USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 180:sc= 0.0693 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -0.259 F(o=-3.8!,f=-0.19) USER MOD Set 2.1: A 18 TYR OH : rot 165:sc= 1.03 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 179:sc= 1.25 (180deg=0) USER MOD Set 3.1: A 50 THR OG1 : rot -75:sc= 0.411 USER MOD Set 3.2: A 54 ASN :FLIP amide:sc= -0.4 F(o=-4.5!,f=-2.6) USER MOD Set 3.3: A 69 CYS SG : rot -129:sc= -2.6! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 36:sc= 1.01 USER MOD Single : A 8 SER OG : rot 119:sc= -0.0736 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 1.88 (180deg=1.88) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0253 X(o=-0.025,f=0.084) USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= 1.24 (180deg=0.364) USER MOD Single : A 25 SER OG : rot -150:sc= -1.82! USER MOD Single : A 26 ASN : amide:sc= 0.406 K(o=0.41,f=-0.55) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.16) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 69:sc= 1.25 USER MOD Single : A 39 ASN : amide:sc= -0.033 K(o=-0.033,f=-1.2!) USER MOD Single : A 42 SER OG : rot -33:sc= 0.0124 USER MOD Single : A 45 TYR OH : rot 130:sc= 0.00165 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0714 (180deg=-0.391) USER MOD Single : A 57 CYS SG : rot -170:sc= -1.57 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.48! C(o=-3.5!,f=-5.3!) USER MOD Single : A 61 MET CE :methyl -176:sc= -1.86 (180deg=-1.94) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -170:sc= 0.121 USER MOD Single : A 70 THR OG1 : rot -38:sc= 0.478 USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.347 -3.522 6.049 1.00 0.00 N ATOM 39 CA LYS A 3 -18.412 -2.469 5.690 1.00 0.00 C ATOM 40 C LYS A 3 -17.126 -2.612 6.495 1.00 0.00 C ATOM 41 O LYS A 3 -17.118 -2.472 7.718 1.00 0.00 O ATOM 42 CB LYS A 3 -19.033 -1.090 5.914 1.00 0.00 C ATOM 43 CG LYS A 3 -20.206 -0.804 4.995 1.00 0.00 C ATOM 44 CD LYS A 3 -20.677 0.630 5.122 1.00 0.00 C ATOM 45 CE LYS A 3 -21.766 0.940 4.111 1.00 0.00 C ATOM 46 NZ LYS A 3 -22.162 2.369 4.143 1.00 0.00 N ATOM 0 HA LYS A 3 -18.176 -2.565 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.364 -1.012 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -18.269 -0.327 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.917 -1.003 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -21.028 -1.480 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -21.052 0.805 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.836 1.307 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.417 0.683 3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.637 0.317 4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -22.907 2.539 3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -22.520 2.609 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.337 2.963 3.924 1.00 0.00 H new ATOM 60 N ASP A 4 -16.046 -2.893 5.794 1.00 0.00 N ATOM 61 CA ASP A 4 -14.780 -3.204 6.440 1.00 0.00 C ATOM 62 C ASP A 4 -13.658 -2.326 5.919 1.00 0.00 C ATOM 63 O ASP A 4 -13.864 -1.466 5.061 1.00 0.00 O ATOM 64 CB ASP A 4 -14.407 -4.678 6.246 1.00 0.00 C ATOM 65 CG ASP A 4 -15.105 -5.592 7.232 1.00 0.00 C ATOM 66 OD1 ASP A 4 -14.699 -5.612 8.414 1.00 0.00 O ATOM 67 OD2 ASP A 4 -16.051 -6.299 6.832 1.00 0.00 O ATOM 0 H ASP A 4 -16.017 -2.913 4.775 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.911 -3.007 7.504 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.662 -4.983 5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.328 -4.793 6.351 1.00 0.00 H new ATOM 72 N ILE A 5 -12.473 -2.546 6.464 1.00 0.00 N ATOM 73 CA ILE A 5 -11.285 -1.835 6.037 1.00 0.00 C ATOM 74 C ILE A 5 -10.753 -2.429 4.743 1.00 0.00 C ATOM 75 O ILE A 5 -10.366 -3.600 4.702 1.00 0.00 O ATOM 76 CB ILE A 5 -10.181 -1.897 7.116 1.00 0.00 C ATOM 77 CG1 ILE A 5 -10.617 -1.131 8.367 1.00 0.00 C ATOM 78 CG2 ILE A 5 -8.868 -1.344 6.579 1.00 0.00 C ATOM 79 CD1 ILE A 5 -10.902 0.332 8.114 1.00 0.00 C ATOM 0 H ILE A 5 -12.310 -3.220 7.212 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.562 -0.793 5.877 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.023 -2.941 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.511 -1.601 8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -9.837 -1.215 9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.106 -1.398 7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.551 -1.932 5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.007 -0.306 6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.205 0.810 9.045 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.003 0.817 7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.703 0.425 7.381 1.00 0.00 H new ATOM 91 N PHE A 6 -10.764 -1.634 3.685 1.00 0.00 N ATOM 92 CA PHE A 6 -10.171 -2.044 2.422 1.00 0.00 C ATOM 93 C PHE A 6 -8.691 -2.351 2.608 1.00 0.00 C ATOM 94 O PHE A 6 -7.950 -1.545 3.173 1.00 0.00 O ATOM 95 CB PHE A 6 -10.349 -0.945 1.372 1.00 0.00 C ATOM 96 CG PHE A 6 -9.673 -1.229 0.063 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.306 -1.986 -0.911 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.403 -0.743 -0.192 1.00 0.00 C ATOM 99 CE1 PHE A 6 -9.680 -2.250 -2.114 1.00 0.00 C ATOM 100 CE2 PHE A 6 -7.775 -1.003 -1.391 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.413 -1.760 -2.354 1.00 0.00 C ATOM 0 H PHE A 6 -11.177 -0.701 3.676 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.677 -2.946 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.414 -0.798 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.961 -0.009 1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.298 -2.373 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -7.897 -0.153 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.182 -2.840 -2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.784 -0.615 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.921 -1.968 -3.293 1.00 0.00 H new ATOM 111 N THR A 7 -8.274 -3.522 2.161 1.00 0.00 N ATOM 112 CA THR A 7 -6.873 -3.890 2.180 1.00 0.00 C ATOM 113 C THR A 7 -6.584 -4.909 1.083 1.00 0.00 C ATOM 114 O THR A 7 -7.361 -5.844 0.862 1.00 0.00 O ATOM 115 CB THR A 7 -6.441 -4.440 3.562 1.00 0.00 C ATOM 116 OG1 THR A 7 -5.039 -4.749 3.556 1.00 0.00 O ATOM 117 CG2 THR A 7 -7.239 -5.679 3.948 1.00 0.00 C ATOM 0 H THR A 7 -8.892 -4.238 1.778 1.00 0.00 H new ATOM 0 HA THR A 7 -6.289 -2.989 1.993 1.00 0.00 H new ATOM 0 HB THR A 7 -6.641 -3.665 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.561 -4.091 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.908 -6.036 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.299 -5.429 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.082 -6.459 3.203 1.00 0.00 H new ATOM 125 N SER A 8 -5.493 -4.702 0.368 1.00 0.00 N ATOM 126 CA SER A 8 -5.116 -5.580 -0.726 1.00 0.00 C ATOM 127 C SER A 8 -3.608 -5.552 -0.932 1.00 0.00 C ATOM 128 O SER A 8 -2.915 -4.712 -0.359 1.00 0.00 O ATOM 129 CB SER A 8 -5.837 -5.160 -2.009 1.00 0.00 C ATOM 130 OG SER A 8 -7.244 -5.204 -1.838 1.00 0.00 O ATOM 0 H SER A 8 -4.848 -3.928 0.527 1.00 0.00 H new ATOM 0 HA SER A 8 -5.411 -6.599 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.532 -4.151 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.546 -5.819 -2.827 1.00 0.00 H new ATOM 0 HG SER A 8 -7.619 -4.310 -1.979 1.00 0.00 H new ATOM 136 N VAL A 9 -3.107 -6.464 -1.746 1.00 0.00 N ATOM 137 CA VAL A 9 -1.681 -6.556 -2.005 1.00 0.00 C ATOM 138 C VAL A 9 -1.395 -6.221 -3.459 1.00 0.00 C ATOM 139 O VAL A 9 -1.889 -6.894 -4.368 1.00 0.00 O ATOM 140 CB VAL A 9 -1.131 -7.961 -1.677 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.364 -8.037 -1.948 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.432 -8.327 -0.232 1.00 0.00 C ATOM 0 H VAL A 9 -3.670 -7.155 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.179 -5.838 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.629 -8.680 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.727 -9.037 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.554 -7.824 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.884 -7.305 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.037 -9.320 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.965 -7.600 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.510 -8.323 -0.073 1.00 0.00 H new ATOM 152 N VAL A 10 -0.618 -5.173 -3.677 1.00 0.00 N ATOM 153 CA VAL A 10 -0.337 -4.705 -5.023 1.00 0.00 C ATOM 154 C VAL A 10 1.149 -4.802 -5.342 1.00 0.00 C ATOM 155 O VAL A 10 1.962 -5.129 -4.473 1.00 0.00 O ATOM 156 CB VAL A 10 -0.811 -3.248 -5.225 1.00 0.00 C ATOM 157 CG1 VAL A 10 -2.312 -3.143 -5.018 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.072 -2.298 -4.293 1.00 0.00 C ATOM 0 H VAL A 10 -0.171 -4.630 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.889 -5.352 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.582 -2.957 