.317 12.244 -5.824 1.00 0.00 H new ATOM 151 N LEU A 11 0.366 11.884 -2.844 1.00 0.00 N ATOM 152 CA LEU A 11 -0.521 10.839 -2.364 1.00 0.00 C ATOM 153 C LEU A 11 -1.959 11.334 -2.262 1.00 0.00 C ATOM 154 O LEU A 11 -2.891 10.626 -2.639 1.00 0.00 O ATOM 155 CB LEU A 11 -0.034 10.313 -1.010 1.00 0.00 C ATOM 156 CG LEU A 11 -0.948 9.287 -0.353 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.056 8.051 -1.221 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.430 8.932 1.030 1.00 0.00 C ATOM 0 H LEU A 11 1.088 12.156 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.504 10.023 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.952 9.867 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.087 11.157 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.943 9.718 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.712 7.325 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.467 8.324 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.067 7.613 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.092 8.198 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.573 8.514 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.399 9.829 1.648 1.00 0.00 H new ATOM 170 N GLN A 12 -2.137 12.563 -1.786 1.00 0.00 N ATOM 171 CA GLN A 12 -3.475 13.116 -1.621 1.00 0.00 C ATOM 172 C GLN A 12 -4.102 13.376 -2.981 1.00 0.00 C ATOM 173 O GLN A 12 -5.321 13.346 -3.131 1.00 0.00 O ATOM 174 CB GLN A 12 -3.450 14.407 -0.797 1.00 0.00 C ATOM 175 CG GLN A 12 -2.957 14.229 0.631 1.00 0.00 C ATOM 176 CD GLN A 12 -3.158 15.469 1.478 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.189 15.630 2.130 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.177 16.356 1.477 1.00 0.00 N ATOM 0 H GLN A 12 -1.380 13.188 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.076 12.385 -1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.813 15.134 -1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.455 14.828 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.482 13.391 1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.898 13.972 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.337 16.187 0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.260 17.209 2.030 1.00 0.00 H new ATOM 187 N ARG A 13 -3.253 13.612 -3.970 1.00 0.00 N ATOM 188 CA ARG A 13 -3.700 13.830 -5.337 1.00 0.00 C ATOM 189 C ARG A 13 -4.334 12.561 -5.900 1.00 0.00 C ATOM 190 O ARG A 13 -5.501 12.563 -6.289 1.00 0.00 O ATOM 191 CB ARG A 13 -2.523 14.265 -6.208 1.00 0.00 C ATOM 192 CG ARG A 13 -2.898 14.553 -7.652 1.00 0.00 C ATOM 193 CD ARG A 13 -1.706 15.084 -8.428 1.00 0.00 C ATOM 194 NE ARG A 13 -1.114 16.253 -7.779 1.00 0.00 N ATOM 195 CZ ARG A 13 0.114 16.704 -8.030 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.880 16.092 -8.925 1.00 0.00 N ATOM 197 NH2 ARG A 13 0.577 17.766 -7.382 1.00 0.00 N ATOM 0 H ARG A 13 -2.241 13.658 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.451 14.620 -5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.074 15.159 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.762 13.485 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.267 13.643 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.710 15.280 -7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.954 14.300 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.018 15.348 -9.438 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.676 16.754 -7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.529 15.274 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.820 16.440 -9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.008 18.237 -6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.517 18.111 -7.575 1.00 0.00 H new ATOM 211 N TYR A 14 -3.564 11.474 -5.913 1.00 0.00 N ATOM 212 CA TYR A 14 -4.040 10.197 -6.445 1.00 0.00 C ATOM 213 C TYR A 14 -5.249 9.691 -5.670 1.00 0.00 C ATOM 214 O TYR A 14 -6.164 9.095 -6.239 1.00 0.00 O ATOM 215 CB TYR A 14 -2.939 9.137 -6.381 1.00 0.00 C ATOM 216 CG TYR A 14 -1.695 9.495 -7.160 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.449 9.555 -6.545 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.769 9.770 -8.519 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.685 9.874 -7.265 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.641 10.091 -9.244 1.00 0.00 C ATOM 221 CZ TYR A 14 0.584 10.142 -8.613 1.00 0.00 C ATOM 222 OH TYR A 14 1.713 10.454 -9.334 1.00 0.00 O ATOM 0 H TYR A 14 -2.607 11.452 -5.561 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.325 10.370 -7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.667 8.973 -5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.334 8.194 -6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.367 9.349 -5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.727 9.732 -9.017 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.646 9.913 -6.774 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.717 10.301 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 14 1.470 10.614 -10.270 1.00 0.00 H new ATOM 232 N ARG A 15 -5.242 9.946 -4.373 1.00 0.00 N ATOM 233 CA ARG A 15 -6.274 9.449 -3.479 1.00 0.00 C ATOM 234 C ARG A 15 -7.648 10.020 -3.829 1.00 0.00 C ATOM 235 O ARG A 15 -8.645 9.301 -3.803 1.00 0.00 O ATOM 236 CB ARG A 15 -5.859 9.747 -2.033 1.00 0.00 C ATOM 237 CG ARG A 15 -6.941 10.320 -1.134 1.00 0.00 C ATOM 238 CD ARG A 15 -6.418 10.475 0.286 1.00 0.00 C ATOM 239 NE ARG A 15 -7.444 10.926 1.216 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.600 10.424 2.436 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.847 9.407 2.848 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.520 10.935 3.242 1.00 0.00 N ATOM 0 H ARG A 15 -4.523 10.502 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.371 8.370 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.492 8.824 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.023 10.446 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.267 11.287 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.812 9.665 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.018 9.520 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.592 11.186 0.289 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.077 11.667 0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.144 9.008 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.972 9.027 3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.103 11.709 2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.645 10.554 4.180 1.00 0.00 H new ATOM 256 N THR A 16 -7.692 11.295 -4.190 1.00 0.00 N ATOM 257 CA THR A 16 -8.937 11.922 -4.613 1.00 0.00 C ATOM 258 C THR A 16 -9.444 11.289 -5.906 1.00 0.00 C ATOM 259 O THR A 16 -10.632 10.989 -6.039 1.00 0.00 O ATOM 260 CB THR A 16 -8.751 13.431 -4.840 1.00 0.00 C ATOM 261 OG1 THR A 16 -7.957 13.995 -3.788 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.096 14.134 -4.887 1.00 0.00 C ATOM 0 H THR A 16 -6.882 11.915 -4.199 1.00 0.00 H new ATOM 0 HA THR A 16 -9.665 11.768 -3.816 1.00 0.00 H new ATOM 0 HB THR A 16 -8.243 13.571 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.028 13.699 -3.885 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.943 15.201 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.692 13.725 -5.703 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.620 13.981 -3.943 1.00 0.00 H new ATOM 270 N GLU A 17 -8.530 11.069 -6.845 1.00 0.00 N ATOM 271 CA GLU A 17 -8.878 10.485 -8.137 1.00 0.00 C ATOM 272 C GLU A 17 -9.469 9.088 -7.947 1.00 0.00 C ATOM 273 O GLU A 17 -10.433 8.716 -8.615 1.00 0.00 O ATOM 274 CB GLU A 17 -7.651 10.413 -9.061 1.00 0.00 C ATOM 275 CG GLU A 17 -6.722 11.611 -8.950 1.00 0.00 C ATOM 276 CD GLU A 17 -7.389 12.911 -9.351 1.00 0.00 C ATOM 277 OE1 GLU A 17 -7.931 13.609 -8.468 1.00 0.00 O ATOM 278 OE2 GLU A 17 -7.375 13.245 -10.556 1.00 0.00 O ATOM 0 H GLU A 17 -7.540 11.287 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.623 11.128 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.089 9.508 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.991 10.324 -10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.364 11.693 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.848 11.447 -9.580 1.00 0.00 H new ATOM 285 N CYS A 18 -8.907 8.324 -7.017 1.00 0.00 N ATOM 286 CA CYS A 18 -9.412 6.988 -6.730 1.00 0.00 C ATOM 287 C CYS A 18 -10.756 7.060 -6.020 1.00 0.00 C ATOM 288 O CYS A 18 -11.622 6.209 -6.228 1.00 0.00 O ATOM 289 CB CYS A 18 -8.415 6.190 -5.895 1.00 0.00 C ATOM 290 SG CYS A 18 -6.882 5.783 -6.788 1.00 0.00 S ATOM 0 H CYS A 18 -8.106 8.606 -6.452 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.548 6.474 -7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.165 6.760 -5.000 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.889 5.266 -5.563 1.00 0.00 H new ATOM 295 N VAL A 19 -10.940 8.094 -5.209 1.00 0.00 N ATOM 296 CA VAL A 19 -12.183 8.280 -4.485 1.00 0.00 C ATOM 297 C VAL A 19 -13.332 8.542 -5.449 1.00 0.00 C ATOM 298 O VAL A 19 -14.350 7.847 -5.424 1.00 0.00 O ATOM 299 CB VAL A 19 -12.075 9.422 -3.448 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.447 9.959 -3.075 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.350 8.930 -2.207 1.00 0.00 C ATOM 0 H VAL A 19 -10.240 8.816 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.386 7.358 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.506 10.236 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.338 10.761 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.941 10.345 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.047 9.157 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.278 9.741 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.902 8.099 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.348 8.597 -2.479 1.00 0.00 H new ATOM 311 N SER A 20 -13.146 9.522 -6.318 1.00 0.00 N ATOM 312 CA SER A 20 -14.163 9.902 -7.282 1.00 0.00 C ATOM 313 C SER A 20 -14.452 8.778 -8.286 1.00 0.00 C ATOM 314 O SER A 20 -15.580 8.636 -8.758 1.00 0.00 O ATOM 315 CB SER A 20 -13.710 11.163 -8.010 1.00 0.00 C ATOM 316 OG SER A 20 -13.539 12.234 -7.096 1.00 0.00 O ATOM 0 H SER A 20 -12.290 10.074 -6.374 1.00 0.00 H new ATOM 0 HA SER A 20 -15.092 10.094 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.773 10.971 -8.532 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.446 11.437 -8.766 1.00 0.00 H new ATOM 0 HG SER A 20 -13.247 13.034 -7.581 1.00 0.00 H new ATOM 322 N SER A 21 -13.444 7.968 -8.595 1.00 0.00 N ATOM 323 CA SER A 21 -13.595 6.912 -9.588 1.00 0.00 C ATOM 324 C SER A 21 -14.295 5.686 -9.005 1.00 0.00 C ATOM 325 O SER A 21 -15.202 5.127 -9.626 1.00 0.00 O ATOM 326 CB SER A 21 -12.225 6.519 -10.136 1.00 0.00 C ATOM 327 OG SER A 21 -11.583 7.624 -10.755 1.00 0.00 O ATOM 0 H SER A 21 -12.517 8.023 -8.173 1.00 0.00 H new ATOM 0 HA SER A 21 -14.217 7.297 -10.396 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.602 6.140 -9.326 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.338 5.710 -10.857 1.00 0.00 H new ATOM 0 HG SER A 21 -10.941 8.021 -10.130 1.00 0.00 H new ATOM 333 N LEU A 22 -13.882 5.272 -7.810 1.00 0.00 N ATOM 334 CA LEU A 22 -14.418 4.061 -7.196 1.00 0.00 C ATOM 335 C LEU A 22 -15.664 4.345 -6.356 1.00 0.00 C ATOM 336 O LEU A 22 -16.142 3.470 -5.631 1.00 0.00 O ATOM 337 CB LEU A 22 -13.345 3.401 -6.330 1.00 0.00 C ATOM 338 CG LEU A 22 -12.164 2.829 -7.106 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.053 2.430 -6.153 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.606 1.632 -7.926 1.00 0.00 C ATOM 0 H LEU A 22 -13.180 5.755 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.712 3.386 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.972 4.135 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.806 2.599 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.786 3.596 -7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.216 2.023 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.721 3.305 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.422 1.675 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.754 1.233 -8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.003 0.863 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.380 1.939 -8.630 1.00 0.00 H new ATOM 352 N ASN A 23 -16.184 5.568 -6.465 1.00 0.00 N ATOM 353 CA ASN A 23 -17.376 5.990 -5.718 1.00 0.00 C ATOM 354 C ASN A 23 -17.188 5.784 -4.210 1.00 0.00 C ATOM 355 O ASN A 23 -18.124 5.428 -3.495 1.00 0.00 O ATOM 356 CB ASN A 23 -18.608 5.221 -6.212 1.00 0.00 C ATOM 357 CG ASN A 23 -19.914 5.768 -5.659 1.00 0.00 C ATOM 358 OD1 ASN A 23 -20.047 6.968 -5.413 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.885 4.892 -5.463 1.00 0.00 N ATOM 0 H ASN A 23 -15.796 6.292 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.527 7.055 -5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.638 5.256 -7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.512 4.173 -5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -21.785 5.202 -5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.734 3.907 -5.680 1.00 0.00 H new ATOM 366 N ILE A 24 -15.968 5.998 -3.735 1.00 0.00 N ATOM 367 CA ILE A 24 -15.654 5.831 -2.325 1.00 0.00 C ATOM 368 C ILE A 24 -16.438 6.831 -1.482 1.00 0.00 C ATOM 369 O ILE A 24 -16.333 8.040 -1.692 1.00 0.00 O ATOM 370 CB ILE A 24 -14.146 6.021 -2.059 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.311 5.146 -3.008 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.820 5.696 -0.606 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.530 3.657 -2.834 1.00 0.00 C ATOM 0 H ILE A 24 -15.177 6.289 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.935 4.815 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.892 7.064 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.546 5.419 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.255 5.367 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.753 5.834 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.383 6.359 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.091 4.661 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.904 3.112 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.266 3.367 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.578 3.419 -3.019 1.00 0.00 H new ATOM 385 N PRO A 25 -17.247 6.335 -0.532 1.00 0.00 N ATOM 386 CA PRO A 25 -18.013 7.185 0.379 1.00 0.00 C ATOM 387 C PRO A 25 -17.100 8.069 1.216 1.00 0.00 C ATOM 388 O PRO A 25 -16.043 7.634 1.684 1.00 0.00 O ATOM 389 CB