USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 642 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 57 THR OG1 : rot 180:sc= 0.0576 USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -10.6! C(o=-13!,f=-11!) USER MOD Set 2.1: A 10 ASN : amide:sc= -0.979! C(o=-3.3!,f=-8.3!) USER MOD Set 2.2: A 11 SER OG : rot 7:sc= -2.25! USER MOD Set 2.3: A 36 GLN : amide:sc= -0.0565 K(o=-3.3,f=-4.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 165:sc= 0 USER MOD Single : A 21 SER OG : rot 176:sc= -1.64! USER MOD Single : A 23 THR OG1 : rot -67:sc= -9! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.19) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc=-0.00792 (180deg=-0.701) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.28 X(o=-2.3,f=-1.8) USER MOD Single : A 55 HIS : no HE2:sc= -9.44! C(o=-9.4!,f=-9!) USER MOD Single : A 59 GLN : amide:sc= -2.79 K(o=-2.8,f=-5.9!) USER MOD Single : A 61 CYS SG : rot 47:sc= -3.73! USER MOD Single : A 65 GLN :FLIP amide:sc= -2.44 F(o=-4.1!,f=-2.4) USER MOD Single : A 66 GLN : amide:sc= -0.0091 X(o=-0.0091,f=-0.18) USER MOD Single : A 67 SER OG : rot -56:sc= -0.0385 USER MOD Single : A 70 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.077 -13.059 24.213 1.00 0.00 N ATOM 2 CA MET A 1 12.684 -12.104 25.287 1.00 0.00 C ATOM 3 C MET A 1 11.580 -11.180 24.771 1.00 0.00 C ATOM 4 O MET A 1 11.765 -9.986 24.640 1.00 0.00 O ATOM 5 CB MET A 1 13.900 -11.273 25.700 1.00 0.00 C ATOM 6 CG MET A 1 14.863 -12.149 26.502 1.00 0.00 C ATOM 7 SD MET A 1 16.393 -12.379 25.566 1.00 0.00 S ATOM 8 CE MET A 1 17.517 -12.417 26.983 1.00 0.00 C ATOM 0 H1 MET A 1 13.828 -13.687 24.565 1.00 0.00 H new ATOM 0 H2 MET A 1 12.252 -13.628 23.935 1.00 0.00 H new ATOM 0 H3 MET A 1 13.426 -12.530 23.389 1.00 0.00 H new ATOM 0 HA MET A 1 12.315 -12.658 26.150 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.401 -10.877 24.817 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.584 -10.418 26.298 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.079 -11.684 27.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.404 -13.115 26.711 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.540 -12.554 26.632 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.444 -11.478 27.531 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.246 -13.243 27.641 1.00 0.00 H new ATOM 20 N GLY A 2 10.431 -11.726 24.485 1.00 0.00 N ATOM 21 CA GLY A 2 9.307 -10.886 23.987 1.00 0.00 C ATOM 22 C GLY A 2 8.092 -11.102 24.882 1.00 0.00 C ATOM 23 O GLY A 2 7.968 -12.109 25.549 1.00 0.00 O ATOM 0 H GLY A 2 10.222 -12.720 24.575 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.594 -9.834 23.988 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.068 -11.150 22.957 1.00 0.00 H new ATOM 27 N MET A 3 7.207 -10.152 24.920 1.00 0.00 N ATOM 28 CA MET A 3 6.013 -10.284 25.790 1.00 0.00 C ATOM 29 C MET A 3 4.738 -10.116 24.970 1.00 0.00 C ATOM 30 O MET A 3 4.753 -9.647 23.841 1.00 0.00 O ATOM 31 CB MET A 3 6.066 -9.207 26.872 1.00 0.00 C ATOM 32 CG MET A 3 5.095 -9.538 28.005 1.00 0.00 C ATOM 33 SD MET A 3 5.503 -11.157 28.708 1.00 0.00 S ATOM 34 CE MET A 3 6.459 -10.557 30.124 1.00 0.00 C ATOM 0 H MET A 3 7.260 -9.286 24.384 1.00 0.00 H new ATOM 0 HA MET A 3 6.009 -11.274 26.245 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.080 -9.128 27.265 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.815 -8.238 26.441 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.149 -8.771 28.778 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.072 -9.541 27.630 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.815 -11.405 30.708 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.311 -9.978 29.769 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.827 -9.926 30.749 1.00 0.00 H new ATOM 44 N ILE A 4 3.634 -10.496 25.540 1.00 0.00 N ATOM 45 CA ILE A 4 2.334 -10.363 24.841 1.00 0.00 C ATOM 46 C ILE A 4 1.934 -8.892 24.803 1.00 0.00 C ATOM 47 O ILE A 4 2.088 -8.167 25.766 1.00 0.00 O ATOM 48 CB ILE A 4 1.269 -11.123 25.635 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.557 -12.152 24.751 1.00 0.00 C ATOM 50 CG2 ILE A 4 0.245 -10.116 26.139 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.561 -13.180 24.235 1.00 0.00 C ATOM 0 H ILE A 4 3.578 -10.899 26.475 1.00 0.00 H new ATOM 0 HA ILE A 4 2.419 -10.759 23.829 1.00 0.00 H new ATOM 0 HB ILE A 4 1.746 -11.649 26.462 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.228 -12.651 25.319 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.073 -11.651 23.912 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.526 -10.635 26.709 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.739 -9.384 26.779 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.212 -9.606 25.291 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.047 -13.908 23.607 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.330 -12.676 23.650 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.024 -13.692 25.079 1.00 0.00 H new ATOM 63 N VAL A 5 1.377 -8.459 23.714 1.00 0.00 N ATOM 64 CA VAL A 5 0.913 -7.052 23.637 1.00 0.00 C ATOM 65 C VAL A 5 -0.587 -7.090 23.852 1.00 0.00 C ATOM 66 O VAL A 5 -1.257 -8.002 23.411 1.00 0.00 O ATOM 67 CB VAL A 5 1.217 -6.444 22.269 1.00 0.00 C ATOM 68 CG1 VAL A 5 2.201 -5.286 22.432 1.00 0.00 C ATOM 69 CG2 VAL A 5 1.835 -7.504 21.361 1.00 0.00 C ATOM 0 H VAL A 5 1.223 -9.017 22.874 1.00 0.00 H new ATOM 0 HA VAL A 5 1.421 -6.440 24.383 1.00 0.00 H new ATOM 0 HB VAL A 5 0.291 -6.079 21.825 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.418 -4.852 21.456 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.763 -4.525 23.078 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.125 -5.654 22.879 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.051 -7.067 20.386 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.760 -7.871 21.807 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.137 -8.332 21.241 1.00 0.00 H new ATOM 79 N PHE A 6 -1.132 -6.139 24.531 1.00 0.00 N ATOM 80 CA PHE A 6 -2.593 -6.175 24.765 1.00 0.00 C ATOM 81 C PHE A 6 -3.310 -5.531 23.590 1.00 0.00 C ATOM 82 O PHE A 6 -3.302 -4.335 23.435 1.00 0.00 O ATOM 83 CB PHE A 6 -2.919 -5.419 26.044 1.00 0.00 C ATOM 84 CG PHE A 6 -4.131 -6.048 26.682 1.00 0.00 C ATOM 85 CD1 PHE A 6 -4.210 -7.443 26.812 1.00 0.00 C ATOM 86 CD2 PHE A 6 -5.179 -5.240 27.138 1.00 0.00 C ATOM 87 CE1 PHE A 6 -5.336 -8.025 27.404 1.00 0.00 C ATOM 88 CE2 PHE A 6 -6.303 -5.823 27.729 1.00 0.00 C ATOM 89 CZ PHE A 6 -6.383 -7.216 27.863 1.00 0.00 C ATOM 0 H PHE A 6 -0.638 -5.342 24.933 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.922 -7.209 24.864 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.072 -5.452 26.729 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.110 -4.369 25.824 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.403 -8.066 26.456 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.119 -4.167 27.033 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.398 -9.098 27.507 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.111 -5.200 28.083 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.252 -7.665 28.320 1.00 0.00 H new ATOM 99 N VAL A 7 -3.936 -6.311 22.764 1.00 0.00 N ATOM 100 CA VAL A 7 -4.652 -5.722 21.607 1.00 0.00 C ATOM 101 C VAL A 7 -6.101 -5.487 21.982 1.00 0.00 C ATOM 102 O VAL A 7 -6.879 -6.415 22.070 1.00 0.00 O ATOM 103 CB VAL A 7 -4.592 -6.690 20.420 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.862 -6.562 19.551 1.00 0.00 C ATOM 105 CG2 VAL A 7 -3.356 -6.358 19.582 1.00 0.00 C ATOM 0 H VAL A 7 -3.984 -7.327 22.838 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.182 -4.777 21.333 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.533 -7.714 20.790 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.801 -7.257 18.713 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.740 -6.796 20.153 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.942 -5.543 19.172 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.299 -7.039 18.733 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.426 -5.332 19.221 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.461 -6.467 20.195 1.00 0.00 H new ATOM 115 N ARG A 8 -6.502 -4.262 22.160 1.00 0.00 N ATOM 116 CA ARG A 8 -7.923 -4.049 22.469 1.00 0.00 C ATOM 117 C ARG A 8 -8.655 -4.202 21.140 1.00 0.00 C ATOM 118 O ARG A 8 -8.738 -3.288 20.346 1.00 0.00 O ATOM 119 CB ARG A 8 -8.127 -2.660 23.078 1.00 0.00 C ATOM 120 CG ARG A 8 -6.995 -2.368 24.077 1.00 0.00 C ATOM 121 CD ARG A 8 -7.006 -3.398 25.212 1.00 0.00 C ATOM 122 NE ARG A 8 -7.785 -2.863 26.364 1.00 0.00 N ATOM 123 CZ ARG A 8 -9.086 -2.966 26.377 1.00 0.00 C ATOM 124 NH1 ARG A 8 -9.649 -4.141 26.316 1.00 0.00 N ATOM 125 NH2 ARG A 8 -9.824 -1.892 26.444 1.00 0.00 N ATOM 0 H ARG A 8 -5.920 -3.426 22.105 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.302 -4.760 23.203 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.137 -1.904 22.292 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.093 -2.610 23.581 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.033 -2.393 23.564 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.112 -1.365 24.487 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.447 -4.332 24.865 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.986 -3.623 25.523 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.301 -2.416 27.143 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.072 -4.980 26.258 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.666 -4.220 26.326 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.384 -0.973 26.486 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.841 -1.972 26.454 1.00 0.00 