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.628 -2.110 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.824 -3.784 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.563 -3.459 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.425 -1.280 -4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.259 -2.585 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.998 -2.348 -4.496 1.00 0.00 H new ATOM 168 N ARG A 11 1.489 -4.526 -6.593 1.00 0.00 N ATOM 169 CA ARG A 11 2.873 -4.537 -7.039 1.00 0.00 C ATOM 170 C ARG A 11 3.625 -3.330 -6.495 1.00 0.00 C ATOM 171 O ARG A 11 3.191 -2.189 -6.659 1.00 0.00 O ATOM 172 CB ARG A 11 2.923 -4.549 -8.567 1.00 0.00 C ATOM 173 CG ARG A 11 3.383 -5.872 -9.147 1.00 0.00 C ATOM 174 CD ARG A 11 4.874 -6.080 -8.930 1.00 0.00 C ATOM 175 NE ARG A 11 5.329 -7.387 -9.400 1.00 0.00 N ATOM 176 CZ ARG A 11 5.440 -7.728 -10.685 1.00 0.00 C ATOM 177 NH1 ARG A 11 5.133 -6.857 -11.643 1.00 0.00 N ATOM 178 NH2 ARG A 11 5.868 -8.941 -11.011 1.00 0.00 N ATOM 0 H ARG A 11 0.817 -4.290 -7.323 1.00 0.00 H new ATOM 0 HA ARG A 11 3.356 -5.437 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.932 -4.315 -8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.594 -3.760 -8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.828 -6.688 -8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.161 -5.901 -10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.427 -5.297 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.101 -5.979 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 11 5.578 -8.085 -8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.810 -5.921 -11.397 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.220 -7.125 -12.623 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.111 -9.610 -10.280 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.954 -9.205 -11.993 1.00 0.00 H new ATOM 192 N VAL A 12 4.747 -3.587 -5.842 1.00 0.00 N ATOM 193 CA VAL A 12 5.535 -2.527 -5.240 1.00 0.00 C ATOM 194 C VAL A 12 6.792 -2.232 -6.066 1.00 0.00 C ATOM 195 O VAL A 12 7.557 -3.133 -6.420 1.00 0.00 O ATOM 196 CB VAL A 12 5.905 -2.869 -3.776 1.00 0.00 C ATOM 197 CG1 VAL A 12 6.662 -4.178 -3.683 1.00 0.00 C ATOM 198 CG2 VAL A 12 6.699 -1.749 -3.131 1.00 0.00 C ATOM 0 H VAL A 12 5.132 -4.523 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 12 4.922 -1.626 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 12 4.969 -2.983 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.905 -4.385 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.044 -4.984 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.582 -4.108 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.943 -2.021 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.620 -1.586 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.106 -0.834 -3.133 1.00 0.00 H new ATOM 208 N ARG A 13 6.986 -0.960 -6.370 1.00 0.00 N ATOM 209 CA ARG A 13 8.082 -0.510 -7.216 1.00 0.00 C ATOM 210 C ARG A 13 9.184 0.145 -6.382 1.00 0.00 C ATOM 211 O ARG A 13 8.906 0.828 -5.394 1.00 0.00 O ATOM 212 CB ARG A 13 7.530 0.468 -8.260 1.00 0.00 C ATOM 213 CG ARG A 13 8.590 1.210 -9.056 1.00 0.00 C ATOM 214 CD ARG A 13 7.959 2.062 -10.144 1.00 0.00 C ATOM 215 NE ARG A 13 8.922 2.971 -10.760 1.00 0.00 N ATOM 216 CZ ARG A 13 9.548 2.727 -11.913 1.00 0.00 C ATOM 217 NH1 ARG A 13 9.325 1.602 -12.578 1.00 0.00 N ATOM 218 NH2 ARG A 13 10.388 3.623 -12.412 1.00 0.00 N ATOM 0 H ARG A 13 6.386 -0.206 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 13 8.526 -1.368 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.893 -0.082 -8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.896 1.198 -7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.175 1.842 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.280 0.495 -9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.533 1.414 -10.910 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.137 2.639 -9.721 1.00 0.00 H new ATOM 0 HE ARG A 13 9.129 3.846 -10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.670 0.913 -12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.809 1.426 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.555 4.498 -11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.867 3.438 -13.293 1.00 0.00 H new ATOM 232 N GLY A 14 10.429 -0.091 -6.765 1.00 0.00 N ATOM 233 CA GLY A 14 11.551 0.514 -6.076 1.00 0.00 C ATOM 234 C GLY A 14 12.550 -0.522 -5.612 1.00 0.00 C ATOM 235 O GLY A 14 12.263 -1.718 -5.643 1.00 0.00 O ATOM 0 H GLY A 14 10.684 -0.695 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.045 1.224 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.188 1.079 -5.218 1.00 0.00 H new ATOM 239 N SER A 15 13.720 -0.073 -5.190 1.00 0.00 N ATOM 240 CA SER A 15 14.741 -0.976 -4.686 1.00 0.00 C ATOM 241 C SER A 15 14.497 -1.307 -3.216 1.00 0.00 C ATOM 242 O SER A 15 14.766 -0.499 -2.326 1.00 0.00 O ATOM 243 CB SER A 15 16.128 -0.367 -4.884 1.00 0.00 C ATOM 244 OG SER A 15 16.376 -0.123 -6.261 1.00 0.00 O ATOM 0 H SER A 15 13.987 0.912 -5.186 1.00 0.00 H new ATOM 0 HA SER A 15 14.688 -1.907 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.205 0.565 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.887 -1.041 -4.486 1.00 0.00 H new ATOM 0 HG SER A 15 17.268 0.269 -6.368 1.00 0.00 H new ATOM 250 N LYS A 16 13.957 -2.494 -2.983 1.00 0.00 N ATOM 251 CA LYS A 16 13.644 -2.974 -1.642 1.00 0.00 C ATOM 252 C LYS A 16 13.538 -4.498 -1.646 1.00 0.00 C ATOM 253 O LYS A 16 13.787 -5.137 -2.668 1.00 0.00 O ATOM 254 CB LYS A 16 12.346 -2.339 -1.095 1.00 0.00 C ATOM 255 CG LYS A 16 11.276 -2.028 -2.140 1.00 0.00 C ATOM 256 CD LYS A 16 11.040 -3.193 -3.086 1.00 0.00 C ATOM 257 CE LYS A 16 9.883 -2.935 -4.030 1.00 0.00 C ATOM 258 NZ LYS A 16 10.075 -3.615 -5.339 1.00 0.00 N ATOM 0 H LYS A 16 13.722 -3.156 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 16 14.455 -2.673 -0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.918 -3.011 -0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.604 -1.415 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.342 -1.776 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.576 -1.151 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.945 -3.379 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.841 -4.095 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.957 -3.282 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.777 -1.862 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.263 -3.414 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.946 -3.265 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.151 -4.641 -5.189 1.00 0.00 H new ATOM 272 N LYS A 17 13.149 -5.076 -0.515 1.00 0.00 N ATOM 273 CA LYS A 17 13.116 -6.531 -0.375 1.00 0.00 C ATOM 274 C LYS A 17 11.749 -7.132 -0.707 1.00 0.00 C ATOM 275 O LYS A 17 11.579 -8.350 -0.657 1.00 0.00 O ATOM 276 CB LYS A 17 13.522 -6.938 1.045 1.00 0.00 C ATOM 277 CG LYS A 17 14.953 -6.570 1.394 1.00 0.00 C ATOM 278 CD LYS A 17 15.937 -7.191 0.416 1.00 0.00 C ATOM 279 CE LYS A 17 17.363 -6.789 0.736 1.00 0.00 C ATOM 280 NZ LYS A 17 18.328 -7.327 -0.256 1.00 0.00 N ATOM 0 H LYS A 17 12.853 -4.564 0.316 1.00 0.00 H new ATOM 0 HA LYS A 17 13.829 -6.927 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.849 -6.462 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.394 -8.015 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.064 -5.486 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.181 -6.906 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.848 -8.277 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.689 -6.880 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.436 -5.702 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.627 -7.149 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.291 -7.029 -0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.277 -8.366 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.093 -6.964 -1.202 1.00 0.00 H new ATOM 294 N TYR A 18 10.778 -6.299 -1.053 1.00 0.00 N ATOM 295 CA TYR A 18 9.435 -6.796 -1.339 1.00 0.00 C ATOM 296 C TYR A 18 9.090 -6.688 -2.814 1.00 0.00 C ATOM 297 O TYR A 18 9.485 -5.746 -3.483 1.00 0.00 O ATOM 298 CB TYR A 18 8.390 -6.065 -0.498 1.00 0.00 C ATOM 299 CG TYR A 18 8.343 -6.531 0.941 1.00 0.00 C ATOM 300 CD1 TYR A 18 7.812 -7.773 1.265 1.00 0.00 C ATOM 301 CD2 TYR A 18 8.827 -5.736 1.970 1.00 0.00 C ATOM 302 CE1 TYR A 18 7.763 -8.209 2.575 1.00 0.00 C ATOM 303 CE2 TYR A 18 8.782 -6.166 3.284 1.00 0.00 C ATOM 304 CZ TYR A 18 8.249 -7.402 3.581 1.00 0.00 C ATOM 305 OH TYR A 18 8.197 -7.829 4.889 1.00 0.00 O ATOM 0 H TYR A 18 10.889 -5.289 -1.142 1.00 0.00 H new ATOM 0 HA TYR A 18 9.425 -7.853 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.601 -4.996 -0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.408 -6.205 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.431 -8.409 0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.245 -4.767 1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.346 -9.177 2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.163 -5.536 4.074 1.00 0.00 H new ATOM 0 HH TYR A 18 8.780 -7.266 5.440 1.00 0.00 H new ATOM 315 N ASN A 19 8.365 -7.674 -3.316 1.00 0.00 N ATOM 316 CA ASN A 19 7.889 -7.645 -4.693 1.00 0.00 C ATOM 317 C ASN A 19 6.398 -7.313 -4.699 1.00 0.00 C ATOM 318 O ASN A 19 5.811 -6.991 -5.730 1.00 0.00 O ATOM 319 CB ASN A 19 8.160 -8.997 -5.365 1.00 0.00 C ATOM 320 CG ASN A 19 8.214 -8.916 -6.883 1.00 0.00 C ATOM 321 OD1 ASN A 19 7.507 -8.132 -7.512 1.00 0.00 O ATOM 322 ND2 ASN A 19 9.074 -9.726 -7.482 1.00 0.00 N ATOM 0 H ASN A 19 8.092 -8.506 -2.792 1.00 0.00 H new ATOM 0 HA ASN A 19 8.419 -6.878 -5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.105 -9.395 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.382 -9.702 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.165 -9.712 -8.498 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.645 -10.364 -6.927 1.00 0.00 H new ATOM 329 N VAL A 20 5.810 -7.342 -3.509 1.00 0.00 N ATOM 330 CA VAL A 20 4.394 -7.056 -3.323 1.00 0.00 C ATOM 331 C VAL A 20 4.200 -6.278 -2.025 1.00 0.00 C ATOM 332 O VAL A 20 4.968 -6.453 -1.076 1.00 0.00 O ATOM 333 CB VAL A 20 3.536 -8.345 -3.283 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.481 -9.012 -4.650 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.063 -9.316 -2.234 1.00 0.00 C ATOM 0 H VAL A 20 6.303 -7.565 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 20 4.062 -6.465 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 20 2.521 -8.059 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.872 -9.914 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.042 -8.325 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.490 -9.276 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.444 -10.213 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.091 -9.587 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.031 -8.844 -1.252 1.00 0.00 H new ATOM 345 N VAL A 21 3.199 -5.411 -1.987 1.00 0.00 N ATOM 346 CA VAL A 21 2.954 -4.594 -0.804 1.00 0.00 C ATOM 347 C VAL A 21 1.469 -4.573 -0.426 1.00 0.00 C ATOM 348 O VAL A 21 0.601 -4.296 -1.259 1.00 0.00 O ATOM 349 CB VAL A 21 3.478 -3.149 -0.995 1.00 0.00 C ATOM 350 CG1 VAL A 21 2.822 -2.477 -2.191 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.268 -2.324 0.268 1.00 0.00 C ATOM 0 H VAL A 21 2.546 -5.254 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 21 3.505 -5.055 0.016 1.00 0.00 H new ATOM 0 HB VAL A 21 4.549 -3.209 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.211 -1.464 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.041 -3.047 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.743 -2.437 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.644 -1.313 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.204 -2.283 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.805 -2.785 1.097 1.00 0.00 H new ATOM 361 N PRO A 22 1.162 -4.923 0.832 1.00 0.00 N ATOM 362 CA PRO A 22 -0.186 -4.830 1.386 1.00 0.00 C ATOM 363 C PRO A 22 -0.561 -3.397 1.762 1.00 0.00 C ATOM 364 O PRO A 22 0.022 -2.798 2.675 1.00 0.00 O ATOM 365 CB PRO A 22 -0.139 -5.711 2.646 1.00 0.00 C ATOM 366 CG PRO A 22 1.227 -6.320 2.683 1.00 0.00 C ATOM 367 CD PRO A 22 2.104 -5.473 1.808 1.00 0.00 C ATOM 0 HA PRO A 22 -0.935 -5.149 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.325 -5.118 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.908 -6.483 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.610 -6.348 3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.201 -7.349 2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.602 -4.687 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.885 -6.063 1.328 1.00 0.00 H new ATOM 375 N VAL A 23 -1.527 -2.849 1.047 1.00 0.00 N ATOM 376 CA VAL A 23 -2.043 -1.522 1.333 1.00 0.00 C ATOM 377 C VAL A 23 -3.406 -1.639 2.008 1.00 0.00 C ATOM 378 O VAL A 23 -4.052 -2.688 1.928 1.00 0.00 O ATOM 379 CB VAL A 23 -2.179 -0.673 0.051 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.832 -0.523 -0.637 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.196 -1.284 -0.899 1.00 0.00 C ATOM 0 H VAL A 23 -1.975 -3.309 0.254 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.335 -1.024 1.995 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.533 0.317 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.949 0.079 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.131 -0.032 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.449 -1.508 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.274 -0.667 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.877 -2.289 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.168 -1.335 -0.408 1.00 0.00 H new ATOM 391 N LYS A 24 -3.842 -0.582 2.676 1.00 0.00 N ATOM 392 CA LYS A 24 -5.134 -0.595 3.343 1.00 0.00 C ATOM 393 C LYS A 24 -5.708 0.811 3.460 1.00 0.00 C ATOM 394 O LYS A 24 -5.093 1.792 3.047 1.00 0.00 O ATOM 395 CB LYS A 24 -5.020 -1.229 4.736 1.00 0.00 C ATOM 396 CG LYS A 24 -4.143 -0.447 5.703 1.00 0.00 C ATOM 397 CD LYS A 24 -4.010 -1.158 7.044 1.00 0.00 C ATOM 398 CE LYS A 24 -5.332 -1.215 7.801 1.00 0.00 C ATOM 399 NZ LYS A 24 -5.769 0.127 8.279 1.00 0.00 N ATOM 0 H LYS A 24 -3.323 0.291 2.770 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.811 -1.195 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.018 -1.324 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.620 -2.238 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.154 -0.307 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.567 0.545 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.643 -2.171 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.267 -0.644 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.101 -1.636 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.231 -1.887 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.307 0.022 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.934 0.723 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.371 0.573 7.558 1.00 0.00 H new ATOM 413 N SER A 25 -6.895 0.892 4.032 1.00 0.00 N ATOM 414 CA SER A 25 -7.541 2.160 4.310 1.00 0.00 C ATOM 415 C SER A 25 -7.539 2.391 5.812 1.00 0.00 C ATOM 416 O SER A 25 -7.582 1.439 6.586 1.00 0.00 O ATOM 417 CB SER A 25 -8.976 2.132 3.785 1.00 0.00 C ATOM 418 OG SER A 25 -9.002 1.747 2.422 1.00 0.00 O ATOM 0 H SER A 25 -7.439 0.078 4.317 1.00 0.00 H new ATOM 0 HA SER A 25 -7.004 2.969 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.571 1.436 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.430 3.117 3.899 1.00 0.00 H new ATOM 0 HG SER A 25 -9.769 2.166 1.978 1.00 0.00 H new ATOM 424 N ASN A 26 -7.442 3.639 6.231 1.00 0.00 N ATOM 425 CA ASN A 26 -7.545 3.954 7.654 1.00 0.00 C ATOM 426 C ASN A 26 -8.996 4.246 7.999 1.00 0.00 C ATOM 427 O ASN A 26 -9.350 4.461 9.155 1.00 0.00 O ATOM 428 CB ASN A 26 -6.660 5.149 8.033 1.00 0.00 C ATOM 429 CG ASN A 26 -7.247 6.485 7.609 1.00 0.00 C ATOM 430 OD1 ASN A 26 -7.998 7.116 8.357 1.00 0.00 O ATOM 431 ND2 ASN A 26 -6.904 6.932 6.416 1.00 0.00 N ATOM 0 H ASN A 26 -7.294 4.444 5.622 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.195 3.093 8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.507 5.152 9.112 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.679 5.027 7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.262 7.828 6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.280 6.382 5.825 1.00 0.00 H new ATOM 438 N LYS A 27 -9.829 4.236 6.972 1.00 0.00 N ATOM 439 CA LYS A 27 -11.231 4.573 7.109 1.00 0.00 C ATOM 440 C LYS A 27 -12.080 3.474 6.481 1.00 0.00 C ATOM 441 O LYS A 27 -11.809 3.052 5.357 1.00 0.00 O ATOM 442 CB LYS A 27 -11.481 5.927 6.436 1.00 0.00 C ATOM 443 CG LYS A 27 -12.864 6.515 6.669 1.00 0.00 C ATOM 444 CD LYS A 27 -12.925 7.960 6.196 1.00 0.00 C ATOM 445 CE LYS A 27 -11.928 8.827 6.952 1.00 0.00 C ATOM 446 NZ LYS A 27 -11.845 10.204 6.401 1.00 0.00 N ATOM 0 H LYS A 27 -9.550 3.994 6.021 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.507 4.651 8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.736 6.637 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.326 5.817 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.610 5.923 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.112 6.464 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.714 8.005 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.933 8.350 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.215 8.875 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.943 8.362 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.438 10.840 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.241 10.203 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.798 10.534 6.146 1.00 0.00 H new ATOM 460 N PRO A 28 -13.086 2.970 7.214 1.00 