PRO A 25 -18.755 6.193 1.276 1.00 0.00 C ATOM 390 CG PRO A 25 -18.720 4.894 0.557 1.00 0.00 C ATOM 391 CD PRO A 25 -17.468 4.906 -0.271 1.00 0.00 C ATOM 0 HA PRO A 25 -18.679 7.862 -0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.275 6.113 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.781 6.516 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.714 4.061 1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.602 4.774 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.629 4.460 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.592 4.343 -1.196 1.00 0.00 H new ATOM 399 N ALA A 26 -17.530 9.313 1.395 1.00 0.00 N ATOM 400 CA ALA A 26 -16.766 10.314 2.128 1.00 0.00 C ATOM 401 C ALA A 26 -16.428 9.838 3.534 1.00 0.00 C ATOM 402 O ALA A 26 -15.367 10.164 4.063 1.00 0.00 O ATOM 403 CB ALA A 26 -17.549 11.610 2.191 1.00 0.00 C ATOM 0 H ALA A 26 -18.421 9.656 1.035 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.828 10.480 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.974 12.356 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.739 11.970 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.498 11.437 2.699 1.00 0.00 H new ATOM 409 N ASP A 27 -17.338 9.074 4.131 1.00 0.00 N ATOM 410 CA ASP A 27 -17.111 8.488 5.452 1.00 0.00 C ATOM 411 C ASP A 27 -15.807 7.694 5.488 1.00 0.00 C ATOM 412 O ASP A 27 -14.979 7.884 6.384 1.00 0.00 O ATOM 413 CB ASP A 27 -18.277 7.582 5.842 1.00 0.00 C ATOM 414 CG ASP A 27 -18.027 6.849 7.148 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.595 5.681 7.105 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.259 7.441 8.226 1.00 0.00 O ATOM 0 H ASP A 27 -18.243 8.845 3.721 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.037 9.306 6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.184 8.180 5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.451 6.856 5.048 1.00 0.00 H new ATOM 421 N TYR A 28 -15.628 6.810 4.507 1.00 0.00 N ATOM 422 CA TYR A 28 -14.408 6.024 4.396 1.00 0.00 C ATOM 423 C TYR A 28 -13.188 6.911 4.206 1.00 0.00 C ATOM 424 O TYR A 28 -12.130 6.648 4.773 1.00 0.00 O ATOM 425 CB TYR A 28 -14.522 5.018 3.249 1.00 0.00 C ATOM 426 CG TYR A 28 -15.315 3.792 3.632 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.681 2.624 4.041 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.703 3.809 3.607 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.408 1.513 4.417 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.436 2.701 3.977 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.784 1.556 4.382 1.00 0.00 C ATOM 432 OH TYR A 28 -17.512 0.453 4.767 1.00 0.00 O ATOM 0 H TYR A 28 -16.316 6.623 3.778 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.279 5.479 5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.995 5.500 2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.523 4.717 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.602 2.586 4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.217 4.705 3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.901 0.615 4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.515 2.730 3.950 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.469 0.648 4.685 1.00 0.00 H new ATOM 442 N VAL A 29 -13.346 7.969 3.421 1.00 0.00 N ATOM 443 CA VAL A 29 -12.263 8.906 3.162 1.00 0.00 C ATOM 444 C VAL A 29 -11.732 9.508 4.466 1.00 0.00 C ATOM 445 O VAL A 29 -10.519 9.591 4.676 1.00 0.00 O ATOM 446 CB VAL A 29 -12.724 10.025 2.215 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.585 10.981 1.920 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.270 9.431 0.929 1.00 0.00 C ATOM 0 H VAL A 29 -14.221 8.200 2.950 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.455 8.353 2.683 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.519 10.587 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.933 11.765 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.236 11.429 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.766 10.437 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.593 10.234 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.491 8.847 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.118 8.785 1.158 1.00 0.00 H new ATOM 458 N GLU A 30 -12.644 9.906 5.350 1.00 0.00 N ATOM 459 CA GLU A 30 -12.260 10.478 6.642 1.00 0.00 C ATOM 460 C GLU A 30 -11.532 9.446 7.503 1.00 0.00 C ATOM 461 O GLU A 30 -10.640 9.797 8.278 1.00 0.00 O ATOM 462 CB GLU A 30 -13.477 11.017 7.383 1.00 0.00 C ATOM 463 CG GLU A 30 -14.429 11.769 6.478 1.00 0.00 C ATOM 464 CD GLU A 30 -15.487 12.528 7.243 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.188 13.633 7.739 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.621 12.027 7.352 1.00 0.00 O ATOM 0 H GLU A 30 -13.651 9.844 5.198 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.579 11.307 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.007 10.188 7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.146 11.678 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.862 12.467 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.912 11.065 5.801 1.00 0.00 H new ATOM 473 N LYS A 31 -11.908 8.177 7.361 1.00 0.00 N ATOM 474 CA LYS A 31 -11.211 7.089 8.050 1.00 0.00 C ATOM 475 C LYS A 31 -9.760 7.017 7.592 1.00 0.00 C ATOM 476 O LYS A 31 -8.838 7.038 8.407 1.00 0.00 O ATOM 477 CB LYS A 31 -11.874 5.737 7.790 1.00 0.00 C ATOM 478 CG LYS A 31 -13.293 5.625 8.315 1.00 0.00 C ATOM 479 CD LYS A 31 -13.841 4.222 8.103 1.00 0.00 C ATOM 480 CE LYS A 31 -15.292 4.109 8.550 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.415 4.089 10.030 1.00 0.00 N ATOM 0 H LYS A 31 -12.688 7.876 6.778 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.259 7.303 9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.881 5.550 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.268 4.955 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.313 5.871 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.931 6.349 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.764 3.957 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.233 3.507 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.862 4.948 8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.730 3.200 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.418 4.011 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.893 3.274 10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.021 4.967 10.423 1.00 0.00 H new ATOM 495 N PHE A 32 -9.573 6.949 6.275 1.00 0.00 N ATOM 496 CA PHE A 32 -8.245 6.843 5.678 1.00 0.00 C ATOM 497 C PHE A 32 -7.392 8.047 6.058 1.00 0.00 C ATOM 498 O PHE A 32 -6.179 7.940 6.234 1.00 0.00 O ATOM 499 CB PHE A 32 -8.350 6.751 4.153 1.00 0.00 C ATOM 500 CG PHE A 32 -9.327 5.718 3.661 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.520 4.535 4.354 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.053 5.936 2.501 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.418 3.590 3.900 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.953 4.992 2.042 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.136 3.818 2.743 1.00 0.00 C ATOM 0 H PHE A 32 -10.334 6.966 5.596 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.773 5.937 6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.641 7.725 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.365 6.525 3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.962 4.350 5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.914 6.854 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.559 2.672 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.512 5.173 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.839 3.079 2.388 1.00 0.00 H new ATOM 515 N LYS A 33 -8.051 9.192 6.193 1.00 0.00 N ATOM 516 CA LYS A 33 -7.395 10.440 6.555 1.00 0.00 C ATOM 517 C LYS A 33 -6.758 10.335 7.941 1.00 0.00 C ATOM 518 O LYS A 33 -5.790 11.029 8.244 1.00 0.00 O ATOM 519 CB LYS A 33 -8.410 11.580 6.538 1.00 0.00 C ATOM 520 CG LYS A 33 -7.782 12.941 6.297 1.00 0.00 C ATOM 521 CD LYS A 33 -8.834 14.038 6.252 1.00 0.00 C ATOM 522 CE LYS A 33 -8.207 15.403 6.022 1.00 0.00 C ATOM 523 NZ LYS A 33 -9.229 16.483 5.953 1.00 0.00 N ATOM 0 H LYS A 33 -9.058 9.280 6.054 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.609 10.642 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.150 11.387 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.943 11.597 7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.063 13.157 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.229 12.927 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.548 13.826 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.393 14.046 7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.505 15.619 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.634 15.387 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.758 17.397 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.884 16.291 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.759 16.517 6.847 1.00 0.00 H new ATOM 537 N LYS A 34 -7.310 9.463 8.779 1.00 0.00 N ATOM 538 CA LYS A 34 -6.772 9.246 10.117 1.00 0.00 C ATOM 539 C LYS A 34 -6.067 7.895 10.209 1.00 0.00 C ATOM 540 O LYS A 34 -6.074 7.255 11.259 1.00 0.00 O ATOM 541 CB LYS A 34 -7.886 9.340 11.168 1.00 0.00 C ATOM 542 CG LYS A 34 -8.374 10.758 11.422 1.00 0.00 C ATOM 543 CD LYS A 34 -7.255 11.660 11.915 1.00 0.00 C ATOM 544 CE LYS A 34 -7.764 13.052 12.262 1.00 0.00 C ATOM 545 NZ LYS A 34 -8.466 13.699 11.118 1.00 0.00 N ATOM 0 H LYS A 34 -8.128 8.896 8.556 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.039 10.028 10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.729 8.728 10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.525 8.917 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.793 11.168 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.177 10.740 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.789 11.214 12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.484 11.735 11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.443 12.987 13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.926 13.676 12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.644 14.699 11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.873 13.635 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.371 13.216 10.948 1.00 0.00 H new ATOM 559 N TRP A 35 -5.461 7.480 9.095 1.00 0.00 N ATOM 560 CA TRP A 35 -4.718 6.223 9.015 1.00 0.00 C ATOM 561 C TRP A 35 -5.517 5.028 9.539 1.00 0.00 C ATOM 562 O TRP A 35 -4.976 4.171 10.237 1.00 0.00 O ATOM 563 CB TRP A 35 -3.397 6.338 9.777 1.00 0.00 C ATOM 564 CG TRP A 35 -2.401 7.250 9.127 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.133 8.545 9.462 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.540 6.932 8.029 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.150 9.049 8.646 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.771 8.079 7.757 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.340 5.787 7.252 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.179 8.113 6.741 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.399 5.822 6.244 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.353 6.977 5.995 1.00 0.00 C ATOM 0 H TRP A 35 -5.472 8.008 8.222 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.521 6.042 7.958 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.600 6.697 10.786 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.957 5.345 9.875 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.622 9.094 10.253 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.765 9.992 8.694 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.913 4.890 7.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.759 9.003 6.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.239 4.944 5.636 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.084 6.972 5.200 1.00 0.00 H new ATOM 583 N GLU A 36 -6.797 4.967 9.198 1.00 0.00 N ATOM 584 CA GLU A 36 -7.630 3.853 9.610 1.00 0.00 C ATOM 585 C GLU A 36 -8.307 3.225 8.401 1.00 0.00 C ATOM 586 O GLU A 36 -9.145 3.844 7.749 1.00 0.00 O ATOM 587 CB GLU A 36 -8.664 4.306 10.636 1.00 0.00 C ATOM 588 CG GLU A 36 -9.399 3.158 11.303 1.00 0.00 C ATOM 589 CD GLU A 36 -10.241 3.608 12.476 1.00 0.00 C ATOM 590 OE1 GLU A 36 -9.663 3.932 13.536 1.00 0.00 O ATOM 591 OE2 GLU A 36 -11.482 3.629 12.355 1.00 0.00 O ATOM 0 H GLU A 36 -7.276 5.673 8.640 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.996 3.100 10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.167 4.902 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.389 4.956 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.038 2.666 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.675 2.417 11.643 1.00 0.00 H new ATOM 598 N PHE A 37 -7.919 1.997 8.107 1.00 0.00 N ATOM 599 CA PHE A 37 -8.396 1.298 6.920 1.00 0.00 C ATOM 600 C PHE A 37 -9.199 0.061 7.312 1.00 0.00 C ATOM 601 O PHE A 37 -8.624 -0.948 7.723 1.00 0.00 O ATOM 602 CB PHE A 37 -7.200 0.887 6.045 1.00 0.00 C ATOM 603 CG PHE A 37 -6.266 2.026 5.734 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.293 2.405 6.648 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.359 2.720 4.536 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.438 3.455 6.377 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.504 3.769 4.261 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.543 4.137 5.182 1.00 0.00 C ATOM 0 H PHE A 37 -7.269 1.456 8.678 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.045 1.969 6.357 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.643 0.098 6.551 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.571 0.466 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.203 1.872 7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.108 2.437 3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.688 3.742 7.099 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.587 4.302 3.325 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.874 4.958 4.967 1.00 0.00 H new ATOM 618 N PRO A 38 -10.540 0.129 7.233 1.00 0.00 N ATOM 619 CA PRO A 38 -11.402 -1.031 7.482 1.00 0.00 C ATOM 620 C PRO A 38 -11.145 -2.165 6.501 1.00 0.00 C ATOM 621 O PRO A 38 -10.837 -1.938 5.328 1.00 0.00 O ATOM 622 CB PRO A 38 -12.817 -0.486 7.290 1.00 0.00 C ATOM 623 CG PRO A 38 -12.685 0.981 7.483 1.00 0.00 C ATOM 624 CD PRO A 38 -11.331 1.334 6.928 1.00 0.00 C ATOM 0 HA PRO A 38 -11.224 -1.454 8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.201 -0.722 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.510 -0.920 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.476 1.519 6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.760 1.247 8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.370 1.534 5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.916 2.223 7.403 1.00 0.00 H new ATOM 632 N GLU A 39 -11.279 -3.382 6.991 1.00 0.00 N ATOM 633 CA GLU A 39 -11.086 -4.564 6.173 1.00 0.00 C ATOM 634 C GLU A 39 -12.357 -4.837 5.375 1.00 0.00 C ATOM 635 O GLU A 39 -13.193 -5.662 5.753 1.00 0.00 O ATOM 636 CB GLU A 39 -10.710 -5.750 7.062 1.00 0.00 C ATOM 637 CG GLU A 39 -10.245 -6.980 6.301 1.00 0.00 C ATOM 638 CD GLU A 39 -9.783 -8.088 7.222 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.612 -8.061 7.652 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.595 -8.986 7.529 1.00 0.00 O ATOM 0 H GLU A 39 -11.523 -3.579 7.962 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.270 -4.406 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.920 -5.440 7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.572 -6.019 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.059 -7.347 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.430 -6.703 5.632 1.00 0.00 H new ATOM 647 N ASP A 40 -12.494 -4.116 4.273 1.00 0.00 N ATOM 648 CA ASP A 40 -13.710 -4.153 3.463 1.00 0.00 C ATOM 649 C ASP A 40 -13.393 -3.919 1.993 1.00 0.00 C ATOM 650 O ASP A 40 -12.460 -3.177 1.682 1.00 0.00 O ATOM 651 CB ASP A 40 -14.727 -3.106 3.952 1.00 0.00 C ATOM 652 CG ASP A 40 -15.895 -2.935 2.998 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.859 -2.011 2.159 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.858 -3.724 3.077 1.00 0.00 O ATOM 0 H ASP A 40 -11.772 -3.491 3.913 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.148 -5.145 3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.103 -3.401 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.223 -2.148 4.079 1.00 0.00 H new ATOM 659 N ASP A 41 -14.150 -4.564 1.110 1.00 0.00 N ATOM 660 CA ASP A 41 -13.917 -4.498 -0.343 1.00 0.00 C ATOM 661 C ASP A 41 -13.636 -3.074 -0.827 1.00 0.00 C ATOM 662 O ASP A 41 -12.667 -2.839 -1.556 1.00 0.00 O ATOM 663 CB ASP A 41 -15.121 -5.062 -1.100 1.00 0.00 C ATOM 664 CG ASP A 41 -14.988 -4.904 -2.600 1.00 0.00 C ATOM 665 OD1 ASP A 41 -15.708 -4.062 -3.178 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.169 -5.622 -3.208 1.00 0.00 O ATOM 0 H ASP A 41 -14.943 -5.149 1.374 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.031 -5.100 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.236 -6.119 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -16.027 -4.557 -0.764 1.00 0.00 H new ATOM 671 N THR A 42 -14.471 -2.136 -0.397 1.00 0.00 N ATOM 672 CA THR A 42 -14.351 -0.740 -0.796 1.00 0.00 C ATOM 673 C THR A 42 -12.949 -0.193 -0.515 1.00 0.00 C ATOM 674 O THR A 42 -12.288 0.347 -1.406 1.00 0.00 O ATOM 675 CB THR A 42 -15.395 0.104 -0.053 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.701 -0.451 -0.269 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.364 1.543 -0.523 1.00 0.00 C ATOM 0 H THR A 42 -15.249 -2.321 0.237 1.00 0.00 H new ATOM 0 HA THR A 42 -14.526 -0.682 -1.870 1.00 0.00 H new ATOM 0 HB THR A 42 -15.160 0.089 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.885 -1.129 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.114 2.119 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.377 1.965 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.579 1.582 -1.591 1.00 0.00 H new ATOM 685 N THR A 43 -12.502 -0.353 0.723 1.00 0.00 N ATOM 686 CA THR A 43 -11.173 0.076 1.131 1.00 0.00 C ATOM 687 C THR A 43 -10.087 -0.651 0.333 1.00 0.00 C ATOM 688 O THR A 43 -9.043 -0.081 0.017 1.00 0.00 O ATOM 689 CB THR A 43 -10.963 -0.195 2.630 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.058 0.356 3.377 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.652 0.408 3.117 1.00 0.00 C ATOM 0 H THR A 43 -13.049 -0.782 1.470 1.00 0.00 H new ATOM 0 HA THR A 43 -11.096 1.146 0.935 1.00 0.00 H new ATOM 0 HB THR A 43 -10.919 -1.273 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.015 1.335 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.529 0.201 4.180 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.822 -0.031 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.665 1.486 2.956 1.00 0.00 H new ATOM 699 N MET A 44 -10.356 -1.904 -0.007 1.00 0.00 N ATOM 700 CA MET A 44 -9.386 -2.749 -0.692 1.00 0.00 C ATOM 701 C MET A 44 -9.113 -2.247 -2.105 1.00 0.00 C ATOM 702 O MET A 44 -7.960 -2.052 -2.493 1.00 0.00 O ATOM 703 CB MET A 44 -9.883 -4.191 -0.733 1.00 0.00 C ATOM 704 CG MET A 44 -10.095 -4.784 0.645 1.00 0.00 C ATOM 705 SD MET A 44 -10.822 -6.429 0.601 1.00 0.00 S ATOM 706 CE MET A 44 -10.860 -6.792 2.352 1.00 0.00 C ATOM 0 H MET A 44 -11.247 -2.362 0.183 1.00 0.00 H new ATOM 0 HA MET A 44 -8.450 -2.708 -0.134 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.821 -4.231 -1.288 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.164 -4.802 -1.279 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.138 -4.830 1.165 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.741 -4.123 1.223 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.975 -7.866 2.499 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.929 -6.460 2.813 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.699 -6.271 2.813 1.00 0.00 H new ATOM 716 N CYS A 45 -10.172 -2.033 -2.877 1.00 0.00 N ATOM 717 CA CYS A 45 -10.023 -1.530 -4.237 1.00 0.00 C ATOM 718 C CYS A 45 -9.496 -0.103 -4.231 1.00 0.00 C ATOM 719 O CYS A 45 -8.813 0.314 -5.167 1.00 0.00 O ATOM 720 CB CYS A 45 -11.340 -1.615 -5.014 1.00 0.00 C ATOM 721 SG CYS A 45 -11.882 -3.325 -5.351 1.00 0.00 S ATOM 0 H CYS A 45 -11.136 -2.198 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.296 -2.165 -4.744 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.118 -1.101 -4.450 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.229 -1.085 -5.960 1.00 0.00 H new ATOM 726 N TYR A 46 -9.799 0.640 -3.169 1.00 0.00 N ATOM 727 CA TYR A 46 -9.261 1.981 -3.005 1.00 0.00 C ATOM 728 C TYR A 46 -7.743 1.928 -2.926 1.00 0.00 C ATOM 729 O TYR A 46 -7.049 2.624 -3.664 1.00 0.00 O ATOM 730 CB TYR A 46 -9.844 2.638 -1.751 1.00 0.00 C ATOM 731 CG TYR A 46 -9.084 3.868 -1.296 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.337 3.851 -0.122 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.112 5.045 -2.037 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.642 4.970 0.299 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.417 6.165 -1.622 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.688 6.123 -0.455 1.00 0.00 C ATOM 737 OH TYR A 46 -7.009 7.243 -0.040 1.00 0.00 O ATOM 0 H TYR A 46 -10.412 0.334 -2.414 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.543 2.583 -3.869 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.881 2.914 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.854 1.908 -0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.299 2.949 0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.686 5.084 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.067 4.941 1.213 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.446 7.070 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.234 6.976 0.497 1.00 0.00 H new ATOM 747 N ILE A 47 -7.241 1.077 -2.038 1.00 0.00 N ATOM 748 CA ILE A 47 -5.808 0.891 -1.870 1.00 0.00 C ATOM 749 C ILE A 47 -5.172 0.420 -3.173 1.00 0.00 C ATOM 750 O ILE A 47 -4.082 0.858 -3.530 1.00 0.00 O ATOM 751 CB ILE A 47 -5.494 -0.118 -0.742 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.931 0.447 0.623 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.010 -0.480 -0.732 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.249 1.749 1.003 1.00 0.00 C ATOM 0 H ILE A 47 -7.813 0.501 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.386 1.857 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.059 -1.031 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.009 0.605 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.727 -0.296 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.814 -1.191 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.738 -0.928 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.417 0.420 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.612 2.079 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.171 1.595 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.474 2.509 0.255 1.00 0.00 H new ATOM 766 N LYS A 48 -5.872 -0.455 -3.888 1.00 0.00 N ATOM 767 CA LYS A 48 -5.380 -0.975 -5.152 1.00 0.00 C ATOM 768 C LYS A 48 -5.172 0.160 -6.148 1.00 0.00 C ATOM 769 O LYS A 48 -4.095 0.303 -6.721 1.00 0.00 O ATOM 770 CB LYS A 48 -6.361 -1.989 -5.735 1.00 0.00 C ATOM 771 CG LYS A 48 -5.802 -2.737 -6.936 1.00 0.00 C ATOM 772 CD LYS A 48 -6.873 -3.524 -7.673 1.00 0.00 C ATOM 773 CE LYS A 48 -7.963 -2.623 -8.227 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.945 -3.384 -9.040 1.00 0.00 N ATOM 0 H LYS A 48 -6.784 -0.818 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.427 -1.470 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.634 -2.707 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.275 -1.474 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.340 -2.026 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.017 -3.417 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.415 -4.082 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.316 -4.255 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.478 -2.127 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.513 -1.841 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.470 -2.728 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.444 -4.081 -9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.610 -3.877 -8.410 1.00 0.00 H new ATOM 788 N CYS A 49 -6.216 0.962 -6.343 1.00 0.00 N ATOM 789 CA CYS A 49 -6.161 2.092 -7.263 1.00 0.00 C ATOM 790 C CYS A 49 -5.031 3.055 -6.902 1.00 0.00 C ATOM 791 O CYS A 49 -4.257 3.467 -7.767 1.00 0.00 O ATOM 792 CB CYS A 49 -7.502 2.830 -7.275 1.00 0.00 C ATOM 793 SG CYS A 49 -7.477 4.419 -8.175 1.00 0.00 S ATOM 0 H CYS A 49 -7.114 0.848 -5.873 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.959 1.700 -8.260 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.255 2.183 -7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.812 3.013 -6.246 1.00 0.00 H new ATOM 798 N VAL A 50 -4.932 3.399 -5.620 1.00 0.00 N ATOM 799 CA VAL A 50 -3.927 4.334 -5.146 1.00 0.00 C ATOM 800 C VAL A 50 -2.526 3.791 -5.393 1.00 0.00 C ATOM 801 O VAL A 50 -1.667 4.476 -5.948 1.00 0.00 O ATOM 802 CB VAL A 50 -4.120 4.630 -3.647 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.992 5.485 -3.107 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.451 5.315 -3.420 1.00 0.00 C ATOM 0 H VAL A 50 -5.544 3.038 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.045 5.263 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.109 3.682 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.156 5.677 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.044 4.963 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.962 6.432 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.578 5.520 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.477 6.252 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.257 4.667 -3.763 1.00 0.00 H new ATOM 814 N PHE A 51 -2.323 2.537 -5.017 1.00 0.00 N ATOM 815 CA PHE A 51 -1.036 1.878 -5.166 1.00 0.00 C ATOM 816 C PHE A 51 -0.678 1.710 -6.639 1.00 0.00 C ATOM 817 O PHE A 51 0.491 1.613 -7.004 1.00 0.00 O ATOM 818 CB PHE A 51 -1.064 0.518 -4.464 1.00 0.00 C ATOM 819 CG PHE A 51 -0.711 0.576 -3.004 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.099 -0.502 -2.386 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.997 1.703 -2.247 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.221 -0.458 -1.044 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.678 1.752 -0.904 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.068 0.670 -0.302 1.00 0.00 C ATOM 0 H PHE A 51 -3.045 1.949 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.271 2.501 -4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.059 0.087 -4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.370 -0.154 -4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.130 -1.387 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.475 2.552 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.697 -1.306 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.905 2.635 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.183 0.706 0.748 1.00 0.00 H new ATOM 834 N ASN A 52 -1.697 1.685 -7.481 1.00 0.00 N ATOM 835 CA ASN A 52 -1.505 1.525 -8.914 1.00 0.00 C ATOM 836 C ASN A 52 -1.109 2.854 -9.551 1.00 0.00 C ATOM 837 O ASN A 52 -0.234 2.907 -10.415 1.00 0.00 O ATOM 838 CB ASN A 52 -2.785 0.991 -9.567 1.00 0.00 C ATOM 839 CG ASN A 52 -2.611 0.700 -11.048 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.434 0.229 -11.431 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.540 0.868 -11.839 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.672 1.774 -7.195 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.701 0.806 -9.075 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.096 0.080 -9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.586 1.719 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.433 1.233 -11.507 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.417 0.642 -12.826 1.00 0.00 H new ATOM 848 N LYS A 53 -1.738 3.929 -9.097 1.00 0.00 N ATOM 849 CA LYS A 53 -1.477 5.255 -9.643 1.00 0.00 C ATOM 850 C LYS A 53 -0.137 5.786 -9.152 1.00 0.00 C ATOM 851 O LYS A 53 0.495 6.609 -9.809 1.00 0.00 O ATOM 852 CB LYS A 53 -2.596 6.226 -9.262 1.00 0.00 C ATOM 853 CG LYS A 53 -3.896 6.027 -10.037 1.00 0.00 C ATOM 854 CD LYS A 53 -4.922 7.100 -9.699 1.00 0.00 C ATOM 855 CE LYS A 53 -6.292 6.773 -10.281 1.00 0.00 C ATOM 856 NZ LYS A 53 -6.245 6.560 -11.751 1.00 0.00 N ATOM 0 H LYS A 53 -2.434 3.910 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.442 5.170 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.803 6.122 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.245 7.246 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.689 6.046 -11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.309 5.044 -9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.001 