H new ATOM 139 N PHE A 9 -9.146 -5.382 20.895 1.00 0.00 N ATOM 140 CA PHE A 9 -9.833 -5.688 19.612 1.00 0.00 C ATOM 141 C PHE A 9 -11.151 -4.919 19.533 1.00 0.00 C ATOM 142 O PHE A 9 -11.859 -4.787 20.512 1.00 0.00 O ATOM 143 CB PHE A 9 -10.119 -7.187 19.586 1.00 0.00 C ATOM 144 CG PHE A 9 -9.404 -7.905 18.458 1.00 0.00 C ATOM 145 CD1 PHE A 9 -9.013 -7.263 17.259 1.00 0.00 C ATOM 146 CD2 PHE A 9 -9.164 -9.277 18.613 1.00 0.00 C ATOM 147 CE1 PHE A 9 -8.404 -8.001 16.261 1.00 0.00 C ATOM 148 CE2 PHE A 9 -8.537 -10.003 17.602 1.00 0.00 C ATOM 149 CZ PHE A 9 -8.157 -9.367 16.426 1.00 0.00 C ATOM 0 H PHE A 9 -9.099 -6.166 21.546 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.208 -5.398 18.768 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.818 -7.626 20.537 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.193 -7.345 19.487 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.189 -6.206 17.125 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.467 -9.775 19.522 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.115 -7.515 15.341 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.347 -11.058 17.732 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.672 -9.927 15.641 1.00 0.00 H new ATOM 159 N ASN A 10 -11.468 -4.402 18.371 1.00 0.00 N ATOM 160 CA ASN A 10 -12.732 -3.625 18.188 1.00 0.00 C ATOM 161 C ASN A 10 -13.831 -4.183 19.095 1.00 0.00 C ATOM 162 O ASN A 10 -13.844 -5.355 19.419 1.00 0.00 O ATOM 163 CB ASN A 10 -13.178 -3.729 16.728 1.00 0.00 C ATOM 164 CG ASN A 10 -14.141 -4.907 16.573 1.00 0.00 C ATOM 165 OD1 ASN A 10 -15.339 -4.721 16.497 1.00 0.00 O ATOM 166 ND2 ASN A 10 -13.665 -6.121 16.522 1.00 0.00 N ATOM 0 H ASN A 10 -10.896 -4.487 17.531 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.552 -2.582 18.450 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.665 -2.804 16.418 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.312 -3.866 16.081 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.299 -6.913 16.418 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.659 -6.277 16.586 1.00 0.00 H new ATOM 173 N SER A 11 -14.746 -3.349 19.513 1.00 0.00 N ATOM 174 CA SER A 11 -15.842 -3.821 20.408 1.00 0.00 C ATOM 175 C SER A 11 -15.311 -3.919 21.843 1.00 0.00 C ATOM 176 O SER A 11 -14.546 -3.084 22.285 1.00 0.00 O ATOM 177 CB SER A 11 -16.336 -5.190 19.936 1.00 0.00 C ATOM 178 OG SER A 11 -16.375 -5.207 18.516 1.00 0.00 O ATOM 0 H SER A 11 -14.781 -2.358 19.272 1.00 0.00 H new ATOM 0 HA SER A 11 -16.673 -3.117 20.378 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.675 -5.975 20.303 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.327 -5.392 20.342 1.00 0.00 H new ATOM 0 HG SER A 11 -15.982 -4.380 18.168 1.00 0.00 H new ATOM 184 N SER A 12 -15.709 -4.922 22.576 1.00 0.00 N ATOM 185 CA SER A 12 -15.223 -5.057 23.979 1.00 0.00 C ATOM 186 C SER A 12 -14.348 -6.306 24.108 1.00 0.00 C ATOM 187 O SER A 12 -13.861 -6.626 25.174 1.00 0.00 O ATOM 188 CB SER A 12 -16.420 -5.186 24.917 1.00 0.00 C ATOM 189 OG SER A 12 -16.222 -4.353 26.053 1.00 0.00 O ATOM 0 H SER A 12 -16.349 -5.653 22.265 1.00 0.00 H new ATOM 0 HA SER A 12 -14.637 -4.176 24.242 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.335 -4.901 24.398 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.541 -6.223 25.229 1.00 0.00 H new ATOM 0 HG SER A 12 -16.991 -4.434 26.656 1.00 0.00 H new ATOM 195 N TYR A 13 -14.150 -7.019 23.035 1.00 0.00 N ATOM 196 CA TYR A 13 -13.312 -8.250 23.106 1.00 0.00 C ATOM 197 C TYR A 13 -11.839 -7.898 22.897 1.00 0.00 C ATOM 198 O TYR A 13 -11.484 -7.178 21.984 1.00 0.00 O ATOM 199 CB TYR A 13 -13.742 -9.233 22.018 1.00 0.00 C ATOM 200 CG TYR A 13 -12.715 -10.336 21.915 1.00 0.00 C ATOM 201 CD1 TYR A 13 -12.614 -11.293 22.931 1.00 0.00 C ATOM 202 CD2 TYR A 13 -11.861 -10.398 20.806 1.00 0.00 C ATOM 203 CE1 TYR A 13 -11.659 -12.315 22.837 1.00 0.00 C ATOM 204 CE2 TYR A 13 -10.906 -11.418 20.714 1.00 0.00 C ATOM 205 CZ TYR A 13 -10.806 -12.376 21.730 1.00 0.00 C ATOM 206 OH TYR A 13 -9.864 -13.379 21.639 1.00 0.00 O ATOM 0 H TYR A 13 -14.531 -6.804 22.113 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.444 -8.702 24.089 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.721 -9.651 22.254 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.838 -8.718 21.062 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.271 -11.244 23.787 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.939 -9.659 20.022 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.582 -13.055 23.619 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.247 -11.466 19.860 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.522 -13.425 20.722 1.00 0.00 H new ATOM 216 N GLY A 14 -10.977 -8.417 23.728 1.00 0.00 N ATOM 217 CA GLY A 14 -9.523 -8.137 23.573 1.00 0.00 C ATOM 218 C GLY A 14 -8.789 -9.461 23.358 1.00 0.00 C ATOM 219 O GLY A 14 -9.225 -10.497 23.820 1.00 0.00 O ATOM 0 H GLY A 14 -11.219 -9.025 24.510 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.355 -7.470 22.727 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.139 -7.632 24.459 1.00 0.00 H new ATOM 223 N PHE A 15 -7.685 -9.452 22.659 1.00 0.00 N ATOM 224 CA PHE A 15 -6.958 -10.729 22.428 1.00 0.00 C ATOM 225 C PHE A 15 -5.450 -10.483 22.570 1.00 0.00 C ATOM 226 O PHE A 15 -4.954 -9.448 22.172 1.00 0.00 O ATOM 227 CB PHE A 15 -7.316 -11.257 21.035 1.00 0.00 C ATOM 228 CG PHE A 15 -6.183 -11.033 20.070 1.00 0.00 C ATOM 229 CD1 PHE A 15 -5.167 -11.989 19.965 1.00 0.00 C ATOM 230 CD2 PHE A 15 -6.152 -9.882 19.266 1.00 0.00 C ATOM 231 CE1 PHE A 15 -4.117 -11.800 19.060 1.00 0.00 C ATOM 232 CE2 PHE A 15 -5.103 -9.698 18.363 1.00 0.00 C ATOM 233 CZ PHE A 15 -4.087 -10.654 18.258 1.00 0.00 C ATOM 0 H PHE A 15 -7.260 -8.623 22.243 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.248 -11.479 23.164 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.545 -12.321 21.093 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.213 -10.757 20.671 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.193 -12.874 20.583 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.935 -9.143 19.346 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.331 -12.537 18.981 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.076 -8.814 17.743 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.279 -10.507 17.557 1.00 0.00 H new ATOM 243 N PRO A 16 -4.774 -11.431 23.175 1.00 0.00 N ATOM 244 CA PRO A 16 -3.325 -11.336 23.434 1.00 0.00 C ATOM 245 C PRO A 16 -2.512 -11.600 22.175 1.00 0.00 C ATOM 246 O PRO A 16 -2.874 -12.390 21.326 1.00 0.00 O ATOM 247 CB PRO A 16 -3.071 -12.416 24.489 1.00 0.00 C ATOM 248 CG PRO A 16 -4.236 -13.428 24.359 1.00 0.00 C ATOM 249 CD PRO A 16 -5.389 -12.688 23.649 1.00 0.00 C ATOM 0 HA PRO A 16 -3.027 -10.341 23.765 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.111 -12.904 24.323 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.040 -11.984 25.489 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.927 -14.303 23.787 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.551 -13.784 25.340 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.788 -13.273 22.821 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.217 -12.494 24.330 1.00 0.00 H new ATOM 257 N VAL A 17 -1.418 -10.914 22.058 1.00 0.00 N ATOM 258 CA VAL A 17 -0.546 -11.061 20.871 1.00 0.00 C ATOM 259 C VAL A 17 0.872 -11.414 21.302 1.00 0.00 C ATOM 260 O VAL A 17 1.280 -11.085 22.380 1.00 0.00 O ATOM 261 CB VAL A 17 -0.501 -9.723 20.168 1.00 0.00 C ATOM 262 CG1 VAL A 17 0.799 -9.626 19.381 1.00 0.00 C ATOM 263 CG2 VAL A 17 -1.710 -9.601 19.254 1.00 0.00 C ATOM 0 H VAL A 17 -1.085 -10.243 22.750 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.934 -11.847 20.223 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.533 -8.906 20.888 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.844 -8.665 18.869 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.645 -9.713 20.063 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.841 -10.430 18.647 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.684 -8.638 18.743 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.691 -10.403 18.517 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.622 -9.674 19.846 1.00 0.00 H new ATOM 273 N GLU A 18 1.649 -12.035 20.461 1.00 0.00 N ATOM 274 CA GLU A 18 3.055 -12.339 20.859 1.00 0.00 C ATOM 275 C GLU A 18 4.007 -11.605 19.909 1.00 0.00 C ATOM 276 O GLU A 18 4.072 -11.907 18.734 1.00 0.00 O ATOM 277 CB GLU A 18 3.304 -13.847 20.774 1.00 0.00 C ATOM 278 CG GLU A 18 4.254 -14.265 21.899 1.00 0.00 C ATOM 279 CD GLU A 18 5.402 -15.095 21.322 1.00 0.00 C ATOM 280 OE1 GLU A 18 5.219 -15.667 20.261 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.445 -15.143 21.953 1.00 0.00 O ATOM 0 H GLU A 18 1.379 -12.343 19.527 1.00 0.00 H new ATOM 0 HA GLU A 18 3.227 -12.010 21.884 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.362 -14.388 20.858 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.734 -14.103 19.805 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.648 -13.382 22.402 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.714 -14.844 22.648 1.00 0.00 H new ATOM 288 N VAL A 19 4.754 -10.642 20.399 1.00 0.00 N ATOM 289 CA VAL A 19 5.694 -9.908 19.490 1.00 0.00 C ATOM 290 C VAL A 19 6.934 -9.458 20.257 1.00 0.00 C ATOM 291 O VAL A 19 6.952 -9.396 21.470 1.00 0.00 O ATOM 292 CB VAL A 19 5.019 -8.658 18.910 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.512 -8.737 19.129 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.567 -7.417 19.618 1.00 0.00 C ATOM 0 H VAL A 19 4.755 -10.336 21.372 1.00 0.00 H new ATOM 0 HA VAL A 19 5.973 -10.590 18.687 1.00 0.00 H