0.00 N ATOM 461 CA PRO A 28 -13.955 1.886 6.739 1.00 0.00 C ATOM 462 C PRO A 28 -14.667 2.239 5.437 1.00 0.00 C ATOM 463 O PRO A 28 -15.244 3.318 5.303 1.00 0.00 O ATOM 464 CB PRO A 28 -14.971 1.712 7.875 1.00 0.00 C ATOM 465 CG PRO A 28 -14.302 2.284 9.075 1.00 0.00 C ATOM 466 CD PRO A 28 -13.456 3.414 8.568 1.00 0.00 C ATOM 0 HA PRO A 28 -13.388 0.982 6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.903 2.233 7.656 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.221 0.662 8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.035 2.638 9.800 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.692 1.534 9.578 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.008 4.354 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.578 3.573 9.194 1.00 0.00 H new ATOM 474 N VAL A 29 -14.624 1.320 4.484 1.00 0.00 N ATOM 475 CA VAL A 29 -15.229 1.542 3.179 1.00 0.00 C ATOM 476 C VAL A 29 -16.344 0.535 2.924 1.00 0.00 C ATOM 477 O VAL A 29 -16.644 -0.304 3.775 1.00 0.00 O ATOM 478 CB VAL A 29 -14.191 1.430 2.040 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.026 2.383 2.265 1.00 0.00 C ATOM 480 CG2 VAL A 29 -13.705 -0.001 1.895 1.00 0.00 C ATOM 0 H VAL A 29 -14.175 0.410 4.590 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.635 2.553 3.188 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.679 1.718 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.311 2.283 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -13.396 3.408 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.536 2.142 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.975 -0.057 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.241 -0.324 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.550 -0.651 1.666 1.00 0.00 H new ATOM 490 N GLU A 30 -16.951 0.622 1.752 1.00 0.00 N ATOM 491 CA GLU A 30 -17.976 -0.324 1.350 1.00 0.00 C ATOM 492 C GLU A 30 -17.338 -1.388 0.457 1.00 0.00 C ATOM 493 O GLU A 30 -16.562 -1.066 -0.445 1.00 0.00 O ATOM 494 CB GLU A 30 -19.103 0.418 0.620 1.00 0.00 C ATOM 495 CG GLU A 30 -20.478 -0.202 0.811 1.00 0.00 C ATOM 496 CD GLU A 30 -20.624 -1.541 0.132 1.00 0.00 C ATOM 497 OE1 GLU A 30 -20.932 -1.563 -1.070 1.00 0.00 O ATOM 498 OE2 GLU A 30 -20.424 -2.572 0.803 1.00 0.00 O ATOM 0 H GLU A 30 -16.749 1.343 1.059 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.409 -0.813 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.130 1.450 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.874 0.447 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.672 -0.319 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -21.234 0.480 0.422 1.00 0.00 H new ATOM 505 N ILE A 31 -17.672 -2.646 0.704 1.00 0.00 N ATOM 506 CA ILE A 31 -16.959 -3.765 0.099 1.00 0.00 C ATOM 507 C ILE A 31 -17.344 -3.997 -1.358 1.00 0.00 C ATOM 508 O ILE A 31 -16.599 -4.634 -2.100 1.00 0.00 O ATOM 509 CB ILE A 31 -17.169 -5.069 0.893 1.00 0.00 C ATOM 510 CG1 ILE A 31 -18.661 -5.355 1.081 1.00 0.00 C ATOM 511 CG2 ILE A 31 -16.460 -4.981 2.236 1.00 0.00 C ATOM 512 CD1 ILE A 31 -18.948 -6.672 1.766 1.00 0.00 C ATOM 0 H ILE A 31 -18.436 -2.920 1.322 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.905 -3.488 0.130 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.740 -5.896 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.105 -4.548 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.148 -5.349 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.614 -5.907 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.393 -4.828 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.864 -4.145 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.026 -6.804 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.534 -7.488 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.491 -6.675 2.756 1.00 0.00 H new ATOM 524 N SER A 32 -18.492 -3.483 -1.784 1.00 0.00 N ATOM 525 CA SER A 32 -18.900 -3.637 -3.175 1.00 0.00 C ATOM 526 C SER A 32 -18.043 -2.753 -4.080 1.00 0.00 C ATOM 527 O SER A 32 -17.991 -2.958 -5.293 1.00 0.00 O ATOM 528 CB SER A 32 -20.385 -3.304 -3.352 1.00 0.00 C ATOM 529 OG SER A 32 -20.820 -3.554 -4.681 1.00 0.00 O ATOM 0 H SER A 32 -19.147 -2.965 -1.198 1.00 0.00 H new ATOM 0 HA SER A 32 -18.752 -4.679 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.978 -3.898 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.556 -2.257 -3.103 1.00 0.00 H new ATOM 0 HG SER A 32 -21.771 -3.333 -4.761 1.00 0.00 H new ATOM 535 N LYS A 33 -17.356 -1.783 -3.483 1.00 0.00 N ATOM 536 CA LYS A 33 -16.485 -0.890 -4.238 1.00 0.00 C ATOM 537 C LYS A 33 -15.047 -1.403 -4.237 1.00 0.00 C ATOM 538 O LYS A 33 -14.162 -0.783 -4.828 1.00 0.00 O ATOM 539 CB LYS A 33 -16.540 0.532 -3.665 1.00 0.00 C ATOM 540 CG LYS A 33 -17.914 1.178 -3.767 1.00 0.00 C ATOM 541 CD LYS A 33 -17.917 2.613 -3.255 1.00 0.00 C ATOM 542 CE LYS A 33 -17.013 3.516 -4.086 1.00 0.00 C ATOM 543 NZ LYS A 33 -17.168 4.947 -3.709 1.00 0.00 N ATOM 0 H LYS A 33 -17.386 -1.596 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.841 -0.865 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.238 0.505 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.815 1.154 -4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.243 1.164 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.633 0.590 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.935 3.003 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.589 2.628 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.974 3.215 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.246 3.391 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.538 5.531 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.154 5.241 -3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.921 5.071 -2.706 1.00 0.00 H new ATOM 557 N TRP A 34 -14.826 -2.547 -3.588 1.00 0.00 N ATOM 558 CA TRP A 34 -13.499 -3.161 -3.512 1.00 0.00 C ATOM 559 C TRP A 34 -12.910 -3.345 -4.907 1.00 0.00 C ATOM 560 O TRP A 34 -11.733 -3.067 -5.138 1.00 0.00 O ATOM 561 CB TRP A 34 -13.586 -4.518 -2.797 1.00 0.00 C ATOM 562 CG TRP A 34 -12.283 -5.262 -2.732 1.00 0.00 C ATOM 563 CD1 TRP A 34 -11.323 -5.156 -1.767 1.00 0.00 C ATOM 564 CD2 TRP A 34 -11.804 -6.241 -3.665 1.00 0.00 C ATOM 565 NE1 TRP A 34 -10.272 -5.992 -2.053 1.00 0.00 N ATOM 566 CE2 TRP A 34 -10.545 -6.671 -3.210 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.317 -6.792 -4.845 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -9.790 -7.619 -3.892 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.567 -7.738 -5.519 1.00 0.00 C ATOM 570 CH2 TRP A 34 -10.317 -8.143 -5.039 1.00 0.00 C ATOM 0 H TRP A 34 -15.555 -3.071 -3.104 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.845 -2.499 -2.944 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.952 -4.359 -1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.322 -5.139 -3.308 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.382 -4.509 -0.904 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.425 -6.091 -1.494 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -13.281 -6.484 -5.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.822 -7.930 -3.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -11.952 -8.171 -6.430 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.756 -8.886 -5.587 1.00 0.00 H new ATOM 581 N ILE A 35 -13.749 -3.801 -5.829 1.00 0.00 N ATOM 582 CA ILE A 35 -13.332 -4.062 -7.200 1.00 0.00 C ATOM 583 C ILE A 35 -12.817 -2.791 -7.867 1.00 0.00 C ATOM 584 O ILE A 35 -11.764 -2.793 -8.508 1.00 0.00 O ATOM 585 CB ILE A 35 -14.503 -4.625 -8.033 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.071 -5.884 -7.371 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.051 -4.925 -9.455 1.00 0.00 C ATOM 588 CD1 ILE A 35 -16.317 -6.420 -8.043 1.00 0.00 C ATOM 0 H ILE A 35 -14.733 -3.999 -5.648 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.529 -4.798 -7.159 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.290 -3.873 -8.076 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.306 -6.661 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.299 -5.663 -6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.890 -5.321 -10.027 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.692 -4.009 -9.924 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.247 -5.660 -9.434 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.659 -7.311 -7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.099 -5.661 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.091 -6.674 -9.079 1.00 0.00 H new ATOM 600 N ASP A 36 -13.552 -1.701 -7.682 1.00 0.00 N ATOM 601 CA ASP A 36 -13.240 -0.441 -8.344 1.00 0.00 C ATOM 602 C ASP A 36 -11.925 0.128 -7.810 1.00 0.00 C ATOM 603 O ASP A 36 -11.075 0.572 -8.580 1.00 0.00 O ATOM 604 CB ASP A 36 -14.384 0.556 -8.143 1.00 0.00 C ATOM 605 CG ASP A 36 -14.459 1.595 -9.246 1.00 0.00 C ATOM 606 OD1 ASP A 36 -14.378 1.213 -10.435 