7.200 -8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.583 8.062 -10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.685 5.878 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.983 7.585 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.214 6.492 -12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.756 7.359 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.732 5.679 -11.958 1.00 0.00 H new ATOM 870 N MET A 54 0.290 5.307 -7.994 1.00 0.00 N ATOM 871 CA MET A 54 1.578 5.687 -7.432 1.00 0.00 C ATOM 872 C MET A 54 2.700 4.851 -8.036 1.00 0.00 C ATOM 873 O MET A 54 3.872 5.034 -7.713 1.00 0.00 O ATOM 874 CB MET A 54 1.552 5.520 -5.913 1.00 0.00 C ATOM 875 CG MET A 54 0.725 6.581 -5.211 1.00 0.00 C ATOM 876 SD MET A 54 0.266 6.114 -3.532 1.00 0.00 S ATOM 877 CE MET A 54 1.822 6.271 -2.669 1.00 0.00 C ATOM 0 H MET A 54 -0.240 4.650 -7.421 1.00 0.00 H new ATOM 0 HA MET A 54 1.767 6.733 -7.673 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.152 4.536 -5.669 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.573 5.553 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.288 7.514 -5.182 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.179 6.772 -5.790 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.653 6.187 -1.596 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.499 5.480 -2.993 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.265 7.242 -2.891 1.00 0.00 H new ATOM 887 N GLN A 55 2.307 3.947 -8.940 1.00 0.00 N ATOM 888 CA GLN A 55 3.219 3.014 -9.592 1.00 0.00 C ATOM 889 C GLN A 55 3.968 2.169 -8.568 1.00 0.00 C ATOM 890 O GLN A 55 5.193 2.051 -8.606 1.00 0.00 O ATOM 891 CB GLN A 55 4.184 3.756 -10.513 1.00 0.00 C ATOM 892 CG GLN A 55 3.504 4.321 -11.747 1.00 0.00 C ATOM 893 CD GLN A 55 4.485 4.887 -12.747 1.00 0.00 C ATOM 894 OE1 GLN A 55 4.835 6.067 -12.698 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.930 4.050 -13.667 1.00 0.00 N ATOM 0 H GLN A 55 1.337 3.845 -9.239 1.00 0.00 H new ATOM 0 HA GLN A 55 2.627 2.335 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.655 4.568 -9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.979 3.077 -10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.917 3.536 -12.224 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.806 5.103 -11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.613 3.080 -13.670 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.590 4.373 -14.374 1.00 0.00 H new ATOM 904 N LEU A 56 3.210 1.576 -7.662 1.00 0.00 N ATOM 905 CA LEU A 56 3.769 0.790 -6.576 1.00 0.00 C ATOM 906 C LEU A 56 3.216 -0.632 -6.588 1.00 0.00 C ATOM 907 O LEU A 56 3.786 -1.544 -5.984 1.00 0.00 O ATOM 908 CB LEU A 56 3.466 1.483 -5.242 1.00 0.00 C ATOM 909 CG LEU A 56 4.618 2.311 -4.680 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.187 3.044 -3.420 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.817 1.429 -4.389 1.00 0.00 C ATOM 0 H LEU A 56 2.191 1.626 -7.658 1.00 0.00 H new ATOM 0 HA LEU A 56 4.849 0.720 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.600 2.132 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.189 0.726 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 56 4.903 3.049 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.023 3.628 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.356 3.709 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.873 2.321 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.628 2.038 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.540 0.668 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.146 0.946 -5.309 1.00 0.00 H new ATOM 923 N PHE A 57 2.107 -0.817 -7.295 1.00 0.00 N ATOM 924 CA PHE A 57 1.481 -2.124 -7.416 1.00 0.00 C ATOM 925 C PHE A 57 0.991 -2.333 -8.845 1.00 0.00 C ATOM 926 O PHE A 57 0.409 -1.429 -9.452 1.00 0.00 O ATOM 927 CB PHE A 57 0.318 -2.266 -6.415 1.00 0.00 C ATOM 928 CG PHE A 57 -0.470 -3.541 -6.560 1.00 0.00 C ATOM 929 CD1 PHE A 57 -0.040 -4.711 -5.957 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.646 -3.565 -7.297 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.765 -5.881 -6.084 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.374 -4.733 -7.428 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.933 -5.890 -6.821 1.00 0.00 C ATOM 0 H PHE A 57 1.622 -0.072 -7.795 1.00 0.00 H new ATOM 0 HA PHE A 57 2.220 -2.890 -7.182 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.717 -2.212 -5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.357 -1.419 -6.537 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.873 -4.709 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.996 -2.661 -7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.419 -6.786 -5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.287 -4.739 -8.005 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.501 -6.803 -6.922 1.00 0.00 H new ATOM 943 N ASP A 58 1.259 -3.512 -9.378 1.00 0.00 N ATOM 944 CA ASP A 58 0.824 -3.872 -10.718 1.00 0.00 C ATOM 945 C ASP A 58 -0.119 -5.068 -10.642 1.00 0.00 C ATOM 946 O ASP A 58 0.054 -5.950 -9.804 1.00 0.00 O ATOM 947 CB ASP A 58 2.038 -4.193 -11.604 1.00 0.00 C ATOM 948 CG ASP A 58 1.638 -4.695 -12.975 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.335 -3.861 -13.857 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.618 -5.921 -13.177 1.00 0.00 O ATOM 0 H ASP A 58 1.782 -4.244 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 58 0.293 -3.031 -11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.651 -3.298 -11.713 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.655 -4.944 -11.111 1.00 0.00 H new ATOM 955 N ASP A 59 -1.121 -5.081 -11.516 1.00 0.00 N ATOM 956 CA ASP A 59 -2.170 -6.104 -11.489 1.00 0.00 C ATOM 957 C ASP A 59 -1.625 -7.476 -11.864 1.00 0.00 C ATOM 958 O ASP A 59 -2.231 -8.499 -11.549 1.00 0.00 O ATOM 959 CB ASP A 59 -3.307 -5.734 -12.450 1.00 0.00 C ATOM 960 CG ASP A 59 -2.888 -5.799 -13.908 1.00 0.00 C ATOM 961 OD1 ASP A 59 -3.043 -6.869 -14.532 1.00 0.00 O ATOM 962 OD2 ASP A 59 -2.403 -4.778 -14.440 1.00 0.00 O ATOM 0 H ASP A 59 -1.232 -4.390 -12.258 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.551 -6.148 -10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.148 -6.408 -12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.657 -4.727 -12.222 1.00 0.00 H new ATOM 967 N THR A 60 -0.492 -7.492 -12.544 1.00 0.00 N ATOM 968 CA THR A 60 0.113 -8.728 -12.992 1.00 0.00 C ATOM 969 C THR A 60 1.238 -9.174 -12.055 1.00 0.00 C ATOM 970 O THR A 60 1.140 -10.218 -11.411 1.00 0.00 O ATOM 971 CB THR A 60 0.653 -8.564 -14.423 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.440 -8.376 -15.334 1.00 0.00 O ATOM 973 CG2 THR A 60 1.484 -9.762 -14.846 1.00 0.00 C ATOM 0 H THR A 60 0.029 -6.653 -12.798 1.00 0.00 H new ATOM 0 HA THR A 60 -0.657 -9.499 -12.982 1.00 0.00 H new ATOM 0 HB THR A 60 1.301 -7.688 -14.442 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.158 -7.882 -14.886 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.849 -9.611 -15.862 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.331 -9.875 -14.169 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.870 -10.662 -14.811 1.00 0.00 H new ATOM 981 N GLU A 61 2.299 -8.376 -11.974 1.00 0.00 N ATOM 982 CA GLU A 61 3.470 -8.738 -11.184 1.00 0.00 C ATOM 983 C GLU A 61 3.227 -8.561 -9.687 1.00 0.00 C ATOM 984 O GLU A 61 3.970 -9.098 -8.866 1.00 0.00 O ATOM 985 CB GLU A 61 4.674 -7.902 -11.602 1.00 0.00 C ATOM 986 CG GLU A 61 4.826 -7.760 -13.103 1.00 0.00 C ATOM 987 CD GLU A 61 6.115 -7.066 -13.489 1.00 0.00 C ATOM 988 OE1 GLU A 61 7.177 -7.728 -13.481 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.080 -5.861 -13.811 1.00 0.00 O ATOM 0 H GLU A 61 2.371 -7.475 -12.446 1.00 0.00 H new ATOM 0 HA GLU A 61 3.669 -9.793 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.588 -6.910 -11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.578 -8.355 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.796 -8.747 -13.564 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.981 -7.198 -13.500 1.00 0.00 H new ATOM 996 N GLY A 62 2.189 -7.821 -9.333 1.00 0.00 N ATOM 997 CA GLY A 62 1.918 -7.568 -7.935 1.00 0.00 C ATOM 998 C GLY A 62 2.691 -6.376 -7.405 1.00 0.00 C ATOM 999 O GLY A 62 2.953 -5.426 -8.141 1.00 0.00 O ATOM 0 H GLY A 62 1.532 -7.393 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.850 -7.395 -7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.174 -8.453 -7.352 1.00 0.00 H new ATOM 1003 N PRO A 63 3.057 -6.399 -6.116 1.00 0.00 N ATOM 1004 CA PRO A 63 3.858 -5.342 -5.494 1.00 0.00 C ATOM 1005 C PRO A 63 5.237 -5.227 -6.137 1.00 0.00 C ATOM 1006 O PRO A 63 6.004 -6.189 -6.149 1.00 0.00 O ATOM 1007 CB PRO A 63 3.995 -5.787 -4.029 1.00 0.00 C ATOM 1008 CG PRO A 63 2.966 -6.847 -3.826 1.00 0.00 C ATOM 1009 CD PRO A 63 2.718 -7.469 -5.172 1.00 0.00 C ATOM 0 HA PRO A 63 3.391 -4.363 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.996 -6.171 -3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.833 -4.950 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.315 -7.594 -3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.048 -6.423 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.339 -8.351 -5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.681 -7.786 -5.282 1.00 0.00 H new ATOM 1017 N LEU A 64 5.550 -4.053 -6.672 1.00 0.00 N ATOM 1018 CA LEU A 64 6.857 -3.835 -7.288 1.00 0.00 C ATOM 1019 C LEU A 64 7.875 -3.532 -6.206 1.00 0.00 C ATOM 1020 O LEU A 64 8.009 -2.393 -5.763 1.00 0.00 O ATOM 1021 CB LEU A 64 6.852 -2.698 -8.326 1.00 0.00 C ATOM 1022 CG LEU A 64 5.886 -2.852 -9.508 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.959 -4.252 -10.086 1.00 0.00 C ATOM 1024 CD2 LEU A 64 4.467 -2.497 -9.116 1.00 0.00 C ATOM 0 H LEU A 64 4.927 -3.246 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 64 7.119 -4.749 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.615 -1.767 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.862 -2.594 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 64 6.196 -2.149 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.265 -4.337 -10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.973 -4.450 -10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.691 -4.977 -9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.810 -2.618 -9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.136 -3.155 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.432 -1.462 -8.775 1.00 0.00 H new ATOM 1036 N VAL A 65 8.579 -4.580 -5.793 1.00 0.00 N ATOM 1037 CA VAL A 65 9.528 -4.525 -4.691 1.00 0.00 C ATOM 1038 C VAL A 65 10.530 -3.384 -4.839 1.00 0.00 C ATOM 1039 O VAL A 65 10.804 -2.671 -3.878 1.00 0.00 O ATOM 1040 CB VAL A 65 10.290 -5.855 -4.566 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.350 -5.776 -3.479 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.320 -6.989 -4.287 1.00 0.00 C ATOM 0 H VAL A 65 8.504 -5.503 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 65 8.944 -4.344 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 65 10.796 -6.051 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.874 -6.730 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.062 -4.987 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.875 -5.555 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.871 -7.926 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.789 -6.793 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.603 -7.064 -5.104 1.00 0.00 H new ATOM 1052 N ASP A 66 11.067 -3.209 -6.038 1.00 0.00 N ATOM 1053 CA ASP A 66 12.065 -2.174 -6.283 1.00 0.00 C ATOM 1054 C ASP A 66 11.506 -0.781 -5.999 1.00 0.00 C ATOM 1055 O ASP A 66 12.119 0.010 -5.280 1.00 0.00 O ATOM 1056 CB ASP A 66 12.571 -2.253 -7.718 1.00 0.00 C ATOM 1057 CG ASP A 66 13.608 -1.192 -8.025 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.321 -0.289 -8.843 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.714 -1.249 -7.448 1.00 0.00 O ATOM 0 H ASP A 66 10.830 -3.769 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 66 12.898 -2.348 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.001 -3.239 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.730 -2.144 -8.403 1.00 0.00 H new ATOM 1064 N ASN A 67 10.334 -0.493 -6.554 1.00 0.00 N ATOM 1065 CA ASN A 67 9.660 0.783 -6.329 1.00 0.00 C ATOM 1066 C ASN A 67 9.298 0.933 -4.858 1.00 0.00 C ATOM 1067 O ASN A 67 9.337 2.030 -4.301 1.00 0.00 O ATOM 1068 CB ASN A 67 8.394 0.874 -7.184 1.00 0.00 C ATOM 1069 CG ASN A 67 8.675 0.917 -8.677 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.728 0.476 -9.141 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.724 1.426 -9.443 1.00 0.00 N ATOM 0 H ASN A 67 9.827 -1.131 -7.168 1.00 0.00 H new ATOM 0 HA ASN A 67 10.338 1.587 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.756 0.018 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.837 1.767 -6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.849 1.463 -10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.866 1.781 -9.022 1.00 0.00 H new ATOM 1078 N LEU A 68 8.962 -0.194 -4.243 1.00 0.00 N ATOM 1079 CA LEU A 68 8.573 -0.238 -2.841 1.00 0.00 C ATOM 1080 C LEU A 68 9.730 0.149 -1.929 1.00 0.00 C ATOM 1081 O LEU A 68 9.557 0.923 -0.996 1.00 0.00 O ATOM 1082 CB LEU A 68 8.043 -1.628 -2.496 1.00 0.00 C ATOM 1083 CG LEU A 68 6.586 -1.851 -2.892 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.264 -3.330 -2.958 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.665 -1.158 -1.906 1.00 0.00 C ATOM 0 H LEU A 68 8.952 -1.104 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 68 7.780 0.492 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.662 -2.375 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.146 -1.789 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 68 6.432 -1.424 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.220 -3.463 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.905 -3.809 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.435 -3.783 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.628 -1.324 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.830 -1.563 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.874 -0.088 -1.903 1.00 0.00 H new ATOM 1097 N VAL A 69 10.906 -0.384 -2.213 1.00 0.00 N ATOM 1098 CA VAL A 69 12.108 -0.035 -1.470 1.00 0.00 C ATOM 1099 C VAL A 69 12.502 1.408 -1.751 1.00 0.00 C ATOM 1100 O VAL A 69 12.847 2.156 -0.841 1.00 0.00 O ATOM 1101 CB VAL A 69 13.272 -0.963 -1.844 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.528 -0.571 -1.094 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.909 -2.407 -1.560 1.00 0.00 C ATOM 0 H VAL A 69 11.056 -1.065 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 69 11.891 -0.152 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 69 13.466 -0.860 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.342 -1.240 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.798 0.454 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.349 -0.644 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.745 -3.052 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.688 -2.525 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.032 -2.684 -2.146 1.00 0.00 H new ATOM 1113 N HIS A 70 12.417 1.795 -3.015 1.00 0.00 N ATOM 1114 CA HIS A 70 12.770 3.141 -3.443 1.00 0.00 C ATOM 1115 C HIS A 70 11.875 4.173 -2.747 1.00 0.00 C ATOM 1116 O HIS A 70 12.261 5.326 -2.554 1.00 0.00 O ATOM 1117 CB HIS A 70 12.615 3.226 -4.964 1.00 0.00 C ATOM 1118 CG HIS A 70 13.294 4.396 -5.613 1.00 0.00 C ATOM 1119 ND1 HIS A 70 13.782 5.554 -5.103 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 13.544 4.446 -6.965 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 14.310 6.269 -6.150 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 14.153 5.576 -7.261 1.00 0.00 N flip ATOM 0 H HIS A 70 12.102 1.187 -3.771 1.00 0.00 H new ATOM 0 HA HIS A 70 13.802 3.359 -3.170 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.007 2.309 -5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.552 3.265 -5.203 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.761 5.841 -4.124 1.00 0.00 H new ATOM 0 HD2 HIS A 70 13.281 3.676 -7.675 1.00 0.00 H new ATOM 0 HE1 HIS A 70 14.777 7.240 -6.076 1.00 0.00 H new ATOM 1131 N GLN A 71 10.683 3.741 -2.376 1.00 0.00 N ATOM 1132 CA GLN A 71 9.713 4.608 -1.726 1.00 0.00 C ATOM 1133 C GLN A 71 9.857 4.549 -0.206 1.00 0.00 C ATOM 1134 O GLN A 71 10.133 5.556 0.447 1.00 0.00 O ATOM 1135 CB GLN A 71 8.301 4.173 -2.113 1.00 0.00 C ATOM 1136 CG GLN A 71 7.294 5.308 -2.176 1.00 0.00 C ATOM 1137 CD GLN A 71 7.550 6.251 -3.340 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.252 7.439 -3.266 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.098 5.725 -4.427 1.00 0.00 N ATOM 0 H GLN A 71 10.360 2.784 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 71 9.895 5.632 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.338 3.681 -3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.952 3.432 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.290 4.894 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.327 5.871 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.332 4.732 -4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.286 6.313 -5.239 1.00 0.00 H new ATOM 1148 N LEU A 72 9.668 3.355 0.340 1.00 0.00 N ATOM 1149 CA LEU A 72 9.596 3.151 1.784 1.00 0.00 C ATOM 1150 C LEU A 72 10.917 3.418 2.492 1.00 0.00 C ATOM 1151 O LEU A 72 10.930 4.015 3.563 1.00 0.00 O ATOM 1152 CB LEU A 72 9.122 1.733 2.103 1.00 0.00 C ATOM 1153 CG LEU A 72 7.667 1.441 1.731 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.356 -0.034 1.919 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.714 2.287 2.565 1.00 0.00 C ATOM 0 H LEU A 72 9.560 2.499 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 72 8.875 3.878 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.765 1.025 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.252 1.554 3.170 1.00 0.00 H new ATOM 0 HG LEU A 72 7.529 1.699 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.317 -0.224 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.011 -0.628 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.517 -0.310 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.686 2.062 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.858 2.062 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.916 3.343 2.388 1.00 0.00 H new ATOM 1167 N ALA A 73 12.023 2.979 1.898 1.00 0.00 N ATOM 1168 CA ALA A 73 13.346 3.113 2.511 1.00 0.00 C ATOM 1169 C ALA A 73 13.841 4.564 2.559 1.00 0.00 C ATOM 1170 O ALA A 73 15.039 4.828 2.435 1.00 0.00 O ATOM 1171 CB ALA A 73 14.339 2.236 1.778 1.00 0.00 C ATOM 0 H ALA A 73 12.031 2.523 0.985 1.00 0.00 H new ATOM 0 HA ALA A 73 13.257 2.786 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.323 2.338 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.018 1.196 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.392 2.542 0.733 1.00 0.00 H new ATOM 1177 N HIS A 74 12.916 5.495 2.738 1.00 0.00 N ATOM 1178 CA HIS A 74 13.240 6.908 2.852 1.00 0.00 C ATOM 1179 C HIS A 74 13.831 7.191 4.231 1.00 0.00 C ATOM 1180 O HIS A 74 13.121 7.580 5.159 1.00 0.00 O ATOM 1181 CB HIS A 74 11.981 7.763 2.611 1.00 0.00 C ATOM 1182 CG HIS A 74 12.232 9.243 2.586 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.659 10.121 3.484 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.984 10.002 1.753 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.048 11.350 3.204 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.852 11.304 2.159 1.00 0.00 N ATOM 0 H HIS A 74 11.919 5.291 2.808 1.00 0.00 H new ATOM 0 HA HIS A 74 13.979 7.170 2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.532 7.467 1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.253 7.543 3.392 1.00 0.00 H new ATOM 0 HD1 HIS A 74 11.032 9.860 4.245 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.577 9.647 0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.758 12.242 3.739 1.00 0.00 H new ATOM 1195 N GLY A 75 15.131 6.968 4.362 1.00 0.00 N ATOM 1196 CA GLY A 75 15.803 7.196 5.626 1.00 0.00 C ATOM 1197 C GLY A 75 16.030 5.917 6.408 1.00 0.00 C ATOM 1198 O GLY A 75 16.065 5.938 7.638 1.00 0.00 O ATOM 0 H GLY A 75 15.735 6.632 3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.763 7.679 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.211 7.885 6.228 1.00 0.00 H new ATOM 1202 N ARG A 76 16.180 4.803 5.697 1.00 0.00 N ATOM 1203 CA ARG A 76 16.448 3.510 6.325 1.00 0.00 C ATOM 1204 C ARG A 76 17.217 2.599 5.374 1.00 0.00 C ATOM 1205 O ARG A 76 17.336 2.898 4.185 1.00 0.00 O ATOM 1206 CB ARG A 76 15.148 2.828 6.760 1.00 0.00 C ATOM 1207 CG ARG A 76 14.784 3.075 8.215 1.00 0.00 C ATOM 1208 CD ARG A 76 13.713 2.108 8.693 1.00 0.00 C ATOM 1209 NE ARG A 76 14.144 0.716 8.571 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.318 -0.311 8.370 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.007 -0.129 8.351 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.801 -1.534 8.220 1.00 0.00 N ATOM 0 H ARG A 76 16.120 4.769 4.679 1.00 0.00 H new ATOM 0 HA ARG A 76 17.056 3.693 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.334 3.180 6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.239 1.754 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.673 2.971 8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.430 4.099 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.468 2.323 9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.802 2.259 8.113 1.00 0.00 H new ATOM 0 HE ARG A 76 15.142 0.518 8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.620 0.804 8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.384 -0.922 8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.808 -1.693 8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.166 -2.318 8.066 1.00 0.00 H new ATOM 1226 N ASP A 77 17.735 1.493 5.907 1.00 0.00 N ATOM 1227 CA ASP A 77 18.481 0.519 5.110 1.00 0.00 C ATOM 1228 C ASP A 77 17.581 -0.118 4.064 1.00 0.00 C ATOM 1229 O ASP A 77 16.731 -0.953 4.382 1.00 0.00 O ATOM 1230 CB ASP A 77 19.081 -0.579 5.994 1.00 0.00 C ATOM 1231 CG ASP A 77 20.033 -0.049 7.043 1.00 0.00 C ATOM 1232 OD1 ASP A 77 19.638 0.016 8.225 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.184 0.296 6.699 1.00 0.00 O ATOM 0 H ASP A 77 17.651 1.248 6.894 1.00 0.00 H new ATOM 0 HA ASP A 77 19.291 1.055 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.274 -1.121 6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.608 -1.296 5.364 1.00 0.00 H new ATOM 1238 N ALA A 78 17.787 0.287 2.822 1.00 0.00 N ATOM 1239 CA ALA A 78 17.002 -0.188 1.689 1.00 0.00 C ATOM 1240 C ALA A 78 17.030 -1.707 1.569 1.00 0.00 C ATOM 1241 O ALA A 78 16.028 -2.329 1.213 1.00 0.00 O ATOM 1242 CB ALA A 78 17.524 0.446 0.416 1.00 0.00 C ATOM 0 H ALA A 78 18.509 0.960 2.567 1.00 0.00 H new ATOM 0 HA ALA A 78 15.964 0.103 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.939 0.093 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.440 1.530 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.570 0.172 0.275 1.00 0.00 H new ATOM 1248 N GLU A 79 18.175 -2.301 1.876 1.00 0.00 N ATOM 1249 CA GLU A 79 18.333 -3.750 1.782 1.00 0.00 C ATOM 1250 C GLU A 79 17.412 -4.458 2.772 1.00 0.00 C ATOM 1251 O GLU A 79 16.802 -5.481 2.452 1.00 0.00 O ATOM 1252 CB GLU A 79 19.786 -4.150 2.029 1.00 0.00 C ATOM 1253 CG GLU A 79 20.739 -3.653 0.954 1.00 0.00 C ATOM 1254 CD GLU A 79 22.140 -4.200 1.111 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.553 -5.029 0.276 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.840 -3.799 2.065 1.00 0.00 O ATOM 0 H GLU A 79 19.008 -1.805 2.192 1.00 0.00 H new ATOM 0 HA GLU A 79 18.056 -4.057 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.104 -3.759 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.851 -5.236 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.352 -3.934 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.774 -2.564 0.982 1.00 0.00 H new ATOM 1263 N GLU A 80 17.300 -3.893 3.964 1.00 0.00 N ATOM 1264 CA GLU A 80 16.418 -4.428 4.988 1.00 0.00 C ATOM 1265 C GLU A 80 14.960 -4.216 4.588 1.00 0.00 C ATOM 1266 O GLU A 80 14.128 -5.112 4.728 1.00 0.00 O ATOM 1267 CB GLU A 80 16.708 -3.749 6.321 1.00 0.00 C ATOM 1268 CG GLU A 80 15.805 -4.202 7.449 1.00 0.00 C ATOM 1269 CD GLU A 80 16.227 -3.644 8.789 1.00 0.00 C ATOM 1270 OE1 GLU A 80 16.273 -2.404 8.937 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.505 -4.443 9.708 1.00 0.00 O ATOM 0 H GLU A 80 17.813 -3.058 4.247 1.00 0.00 H new ATOM 0 HA GLU A 80 16.595 -5.499 5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.744 -3.942 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.607 -2.671 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.781 -3.893 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.806 -5.291 7.496 1.00 0.00 H new ATOM 1278 N VAL A 81 14.671 -3.023 4.078 1.00 0.00 N ATOM 1279 CA VAL A 81 13.336 -2.678 3.603 1.00 0.00 C ATOM 1280 C VAL A 81 12.863 -3.651 2.522 1.00 0.00 C ATOM 1281 O VAL A 81 11.717 -4.099 2.542 1.00 0.00 O ATOM 1282 CB VAL A 81 13.307 -1.236 3.064 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.956 -0.890 2.459 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.652 -0.272 4.179 1.00 0.00 C ATOM 0 H VAL A 81 15.353 -2.271 3.983 1.00 0.00 H new ATOM 0 HA VAL A 81 12.655 -2.752 4.451 1.00 0.00 H new ATOM 0 HB VAL A 81 14.048 -1.153 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.975 0.135 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.742 -1.569 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.181 -0.988 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.631 0.749 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.925 -0.373 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.648 -0.497 4.559 1.00 0.00 H new ATOM 1294 N ARG A 82 13.756 -3.977 1.587 1.00 0.00 N ATOM 1295 CA ARG A 82 13.471 -4.965 0.552 1.00 0.00 C ATOM 1296 C ARG A 82 13.013 -6.277 1.173 1.00 0.00 C ATOM 1297 O ARG A 82 12.045 -6.889 0.721 1.00 0.00 O ATOM 1298 CB ARG A 82 14.717 -5.209 -0.296 1.00 0.00 C ATOM 1299 CG ARG A 82 14.442 -6.027 -1.542 1.00 0.00 C ATOM 1300 CD ARG A 82 15.731 -6.403 -2.246 1.00 0.00 C ATOM 1301 NE ARG A 82 15.499 -7.149 -3.482 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.443 -7.840 -4.124 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.688 -7.870 -3.656 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.143 -8.494 -5.240 1.00 0.00 N ATOM 0 H ARG A 82 14.688 -3.567 1.527 1.00 0.00 H new ATOM 0 HA ARG A 82 12.672 -4.577 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.144 -4.249 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.465 -5.721 0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.894 -6.930 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.806 -5.458 -2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.294 -5.498 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.346 -7.002 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 82 14.559 -7.141 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.924 -7.363 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.406 -8.400 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.191 -8.468 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.864 -9.022 -5.731 1.00 0.00 H new ATOM 1318 N THR A 83 13.705 -6.685 2.226 1.00 0.00 N ATOM 1319 CA THR A 83 13.404 -7.923 2.923 1.00 0.00 C ATOM 1320 C THR A 83 12.001 -7.890 3.533 1.00 0.00 C ATOM 1321 O THR A 83 11.179 -8.771 3.269 1.00 0.00 O ATOM 1322 CB THR A 83 14.460 -8.174 4.019 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.681 -8.624 3.415 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.986 -9.187 5.050 1.00 0.00 C ATOM 0 H THR A 83 14.490 -6.167 2.620 1.00 0.00 H new ATOM 0 HA THR A 83 13.433 -8.739 2.201 1.00 0.00 H new ATOM 0 HB THR A 83 14.627 -7.232 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.352 -8.782 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.762 -9.332 5.802 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.079 -8.820 5.531 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.776 -10.137 4.558 1.00 0.00 H new ATOM 1332 N GLU A 84 11.737 -6.866 4.342 1.00 0.00 N ATOM 1333 CA GLU A 84 10.449 -6.716 5.010 1.00 0.00 C ATOM 1334 C GLU A 84 9.297 -6.696 4.006 1.00 0.00 C ATOM 1335 O GLU A 84 8.263 -7.328 4.229 1.00 0.00 O ATOM 1336 CB GLU A 84 10.433 -5.443 5.856 1.00 0.00 C ATOM 1337 CG GLU A 84 11.596 -5.351 6.826 1.00 0.00 C ATOM 1338 CD GLU A 84 11.420 -4.258 7.857 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.876 -4.544 8.949 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.826 -3.111 7.592 1.00 0.00 O ATOM 0 H GLU A 84 12.404 -6.124 4.551 1.00 0.00 H new ATOM 0 HA GLU A 84 10.311 -7.579 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.451 -4.576 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.498 -5.399 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.714 -6.308 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.515 -5.172 6.267 1.00 0.00 H new ATOM 1347 N VAL A 85 9.480 -5.979 2.901 1.00 0.00 N ATOM 1348 CA VAL A 85 8.488 -5.948 1.836 1.00 0.00 C ATOM 1349 C VAL A 85 8.230 -7.351 1.285 1.00 0.00 C ATOM 1350 O VAL A 85 7.084 -7.785 1.192 1.00 0.00 O ATOM 1351 CB VAL A 85 8.934 -5.025 0.685 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.091 -5.263 -0.554 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.850 -3.571 1.112 1.00 0.00 C ATOM 0 H VAL A 85 10.308 -5.411 2.722 1.00 0.00 H new ATOM 0 HA VAL A 85 7.566 -5.557 2.267 1.00 0.00 H new ATOM 0 HB VAL A 85 9.971 -5.258 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.424 -4.601 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.198 -6.300 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.045 -5.060 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.168 -2.931 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.822 -3.330 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.500 -3.406 1.972 1.00 0.00 H new ATOM 1363 N LEU A 86 9.307 -8.055 0.935 1.00 0.00 N ATOM 1364 CA LEU A 86 9.214 -9.402 0.376 1.00 0.00 C ATOM 1365 C LEU A 86 8.455 -10.347 1.302 1.00 0.00 C ATOM 1366 O LEU A 86 7.770 -11.262 0.845 1.00 0.00 O ATOM 1367 CB LEU A 86 10.610 -9.965 0.110 1.00 0.00 C ATOM 1368 CG LEU A 86 11.349 -9.330 -1.059 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.823 -9.690 -1.006 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.740 -9.785 -2.372 1.00 0.00 C ATOM 0 H LEU A 86 10.262 -7.710 1.031 1.00 0.00 H new ATOM 0 HA LEU A 86 8.663 -9.326 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.212 -9.842 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.524 -11.036 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 86 11.254 -8.246 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.340 -9.230 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.253 -9.326 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.935 -10.773 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.277 -9.324 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.813 -10.870 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.692 -9.488 -2.409 1.00 0.00 H new ATOM 1382 N LYS A 87 8.569 -10.113 2.602 1.00 0.00 N ATOM 1383 CA LYS A 87 7.910 -10.952 3.599 1.00 0.00 C ATOM 1384 C LYS A 87 6.416 -10.645 3.669 1.00 0.00 C ATOM 1385 O LYS A 87 5.657 -11.336 4.352 1.00 0.00 O ATOM 1386 CB LYS A 87 8.569 -10.757 4.966 1.00 0.00 C ATOM 1387 CG LYS A 87 9.979 -11.322 5.033 1.00 0.00 C ATOM 1388 CD LYS A 87 10.709 -10.896 6.296 1.00 0.00 C ATOM 1389 CE LYS A 87 10.010 -11.387 7.551 1.00 0.00 C ATOM 1390 NZ LYS A 87 10.689 -10.903 8.780 1.00 0.00 N ATOM 0 H LYS A 87 9.114 -9.345 2.994 1.00 0.00 H new ATOM 0 HA LYS A 87 8.021 -11.995 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.599 -9.693 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.956 -11.235 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.935 -12.410 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.543 -10.992 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.728 -11.283 6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.782 -9.809 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.975 -11.046 7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.987 -12.477 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.185 -11.257 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.670 -11.249 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.689 -9.863 8.790 1.00 0.00 H new ATOM 1404 N CYS A 88 6.004 -9.611 2.955 1.00 0.00 N ATOM 1405 CA CYS A 88 4.596 -9.257 2.848 1.00 0.00 C ATOM 1406 C CYS A 88 4.098 -9.466 1.422 1.00 0.00 C ATOM 1407 O CYS A 88 2.895 -9.419 1.161 1.00 0.00 O ATOM 1408 CB CYS A 88 4.371 -7.810 3.284 1.00 0.00 C ATOM 1409 SG CYS A 88 4.208 -7.605 5.087 1.00 0.00 S ATOM 0 H CYS A 88 6.630 -8.996 2.436 1.00 0.00 H new ATOM 0 HA CYS A 88 4.028 -9.909 3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.203 -7.200 2.932 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.471 -7.430 2.801 1.00 0.00 H new ATOM 1414 N VAL A 89 5.030 -9.685 0.498 1.00 0.00 N ATOM 1415 CA VAL A 89 4.682 -9.978 -0.880 1.00 0.00 C ATOM 1416 C VAL A 89 4.090 -11.375 -0.979 1.00 0.00 C ATOM 1417 O VAL A 89 4.803 -12.378 -0.912 1.00 0.00 O ATOM 1418 CB VAL A 89 5.901 -9.853 -1.816 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.538 -10.276 -3.225 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.430 -8.429 -1.822 1.00 0.00 C ATOM 0 H VAL A 89 6.033 -9.664 0.684 1.00 0.00 H new ATOM 0 HA VAL A 89 3.942 -9.244 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 89 6.682 -10.514 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.411 -10.181 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.203 -11.313 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.738 -9.639 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.290 -8.363 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.649 -7.752 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.731 -8.148 -0.813 1.00 0.00 H new ATOM 1430 N ASP A 90 2.780 -11.426 -1.117 1.00 0.00 N ATOM 1431 CA ASP A 90 2.063 -12.689 -1.137 1.00 0.00 C ATOM 1432 C ASP A 90 1.651 -13.037 -2.568 1.00 0.00 C ATOM 1433 O ASP A 90 1.888 -12.262 -3.497 1.00 0.00 O ATOM 1434 CB ASP A 90 0.833 -12.591 -0.228 1.00 0.00 C ATOM 1435 CG ASP A 90 0.442 -13.925 0.380 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.553 -14.072 1.618 1.00 0.00 O ATOM 1437 OD2 ASP A 90 0.032 -14.839 -0.370 1.00 0.00 O ATOM 0 H ASP A 90 2.186 -10.603 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 90 2.713 -13.482 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.034 -11.878 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.007 -12.199 -0.802 1.00 0.00 H new ATOM 1442 N LYS A 91 1.041 -14.200 -2.735 1.00 0.00 N ATOM 1443 CA LYS A 91 0.622 -14.683 -4.046 1.00 0.00 C ATOM 1444 C LYS A 91 -0.866 -14.430 -4.239 1.00 0.00 C ATOM 1445 O LYS A 91 -1.625 -14.389 -3.269 1.00 0.00 O ATOM 1446 CB LYS A 91 0.915 -16.179 -4.176 1.00 0.00 C ATOM 1447 CG LYS A 91 2.309 -16.566 -3.712 1.00 0.00 C ATOM 1448 CD LYS A 91 3.381 -15.835 -4.502 1.00 0.00 C ATOM 1449 CE LYS A 91 4.773 -16.108 -3.959 1.00 0.00 C ATOM 1450 NZ LYS A 91 5.814 -15.370 -4.720 1.00 0.00 N ATOM 0 H LYS A 91 0.822 -14.836 -1.969 1.00 0.00 H new ATOM 0 HA LYS A 91 1.180 -14.146 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.180 -16.737 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.792 -16.476 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.417 -16.337 -2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.445 -17.642 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.333 -16.141 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.185 -14.763 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.817 -15.820 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.978 -17.178 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.751 -15.581 -4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.789 -15.664 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.632 -14.348 -4.655 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.281 -14.266 -5.489 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.670 -13.947 -5.813 1.00 0.00 C ATOM 1466 C ASN A 92 -3.552 -15.190 -5.710 1.00 0.00 C ATOM 1467 O ASN A 92 -4.122 -15.661 -6.694 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.762 -13.334 -7.213 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.139 -12.778 -7.532 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.917 -12.448 -6.635 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.438 -12.644 -8.817 1.00 0.00 N ATOM 0 H ASN A 92 -0.671 -14.349 -6.303 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.032 -13.216 -5.090 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.025 -12.536 -7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.503 -14.092 -7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.340 -12.256 -9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.766 -12.929 -9.529 1.00 0.00 H new ATOM 1478 N THR A 93 -3.653 -15.709 -4.496 1.00 0.00 N ATOM 1479 CA THR A 93 -4.482 -16.864 -4.203 1.00 0.00 C ATOM 1480 C THR A 93 -5.959 -16.484 -4.154 1.00 0.00 C ATOM 1481 O THR A 93 -6.839 -17.335 -4.291 1.00 0.00 O ATOM 1482 CB THR A 93 -4.073 -17.484 -2.855 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.056 -16.472 -1.837 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.702 -18.129 -2.955 1.00 0.00 C ATOM 0 H THR A 93 -3.159 -15.338 -3.684 1.00 0.00 H new ATOM 0 HA THR A 93 -4.334 -17.590 -5.002 1.00 0.00 H new ATOM 0 HB THR A 93 -4.802 -18.251 -2.594 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.797 -16.873 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.432 -18.561 -1.991 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.723 -18.914 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.965 -17.376 -3.234 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.223 -15.196 -3.965 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.592 -14.699 -3.884 1.00 0.00 C ATOM 1494 C ASP A 94 -8.162 -14.464 -5.272 1.00 0.00 C ATOM 1495 O ASP A 94 -9.364 -14.266 -5.437 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.659 -13.396 -3.083 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.180 -13.563 -1.658 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -7.840 -14.283 -0.883 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -6.145 -12.964 -1.302 1.00 0.00 O ATOM 0 H ASP A 94 -5.507 -14.477 -3.865 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.185 -15.458 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.054 -12.637 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.686 -13.030 -3.077 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.273 -14.480 -6.264 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.636 -14.270 -7.662 1.00 0.00 C ATOM 1506 C ASN A 95 -8.311 -12.917 -7.867 1.00 0.00 C ATOM 1507 O ASN A 95 -9.128 -12.751 -8.773 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.538 -15.394 -8.173 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.827 -16.729 -8.248 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -6.609 -16.793 -8.419 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -8.583 -17.808 -8.135 1.00 0.00 N ATOM 0 H ASN A 95 -6.276 -14.640 -6.118 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.711 -14.279 -8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.404 -15.485 -7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.913 -15.131 -9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.160 -18.735 -8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.589 -17.714 -7.994 1.00 0.00 H new ATOM 1518 N ASN A 96 -7.956 -11.953 -7.025 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.544 -10.621 -7.086 1.00 0.00 C ATOM 1520 C ASN A 96 -7.513 -9.570 -6.685 1.00 0.00 C ATOM 1521 O ASN A 96 -6.908 -9.654 -5.614 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.768 -10.551 -6.169 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.304 -9.141 -6.019 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -9.891 -8.401 -5.126 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.231 -8.763 -6.879 1.00 0.00 N ATOM 0 H ASN A 96 -7.260 -12.071 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 96 -8.861 -10.418 -8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.553 -11.194 -6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.504 -10.942 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.632 -7.827 -6.818 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.546 -9.407 -7.605 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.333 -8.578 -7.550 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.279 -7.582 -7.389 1.00 0.00 C ATOM 1534 C ALA A 97 -6.509 -6.669 -6.186 1.00 0.00 C ATOM 1535 O ALA A 97 -5.549 -6.263 -5.532 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.129 -6.759 -8.660 1.00 0.00 C ATOM 0 H ALA A 97 -7.911 -8.441 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.354 -8.127 -7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.339 -6.020 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.872 -7.416 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.068 -6.250 -8.877 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.766 -6.333 -5.892 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.064 -5.492 -4.731 1.00 0.00 C ATOM 1544 C CYS A 98 -7.628 -6.193 -3.447 1.00 0.00 C ATOM 1545 O CYS A 98 -7.049 -5.574 -2.556 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.557 -5.144 -4.639 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.219 -4.242 -6.079 1.00 0.00 S ATOM 0 H CYS A 98 -8.582 -6.624 -6.431 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.508 -4.563 -4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.124 -6.066 -4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.722 -4.544 -3.744 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.883 -7.496 -3.378 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.514 -8.287 -2.208 1.00 0.00 C ATOM 1554 C HIS A 99 -6.002 -8.471 -2.140 1.00 0.00 C ATOM 1555 O HIS A 99 -5.426 -8.568 -1.062 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.198 -9.659 -2.244 1.00 0.00 C ATOM 1557 CG HIS A 99 -9.646 -9.639 -1.849 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -10.660 -9.270 -2.707 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -10.251 -9.971 -0.682 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -11.819 -9.375 -2.090 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -11.598 -9.797 -0.862 1.00 0.00 N ATOM 0 H HIS A 99 -8.343 -8.027 -4.118 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.847 -7.749 -1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.114 -10.067 -3.251 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.662 -10.337 -1.580 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.532 -8.963 -3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.763 -10.309 0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.785 -9.153 -2.518 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.368 -8.509 -3.302 1.00 0.00 N ATOM 1571 CA TRP A 100 -3.930 -8.738 -3.383 1.00 0.00 C ATOM 1572 C TRP A 100 -3.158 -7.525 -2.858 1.00 0.00 C ATOM 1573 O TRP A 100 -2.300 -7.654 -1.981 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.531 -9.049 -4.833 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.141 -9.595 -4.986 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.248 -9.873 -3.992 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.495 -9.947 -6.214 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.087 -10.368 -4.527 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.212 -10.423 -5.889 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -1.876 -9.902 -7.559 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.691 -10.854 -6.858 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -0.980 -10.330 -8.519 1.00 0.00 C ATOM 1583 CH2 TRP A 100 0.291 -10.800 -8.167 1.00 0.00 C ATOM 0 H TRP A 100 -5.826 -8.384 -4.205 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.676 -9.594 -2.758 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.239 -9.767 -5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.619 -8.138 -5.425 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.430 -9.725 -2.938 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.737 -10.650 -3.996 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.853 -9.539 -7.