new ATOM 0 HB VAL A 19 5.226 -8.598 17.841 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.037 -7.847 18.716 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.118 -9.623 18.631 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.302 -8.797 20.197 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.091 -6.525 19.210 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.357 -7.484 20.685 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.644 -7.356 19.464 1.00 0.00 H new ATOM 304 N ASP A 20 7.964 -9.122 19.537 1.00 0.00 N ATOM 305 CA ASP A 20 9.216 -8.642 20.171 1.00 0.00 C ATOM 306 C ASP A 20 9.425 -7.184 19.765 1.00 0.00 C ATOM 307 O ASP A 20 8.621 -6.607 19.060 1.00 0.00 O ATOM 308 CB ASP A 20 10.393 -9.492 19.686 1.00 0.00 C ATOM 309 CG ASP A 20 10.235 -10.921 20.207 1.00 0.00 C ATOM 310 OD1 ASP A 20 9.256 -11.176 20.887 1.00 0.00 O ATOM 311 OD2 ASP A 20 11.095 -11.736 19.916 1.00 0.00 O ATOM 0 H ASP A 20 7.990 -9.161 18.518 1.00 0.00 H new ATOM 0 HA ASP A 20 9.150 -8.723 21.256 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.431 -9.492 18.597 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.333 -9.066 20.038 1.00 0.00 H new ATOM 316 N SER A 21 10.492 -6.577 20.198 1.00 0.00 N ATOM 317 CA SER A 21 10.747 -5.152 19.833 1.00 0.00 C ATOM 318 C SER A 21 11.008 -5.021 18.324 1.00 0.00 C ATOM 319 O SER A 21 11.242 -3.942 17.820 1.00 0.00 O ATOM 320 CB SER A 21 11.980 -4.669 20.590 1.00 0.00 C ATOM 321 OG SER A 21 11.705 -4.666 21.985 1.00 0.00 O ATOM 0 H SER A 21 11.203 -7.005 20.791 1.00 0.00 H new ATOM 0 HA SER A 21 9.874 -4.554 20.094 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.829 -5.318 20.377 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.254 -3.667 20.260 1.00 0.00 H new ATOM 0 HG SER A 21 12.515 -4.419 22.478 1.00 0.00 H new ATOM 327 N ASP A 22 10.997 -6.110 17.607 1.00 0.00 N ATOM 328 CA ASP A 22 11.272 -6.049 16.140 1.00 0.00 C ATOM 329 C ASP A 22 9.971 -6.064 15.326 1.00 0.00 C ATOM 330 O ASP A 22 9.950 -5.609 14.199 1.00 0.00 O ATOM 331 CB ASP A 22 12.126 -7.255 15.737 1.00 0.00 C ATOM 332 CG ASP A 22 13.598 -6.844 15.668 1.00 0.00 C ATOM 333 OD1 ASP A 22 14.059 -6.206 16.600 1.00 0.00 O ATOM 334 OD2 ASP A 22 14.241 -7.177 14.686 1.00 0.00 O ATOM 0 H ASP A 22 10.809 -7.043 17.973 1.00 0.00 H new ATOM 0 HA ASP A 22 11.799 -5.118 15.931 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.997 -8.062 16.459 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.799 -7.637 14.770 1.00 0.00 H new ATOM 339 N THR A 23 8.890 -6.584 15.860 1.00 0.00 N ATOM 340 CA THR A 23 7.622 -6.612 15.069 1.00 0.00 C ATOM 341 C THR A 23 7.448 -5.268 14.353 1.00 0.00 C ATOM 342 O THR A 23 7.571 -4.215 14.946 1.00 0.00 O ATOM 343 CB THR A 23 6.433 -6.898 15.993 1.00 0.00 C ATOM 344 OG1 THR A 23 6.911 -7.225 17.286 1.00 0.00 O ATOM 345 CG2 THR A 23 5.632 -8.073 15.433 1.00 0.00 C ATOM 0 H THR A 23 8.832 -6.984 16.796 1.00 0.00 H new ATOM 0 HA THR A 23 7.668 -7.406 14.324 1.00 0.00 H new ATOM 0 HB THR A 23 5.795 -6.017 16.054 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.388 -8.081 17.252 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.785 -8.280 16.087 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.268 -7.823 14.436 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.271 -8.954 15.376 1.00 0.00 H new ATOM 353 N SER A 24 7.203 -5.304 13.067 1.00 0.00 N ATOM 354 CA SER A 24 7.066 -4.040 12.280 1.00 0.00 C ATOM 355 C SER A 24 5.726 -3.353 12.547 1.00 0.00 C ATOM 356 O SER A 24 5.401 -2.370 11.930 1.00 0.00 O ATOM 357 CB SER A 24 7.161 -4.365 10.798 1.00 0.00 C ATOM 358 OG SER A 24 8.374 -5.060 10.545 1.00 0.00 O ATOM 0 H SER A 24 7.091 -6.161 12.525 1.00 0.00 H new ATOM 0 HA SER A 24 7.866 -3.364 12.583 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.310 -4.973 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.125 -3.448 10.210 1.00 0.00 H new ATOM 0 HG SER A 24 8.436 -5.272 9.590 1.00 0.00 H new ATOM 364 N ILE A 25 4.978 -3.861 13.468 1.00 0.00 N ATOM 365 CA ILE A 25 3.663 -3.263 13.842 1.00 0.00 C ATOM 366 C ILE A 25 2.592 -3.491 12.763 1.00 0.00 C ATOM 367 O ILE A 25 1.451 -3.692 13.099 1.00 0.00 O ATOM 368 CB ILE A 25 3.852 -1.776 14.104 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.668 -1.583 15.382 1.00 0.00 C ATOM 370 CG2 ILE A 25 2.497 -1.070 14.245 1.00 0.00 C ATOM 371 CD1 ILE A 25 3.907 -2.143 16.590 1.00 0.00 C ATOM 0 H ILE A 25 5.224 -4.695 14.001 1.00 0.00 H new ATOM 0 HA ILE A 25 3.306 -3.758 14.745 1.00 0.00 H new ATOM 0 HB ILE A 25 4.382 -1.339 13.258 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.631 -2.085 15.286 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.874 -0.523 15.533 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.658 -0.008 14.432 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.925 -1.194 13.326 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.945 -1.505 15.078 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.500 -1.998 17.493 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.955 -1.622 16.694 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.724 -3.207 16.443 1.00 0.00 H new ATOM 383 N LEU A 26 2.911 -3.539 11.489 1.00 0.00 N ATOM 384 CA LEU A 26 1.831 -3.836 10.512 1.00 0.00 C ATOM 385 C LEU A 26 1.664 -5.325 10.617 1.00 0.00 C ATOM 386 O LEU A 26 0.583 -5.869 10.579 1.00 0.00 O ATOM 387 CB LEU A 26 2.218 -3.430 9.093 1.00 0.00 C ATOM 388 CG LEU A 26 1.420 -4.249 8.078 1.00 0.00 C ATOM 389 CD1 LEU A 26 2.081 -5.613 7.924 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.042 -4.411 8.542 1.00 0.00 C ATOM 0 H LEU A 26 3.842 -3.390 11.100 1.00 0.00 H new ATOM 0 HA LEU A 26 0.916 -3.283 10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.027 -2.367 8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.286 -3.586 8.940 1.00 0.00 H new ATOM 0 HG LEU A 26 1.411 -3.733 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.522 -6.209 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.105 -5.484 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.090 -6.124 8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.594 -4.997 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.064 -4.923 9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.503 -3.428 8.643 1.00 0.00 H new ATOM 402 N GLN A 27 2.772 -5.970 10.831 1.00 0.00 N ATOM 403 CA GLN A 27 2.775 -7.420 11.038 1.00 0.00 C ATOM 404 C GLN A 27 1.876 -7.654 12.237 1.00 0.00 C ATOM 405 O GLN A 27 1.155 -8.623 12.328 1.00 0.00 O ATOM 406 CB GLN A 27 4.210 -7.823 11.353 1.00 0.00 C ATOM 407 CG GLN A 27 4.709 -8.811 10.297 1.00 0.00 C ATOM 408 CD GLN A 27 4.348 -10.235 10.723 1.00 0.00 C ATOM 409 OE1 GLN A 27 4.715 -10.673 11.794 1.00 0.00 O ATOM 410 NE2 GLN A 27 3.633 -10.980 9.924 1.00 0.00 N ATOM 0 H GLN A 27 3.692 -5.532 10.870 1.00 0.00 H new ATOM 0 HA GLN A 27 2.427 -7.993 10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.850 -6.941 11.372 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.262 -8.276 12.343 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.260 -8.584 9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.788 -8.718 10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.324 -10.612 9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.383 -11.930 10.200 1.00 0.00 H new ATOM 419 N LEU A 28 1.888 -6.707 13.134 1.00 0.00 N ATOM 420 CA LEU A 28 1.011 -6.764 14.327 1.00 0.00 C ATOM 421 C LEU A 28 -0.425 -6.728 13.823 1.00 0.00 C ATOM 422 O LEU A 28 -1.281 -7.460 14.275 1.00 0.00 O ATOM 423 CB LEU A 28 1.292 -5.521 15.184 1.00 0.00 C ATOM 424 CG LEU A 28 0.763 -5.720 16.595 1.00 0.00 C ATOM 425 CD1 LEU A 28 -0.724 -6.037 16.519 1.00 0.00 C ATOM 426 CD2 LEU A 28 1.512 -6.876 17.255 1.00 0.00 C ATOM 0 H LEU A 28 2.483 -5.880 13.085 1.00 0.00 H new ATOM 0 HA LEU A 28 1.184 -7.661 14.922 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.364 -5.327 15.215 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.823 -4.647 14.733 1.00 0.00 H new ATOM 0 HG LEU A 28 0.913 -4.817 17.186 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.117 -6.182 17.525 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.248 -5.210 16.041 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.873 -6.946 15.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.136 -7.022 18.267 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.359 -7.787 16.676 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.577 -6.645 17.293 1.00 0.00 H new ATOM 438 N LYS A 29 -0.681 -5.879 12.868 1.00 0.00 N ATOM 439 CA LYS A 29 -2.043 -5.777 12.293 1.00 0.00 C ATOM 440 C LYS A 29 -2.325 -7.044 11.479 1.00 0.00 C ATOM 441 O LYS A 29 -3.458 -7.367 11.197 1.00 0.00 O ATOM 442 CB LYS A 29 -2.118 -4.548 11.380 1.00 0.00 C ATOM 443 CG LYS A 29 -2.176 -3.271 12.225 1.00 0.00 C ATOM 444 CD LYS A 29 -0.971 -2.385 11.906 1.00 0.00 C ATOM 445 CE LYS A 29 -1.039 -1.072 12.699 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.154 -0.058 12.055 1.00 0.00 N ATOM 0 H LYS A 29 0.006 -5.246 12.459 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.781 -5.676 13.