1.00 0.00 O ATOM 607 OD2 ASP A 36 -14.646 2.787 -8.935 1.00 0.00 O ATOM 0 H ASP A 36 -14.372 -1.665 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.124 -0.622 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.328 0.014 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.257 1.059 -7.184 1.00 0.00 H new ATOM 612 N PHE A 37 -11.757 0.079 -6.488 1.00 0.00 N ATOM 613 CA PHE A 37 -10.517 0.522 -5.848 1.00 0.00 C ATOM 614 C PHE A 37 -9.328 -0.311 -6.319 1.00 0.00 C ATOM 615 O PHE A 37 -8.260 0.226 -6.615 1.00 0.00 O ATOM 616 CB PHE A 37 -10.622 0.428 -4.323 1.00 0.00 C ATOM 617 CG PHE A 37 -11.373 1.558 -3.675 1.00 0.00 C ATOM 618 CD1 PHE A 37 -10.704 2.704 -3.276 1.00 0.00 C ATOM 619 CD2 PHE A 37 -12.735 1.469 -3.442 1.00 0.00 C ATOM 620 CE1 PHE A 37 -11.380 3.742 -2.667 1.00 0.00 C ATOM 621 CE2 PHE A 37 -13.417 2.506 -2.833 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.737 3.642 -2.442 1.00 0.00 C ATOM 0 H PHE A 37 -12.465 -0.263 -5.838 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.361 1.562 -6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.110 -0.511 -4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.616 0.391 -3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.640 2.786 -3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.271 0.580 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.847 4.632 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.481 2.427 -2.663 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.267 4.451 -1.961 1.00 0.00 H new ATOM 632 N SER A 38 -9.525 -1.624 -6.392 1.00 0.00 N ATOM 633 CA SER A 38 -8.461 -2.540 -6.786 1.00 0.00 C ATOM 634 C SER A 38 -7.996 -2.266 -8.215 1.00 0.00 C ATOM 635 O SER A 38 -6.806 -2.368 -8.519 1.00 0.00 O ATOM 636 CB SER A 38 -8.929 -3.989 -6.650 1.00 0.00 C ATOM 637 OG SER A 38 -9.307 -4.274 -5.314 1.00 0.00 O ATOM 0 H SER A 38 -10.414 -2.078 -6.183 1.00 0.00 H new ATOM 0 HA SER A 38 -7.614 -2.378 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.773 -4.167 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.131 -4.664 -6.958 1.00 0.00 H new ATOM 0 HG SER A 38 -10.129 -3.787 -5.096 1.00 0.00 H new ATOM 643 N ASN A 39 -8.931 -1.905 -9.083 1.00 0.00 N ATOM 644 CA ASN A 39 -8.601 -1.591 -10.467 1.00 0.00 C ATOM 645 C ASN A 39 -7.767 -0.316 -10.547 1.00 0.00 C ATOM 646 O ASN A 39 -6.861 -0.207 -11.374 1.00 0.00 O ATOM 647 CB ASN A 39 -9.868 -1.460 -11.317 1.00 0.00 C ATOM 648 CG ASN A 39 -10.532 -2.799 -11.586 1.00 0.00 C ATOM 649 OD1 ASN A 39 -9.870 -3.836 -11.653 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.842 -2.784 -11.764 1.00 0.00 N ATOM 0 H ASN A 39 -9.922 -1.822 -8.855 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.009 -2.415 -10.866 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.575 -0.803 -10.810 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.617 -0.986 -12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.339 -3.652 -11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.355 -1.905 -11.701 1.00 0.00 H new ATOM 657 N VAL A 40 -8.062 0.640 -9.673 1.00 0.00 N ATOM 658 CA VAL A 40 -7.274 1.863 -9.590 1.00 0.00 C ATOM 659 C VAL A 40 -5.870 1.544 -9.081 1.00 0.00 C ATOM 660 O VAL A 40 -4.879 2.073 -9.582 1.00 0.00 O ATOM 661 CB VAL A 40 -7.933 2.916 -8.668 1.00 0.00 C ATOM 662 CG1 VAL A 40 -7.095 4.184 -8.598 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.341 3.241 -9.141 1.00 0.00 C ATOM 0 H VAL A 40 -8.839 0.592 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.220 2.286 -10.593 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.992 2.490 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.582 4.906 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.107 3.946 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.995 4.609 -9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.785 3.983 -8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.302 3.638 -10.155 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.947 2.335 -9.129 1.00 0.00 H new ATOM 673 N LEU A 41 -5.799 0.655 -8.095 1.00 0.00 N ATOM 674 CA LEU A 41 -4.524 0.228 -7.532 1.00 0.00 C ATOM 675 C LEU A 41 -3.659 -0.469 -8.572 1.00 0.00 C ATOM 676 O LEU A 41 -2.452 -0.269 -8.610 1.00 0.00 O ATOM 677 CB LEU A 41 -4.741 -0.716 -6.353 1.00 0.00 C ATOM 678 CG LEU A 41 -5.304 -0.079 -5.085 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.409 -1.121 -3.986 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.429 1.081 -4.633 1.00 0.00 C ATOM 0 H LEU A 41 -6.614 0.215 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.010 1.127 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.417 -1.511 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.788 -1.186 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.299 0.309 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.811 -0.659 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.071 -1.925 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.420 -1.528 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.847 1.521 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.422 0.719 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.390 1.835 -5.419 1.00 0.00 H new ATOM 692 N SER A 42 -4.284 -1.276 -9.421 1.00 0.00 N ATOM 693 CA SER A 42 -3.557 -2.032 -10.438 1.00 0.00 C ATOM 694 C SER A 42 -2.974 -1.086 -11.492 1.00 0.00 C ATOM 695 O SER A 42 -2.133 -1.475 -12.305 1.00 0.00 O ATOM 696 CB SER A 42 -4.489 -3.061 -11.093 1.00 0.00 C ATOM 697 OG SER A 42 -3.759 -4.061 -11.788 1.00 0.00 O ATOM 0 H SER A 42 -5.293 -1.425 -9.427 1.00 0.00 H new ATOM 0 HA SER A 42 -2.732 -2.561 -9.961 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.110 -3.528 -10.329 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.162 -2.554 -11.785 1.00 0.00 H new ATOM 0 HG SER A 42 -2.944 -3.669 -12.164 1.00 0.00 H new ATOM 703 N ARG A 43 -3.432 0.158 -11.465 1.00 0.00 N ATOM 704 CA ARG A 43 -2.945 1.193 -12.366 1.00 0.00 C ATOM 705 C ARG A 43 -1.836 2.007 -11.690 1.00 0.00 C ATOM 706 O ARG A 43 -1.147 2.805 -12.327 1.00 0.00 O ATOM 707 CB ARG A 43 -4.121 2.092 -12.776 1.00 0.00 C ATOM 708 CG ARG A 43 -3.735 3.343 -13.547 1.00 0.00 C ATOM 709 CD ARG A 43 -4.969 4.107 -13.991 1.00 0.00 C ATOM 710 NE ARG A 43 -4.652 5.449 -14.478 1.00 0.00 N ATOM 711 CZ ARG A 43 -4.745 5.821 -15.753 1.00 0.00 C ATOM 712 NH1 ARG A 43 -5.019 4.929 -16.698 1.00 0.00 N ATOM 713 NH2 ARG A 43 -4.532 7.087 -16.088 1.00 0.00 N ATOM 0 H ARG A 43 -4.152 0.478 -10.817 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.520 0.736 -13.260 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.811 1.507 -13.384 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.662 2.390 -11.878 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.112 3.982 -12.922 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.139 3.069 -14.418 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.474 3.548 -14.779 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.666 4.182 -13.156 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.340 6.143 -13.799 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.160 3.950 -16.450 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.088 5.223 -17.672 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.298 7.772 -15.370 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.602 7.375 -17.064 1.00 0.00 H new ATOM 727 N LEU A 44 -1.650 1.776 -10.399 1.00 0.00 N ATOM 728 CA LEU A 44 -0.677 2.526 -9.618 1.00 0.00 C ATOM 729 C LEU A 44 0.461 1.636 -9.146 1.00 0.00 C ATOM 730 O LEU A 44 0.245 0.544 -8.629 1.00 0.00 O ATOM 731 CB LEU A 44 -1.353 3.175 -8.410 1.00 0.00 C ATOM 732 CG LEU A 44 -2.411 4.227 -8.741 1.00 0.00 C ATOM 733 CD1 LEU A 44 -3.137 4.661 -7.479 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.778 5.429 -9.431 1.00 0.00 C ATOM 0 H LEU A 44 -2.162 1.072 -9.868 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.263 3.300 -10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.818 2.392 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.585 3.638 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.135 3.783 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.887 5.410 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.624 3.798 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.421 5.086 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.549 6.166 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.032 5.875 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.300 5.107 -10.356 1.00 0.00 H new ATOM 746 N TYR A 45 1.676 2.117 -9.329 1.00 0.00 N ATOM 747 CA TYR A 45 2.850 1.437 -8.812 1.00 0.00 C ATOM 748 C TYR A 45 3.405 2.201 -7.624 1.00 0.00 C ATOM 749 O TYR A 45 4.035 3.250 -7.777 1.00 0.00 O ATOM 750 CB TYR A 45 3.916 1.264 -9.897 1.00 0.00 C ATOM 751 CG TYR A 45 3.902 -0.108 -10.535 1.00 0.00 C ATOM 752 CD1 TYR A 45 3.096 -0.391 -11.633 1.00 0.00 C ATOM 753 CD2 TYR A 45 4.698 -1.127 -10.027 1.00 0.00 C ATOM 754 CE1 TYR A 45 3.086 -1.653 -12.204 1.00 0.00 C ATOM 755 CE2 TYR A 45 4.695 -2.385 -10.593 1.00 0.00 C ATOM 756 CZ TYR A 45 3.889 -2.644 -11.680 1.00 0.00 C ATOM 757 OH TYR A 45 3.887 -3.904 -12.240 1.00 0.00 O ATOM 0 H TYR A 45 1.877 2.980 -9.834 1.00 0.00 H new ATOM 0 HA TYR A 45 2.556 0.440 -8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.764 2.018 -10.669 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.899 1.445 -9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.469 0.385 -12.046 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.330 -0.931 -9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.453 -1.860 -13.054 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.322 -3.164 -10.186 1.00 0.00 H new ATOM 0 HH TYR A 45 4.809 -4.188 -12.409 1.00 0.00 H new ATOM 767 N VAL A 46 3.131 1.686 -6.438 1.00 0.00 N ATOM 768 CA VAL A 46 3.552 2.329 -5.206 1.00 0.00 C ATOM 769 C VAL A 46 4.820 1.675 -4.677 1.00 0.00 C ATOM 770 O VAL A 46 5.116 0.534 -5.023 1.00 0.00 O ATOM 771 CB VAL A 46 2.443 2.260 -4.135 1.00 0.00 C ATOM 772 CG1 VAL A 46 1.152 2.857 -4.671 1.00 0.00 C ATOM 773 CG2 VAL A 46 2.216 0.829 -3.671 1.00 0.00 C ATOM 0 H VAL A 46 2.614 0.817 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 46 3.752 3.377 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 46 2.768 2.844 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.379 2.801 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.319 3.899 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.831 2.299 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.429 0.812 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.918 0.214 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.138 0.435 -3.243 1.00 0.00 H new ATOM 783 N GLY A 47 5.569 2.390 -3.854 1.00 0.00 N ATOM 784 CA GLY A 47 6.793 1.837 -3.317 1.00 0.00 C ATOM 785 C GLY A 47 7.598 2.849 -2.536 1.00 0.00 C ATOM 786 O GLY A 47 7.031 3.773 -1.948 1.00 0.00 O ATOM 0 H GLY A 47 5.353 3.339 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.552 0.993 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.401 1.449 -4.134 1.00 0.00 H new ATOM 790 N VAL A 48 8.922 2.681 -2.565 1.00 0.00 N ATOM 791 CA VAL A 48 9.849 3.511 -1.790 1.00 0.00 C ATOM 792 C VAL A 48 9.772 3.166 -0.301 1.00 0.00 C ATOM 793 O VAL A 48 8.688 3.145 0.281 1.00 0.00 O ATOM 794 CB VAL A 48 9.594 5.025 -1.994 1.00 0.00 C ATOM 795 CG1 VAL A 48 10.527 5.858 -1.131 1.00 0.00 C ATOM 796 CG2 VAL A 48 9.753 5.401 -3.460 1.00 0.00 C ATOM 0 H VAL A 48 9.383 1.965 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 48 10.851 3.291 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 48 8.569 5.236 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.326 6.917 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.364 5.616 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.561 5.640 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.570 6.468 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.765 5.166 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.037 4.838 -4.060 1.00 0.00 H new ATOM 806 N PRO A 49 10.929 2.851 0.317 1.00 0.00 N ATOM 807 CA PRO A 49 11.024 2.537 1.752 1.00 0.00 C ATOM 808 C PRO A 49 10.197 3.478 2.627 1.00 0.00 C ATOM 809 O PRO A 49 10.510 4.665 2.755 1.00 0.00 O ATOM 810 CB PRO A 49 12.513 2.707 2.038 1.00 0.00 C ATOM 811 CG PRO A 49 13.179 2.326 0.762 1.00 0.00 C ATOM 812 CD PRO A 49 12.247 2.758 -0.344 1.00 0.00 C ATOM 0 HA PRO A 49 10.634 1.545 1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.749 3.733 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.835 2.069 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.148 2.815 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.359 1.252 0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.549 3.715 -0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.234 2.036 -1.160 1.00 0.00 H new ATOM 820 N THR A 50 9.137 2.939 3.208 1.00 0.00 N ATOM 821 CA THR A 50 8.225 3.710 4.032 1.00 0.00 C ATOM 822 C THR A 50 7.797 2.905 5.260 1.00 0.00 C ATOM 823 O THR A 50 8.070 1.704 5.345 1.00 0.00 O ATOM 824 CB THR A 50 6.986 4.122 3.216 1.00 0.00 C ATOM 825 OG1 THR A 50 6.643 3.076 2.297 1.00 0.00 O ATOM 826 CG2 THR A 50 7.231 5.417 2.452 1.00 0.00 C ATOM 0 H THR A 50 8.886 1.954 3.120 1.00 0.00 H new ATOM 0 HA THR A 50 8.743 4.608 4.367 1.00 0.00 H new ATOM 0 HB THR A 50 6.162 4.289 3.910 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.278 3.075 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.337 5.680 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.463 6.216 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.068 5.282 1.767 1.00 0.00 H new ATOM 834 N LYS A 51 7.137 3.563 6.207 1.00 0.00 N ATOM 835 CA LYS A 51 6.713 2.904 7.437 1.00 0.00 C ATOM 836 C LYS A 51 5.265 2.434 7.326 1.00 0.00 C ATOM 837 O LYS A 51 4.576 2.742 6.354 1.00 0.00 O ATOM 838 CB LYS A 51 6.839 3.853 8.638 1.00 0.00 C ATOM 839 CG LYS A 51 5.814 4.981 8.631 1.00 0.00 C ATOM 840 CD LYS A 51 5.764 5.721 9.960 1.00 0.00 C ATOM 841 CE LYS A 51 7.000 6.578 10.192 1.00 0.00 C ATOM 842 NZ LYS A 51 7.140 7.637 9.158 1.00 0.00 N ATOM 0 H LYS A 51 6.885 4.549 6.147 1.00 0.00 H new ATOM 0 HA LYS A 51 7.364 2.043 7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.729 3.279 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.841 4.283 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.056 5.684 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.828 4.573 8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.876 6.353 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.668 5.000 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.943 7.038 11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.887 5.945 10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.790 8.373 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.519 7.220 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.209 8.059 8.965 1.00 0.00 H new ATOM 856 N SER A 52 4.805 1.702 8.334 1.00 0.00 N ATOM 857 CA SER A 52 3.418 1.275 8.399 1.00 0.00 C ATOM 858 C SER A 52 2.505 2.469 8.634 1.00 0.00 C ATOM 859 O SER A 52 2.633 3.175 9.636 1.00 0.00 O ATOM 860 CB SER A 52 3.246 0.237 9.508 1.00 0.00 C ATOM 861 OG SER A 52 4.141 0.494 10.579 1.00 0.00 O ATOM 0 H SER A 52 5.378 1.392 9.119 1.00 0.00 H new ATOM 0 HA SER A 52 3.142 0.820 7.448 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.219 0.255 9.873 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.425 -0.762 9.109 1.00 0.00 H new ATOM 0 HG SER A 52 4.015 -0.180 11.279 1.00 0.00 H new ATOM 867 N GLY A 53 1.599 2.699 7.701 1.00 0.00 N ATOM 868 CA GLY A 53 0.709 3.830 7.791 1.00 0.00 C ATOM 869 C GLY A 53 1.150 4.957 6.886 1.00 0.00 C ATOM 870 O GLY A 53 0.937 6.131 7.191 1.00 0.00 O ATOM 0 H GLY A 53 1.464 2.115 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.301 3.521 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.671 4.183 8.821 1.00 0.00 H new ATOM 874 N ASN A 54 1.785 4.605 5.776 1.00 0.00 N ATOM 875 CA ASN A 54 2.228 5.610 4.812 1.00 0.00 C ATOM 876 C ASN A 54 1.128 5.883 3.797 1.00 0.00 C ATOM 877 O ASN A 54 0.541 4.956 3.244 1.00 0.00 O ATOM 878 CB ASN A 54 3.526 5.193 4.099 1.00 0.00 C ATOM 879 CG ASN A 54 3.387 3.947 3.241 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.736 2.801 3.799 1.00 0.00 O flip ATOM 881 ND2 ASN A 54 2.991 4.016 2.078 1.00 0.00 N flip ATOM 0 H ASN A 54 2.004 3.642 5.520 1.00 0.00 H new ATOM 0 HA ASN A 54 2.442 6.525 5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.865 6.018 3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.300 5.022 4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.730 4.919 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.924 3.171 1.511 1.00 0.00 H new ATOM 888 N VAL A 55 0.844 7.154 3.563 1.00 0.00 N ATOM 889 CA VAL A 55 -0.255 7.535 2.690 1.00 0.00 C ATOM 890 C VAL A 55 0.194 7.567 1.236 1.00 0.00 C ATOM 891 O VAL A 55 1.190 8.210 0.901 1.00 0.00 O ATOM 892 CB VAL A 55 -0.829 8.920 3.065 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.006 9.281 2.170 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.244 8.953 4.526 1.00 0.00 C ATOM 0 H VAL A 55 1.358 7.938 3.964 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.034 6.784 2.819 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.044 9.661 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.392 10.260 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.678 9.308 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.792 8.534 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.645 9.937 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.008 8.196 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.377 8.750 5.155 1.00 0.00 H new ATOM 904 N VAL A 56 -0.538 6.866 0.384 1.00 0.00 N ATOM 905 CA VAL A 56 -0.278 6.886 -1.045 1.00 0.00 C ATOM 906 C VAL A 56 -1.155 7.928 -1.725 1.00 0.00 C ATOM 907 O VAL A 56 -0.697 9.013 -2.081 1.00 0.00 O ATOM 908 CB VAL A 56 -0.545 5.512 -1.692 1.00 0.00 C ATOM 909 CG1 VAL A 56 -0.233 5.550 -3.179 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.268 4.429 -1.006 1.00 0.00 C ATOM 0 H VAL A 56 -1.321 6.273 0.661 1.00 0.00 H new ATOM 0 HA VAL A 56 0.775 7.136 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.602 5.278 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.428 4.571 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.862 6.296 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.815 5.810 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.065 3.468 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.330 4.660 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.006 4.381 0.048 1.00 0.00 H new ATOM 920 N CYS A 57 -2.426 7.596 -1.885 1.00 0.00 N ATOM 921 CA CYS A 57 -3.375 8.493 -2.513 1.00 0.00 C ATOM 922 C CYS A 57 -4.444 8.909 -1.514 1.00 0.00 C ATOM 923 O CYS A 57 -5.385 8.159 -1.237 1.00 0.00 O ATOM 924 CB CYS A 57 -4.017 7.830 -3.734 1.00 0.00 C ATOM 925 SG CYS A 57 -2.832 7.295 -4.990 1.00 0.00 S ATOM 0 H CYS A 57 -2.823 6.706 -1.586 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.841 9.383 -2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.595 6.967 -3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.719 8.530 -4.187 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.470 6.941 -6.066 1.00 0.00 H new ATOM 931 N LYS A 58 -4.269 10.089 -0.944 1.00 0.00 N ATOM 932 CA LYS A 58 -5.253 10.644 -0.034 1.00 0.00 C ATOM 933 C LYS A 58 -6.404 11.226 -0.837 1.00 0.00 C ATOM 934 O LYS A 58 -6.177 12.005 -1.767 1.00 0.00 O ATOM 935 CB LYS A 58 -4.621 11.722 0.850 1.00 0.00 C ATOM 936 CG LYS A 58 -5.597 12.335 1.839 1.00 0.00 C ATOM 937 CD LYS A 58 -4.914 13.343 2.745 1.00 0.00 C ATOM 938 CE LYS A 58 -5.885 13.918 3.765 1.00 0.00 C ATOM 939 NZ LYS A 58 -5.235 14.919 4.648 1.00 0.00 N ATOM 0 H LYS A 58 -3.453 10.681 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.628 9.853 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.784 11.289 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.214 12.510 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.407 12.822 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.046 11.547 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.082 12.865 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.495 14.150 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.723 14.382 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.294 13.110 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.931 15.286 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.451 14.470 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.867 15.703 4.072 1.00 0.00 H new ATOM 953 N ASN A 59 -7.631 10.828 -0.492 1.00 0.00 N ATOM 954 CA ASN A 59 -8.824 11.266 -1.220 1.00 0.00 C ATOM 955 C ASN A 59 -8.754 10.740 -2.659 1.00 0.00 C ATOM 956 O ASN A 59 -9.118 11.426 -3.612 1.00 0.00 O ATOM 957 CB ASN A 59 -8.931 12.803 -1.195 1.00 0.00 C ATOM 958 CG ASN A 59 -10.327 13.313 -1.507 1.00 0.00 C ATOM 959 OD1 ASN A 59 -10.690 13.514 -2.662 1.00 0.00 O ATOM 960 ND2 ASN A 59 -11.112 13.559 -0.469 1.00 0.00 N ATOM 0 H ASN A 59 -7.824 10.201 0.289 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.717 10.865 -0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.631 13.165 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.229 13.221 -1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.052 13.928 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.777 13.380 0.478 1.00 0.00 H new ATOM 967 N ILE A 60 -8.322 9.480 -2.782 1.00 0.00 N ATOM 968 CA ILE A 60 -8.035 8.853 -4.077 1.00 0.00 C ATOM 969 C ILE A 60 -9.215 8.961 -5.044 1.00 0.00 C ATOM 970 O ILE A 60 -9.062 9.406 -6.181 1.00 0.00 O ATOM 971 CB ILE A 60 -7.634 7.365 -3.889 1.00 0.00 C ATOM 972 CG1 ILE A 60 -7.512 6.659 -5.244 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.620 6.638 -2.983 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.087 5.207 -5.142 1.00 0.00 C ATOM 0 H ILE A 60 -8.161 8.865 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.198 9.397 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.658 7.341 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.472 6.712 -5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.791 7.197 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.312 5.598 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.638 7.119 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.616 6.676 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.023 4.776 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.113 5.146 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.820 4.654 -4.554 1.00 0.00 H new ATOM 986 N MET A 61 -10.390 8.575 -4.582 1.00 0.00 N ATOM 987 CA MET A 61 -11.580 8.604 -5.415 1.00 0.00 C ATOM 988 C MET A 61 -12.571 9.615 -4.869 1.00 0.00 C ATOM 989 O MET A 61 -13.781 9.448 -5.011 1.00 0.00 O ATOM 990 CB MET A 61 -12.212 7.214 -5.477 1.00 0.00 C ATOM 991 CG MET A 61 -11.319 6.170 -6.126 1.00 0.00 C ATOM 992 SD MET A 61 -12.061 4.528 -6.115 1.00 0.00 S ATOM 993 CE MET A 61 -13.585 4.850 -6.998 1.00 0.00 C ATOM 0 H MET A 61 -10.547 8.237 -3.633 1.00 0.00 H new ATOM 0 HA MET A 61 -11.300 8.902 -6.425 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.460 6.891 -4.466 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.149 7.274 -6.031 1.00 0.00 H new ATOM 0 HG2 MET A 61 -11.109 6.464 -7.154 1.00 0.00 H new ATOM 0 HG3 MET A 61 -10.363 6.137 -5.603 1.00 0.00 H new ATOM 0 HE1 MET A 61 -14.194 3.946 -7.015 1.00 0.00 H new ATOM 0 HE2 MET A 61 -14.134 5.648 -6.498 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.356 5.152 -8.020 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.039 10.670 -4.246 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.858 11.729 -3.648 1.00 0.00 C ATOM 1005 C ASN A 62 -13.709 11.166 -2.512 1.00 0.00 C ATOM 1006 O ASN A 62 -14.732 11.734 -2.136 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.751 12.388 -4.707 1.00 0.00 C ATOM 1008 CG ASN A 62 -12.959 13.016 -5.841 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -12.641 12.358 -6.834 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -12.641 14.291 -5.706 1.00 0.00 N ATOM 0 H ASN A 62 -11.035 10.814 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.191 12.489 -3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.432 11.642 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.365 13.153 -4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.114 14.765 -6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.923 14.801 -4.869 1.00 0.00 H new ATOM 1017 N THR A 63 -13.245 10.060 -1.949 1.00 0.00 N ATOM 1018 CA THR A 63 -13.991 9.324 -0.940 1.00 0.00 C ATOM 1019 C THR A 63 -13.726 9.862 0.461 1.00 0.00 C ATOM 1020 O THR A 63 -14.512 9.650 1.380 1.00 0.00 O ATOM 1021 CB THR A 63 -13.599 7.839 -0.982 1.00 0.00 C ATOM 1022 OG1 THR A 63 -12.183 7.708 -0.784 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.974 7.224 -2.317 1.00 0.00 C ATOM 0 H THR A 63 -12.341 9.648 -2.179 1.00 0.00 H new ATOM 0 HA THR A 63 -15.051 9.445 -1.163 1.00 0.00 H new ATOM 0 HB THR A 63 -14.136 7.318 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.911 6.784 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.688 6.172 -2.326 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.050 7.309 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.454 7.749 -3.118 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.609 10.555 0.617 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.199 11.001 1.931 1.00 0.00 C ATOM 1033 C GLY A 64 -11.359 9.954 2.636 1.00 0.00 C ATOM 1034 O GLY A 64 -10.983 10.123 3.796 1.00 0.00 O ATOM 0 H GLY A 64 -11.980 10.816 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.629 11.926 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.080 11.227 2.531 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.082 8.859 1.936 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.236 7.799 2.466 1.00 0.00 C ATOM 1040 C VAL A 65 -8.777 8.050 2.111 1.00 0.00 C ATOM 1041 O VAL A 65 -8.444 8.336 0.956 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.654 6.404 1.941 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.585 5.364 2.242 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -11.968 5.972 2.559 1.00 0.00 C ATOM 0 H VAL A 65 -11.434 8.683 0.995 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.360 7.809 3.549 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.774 6.481 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.904 4.393 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.651 5.652 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.433 5.300 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.244 4.989 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.862 5.923 