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.671 -11.218 -6.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.265 -10.302 -9.560 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.969 -11.126 -8.942 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.485 -6.350 -3.384 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.810 -5.115 -3.000 1.00 0.00 C ATOM 1596 C ALA A 101 -3.079 -4.765 -1.543 1.00 0.00 C ATOM 1597 O ALA A 101 -2.164 -4.402 -0.802 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.255 -3.974 -3.897 1.00 0.00 C ATOM 0 H ALA A 101 -4.218 -6.226 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.738 -5.270 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.744 -3.058 -3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.009 -4.208 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.332 -3.836 -3.803 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.337 -4.887 -1.138 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.740 -4.532 0.215 1.00 0.00 C ATOM 1606 C PHE A 102 -4.067 -5.440 1.238 1.00 0.00 C ATOM 1607 O PHE A 102 -3.737 -5.011 2.342 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.259 -4.603 0.356 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.755 -4.237 1.730 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.210 -5.208 2.610 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.757 -2.914 2.140 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.658 -4.863 3.871 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.204 -2.564 3.398 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.655 -3.539 4.265 1.00 0.00 C ATOM 0 H PHE A 102 -5.095 -5.229 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.421 -3.508 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.715 -3.936 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.591 -5.613 0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.214 -6.244 2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.404 -2.147 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.010 -5.628 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.201 -1.528 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.005 -3.267 5.250 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.846 -6.689 0.851 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.237 -7.670 1.733 1.00 0.00 C ATOM 1626 C ARG A 103 -1.764 -7.343 1.951 1.00 0.00 C ATOM 1627 O ARG A 103 -1.235 -7.517 3.051 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.397 -9.065 1.144 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.972 -10.178 2.079 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.413 -11.531 1.552 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.388 -11.566 0.088 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.015 -12.617 -0.638 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.682 -13.761 -0.053 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -3.002 -12.529 -1.961 1.00 0.00 N ATOM 0 H ARG A 103 -4.082 -7.047 -0.075 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.739 -7.640 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.441 -9.215 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.812 -9.131 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.888 -10.165 2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.401 -10.011 3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.759 -12.308 1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.420 -11.751 1.906 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.677 -10.725 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.710 -13.841 0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.398 -14.560 -0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.277 -11.659 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.717 -13.331 -2.523 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.114 -6.850 0.900 1.00 0.00 N ATOM 1649 CA GLY A 104 0.272 -6.428 1.010 1.00 0.00 C ATOM 1650 C GLY A 104 0.418 -5.250 1.953 1.00 0.00 C ATOM 1651 O GLY A 104 1.285 -5.243 2.831 1.00 0.00 O ATOM 0 H GLY A 104 -1.523 -6.735 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.880 -7.259 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.651 -6.156 0.025 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.456 -4.264 1.780 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.444 -3.059 2.598 1.00 0.00 C ATOM 1657 C PHE A 105 -0.754 -3.389 4.059 1.00 0.00 C ATOM 1658 O PHE A 105 -0.068 -2.927 4.969 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.452 -2.051 2.031 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.694 -0.849 2.901 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.630 -0.134 3.425 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -2.985 -0.425 3.180 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.847 0.978 4.214 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.206 0.686 3.970 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.137 1.388 4.487 1.00 0.00 C ATOM 0 H PHE A 105 -1.189 -4.278 1.071 1.00 0.00 H new ATOM 0 HA PHE A 105 0.552 -2.616 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.098 -1.713 1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.401 -2.560 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.381 -0.450 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.826 -0.969 2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.009 1.527 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.216 1.005 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.309 2.257 5.105 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.772 -4.216 4.262 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.215 -4.607 5.601 1.00 0.00 C ATOM 1677 C LYS A 106 -1.126 -5.381 6.347 1.00 0.00 C ATOM 1678 O LYS A 106 -0.936 -5.199 7.551 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.512 -5.433 5.497 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.745 -6.404 6.641 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.962 -7.285 6.378 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.133 -8.356 7.447 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.296 -9.242 7.175 1.00 0.00 N ATOM 0 H LYS A 106 -2.315 -4.636 3.507 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.416 -3.704 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.358 -4.748 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.495 -5.993 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.863 -7.029 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.888 -5.850 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.857 -6.664 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.862 -7.760 5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.226 -8.958 7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.261 -7.879 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.076 -10.209 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.128 -8.892 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.499 -9.245 6.155 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.411 -6.234 5.623 1.00 0.00 N ATOM 1698 CA CYS A 107 0.671 -7.024 6.199 1.00 0.00 C ATOM 1699 C CYS A 107 1.818 -6.132 6.659 1.00 0.00 C ATOM 1700 O CYS A 107 2.363 -6.306 7.752 1.00 0.00 O ATOM 1701 CB CYS A 107 1.171 -8.045 5.166 1.00 0.00 C ATOM 1702 SG CYS A 107 2.725 -8.898 5.614 1.00 0.00 S ATOM 0 H CYS A 107 -0.563 -6.397 4.628 1.00 0.00 H new ATOM 0 HA CYS A 107 0.288 -7.551 7.072 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.394 -8.794 5.012 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.315 -7.535 4.214 1.00 0.00 H new ATOM 1707 N PHE A 108 2.166 -5.162 5.825 1.00 0.00 N ATOM 1708 CA PHE A 108 3.342 -4.340 6.048 1.00 0.00 C ATOM 1709 C PHE A 108 3.093 -3.295 7.134 1.00 0.00 C ATOM 1710 O PHE A 108 3.902 -3.140 8.047 1.00 0.00 O ATOM 1711 CB PHE A 108 3.746 -3.667 4.738 1.00 0.00 C ATOM 1712 CG PHE A 108 5.129 -3.078 4.752 1.00 0.00 C ATOM 1713 CD1 PHE A 108 5.342 -1.769 5.153 1.00 0.00 C ATOM 1714 CD2 PHE A 108 6.219 -3.838 4.353 1.00 0.00 C ATOM 1715 CE1 PHE A 108 6.613 -1.230 5.155 1.00 0.00 C ATOM 1716 CE2 PHE A 108 7.490 -3.303 4.356 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.688 -1.999 4.755 1.00 0.00 C ATOM 0 H PHE A 108 1.644 -4.926 4.981 1.00 0.00 H new ATOM 0 HA PHE A 108 4.154 -4.980 6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.682 -4.398 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.029 -2.878 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.505 -1.164 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.070 -4.860 4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 108 6.766 -0.208 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.330 -3.906 4.046 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.683 -1.579 4.755 1.00 0.00 H new ATOM 1727 N GLN A 109 1.962 -2.596 7.044 1.00 0.00 N ATOM 1728 CA GLN A 109 1.637 -1.524 7.987 1.00 0.00 C ATOM 1729 C GLN A 109 1.539 -2.046 9.418 1.00 0.00 C ATOM 1730 O GLN A 109 1.749 -1.302 10.375 1.00 0.00 O ATOM 1731 CB GLN A 109 0.332 -0.823 7.580 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.923 -1.684 7.675 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.726 -1.435 8.942 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.180 -1.066 9.981 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.031 -1.636 8.861 1.00 0.00 N ATOM 0 H GLN A 109 1.254 -2.753 6.327 1.00 0.00 H new ATOM 0 HA GLN A 109 2.450 -0.798 7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.199 0.056 8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.433 -0.468 6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.555 -1.491 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.638 -2.735 7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.446 -1.942 7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.622 -1.485 9.678 1.00 0.00 H new ATOM 1744 N LYS A 110 1.244 -3.332 9.558 1.00 0.00 N ATOM 1745 CA LYS A 110 1.080 -3.941 10.865 1.00 0.00 C ATOM 1746 C LYS A 110 2.404 -3.949 11.621 1.00 0.00 C ATOM 1747 O LYS A 110 2.430 -3.957 12.851 1.00 0.00 O ATOM 1748 CB LYS A 110 0.567 -5.370 10.709 1.00 0.00 C ATOM 1749 CG LYS A 110 0.025 -5.959 11.994 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.230 -7.450 11.863 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.042 -7.981 13.035 1.00 0.00 C ATOM 1752 NZ LYS A 110 -0.383 -7.720 14.344 1.00 0.00 N ATOM 0 H LYS A 110 1.113 -3.974 8.776 1.00 0.00 H new ATOM 0 HA LYS A 110 0.357 -3.356 11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.217 -5.386 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.377 -6.001 10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.733 -5.780 12.803 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.902 -5.453 12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.760 -7.649 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.721 -7.980 11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.029 -7.519 13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.192 -9.054 12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.920 -8.187 15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.587 -8.095 14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.355 -6.695 14.520 1.00 0.00 H new ATOM 1766 N ASN A 111 3.502 -3.942 10.877 1.00 0.00 N ATOM 1767 CA ASN A 111 4.823 -4.020 11.479 1.00 0.00 C ATOM 1768 C ASN A 111 5.634 -2.764 11.197 1.00 0.00 C ATOM 1769 O ASN A 111 6.545 -2.424 11.950 1.00 0.00 O ATOM 1770 CB ASN A 111 5.574 -5.245 10.958 1.00 0.00 C ATOM 1771 CG ASN A 111 4.797 -6.532 11.161 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.003 -6.934 10.310 1.00 0.00 O ATOM 1773 ND2 ASN A 111 5.019 -7.188 12.287 1.00 0.00 N ATOM 0 H ASN A 111 3.503 -3.883 9.859 1.00 0.00 H new ATOM 0 HA ASN A 111 4.690 -4.109 12.557 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.784 -5.114 9.896 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.536 -5.321 11.466 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.524 -8.060 12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.685 -6.822 12.968 1.00 0.00 H new ATOM 1780 N ASN A 112 5.301 -2.071 10.116 1.00 0.00 N ATOM 1781 CA ASN A 112 6.075 -0.909 9.692 1.00 0.00 C ATOM 1782 C ASN A 112 5.185 0.223 9.198 1.00 0.00 C ATOM 1783 O ASN A 112 5.287 0.638 8.045 1.00 0.00 O ATOM 1784 CB ASN A 112 7.046 -1.304 8.581 1.00 0.00 C ATOM 1785 CG ASN A 112 8.235 -2.086 9.090 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.827 -1.745 10.115 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.568 -3.162 8.402 1.00 0.00 N ATOM 0 H ASN A 112 4.504 -2.291 9.518 1.00 0.00 H new ATOM 0 HA ASN A 112 6.624 -0.552 10.564 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.517 -1.900 7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.398 -0.404 8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.343 -3.747 8.714 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.051 -3.408 7.558 1.00 0.00 H new ATOM 1794 N LEU A 113 4.327 0.737 10.064 1.00 0.00 N ATOM 1795 CA LEU A 113 3.459 1.840 9.678 1.00 0.00 C ATOM 1796 C LEU A 113 4.211 3.163 9.757 1.00 0.00 C ATOM 1797 O LEU A 113 3.990 4.068 8.949 1.00 0.00 O ATOM 1798 CB LEU A 113 2.199 1.897 10.542 1.00 0.00 C ATOM 1799 CG LEU A 113 1.283 3.081 10.251 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.718 