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.249 -4.520 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.999 -4.612 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.101 -2.731 12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.182 -3.525 13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.050 -2.915 12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.944 -2.170 10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.065 -0.707 12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.728 -1.240 13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.127 0.654 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.695 -0.527 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.666 0.407 11.278 1.00 0.00 H new ATOM 460 N GLU A 30 -1.292 -7.758 11.098 1.00 0.00 N ATOM 461 CA GLU A 30 -1.486 -9.005 10.301 1.00 0.00 C ATOM 462 C GLU A 30 -1.969 -10.126 11.218 1.00 0.00 C ATOM 463 O GLU A 30 -2.946 -10.784 10.934 1.00 0.00 O ATOM 464 CB GLU A 30 -0.155 -9.414 9.666 1.00 0.00 C ATOM 465 CG GLU A 30 0.268 -8.368 8.635 1.00 0.00 C ATOM 466 CD GLU A 30 -0.331 -8.718 7.271 1.00 0.00 C ATOM 467 OE1 GLU A 30 -1.081 -9.676 7.205 1.00 0.00 O ATOM 468 OE2 GLU A 30 -0.029 -8.019 6.317 1.00 0.00 O ATOM 0 H GLU A 30 -0.321 -7.527 11.307 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.226 -8.825 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.611 -9.511 10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.253 -10.389 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.067 -7.379 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.355 -8.329 8.567 1.00 0.00 H new ATOM 475 N VAL A 31 -1.294 -10.330 12.323 1.00 0.00 N ATOM 476 CA VAL A 31 -1.704 -11.396 13.287 1.00 0.00 C ATOM 477 C VAL A 31 -3.061 -11.022 13.855 1.00 0.00 C ATOM 478 O VAL A 31 -3.972 -11.824 13.902 1.00 0.00 O ATOM 479 CB VAL A 31 -0.676 -11.467 14.420 1.00 0.00 C ATOM 480 CG1 VAL A 31 -1.225 -12.333 15.557 1.00 0.00 C ATOM 481 CG2 VAL A 31 0.621 -12.083 13.891 1.00 0.00 C ATOM 0 H VAL A 31 -0.469 -9.798 12.600 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.759 -12.364 12.790 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.477 -10.462 14.794 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.493 -12.383 16.363 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.150 -11.896 15.934 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.424 -13.338 15.185 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.354 -12.134 14.696 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.421 -13.087 13.518 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.013 -11.467 13.082 1.00 0.00 H new ATOM 491 N VAL A 32 -3.210 -9.794 14.255 1.00 0.00 N ATOM 492 CA VAL A 32 -4.518 -9.352 14.783 1.00 0.00 C ATOM 493 C VAL A 32 -5.522 -9.462 13.643 1.00 0.00 C ATOM 494 O VAL A 32 -6.676 -9.781 13.835 1.00 0.00 O ATOM 495 CB VAL A 32 -4.427 -7.900 15.249 1.00 0.00 C ATOM 496 CG1 VAL A 32 -5.817 -7.435 15.678 1.00 0.00 C ATOM 497 CG2 VAL A 32 -3.449 -7.800 16.419 1.00 0.00 C ATOM 0 H VAL A 32 -2.481 -9.080 14.238 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.820 -9.966 15.631 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.067 -7.266 14.439 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.767 -6.399 16.013 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.502 -7.510 14.834 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.175 -8.063 16.493 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.384 -6.764 16.751 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.800 -8.424 17.241 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.464 -8.141 16.100 1.00 0.00 H new ATOM 507 N ALA A 33 -5.073 -9.213 12.446 1.00 0.00 N ATOM 508 CA ALA A 33 -5.976 -9.315 11.272 1.00 0.00 C ATOM 509 C ALA A 33 -6.438 -10.768 11.145 1.00 0.00 C ATOM 510 O ALA A 33 -7.515 -11.057 10.662 1.00 0.00 O ATOM 511 CB ALA A 33 -5.219 -8.903 10.002 1.00 0.00 C ATOM 0 H ALA A 33 -4.114 -8.942 12.231 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.835 -8.657 11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.884 -8.979 9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.872 -7.875 10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.363 -9.563 9.858 1.00 0.00 H new ATOM 517 N LYS A 34 -5.616 -11.680 11.586 1.00 0.00 N ATOM 518 CA LYS A 34 -5.966 -13.129 11.513 1.00 0.00 C ATOM 519 C LYS A 34 -7.166 -13.409 12.412 1.00 0.00 C ATOM 520 O LYS A 34 -8.104 -14.080 12.033 1.00 0.00 O ATOM 521 CB LYS A 34 -4.777 -13.966 12.008 1.00 0.00 C ATOM 522 CG LYS A 34 -3.481 -13.376 11.488 1.00 0.00 C ATOM 523 CD LYS A 34 -3.563 -13.183 9.971 1.00 0.00 C ATOM 524 CE LYS A 34 -3.371 -14.531 9.275 1.00 0.00 C ATOM 525 NZ LYS A 34 -3.167 -14.313 7.814 1.00 0.00 N ATOM 0 H LYS A 34 -4.705 -11.481 11.999 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.204 -13.389 10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.765 -13.989 13.098 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.880 -14.997 11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.287 -12.420 11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.648 -14.034 11.734 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.528 -12.756 9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.799 -12.479 9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.512 -15.052 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.242 -15.165 9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.036 -15.230 7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.999 -13.833 7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.323 -13.724 7.665 1.00 0.00 H new ATOM 539 N ARG A 35 -7.120 -12.918 13.615 1.00 0.00 N ATOM 540 CA ARG A 35 -8.238 -13.170 14.576 1.00 0.00 C ATOM 541 C ARG A 35 -9.493 -12.371 14.204 1.00 0.00 C ATOM 542 O ARG A 35 -10.600 -12.790 14.479 1.00 0.00 O ATOM 543 CB ARG A 35 -7.796 -12.767 15.980 1.00 0.00 C ATOM 544 CG ARG A 35 -6.996 -13.906 16.605 1.00 0.00 C ATOM 545 CD ARG A 35 -5.507 -13.644 16.400 1.00 0.00 C ATOM 546 NE ARG A 35 -4.723 -14.814 16.886 1.00 0.00 N ATOM 547 CZ ARG A 35 -4.828 -15.200 18.128 1.00 0.00 C ATOM 548 NH1 ARG A 35 -5.901 -15.826 18.530 1.00 0.00 N ATOM 549 NH2 ARG A 35 -3.860 -14.960 18.970 1.00 0.00 N ATOM 0 H ARG A 35 -6.356 -12.350 13.981 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.482 -14.232 14.537 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.189 -11.863 15.937 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.666 -12.538 16.596 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.221 -13.983 17.669 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.276 -14.856 16.150 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.300 -13.468 15.344 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.208 -12.744 16.938 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.104 -15.313 16.248 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.658 -16.014 17.873 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.982 -16.127 19.501 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.021 -14.471 18.657 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.942 -15.262 19.941 1.00 0.00 H new ATOM 563 N GLN A 36 -9.346 -11.220 13.611 1.00 0.00 N ATOM 564 CA GLN A 36 -10.550 -10.408 13.265 1.00 0.00 C ATOM 565 C GLN A 36 -11.178 -10.908 11.963 1.00 0.00 C ATOM 566 O GLN A 36 -12.293 -10.557 11.626 1.00 0.00 O ATOM 567 CB GLN A 36 -10.139 -8.946 13.086 1.00 0.00 C ATOM 568 CG GLN A 36 -10.470 -8.162 14.355 1.00 0.00 C ATOM 569 CD GLN A 36 -11.860 -7.537 14.225 1.00 0.00 C ATOM 570 OE1 GLN A 36 -12.860 -8.222 14.313 1.00 0.00 O ATOM 571 NE2 GLN A 36 -11.962 -6.253 14.017 1.00 0.00 N ATOM 0 H GLN A 36 -8.451 -10.806 13.351 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.278 -10.501 14.071 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.072 -8.881 12.874 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.660 -8.513 12.232 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.437 -8.822 15.221 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.724 -7.384 14.519 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.121 -5.680 13.943 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.882 -5.822 13.928 1.00 0.00 H new ATOM 580 N GLY A 37 -10.468 -11.696 11.213 1.00 0.00 N ATOM 581 CA GLY A 37 -11.022 -12.180 9.919 1.00 0.00 C ATOM 582 C GLY A 37 -10.887 -11.046 8.906 1.00 0.00 C ATOM 583 O GLY A 37 -11.503 -11.044 7.859 1.00 0.00 O ATOM 0 H GLY A 37 -9.530 -12.027 11.437 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.483 -13.064 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.067 -12.469 10.034 1.00 0.00 H new ATOM 587 N VAL A 38 -10.080 -10.076 9.232 1.00 0.00 N ATOM 588 CA VAL A 38 -9.876 -8.915 8.333 1.00 0.00 C ATOM 589 C VAL A 38 -8.383 -8.745 8.093 1.00 0.00 C ATOM 590 O VAL A 38 -7.565 -9.257 8.829 1.00 0.00 O ATOM 591 CB VAL A 38 -10.443 -7.666 9.005 1.00 0.00 C ATOM 592 CG1 VAL A 38 -11.635 -8.062 9.877 1.00 0.00 C ATOM 593 CG2 VAL A 38 -9.367 -7.027 9.884 1.00 0.00 C ATOM 0 H VAL A 38 -9.545 -10.042 10.100 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.382 -9.072 7.381 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.762 -6.954 8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.044 -7.174 10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.403 -8.524 9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.309 -8.771 10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.771 -6.136 10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.051 -7.738 10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.511 -6.751 9.268 1.00 0.00 H new ATOM 603 N PRO A 39 -8.092 -8.041 7.050 1.00 0.00 N ATOM 604 CA PRO A 39 -6.715 -7.768 6.620 1.00 0.00 C ATOM 605 C PRO A 39 -6.064 -6.687 7.492 1.00 0.00 C ATOM 606 O PRO A 39 -6.685 -5.709 7.869 1.00 0.00 O ATOM 607 CB PRO A 39 -6.887 -7.304 5.171 1.00 0.00 C ATOM 608 CG PRO A 39 -8.351 -6.814 5.041 1.00 0.00 C ATOM 609 CD PRO A 39 -9.131 -7.446 6.199 1.00 0.00 C ATOM 0 HA PRO A 39 -6.057 -8.632 6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.187 -6.503 4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.687 -8.119 4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.401 -5.726 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.775 -7.111 