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.745 6.692 2.303 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.924 7.964 3.115 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.490 8.051 2.920 1.00 0.00 C ATOM 1056 C ASP A 66 -5.927 6.640 2.826 1.00 0.00 C ATOM 1057 O ASP A 66 -5.891 5.911 3.822 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.828 8.790 4.090 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.745 9.801 4.748 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -7.571 9.388 5.594 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -6.647 10.999 4.433 1.00 0.00 O ATOM 0 H ASP A 66 -8.206 7.832 4.086 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.284 8.605 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.504 8.063 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.933 9.299 3.731 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.525 6.241 1.626 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.984 4.904 1.409 1.00 0.00 C ATOM 1068 C ILE A 67 -3.561 4.823 1.938 1.00 0.00 C ATOM 1069 O ILE A 67 -2.683 5.566 1.497 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.004 4.516 -0.090 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.442 4.513 -0.621 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.350 3.154 -0.307 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.351 3.521 0.075 1.00 0.00 C ATOM 0 H ILE A 67 -5.563 6.823 0.789 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.618 4.201 1.950 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.430 5.259 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.861 5.513 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.425 4.289 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.376 2.903 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.315 3.189 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.892 2.396 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.350 3.579 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.957 2.513 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.400 3.757 1.138 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.341 3.922 2.885 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.054 3.801 3.546 1.00 0.00 C ATOM 1087 C ILE A 68 -1.530 2.373 3.475 1.00 0.00 C ATOM 1088 O ILE A 68 -2.283 1.416 3.654 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.135 4.240 5.029 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.177 3.410 5.789 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.461 5.724 5.128 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.253 3.741 7.264 1.00 0.00 C ATOM 0 H ILE A 68 -4.045 3.260 3.213 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.366 4.462 3.019 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.162 4.066 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.156 3.570 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.942 2.352 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.514 6.016 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.682 6.302 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.420 5.919 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.010 3.117 7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.285 3.554 7.729 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.519 4.791 7.388 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.247 2.230 3.203 1.00 0.00 N ATOM 1105 CA CYS A 69 0.386 0.921 3.222 1.00 0.00 C ATOM 1106 C CYS A 69 0.842 0.618 4.642 1.00 0.00 C ATOM 1107 O CYS A 69 1.451 1.464 5.295 1.00 0.00 O ATOM 1108 CB CYS A 69 1.579 0.879 2.271 1.00 0.00 C ATOM 1109 SG CYS A 69 1.317 1.757 0.717 1.00 0.00 S ATOM 0 H CYS A 69 0.378 3.001 2.967 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.333 0.171 2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.446 1.306 2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.818 -0.162 2.052 1.00 0.00 H new ATOM 0 HG CYS A 69 1.626 0.980 -0.278 1.00 0.00 H new ATOM 1115 N THR A 70 0.546 -0.575 5.126 1.00 0.00 N ATOM 1116 CA THR A 70 0.866 -0.922 6.502 1.00 0.00 C ATOM 1117 C THR A 70 2.110 -1.802 6.566 1.00 0.00 C ATOM 1118 O THR A 70 2.490 -2.299 7.628 1.00 0.00 O ATOM 1119 CB THR A 70 -0.329 -1.636 7.179 1.00 0.00 C ATOM 1120 OG1 THR A 70 -0.103 -1.778 8.588 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.570 -3.010 6.557 1.00 0.00 C ATOM 0 H THR A 70 0.089 -1.315 4.594 1.00 0.00 H new ATOM 0 HA THR A 70 1.070 0.003 7.042 1.00 0.00 H new ATOM 0 HB THR A 70 -1.214 -1.020 7.021 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.841 -1.986 8.749 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.415 -3.490 7.051 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.788 -2.896 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.320 -3.626 6.680 1.00 0.00 H new ATOM 1129 N LYS A 71 2.741 -1.981 5.422 1.00 0.00 N ATOM 1130 CA LYS A 71 3.970 -2.749 5.331 1.00 0.00 C ATOM 1131 C LYS A 71 5.165 -1.812 5.365 1.00 0.00 C ATOM 1132 O LYS A 71 5.160 -0.773 4.710 1.00 0.00 O ATOM 1133 CB LYS A 71 3.971 -3.558 4.034 1.00 0.00 C ATOM 1134 CG LYS A 71 5.282 -4.274 3.713 1.00 0.00 C ATOM 1135 CD LYS A 71 5.362 -5.667 4.329 1.00 0.00 C ATOM 1136 CE LYS A 71 5.640 -5.632 5.822 1.00 0.00 C ATOM 1137 NZ LYS A 71 5.978 -6.980 6.354 1.00 0.00 N ATOM 0 H LYS A 71 2.419 -1.600 4.532 1.00 0.00 H new ATOM 0 HA LYS A 71 4.035 -3.433 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.174 -4.300 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.729 -2.889 3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.392 -4.353 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.117 -3.673 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.424 -6.193 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.147 -6.236 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.463 -4.946 6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.766 -5.244 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.177 -6.911 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.176 -7.625 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.817 -7.347 5.861 1.00 0.00 H new ATOM 1151 N ASN A 72 6.165 -2.163 6.156 1.00 0.00 N ATOM 1152 CA ASN A 72 7.402 -1.400 6.194 1.00 0.00 C ATOM 1153 C ASN A 72 8.330 -1.908 5.107 1.00 0.00 C ATOM 1154 O ASN A 72 8.585 -3.109 5.017 1.00 0.00 O ATOM 1155 CB ASN A 72 8.089 -1.506 7.566 1.00 0.00 C ATOM 1156 CG ASN A 72 7.293 -0.875 8.702 1.00 0.00 C ATOM 1157 OD1 ASN A 72 5.980 -1.012 8.658 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 7.861 -0.294 9.628 1.00 0.00 N flip ATOM 0 H ASN A 72 6.145 -2.970 6.780 1.00 0.00 H new ATOM 0 HA ASN A 72 7.167 -0.349 6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.261 -2.558 7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.067 -1.028 7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.877 -0.207 9.629 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.315 0.100 10.394 1.00 0.00 H new ATOM 1165 N LEU A 73 8.814 -1.004 4.274 1.00 0.00 N ATOM 1166 CA LEU A 73 9.664 -1.394 3.153 1.00 0.00 C ATOM 1167 C LEU A 73 11.138 -1.270 3.520 1.00 0.00 C ATOM 1168 O LEU A 73 11.659 -0.165 3.665 1.00 0.00 O ATOM 1169 CB LEU A 73 9.367 -0.558 1.900 1.00 0.00 C ATOM 1170 CG LEU A 73 8.038 -0.856 1.197 1.00 0.00 C ATOM 1171 CD1 LEU A 73 6.857 -0.337 1.999 1.00 0.00 C ATOM 1172 CD2 LEU A 73 8.034 -0.253 -0.196 1.00 0.00 C ATOM 0 H LEU A 73 8.638 -0.002 4.347 1.00 0.00 H new ATOM 0 HA LEU A 73 9.440 -2.437 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.381 0.496 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.176 -0.709 1.185 1.00 0.00 H new ATOM 0 HG LEU A 73 7.937 -1.938 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.931 -0.565 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.844 -0.815 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.947 0.742 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.085 -0.472 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.165 0.827 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.849 -0.680 -0.780 1.00 0.00 H new ATOM 1184 N PRO A 74 11.828 -2.409 3.680 1.00 0.00 N ATOM 1185 CA PRO A 74 13.242 -2.439 4.013 1.00 0.00 C ATOM 1186 C PRO A 74 14.137 -2.419 2.774 1.00 0.00 C ATOM 1187 O PRO A 74 13.856 -3.084 1.770 1.00 0.00 O ATOM 1188 CB PRO A 74 13.377 -3.763 4.762 1.00 0.00 C ATOM 1189 CG PRO A 74 12.345 -4.657 4.155 1.00 0.00 C ATOM 1190 CD PRO A 74 11.273 -3.768 3.564 1.00 0.00 C ATOM 0 HA PRO A 74 13.555 -1.567 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.377 -4.181 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.206 -3.631 5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.788 -5.289 3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.921 -5.322 4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.068 -4.027 2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.333 -3.862 4.107 1.00 0.00 H new