2.973 8.843 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.166 3.151 11.277 1.00 0.00 C ATOM 0 H LEU A 113 4.212 0.415 11.025 1.00 0.00 H new ATOM 0 HA LEU A 113 3.149 1.667 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.635 0.975 10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.495 1.932 11.591 1.00 0.00 H new ATOM 0 HG LEU A 113 1.864 4.001 10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.066 3.824 8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.536 2.969 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.147 2.049 8.750 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.479 4.001 11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.420 2.232 11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.593 3.270 12.273 1.00 0.00 H new ATOM 1813 N SER A 114 5.114 3.262 10.723 1.00 0.00 N ATOM 1814 CA SER A 114 5.915 4.467 10.902 1.00 0.00 C ATOM 1815 C SER A 114 6.790 4.703 9.672 1.00 0.00 C ATOM 1816 O SER A 114 7.023 5.842 9.268 1.00 0.00 O ATOM 1817 CB SER A 114 6.781 4.330 12.155 1.00 0.00 C ATOM 1818 OG SER A 114 6.015 3.828 13.243 1.00 0.00 O ATOM 0 H SER A 114 5.311 2.521 11.396 1.00 0.00 H new ATOM 0 HA SER A 114 5.252 5.323 11.024 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.618 3.661 11.954 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.204 5.299 12.418 1.00 0.00 H new ATOM 0 HG SER A 114 6.586 3.746 14.035 1.00 0.00 H new ATOM 1824 N LEU A 115 7.242 3.610 9.067 1.00 0.00 N ATOM 1825 CA LEU A 115 8.044 3.678 7.858 1.00 0.00 C ATOM 1826 C LEU A 115 7.209 4.185 6.689 1.00 0.00 C ATOM 1827 O LEU A 115 7.702 4.914 5.835 1.00 0.00 O ATOM 1828 CB LEU A 115 8.621 2.304 7.527 1.00 0.00 C ATOM 1829 CG LEU A 115 9.502 2.264 6.283 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.710 3.157 6.482 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.924 0.839 5.963 1.00 0.00 C ATOM 0 H LEU A 115 7.063 2.662 9.399 1.00 0.00 H new ATOM 0 HA LEU A 115 8.864 4.375 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.204 1.955 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.798 1.602 7.395 1.00 0.00 H new ATOM 0 HG LEU A 115 8.929 2.635 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.337 3.125 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.380 4.181 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.283 2.808 7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.551 0.837 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.485 0.428 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.039 0.229 5.785 1.00 0.00 H new ATOM 1843 N ILE A 116 5.940 3.801 6.668 1.00 0.00 N ATOM 1844 CA ILE A 116 5.030 4.223 5.614 1.00 0.00 C ATOM 1845 C ILE A 116 4.800 5.729 5.684 1.00 0.00 C ATOM 1846 O ILE A 116 4.755 6.416 4.663 1.00 0.00 O ATOM 1847 CB ILE A 116 3.683 3.473 5.708 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.903 1.986 5.428 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.667 4.051 4.735 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.656 1.146 5.591 1.00 0.00 C ATOM 0 H ILE A 116 5.517 3.196 7.372 1.00 0.00 H new ATOM 0 HA ILE A 116 5.488 3.979 4.656 1.00 0.00 H new ATOM 0 HB ILE A 116 3.286 3.595 6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.279 1.868 4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.675 1.609 6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.728 3.504 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.498 5.102 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.046 3.961 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.889 0.103 5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.290 1.233 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.889 1.496 4.900 1.00 0.00 H new ATOM 1862 N LYS A 117 4.683 6.236 6.903 1.00 0.00 N ATOM 1863 CA LYS A 117 4.522 7.664 7.129 1.00 0.00 C ATOM 1864 C LYS A 117 5.777 8.424 6.701 1.00 0.00 C ATOM 1865 O LYS A 117 5.695 9.437 6.010 1.00 0.00 O ATOM 1866 CB LYS A 117 4.215 7.936 8.602 1.00 0.00 C ATOM 1867 CG LYS A 117 2.826 7.468 9.027 1.00 0.00 C ATOM 1868 CD LYS A 117 2.569 7.733 10.504 1.00 0.00 C ATOM 1869 CE LYS A 117 1.163 7.318 10.919 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.934 7.530 12.373 1.00 0.00 N ATOM 0 H LYS A 117 4.697 5.675 7.755 1.00 0.00 H new ATOM 0 HA LYS A 117 3.685 8.015 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.963 7.438 9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.304 9.005 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.071 7.979 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.724 6.402 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.300 7.189 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.711 8.793 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.431 7.890 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.007 6.267 10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.033 7.237 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.616 6.965 12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.058 8.537 12.601 1.00 0.00 H new ATOM 1884 N ALA A 118 6.938 7.916 7.109 1.00 0.00 N ATOM 1885 CA ALA A 118 8.220 8.521 6.759 1.00 0.00 C ATOM 1886 C ALA A 118 8.485 8.437 5.259 1.00 0.00 C ATOM 1887 O ALA A 118 9.128 9.314 4.680 1.00 0.00 O ATOM 1888 CB ALA A 118 9.331 7.833 7.522 1.00 0.00 C ATOM 0 H ALA A 118 7.016 7.079 7.687 1.00 0.00 H new ATOM 0 HA ALA A 118 8.186 9.576 7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.287 8.286 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.159 7.943 8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.348 6.774 7.264 1.00 0.00 H new ATOM 1894 N SER A 119 7.997 7.366 4.650 1.00 0.00 N ATOM 1895 CA SER A 119 8.140 7.135 3.218 1.00 0.00 C ATOM 1896 C SER A 119 7.615 8.318 2.405 1.00 0.00 C ATOM 1897 O SER A 119 8.285 8.806 1.494 1.00 0.00 O ATOM 1898 CB SER A 119 7.388 5.857 2.832 1.00 0.00 C ATOM 1899 OG SER A 119 7.518 5.567 1.453 1.00 0.00 O ATOM 0 H SER A 119 7.488 6.628 5.137 1.00 0.00 H new ATOM 0 HA SER A 119 9.200 7.023 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.769 5.020 3.417 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.333 5.966 3.083 1.00 0.00 H new ATOM 0 HG SER A 119 6.631 5.553 1.037 1.00 0.00 H new ATOM 1905 N ILE A 120 6.425 8.786 2.754 1.00 0.00 N ATOM 1906 CA ILE A 120 5.773 9.852 2.006 1.00 0.00 C ATOM 1907 C ILE A 120 6.060 11.219 2.616 1.00 0.00 C ATOM 1908 O ILE A 120 5.590 12.244 2.119 1.00 0.00 O ATOM 1909 CB ILE A 120 4.247 9.645 1.958 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.680 9.553 3.373 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.911 8.395 1.165 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.174 9.623 3.424 1.00 0.00 C ATOM 0 H ILE A 120 5.890 8.443 3.552 1.00 0.00 H new ATOM 0 HA ILE A 120 6.179 9.817 0.995 1.00 0.00 H new ATOM 0 HB ILE A 120 3.792 10.502 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.008 8.618 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.094 10.362 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.830 8.260 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.289 8.497 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.373 7.529 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.841 9.552 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.839 10.570 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.752 8.798 2.850 1.00 0.00 H new ATOM 1924 N LYS A 121 6.827 11.236 3.693 1.00 0.00 N ATOM 1925 CA LYS A 121 7.081 12.467 4.411 1.00 0.00 C ATOM 1926 C LYS A 121 8.242 13.233 3.787 1.00 0.00 C ATOM 1927 O LYS A 121 9.369 12.741 3.731 1.00 0.00 O ATOM 1928 CB LYS A 121 7.373 12.163 5.880 1.00 0.00 C ATOM 1929 CG LYS A 121 7.415 13.398 6.769 1.00 0.00 C ATOM 1930 CD LYS A 121 6.074 14.115 6.782 1.00 0.00 C ATOM 1931 CE LYS A 121 6.094 15.318 7.706 1.00 0.00 C ATOM 1932 NZ LYS A 121 4.796 16.042 7.699 1.00 0.00 N ATOM 0 H LYS A 121 7.282 10.412 4.086 1.00 0.00 H new ATOM 0 HA LYS A 121 6.191 13.093 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.611 11.481 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.329 11.644 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 121 7.685 13.109 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 121 8.190 14.078 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.822 14.436 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.294 13.424 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.323 14.993 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.890 15.997 7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.850 16.857 8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.589 16.374 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.040 15.402 8.014 1.00 0.00 H new ATOM 1946 N LYS A 122 7.958 14.439 3.328 1.00 0.00 N ATOM 1947 CA LYS A 122 8.965 15.294 2.723 1.00 0.00 C ATOM 1948 C LYS A 122 8.537 16.744 2.840 1.00 0.00 C ATOM 1949 O LYS A 122 7.372 17.077 2.622 1.00 0.00 O ATOM 1950 CB LYS A 122 9.179 14.936 1.249 1.00 0.00 C ATOM 1951 CG LYS A 122 10.636 14.735 0.857 1.00 0.00 C ATOM 1952 CD LYS A 122 11.423 16.033 0.953 1.00 0.00 C ATOM 1953 CE LYS A 122 12.882 15.838 0.576 1.00 0.00 C ATOM 1954 NZ LYS A 122 13.043 15.435 -0.845 1.00 0.00 N ATOM 0 H LYS A 122 7.026 14.853 3.364 1.00 0.00 H new ATOM 0 HA LYS A 122 9.907 15.143 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.626 14.024 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.754 15.726 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.088 13.985 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 122 10.690 14.350 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.975 16.779 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 122 11.359 16.422 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 122 13.429 16.764 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.324 15.078 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.049 15.477 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.693 14.464 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 12.500 16.081 -1.453 1.00 0.00 H new ATOM 1968 N ASP A 123 9.476 17.593 3.212 1.00 0.00 N ATOM 1969 CA ASP A 123 9.223 19.019 3.315 1.00 0.00 C ATOM 1970 C ASP A 123 9.260 19.658 1.936 1.00 0.00 C ATOM 1971 O ASP A 123 8.177 19.942 1.381 1.00 0.00 O ATOM 1972 CB ASP A 123 10.253 19.678 4.230 1.00 0.00 C ATOM 1973 CG ASP A 123 10.077 21.181 4.312 1.00 0.00 C ATOM 1974 OD1 ASP A 123 9.099 21.637 4.934 1.00 0.00 O ATOM 1975 OD2 ASP A 123 10.935 21.914 3.775 1.00 0.00 O ATOM 1976 OXT ASP A 123 10.368 19.840 1.394 1.00 0.00 O ATOM 0 H ASP A 123 10.429 17.317 3.450 1.00 0.00 H new ATOM 0 HA ASP A 123 8.232 19.167 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.173 19.251 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.255 19.452 3.866 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.633 7.145 2.406 1.00 0.00 C HETATM 1983 C2 ACD A 201 -4.071 5.791 2.026 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.895 5.977 1.070 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.244 4.641 0.707 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.600 4.041 1.926 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.331 4.271 2.164 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.431 5.225 1.276 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.706 5.669 1.946 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.860 5.173 1.568 1.00 0.00 C HETATM 1991 C10 ACD A 201 2.926 4.203 0.421 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.323 3.650 0.303 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.514 2.364 0.158 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.343 1.435 -0.007 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.907 0.942 1.347 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.868 -0.342 1.595 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.365 -1.319 0.562 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.542 -2.697 1.191 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.785 -3.762 0.127 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.022 -5.127 0.772 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.130 -6.220 -0.282 1.00 0.00 C HETATM 2002 O1 ACD A 201 -4.699 7.453 3.610 1.00 0.00 O HETATM 2003 O2 ACD A 201 -5.005 7.910 1.500 1.00 0.00 O HETATM 0 H203 ACD A 201 3.206 -6.263 -0.858 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.963 -6.001 -0.949 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.299 -7.180 0.206 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.936 -5.098 1.366 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.205 -5.356 1.456 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.927 -3.815 -0.544 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.647 -3.486 -0.480 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.380 -2.677 1.887 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.654 -2.953 1.769 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.659 -1.376 -0.266 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.313 -0.974 0.149 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.520 1.952 -0.501 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.618 0.593 -0.642 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.215 3.391 0.577 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.642 4.701 -0.506 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.773 5.465 2.087 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.669 6.406 2.748 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.662 4.741 0.327 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.188 6.093 1.049 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.170 3.777 2.997 1.00 0.00 H new HETATM 0 H5 ACD A 201 -2.183 3.420 2.606 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.993 3.958 0.307 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.498 4.790 -0.074 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.239 6.473 0.162 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.153 6.631 1.529 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.746 5.257 2.919 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.844 5.184 1.555 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.477 -0.704 2.546 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.624 1.655 2.121 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.528 1.964 0.157 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.178 4.325 0.339 1.00 0.00 H new