4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.712 -6.700 6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.833 -8.199 5.842 1.00 0.00 H new ATOM 617 N ALA A 40 -4.807 -6.868 7.806 1.00 0.00 N ATOM 618 CA ALA A 40 -4.068 -5.882 8.650 1.00 0.00 C ATOM 619 C ALA A 40 -4.285 -4.467 8.126 1.00 0.00 C ATOM 620 O ALA A 40 -4.082 -3.497 8.830 1.00 0.00 O ATOM 621 CB ALA A 40 -2.586 -6.212 8.581 1.00 0.00 C ATOM 0 H ALA A 40 -4.253 -7.671 7.508 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.431 -5.937 9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.027 -5.503 9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.420 -7.222 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.247 -6.148 7.547 1.00 0.00 H new ATOM 627 N ASP A 41 -4.680 -4.336 6.895 1.00 0.00 N ATOM 628 CA ASP A 41 -4.894 -2.981 6.329 1.00 0.00 C ATOM 629 C ASP A 41 -6.019 -2.268 7.092 1.00 0.00 C ATOM 630 O ASP A 41 -5.804 -1.253 7.724 1.00 0.00 O ATOM 631 CB ASP A 41 -5.270 -3.103 4.851 1.00 0.00 C ATOM 632 CG ASP A 41 -4.773 -1.871 4.093 1.00 0.00 C ATOM 633 OD1 ASP A 41 -5.478 -0.877 4.092 1.00 0.00 O ATOM 634 OD2 ASP A 41 -3.695 -1.944 3.524 1.00 0.00 O ATOM 0 H ASP A 41 -4.864 -5.109 6.256 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.977 -2.400 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.830 -4.006 4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.351 -3.195 4.747 1.00 0.00 H new ATOM 639 N GLN A 42 -7.216 -2.797 7.049 1.00 0.00 N ATOM 640 CA GLN A 42 -8.347 -2.153 7.788 1.00 0.00 C ATOM 641 C GLN A 42 -7.975 -2.091 9.260 1.00 0.00 C ATOM 642 O GLN A 42 -8.051 -1.069 9.912 1.00 0.00 O ATOM 643 CB GLN A 42 -9.607 -3.015 7.657 1.00 0.00 C ATOM 644 CG GLN A 42 -9.737 -3.538 6.224 1.00 0.00 C ATOM 645 CD GLN A 42 -11.114 -4.176 6.039 1.00 0.00 C ATOM 646 OE1 GLN A 42 -11.373 -5.248 6.550 1.00 0.00 O ATOM 647 NE2 GLN A 42 -12.013 -3.561 5.323 1.00 0.00 N ATOM 0 H GLN A 42 -7.459 -3.644 6.536 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.533 -1.159 7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.560 -3.851 8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.488 -2.429 7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.604 -2.722 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.955 -4.269 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.796 -2.661 4.894 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.934 -3.979 5.192 1.00 0.00 H new ATOM 656 N LEU A 43 -7.570 -3.211 9.765 1.00 0.00 N ATOM 657 CA LEU A 43 -7.168 -3.339 11.185 1.00 0.00 C ATOM 658 C LEU A 43 -5.951 -2.454 11.456 1.00 0.00 C ATOM 659 O LEU A 43 -5.065 -2.350 10.633 1.00 0.00 O ATOM 660 CB LEU A 43 -6.772 -4.792 11.368 1.00 0.00 C ATOM 661 CG LEU A 43 -7.112 -5.279 12.760 1.00 0.00 C ATOM 662 CD1 LEU A 43 -8.593 -5.676 12.822 1.00 0.00 C ATOM 663 CD2 LEU A 43 -6.235 -6.491 13.030 1.00 0.00 C ATOM 0 H LEU A 43 -7.498 -4.078 9.232 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.970 -3.040 11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.285 -5.408 10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.703 -4.906 11.191 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.939 -4.501 13.504 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.834 -6.026 13.826 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.212 -4.812 12.581 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.787 -6.473 12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.446 -6.878 14.027 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.443 -7.263 12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.186 -6.202 12.968 1.00 0.00 H new ATOM 675 N ARG A 44 -5.875 -1.827 12.603 1.00 0.00 N ATOM 676 CA ARG A 44 -4.676 -0.986 12.868 1.00 0.00 C ATOM 677 C ARG A 44 -4.408 -0.836 14.356 1.00 0.00 C ATOM 678 O ARG A 44 -5.199 -0.300 15.103 1.00 0.00 O ATOM 679 CB ARG A 44 -4.818 0.377 12.214 1.00 0.00 C ATOM 680 CG ARG A 44 -3.693 0.505 11.190 1.00 0.00 C ATOM 681 CD ARG A 44 -4.286 0.820 9.819 1.00 0.00 C ATOM 682 NE ARG A 44 -4.330 2.297 9.627 1.00 0.00 N ATOM 683 CZ ARG A 44 -4.864 2.800 8.547 1.00 0.00 C ATOM 684 NH1 ARG A 44 -6.021 2.367 8.127 1.00 0.00 N ATOM 685 NH2 ARG A 44 -4.241 3.738 7.886 1.00 0.00 N ATOM 0 H ARG A 44 -6.572 -1.860 13.347 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.819 -1.497 12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.791 0.473 11.731 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.752 1.170 12.959 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.002 1.293 11.489 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.120 -0.421 11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.685 0.358 9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.289 0.402 9.740 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.943 2.915 10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.509 1.635 8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.437 2.761 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.337 4.078 8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.659 4.131 7.042 1.00 0.00 H new ATOM 699 N VAL A 45 -3.275 -1.316 14.772 1.00 0.00 N ATOM 700 CA VAL A 45 -2.881 -1.248 16.198 1.00 0.00 C ATOM 701 C VAL A 45 -2.164 0.074 16.483 1.00 0.00 C ATOM 702 O VAL A 45 -1.140 0.376 15.903 1.00 0.00 O ATOM 703 CB VAL A 45 -1.932 -2.415 16.489 1.00 0.00 C ATOM 704 CG1 VAL A 45 -2.052 -2.824 17.952 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.307 -3.611 15.613 1.00 0.00 C ATOM 0 H VAL A 45 -2.588 -1.764 14.165 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.767 -1.308 16.830 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.910 -2.102 16.275 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.375 -3.654 18.154 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.790 -1.979 18.589 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.077 -3.132 18.161 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.631 -4.440 15.821 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.331 -3.914 15.830 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.226 -3.332 14.562 1.00 0.00 H new ATOM 715 N ILE A 46 -2.689 0.856 17.383 1.00 0.00 N ATOM 716 CA ILE A 46 -2.039 2.150 17.728 1.00 0.00 C ATOM 717 C ILE A 46 -1.803 2.166 19.243 1.00 0.00 C ATOM 718 O ILE A 46 -2.706 1.988 20.025 1.00 0.00 O ATOM 719 CB ILE A 46 -2.949 3.291 17.284 1.00 0.00 C ATOM 720 CG1 ILE A 46 -3.060 3.248 15.752 1.00 0.00 C ATOM 721 CG2 ILE A 46 -2.356 4.634 17.721 1.00 0.00 C ATOM 722 CD1 ILE A 46 -4.474 3.649 15.330 1.00 0.00 C ATOM 0 H ILE A 46 -3.546 0.653 17.898 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.081 2.271 17.221 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.934 3.182 17.738 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.331 3.924 15.305 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.831 2.246 15.388 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.012 5.443 17.400 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.260 4.653 18.807 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.373 4.762 17.268 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.552 3.618 14.243 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.194 2.956 15.765 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.686 4.659 15.680 1.00 0.00 H new ATOM 734 N PHE A 47 -0.582 2.307 19.658 1.00 0.00 N ATOM 735 CA PHE A 47 -0.278 2.235 21.117 1.00 0.00 C ATOM 736 C PHE A 47 -0.298 3.592 21.819 1.00 0.00 C ATOM 737 O PHE A 47 0.345 4.531 21.406 1.00 0.00 O ATOM 738 CB PHE A 47 1.110 1.663 21.276 1.00 0.00 C ATOM 739 CG PHE A 47 1.621 2.066 22.624 1.00 0.00 C ATOM 740 CD1 PHE A 47 2.249 3.307 22.800 1.00 0.00 C ATOM 741 CD2 PHE A 47 1.478 1.187 23.693 1.00 0.00 C ATOM 742 CE1 PHE A 47 2.738 3.665 24.061 1.00 0.00 C ATOM 743 CE2 PHE A 47 1.960 1.544 24.958 1.00 0.00 C ATOM 744 CZ PHE A 47 2.596 2.782 25.142 1.00 0.00 C ATOM 0 H PHE A 47 0.224 2.469 19.054 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.054 1.620 21.573 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.088 0.577 21.185 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.768 2.035 20.491 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.355 3.984 21.965 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.996 0.231 23.547 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.224 4.619 24.202 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.843 0.868 25.792 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.976 3.055 26.116 1.00 0.00 H new ATOM 754 N ALA A 48 -0.977 3.653 22.938 1.00 0.00 N ATOM 755 CA ALA A 48 -1.011 4.900 23.765 1.00 0.00 C ATOM 756 C ALA A 48 -1.576 6.083 22.986 1.00 0.00 C ATOM 757 O ALA A 48 -1.526 7.209 23.439 1.00 0.00 O ATOM 758 CB ALA A 48 0.404 5.234 24.216 1.00 0.00 C ATOM 0 H ALA A 48 -1.519 2.878 23.320 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.661 4.719 24.621 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.389 6.142 24.819 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.801 4.410 24.809 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.037 5.390 23.342 1.00 0.00 H new ATOM 764 N GLY A 49 -2.115 5.852 21.838 1.00 0.00 N ATOM 765 CA GLY A 49 -2.685 6.984 21.065 1.00 0.00 C ATOM 766 C GLY A 49 -1.715 7.411 19.967 1.00 0.00 C ATOM 767 O GLY A 49 -2.062 8.191 19.102 1.00 0.00 O ATOM 0 H GLY A 49 -2.189 4.935 21.397 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.638 6.691 20.625 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.886 7.824 21.730 1.00 0.00 H new ATOM 771 N LYS A 50 -0.507 6.913 19.970 1.00 0.00 N ATOM 772 CA LYS A 50 0.427 7.322 18.896 1.00 0.00 C ATOM 773 C LYS A 50 0.360 6.280 17.782 1.00 0.00 C ATOM 774 O LYS A 50 0.653 5.120 17.984 1.00 0.00 O ATOM 775 CB LYS A 50 1.851 7.400 19.451 1.00 0.00 C ATOM 776 CG LYS A 50 1.994 8.653 20.319 1.00 0.00 C ATOM 777 CD LYS A 50 1.717 8.300 21.783 1.00 0.00 C ATOM 778 CE LYS A 50 2.935 7.593 22.383 1.00 0.00 C ATOM 779 NZ LYS A 50 3.161 8.088 23.771 1.00 0.00 N ATOM 0 H LYS A 50 -0.137 6.255 20.656 1.00 0.00 H new ATOM 0 HA LYS A 50 0.150 8.303 18.509 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.072 6.510 20.040 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.570 7.428 18.633 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.998 9.065 20.218 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.299 9.422 19.982 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.494 9.204 22.349 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.840 7.656 21.852 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.776 6.515 22.391 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.817 7.781 21.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.988 7.609 24.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.330 9.114 23.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.322 7.887 24.352 1.00 0.00 H new ATOM 793 N GLU A 51 -0.038 6.683 16.608 1.00 0.00 N ATOM 794 CA GLU A 51 -0.133 5.713 15.488 1.00 0.00 C ATOM 795 C GLU A 51 1.274 5.387 15.001 1.00 0.00 C ATOM 796 O GLU A 51 1.922 6.189 14.357 1.00 0.00 O ATOM 797 CB GLU A 51 -0.952 6.320 14.346 1.00 0.00 C ATOM 798 CG GLU A 51 -0.407 5.825 13.006 1.00 0.00 C ATOM 799 CD GLU A 51 -1.512 5.893 11.947 1.00 0.00 C ATOM 800 OE1 GLU A 51 -2.038 6.972 11.738 1.00 0.00 O ATOM 801 OE2 GLU A 51 -1.812 4.863 11.366 1.00 0.00 O ATOM 0 H GLU A 51 -0.301 7.641 16.378 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.626 4.802 15.827 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.001 6.042 14.449 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.905 7.408 14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.443 6.435 12.700 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.046 4.801 13.104 1.00 0.00 H new ATOM 808 N LEU A 52 1.755 4.218 15.309 1.00 0.00 N ATOM 809 CA LEU A 52 3.121 3.848 14.869 1.00 0.00 C ATOM 810 C LEU A 52 3.068 3.367 13.429 1.00 0.00 C ATOM 811 O LEU A 52 2.234 2.557 13.079 1.00 0.00 O ATOM 812 CB LEU A 52 3.668 2.712 15.733 1.00 0.00 C ATOM 813 CG LEU A 52 3.096 2.820 17.136 1.00 0.00 C ATOM 814 CD1 LEU A 52 3.803 1.819 18.045 1.00 0.00 C ATOM 815 CD2 LEU A 52 3.319 4.241 17.661 1.00 0.00 C ATOM 0 H LEU A 52 1.261 3.505 15.846 1.00 0.00 H new ATOM 0 HA LEU A 52 3.766 4.721 14.961 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.405 1.749 15.295 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.756 2.760 15.768 1.00 0.00 H new ATOM 0 HG LEU A 52 2.028 2.602 17.120 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.396 1.893 19.053 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.649 0.809 17.664 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.870 2.039 18.068 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.910 4.325 18.668 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.387 4.457 17.683 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.818 4.954 17.006 1.00 0.00 H new ATOM 827 N PRO A 53 3.981 3.845 12.640 1.00 0.00 N ATOM 828 CA PRO A 53 4.073 3.436 11.246 1.00 0.00 C ATOM 829 C PRO A 53 4.699 2.052 11.217 1.00 0.00 C ATOM 830 O PRO A 53 5.652 1.776 11.917 1.00 0.00 O ATOM 831 CB PRO A 53 4.970 4.484 10.606 1.00 0.00 C ATOM 832 CG PRO A 53 5.779 5.119 11.759 1.00 0.00 C ATOM 833 CD PRO A 53 5.000 4.824 13.058 1.00 0.00 C ATOM 0 HA PRO A 53 3.120 3.376 10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.633 4.032 9.868 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.379 5.237 10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.783 4.698 11.805 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.890 6.193 11.609 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.651 4.418 13.832 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.545 5.727 13.466 1.00 0.00 H new ATOM 841 N ASN A 54 4.142 1.168 10.465 1.00 0.00 N ATOM 842 CA ASN A 54 4.666 -0.217 10.439 1.00 0.00 C ATOM 843 C ASN A 54 6.191 -0.246 10.252 1.00 0.00 C ATOM 844 O ASN A 54 6.893 -0.902 10.995 1.00 0.00 O ATOM 845 CB ASN A 54 3.991 -0.975 9.304 1.00 0.00 C ATOM 846 CG ASN A 54 4.131 -0.189 7.999 1.00 0.00 C ATOM 847 OD1 ASN A 54 3.302 0.642 7.685 1.00 0.00 O ATOM 848 ND2 ASN A 54 5.148 -0.420 7.216 1.00 0.00 N ATOM 0 H ASN A 54 3.339 1.340 9.860 1.00 0.00 H new ATOM 0 HA ASN A 54 4.446 -0.689 11.397 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.442 -1.961 9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.937 -1.130 9.534 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.246 0.096 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.845 -1.117 7.478 1.00 0.00 H new ATOM 855 N HIS A 55 6.721 0.427 9.263 1.00 0.00 N ATOM 856 CA HIS A 55 8.201 0.370 9.064 1.00 0.00 C ATOM 857 C HIS A 55 8.912 0.545 10.412 1.00 0.00 C ATOM 858 O HIS A 55 9.930 -0.068 10.664 1.00 0.00 O ATOM 859 CB HIS A 55 8.661 1.441 8.065 1.00 0.00 C ATOM 860 CG HIS A 55 8.103 2.786 8.429 1.00 0.00 C ATOM 861 ND1 HIS A 55 7.279 3.500 7.573 1.00 0.00 N ATOM 862 CD2 HIS A 55 8.274 3.577 9.533 1.00 0.00 C ATOM 863 CE1 HIS A 55 6.992 4.670 8.169 1.00 0.00 C ATOM 864 NE2 HIS A 55 7.574 4.769 9.370 1.00 0.00 N ATOM 0 H HIS A 55 6.206 1.003 8.597 1.00 0.00 H new ATOM 0 HA HIS A 55 8.461 -0.604 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.750 1.486 8.050 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.339 1.169 7.060 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.950 3.193 6.657 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.863 3.316 10.400 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.368 5.436 7.732 1.00 0.00 H new ATOM 872 N LEU A 56 8.375 1.351 11.290 1.00 0.00 N ATOM 873 CA LEU A 56 9.021 1.523 12.626 1.00 0.00 C ATOM 874 C LEU A 56 8.941 0.192 13.375 1.00 0.00 C ATOM 875 O LEU A 56 8.159 -0.673 13.034 1.00 0.00 O ATOM 876 CB LEU A 56 8.298 2.615 13.420 1.00 0.00 C ATOM 877 CG LEU A 56 8.796 3.991 12.968 1.00 0.00 C ATOM 878 CD1 LEU A 56 8.219 5.076 13.879 1.00 0.00 C ATOM 879 CD2 LEU A 56 10.323 4.034 13.033 1.00 0.00 C ATOM 0 H LEU A 56 7.524 1.894 11.143 1.00 0.00 H new ATOM 0 HA LEU A 56 10.063 1.820 12.502 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.222 2.538 13.267 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.479 2.484 14.487 1.00 0.00 H new ATOM 0 HG LEU A 56 8.470 4.168 11.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.576 6.053 13.553 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.130 5.053 13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.538 4.897 14.906 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.673 5.015 12.711 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.649 3.851 14.057 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.737 3.267 12.378 1.00 0.00 H new ATOM 891 N THR A 57 9.756 0.003 14.376 1.00 0.00 N ATOM 892 CA THR A 57 9.729 -1.291 15.111 1.00 0.00 C ATOM 893 C THR A 57 8.829 -1.206 16.345 1.00 0.00 C ATOM 894 O THR A 57 8.330 -0.158 16.705 1.00 0.00 O ATOM 895 CB THR A 57 11.148 -1.668 15.525 1.00 0.00 C ATOM 896 OG1 THR A 57 11.961 -0.503 15.552 1.00 0.00 O ATOM 897 CG2 THR A 57 11.705 -2.661 14.508 1.00 0.00 C ATOM 0 H THR A 57 10.435 0.684 14.715 1.00 0.00 H new ATOM 0 HA THR A 57 9.322 -2.057 14.451 1.00 0.00 H new ATOM 0 HB THR A 57 11.141 -2.118 16.518 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.872 -0.746 15.820 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.720 -2.940 14.791 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.076 -3.551 14.487 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.717 -2.201 13.520 1.00 0.00 H new ATOM 905 N VAL A 58 8.609 -2.326 16.976 1.00 0.00 N ATOM 906 CA VAL A 58 7.728 -2.373 18.176 1.00 0.00 C ATOM 907 C VAL A 58 8.250 -1.437 19.273 1.00 0.00 C ATOM 908 O VAL A 58 7.491 -0.830 20.000 1.00 0.00 O ATOM 909 CB VAL A 58 7.710 -3.807 18.704 1.00 0.00 C ATOM 910 CG1 VAL A 58 7.174 -3.814 20.134 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.805 -4.658 17.811 1.00 0.00 C ATOM 0 H VAL A 58 9.009 -3.225 16.706 1.00 0.00 H new ATOM 0 HA VAL A 58 6.725 -2.050 17.898 1.00 0.00 H new ATOM 0 HB VAL A 58 8.720 -4.217 18.696 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.160 -4.836 20.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.817 -3.201 20.766 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.162 -3.409 20.145 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.787 -5.683 18.182 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.794 -4.250 17.823 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.188 -4.648 16.790 1.00 0.00 H new ATOM 921 N GLN A 59 9.535 -1.326 19.408 1.00 0.00 N ATOM 922 CA GLN A 59 10.100 -0.443 20.468 1.00 0.00 C ATOM 923 C GLN A 59 10.367 0.942 19.896 1.00 0.00 C ATOM 924 O GLN A 59 11.199 1.681 20.384 1.00 0.00 O ATOM 925 CB GLN A 59 11.415 -1.028 20.931 1.00 0.00 C ATOM 926 CG GLN A 59 11.277 -1.563 22.358 1.00 0.00 C ATOM 927 CD GLN A 59 12.052 -0.662 23.321 1.00 0.00 C ATOM 928 OE1 GLN A 59 11.515 0.296 23.841 1.00 0.00 O ATOM 929 NE2 GLN A 59 13.300 -0.932 23.582 1.00 0.00 N ATOM 0 H GLN A 59 10.225 -1.808 18.831 1.00 0.00 H new ATOM 0 HA GLN A 59 9.394 -0.370 21.295 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.721 -1.831 20.261 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.194 -0.267 20.893 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.226 -1.599 22.644 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.657 -2.583 22.413 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.750 -1.736 23.145 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.827 -0.339 24.223 1.00 0.00 H new ATOM 938 N ASN A 60 9.670 1.295 18.868 1.00 0.00 N ATOM 939 CA ASN A 60 9.886 2.644 18.262 1.00 0.00 C ATOM 940 C ASN A 60 9.079 3.669 19.051 1.00 0.00 C ATOM 941 O ASN A 60 9.625 4.543 19.693 1.00 0.00 O ATOM 942 CB ASN A 60 9.451 2.655 16.794 1.00 0.00 C ATOM 943 CG ASN A 60 10.449 3.492 15.990 1.00 0.00 C ATOM 944 OD1 ASN A 60 10.223 4.767 15.818 1.00 0.00 O flip ATOM 945 ND2 ASN A 60 11.448 2.983 15.521 1.00 0.00 N flip ATOM 0 H ASN A 60 8.961 0.719 18.415 1.00 0.00 H new ATOM 0 HA ASN A 60 10.947 2.891 18.302 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.412 1.638 16.404 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.448 3.071 16.701 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.624 1.987 15.655 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.110 3.551 14.993 1.00 0.00 H new ATOM 952 N CYS A 61 7.782 3.537 19.054 1.00 0.00 N ATOM 953 CA CYS A 61 6.957 4.473 19.856 1.00 0.00 C ATOM 954 C CYS A 61 7.158 4.099 21.321 1.00 0.00 C ATOM 955 O CYS A 61 6.823 4.847 22.217 1.00 0.00 O ATOM 956 CB CYS A 61 5.479 4.332 19.483 1.00 0.00 C ATOM 957 SG CYS A 61 4.572 3.635 20.886 1.00 0.00 S ATOM 0 H CYS A 61 7.263 2.826 18.539 1.00 0.00 H new ATOM 0 HA CYS A 61 7.253 5.505 19.668 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.065 5.304 19.215 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.372 3.688 18.610 1.00 0.00 H new ATOM 0 HG CYS A 61 4.912 4.258 21.975 1.00 0.00 H new ATOM 963 N ASP A 62 7.711 2.923 21.540 1.00 0.00 N ATOM 964 CA ASP A 62 7.979 2.411 22.912 1.00 0.00 C ATOM 965 C ASP A 62 6.891 1.420 23.308 1.00 0.00 C ATOM 966 O ASP A 62 6.537 1.311 24.464 1.00 0.00 O ATOM 967 CB ASP A 62 8.041 3.549 23.931 1.00 0.00 C ATOM 968 CG ASP A 62 8.935 3.125 25.097 1.00 0.00 C ATOM 969 OD1 ASP A 62 10.125 2.966 24.877 1.00 0.00 O ATOM 970 OD2 ASP A 62 8.417 2.965 26.190 1.00 0.00 O ATOM 0 H ASP A 62 7.993 2.285 20.796 1.00 0.00 H new ATOM 0 HA ASP A 62 8.949 1.913 22.907 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.435 4.452 23.464 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.040 3.787 24.291 1.00 0.00 H new ATOM 975 N LEU A 63 6.375 0.663 22.372 1.00 0.00 N ATOM 976 CA LEU A 63 5.338 -0.341 22.756 1.00 0.00 C ATOM 977 C LEU A 63 5.957 -1.214 23.839 1.00 0.00 C ATOM 978 O LEU A 63 5.549 -1.210 24.983 1.00 0.00 O ATOM 979 CB LEU A 63 4.987 -1.198 21.562 1.00 0.00 C ATOM 980 CG LEU A 63 4.300 -0.316 20.544 1.00 0.00 C ATOM 981 CD1 LEU A 63 5.014 -0.484 19.223 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.836 -0.729 20.419 1.00 0.00 C ATOM 0 H LEU A 63 6.619 0.694 21.382 1.00 0.00 H new ATOM 0 HA LEU A 63 4.430 0.149 23.107 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.885 -1.645 21.136 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.333 -2.018 21.860 1.00 0.00 H new ATOM 0 HG LEU A 63 4.335 0.729 20.850 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.537 0.143 18.469 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.057 -0.189 19.333 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.963 -1.527 18.912 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.340 -0.094 19.685 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.777 -1.769 20.097 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.343 -0.620 21.385 1.00 0.00 H new ATOM 994 N GLU A 64 6.987 -1.924 23.472 1.00 0.00 N ATOM 995 CA GLU A 64 7.721 -2.775 24.456 1.00 0.00 C ATOM 996 C GLU A 64 6.814 -3.840 25.077 1.00 0.00 C ATOM 997 O GLU A 64 5.622 -3.656 25.222 1.00 0.00 O ATOM 998 CB GLU A 64 8.263 -1.882 25.577 1.00 0.00 C ATOM 999 CG GLU A 64 9.603 -1.280 25.155 1.00 0.00 C ATOM 1000 CD GLU A 64 10.429 -0.948 26.401 1.00 0.00 C ATOM 1001 OE1 GLU A 64 9.868 -0.975 27.484 1.00 0.00 O ATOM 1002 OE2 GLU A 64 11.607 -0.671 26.250 1.00 0.00 O ATOM 0 H GLU A 64 7.357 -1.953 22.522 1.00 0.00 H new ATOM 0 HA GLU A 64 8.529 -3.280 23.927 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.550 -1.088 25.799 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.386 -2.464 26.491 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.146 -1.982 24.522 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.439 -0.379 24.564 1.00 0.00 H new ATOM 1009 N GLN A 65 7.405 -4.946 25.461 1.00 0.00 N ATOM 1010 CA GLN A 65 6.641 -6.057 26.107 1.00 0.00 C ATOM 1011 C GLN A 65 5.505 -5.484 26.961 1.00 0.00 C ATOM 1012 O GLN A 65 5.715 -4.616 27.782 1.00 0.00 O ATOM 1013 CB GLN A 65 7.589 -6.882 26.999 1.00 0.00 C ATOM 1014 CG GLN A 65 8.673 -5.992 27.617 1.00 0.00 C ATOM 1015 CD GLN A 65 8.133 -5.312 28.878 1.00 0.00 C ATOM 1016 OE1 GLN A 65 7.799 -4.051 28.832 1.00 0.00 O flip ATOM 1017 NE2 GLN A 65 8.018 -5.933 29.916 1.00 0.00 N flip ATOM 0 H GLN A 65 8.403 -5.127 25.351 1.00 0.00 H new ATOM 0 HA GLN A 65 6.218 -6.697 25.333 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.018 -7.369 27.790 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.054 -7.672 26.409 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.550 -6.590 27.863 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.993 -5.240 26.896 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.279 -6.918 29.952 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.661 -5.469 30.751 1.00 0.00 H new ATOM 1026 N GLN A 66 4.293 -5.940 26.762 1.00 0.00 N ATOM 1027 CA GLN A 66 3.163 -5.392 27.551 1.00 0.00 C ATOM 1028 C GLN A 66 2.850 -4.006 27.000 1.00 0.00 C ATOM 1029 O GLN A 66 3.629 -3.085 27.135 1.00 0.00 O ATOM 1030 CB GLN A 66 3.563 -5.285 29.025 1.00 0.00 C ATOM 1031 CG GLN A 66 2.309 -5.274 29.900 1.00 0.00 C ATOM 1032 CD GLN A 66 2.677 -5.680 31.326 1.00 0.00 C ATOM 1033 OE1 GLN A 66 3.242 -6.734 31.545 1.00 0.00 O ATOM 1034 NE2 GLN A 66 2.381 -4.883 32.317 1.00 0.00 N ATOM 0 H GLN A 66 4.044 -6.665 26.089 1.00 0.00 H new ATOM 0 HA GLN A 66 2.291 -6.042 27.477 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.203 -6.124 29.300 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.141 -4.376 29.190 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.860 -4.281 29.898 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.565 -5.961 29.496 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.907 -3.998 32.136 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.624 -5.145 33.272 1.00 0.00 H new ATOM 1043 N SER A 67 1.736 -3.853 26.350 1.00 0.00 N ATOM 1044 CA SER A 67 1.404 -2.533 25.761 1.00 0.00 C ATOM 1045 C SER A 67 -0.052 -2.543 25.342 1.00 0.00 C ATOM 1046 O SER A 67 -0.473 -3.367 24.559 1.00 0.00 O ATOM 1047 CB SER A 67 2.278 -2.309 24.534 1.00 0.00 C ATOM 1048 OG SER A 67 2.800 -0.987 24.555 1.00 0.00 O ATOM 0 H SER A 67 1.041 -4.585 26.201 1.00 0.00 H new ATOM 0 HA SER A 67 1.577 -1.739 26.487 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.093 -3.032 24.519 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.695 -2.466 23.626 1.00 0.00 H new ATOM 0 HG SER A 67 2.062 -0.345 24.615 1.00 0.00 H new ATOM 1054 N ILE A 68 -0.833 -1.637 25.840 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.239 -1.628 25.445 1.00 0.00 C ATOM 1056 C ILE A 68 -2.346 -0.839 24.150 1.00 0.00 C ATOM 1057 O ILE A 68 -1.944 0.305 24.060 1.00 0.00 O ATOM 1058 CB ILE A 68 -3.042 -0.999 26.573 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.625 -2.099 27.450 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -4.173 -0.179 25.989 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -2.560 -3.163 27.751 1.00 0.00 C ATOM 0 H ILE A 68 -0.552 -0.911 26.499 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.633 -2.629 25.272 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.392 -0.357 27.168 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.995 -1.672 28.382 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.477 -2.559 26.949 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.750 0.273 26.796 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.763 0.606 25.353 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.822 -0.824 25.397 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.992 -3.943 28.379 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.210 -3.602 26.817 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.721 -2.701 28.272 1.00 0.00 H new ATOM 1073 N VAL A 69 -2.845 -1.471 23.137 1.00 0.00 N ATOM 1074 CA VAL A 69 -2.950 -0.820 21.816 1.00 0.00 C ATOM 1075 C VAL A 69 -4.424 -0.711 21.424 1.00 0.00 C ATOM 1076 O VAL A 69 -5.271 -1.375 21.980 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.210 -1.670 20.784 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -0.935 -0.936 20.361 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.835 -3.018 21.404 1.00 0.00 C ATOM 0 H VAL A 69 -3.191 -2.430 23.170 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.510 0.177 21.856 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.850 -1.837 19.917 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.398 -1.534 19.624 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.198 0.028 19.925 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.300 -0.779 21.233 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.307 -3.623 20.667 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.191 -2.855 22.268 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.740 -3.538 21.720 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.741 0.111 20.471 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.157 0.248 20.051 1.00 0.00 C ATOM 1091 C HIS A 70 -6.283 -0.176 18.586 1.00 0.00 C ATOM 1092 O HIS A 70 -5.838 0.514 17.691 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.588 1.710 20.200 1.00 0.00 C ATOM 1094 CG HIS A 70 -8.048 1.844 19.870 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -8.617 3.056 19.511 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -9.069 0.927 19.840 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -9.925 2.837 19.282 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -10.253 1.556 19.468 1.00 0.00 N ATOM 0 H HIS A 70 -4.078 0.696 19.962 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.793 -0.382 20.672 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.403 2.052 21.218 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.996 2.343 19.539 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.969 -0.123 20.070 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.624 3.604 18.984 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.174 1.130 19.360 1.00 0.00 H new ATOM 1106 N ILE A 71 -6.883 -1.303 18.337 1.00 0.00 N ATOM 1107 CA ILE A 71 -7.038 -1.773 16.945 1.00 0.00 C ATOM 1108 C ILE A 71 -8.253 -1.088 16.313 1.00 0.00 C ATOM 1109 O ILE A 71 -9.267 -0.880 16.952 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.175 -3.299 16.944 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.607 -3.695 16.676 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.695 -3.895 18.264 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.713 -4.015 15.195 1.00 0.00 C ATOM 0 H ILE A 71 -7.275 -1.921 19.048 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.162 -1.514 16.350 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.545 -3.696 16.148 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.886 -4.560 17.278 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.287 -2.887 16.945 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.804 -4.979 18.235 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.647 -3.640 18.419 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.291 -3.493 19.083 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.736 -4.307 14.958 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.443 -3.134 14.612 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.036 -4.834 14.950 1.00 0.00 H new ATOM 1125 N VAL A 72 -8.158 -0.720 15.069 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.305 -0.044 14.405 1.00 0.00 C ATOM 1127 C VAL A 72 -9.436 -0.569 12.972 1.00 0.00 C ATOM 1128 O VAL A 72 -8.468 -0.665 12.244 1.00 0.00 O ATOM 1129 CB VAL A 72 -9.069 1.469 14.384 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -10.260 2.158 13.717 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -8.923 1.984 15.819 1.00 0.00 C ATOM 0 H VAL A 72 -7.335 -0.858 14.482 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.223 -0.253 14.955 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.159 1.687 13.825 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.095 3.235 13.701 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.367 1.792 12.696 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.168 1.939 14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.755 3.061 15.804 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.833 1.767 16.378 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.077 1.492 16.298 1.00 0.00 H new ATOM 1141 N GLN A 73 -10.626 -0.922 12.564 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.815 -1.450 11.182 1.00 0.00 C ATOM 1143 C GLN A 73 -11.541 -0.408 10.326 1.00 0.00 C ATOM 1144 O GLN A 73 -12.667 -0.046 10.599 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.649 -2.732 11.243 1.00 0.00 C ATOM 1146 CG GLN A 73 -11.806 -3.313 9.837 1.00 0.00 C ATOM 1147 CD GLN A 73 -13.032 -4.226 9.797 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -13.766 -4.237 8.828 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -13.288 -4.997 10.819 1.00 0.00 N ATOM 0 H GLN A 73 -11.474 -0.868 13.128 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.843 -1.664 10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.167 -3.460 11.896 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.629 -2.520 11.671 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.914 -2.509 9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.913 -3.874 9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.672 -4.988 11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.104 -5.609 10.805 1.00 0.00 H new ATOM 1158 N ARG A 74 -10.909 0.075 9.288 1.00 0.00 N ATOM 1159 CA ARG A 74 -11.573 1.090 8.417 1.00 0.00 C ATOM 1160 C ARG A 74 -12.985 0.600 8.063 1.00 0.00 C ATOM 1161 O ARG A 74 -13.133 -0.394 7.379 1.00 0.00 O ATOM 1162 CB ARG A 74 -10.754 1.267 7.135 1.00 0.00 C ATOM 1163 CG ARG A 74 -9.716 2.374 7.336 1.00 0.00 C ATOM 1164 CD ARG A 74 -9.685 3.273 6.099 1.00 0.00 C ATOM 1165 NE ARG A 74 -8.906 4.507 6.397 1.00 0.00 N ATOM 1166 CZ ARG A 74 -9.394 5.403 7.209 1.00 0.00 C ATOM 1167 NH1 ARG A 74 -10.578 5.908 6.987 1.00 0.00 N ATOM 1168 NH2 ARG A 74 -8.700 5.797 8.241 1.00 0.00 N ATOM 0 H ARG A 74 -9.965 -0.188 9.006 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.638 2.044 8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.257 0.332 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.412 1.519 6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.962 2.962 8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.732 1.938 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.235 2.740 5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.701 3.535 5.802 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.992 4.651 5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.120 5.601 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.961 6.609 7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.775 5.404 8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.083 6.498 8.875 1.00 0.00 H new ATOM 1182 N PRO A 75 -13.986 1.300 8.544 1.00 0.00 N ATOM 1183 CA PRO A 75 -15.389 0.937 8.295 1.00 0.00 C ATOM 1184 C PRO A 75 -15.831 1.336 6.895 1.00 0.00 C ATOM 1185 O PRO A 75 -15.656 2.463 6.474 1.00 0.00 O ATOM 1186 CB PRO A 75 -16.175 1.733 9.331 1.00 0.00 C ATOM 1187 CG PRO A 75 -15.266 2.902 9.751 1.00 0.00 C ATOM 1188 CD PRO A 75 -13.822 2.511 9.369 1.00 0.00 C ATOM 0 HA PRO A 75 -15.544 -0.139 8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.112 2.099 8.912 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -16.431 1.111 10.189 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -15.563 3.822 9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -15.345 3.086 10.822 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.326 3.308 8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.215 2.313 10.253 1.00 0.00 H new ATOM 1196 N ARG A 76 -16.454 0.441 6.186 1.00 0.00 N ATOM 1197 CA ARG A 76 -16.954 0.811 4.844 1.00 0.00 C ATOM 1198 C ARG A 76 -17.959 1.926 5.085 1.00 0.00 C ATOM 1199 O ARG A 76 -18.331 2.171 6.212 1.00 0.00 O ATOM 1200 CB ARG A 76 -17.643 -0.393 4.196 1.00 0.00 C ATOM 1201 CG ARG A 76 -16.589 -1.320 3.591 1.00 0.00 C ATOM 1202 CD ARG A 76 -16.112 -0.745 2.256 1.00 0.00 C ATOM 1203 NE ARG A 76 -14.625 -0.815 2.187 1.00 0.00 N ATOM 1204 CZ ARG A 76 -14.006 -0.489 1.086 1.00 0.00 C ATOM 1205 NH1 ARG A 76 -13.957 0.760 0.709 1.00 0.00 N ATOM 1206 NH2 ARG A 76 -13.431 -1.411 0.366 1.00 0.00 N ATOM 0 H ARG A 76 -16.636 -0.520 6.476 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.151 1.126 4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -18.232 -0.931 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -18.334 -0.057 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.747 -1.427 4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.007 -2.316 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.552 -1.304 1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.443 0.288 2.154 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.091 -1.118 3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.403 1.482 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.473 1.014 -0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.465 -2.386 0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.947 -1.157 -0.495 1.00 0.00 H new ATOM 1220 N ARG A 77 -18.397 2.625 4.084 1.00 0.00 N ATOM 1221 CA ARG A 77 -19.361 3.720 4.369 1.00 0.00 C ATOM 1222 C ARG A 77 -20.560 3.135 5.117 1.00 0.00 C ATOM 1223 O ARG A 77 -21.510 2.675 4.517 1.00 0.00 O ATOM 1224 CB ARG A 77 -19.838 4.346 3.055 1.00 0.00 C ATOM 1225 CG ARG A 77 -18.702 5.153 2.421 1.00 0.00 C ATOM 1226 CD ARG A 77 -18.068 6.062 3.475 1.00 0.00 C ATOM 1227 NE ARG A 77 -16.867 5.392 4.045 1.00 0.00 N ATOM 1228 CZ ARG A 77 -16.342 5.823 5.158 1.00 0.00 C ATOM 1229 NH1 ARG A 77 -17.072 5.903 6.235 1.00 0.00 N ATOM 1230 NH2 ARG A 77 -15.085 6.175 5.192 1.00 0.00 N ATOM 0 H ARG A 77 -18.140 2.494 3.106 1.00 0.00 H new ATOM 0 HA ARG A 77 -18.878 4.487 4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -20.169 3.566 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.696 4.992 3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.951 4.480 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -19.085 5.751 1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.789 7.016 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.787 6.278 4.265 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.454 4.593 3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.054 5.628 6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.661 6.240 7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.515 6.113 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.673 6.512 6.062 1.00 0.00 H new ATOM 1244 N ARG A 78 -20.526 3.145 6.428 1.00 0.00 N ATOM 1245 CA ARG A 78 -21.670 2.584 7.199 1.00 0.00 C ATOM 1246 C ARG A 78 -22.929 3.404 6.911 1.00 0.00 C ATOM 1247 O ARG A 78 -23.263 4.246 7.726 1.00 0.00 O ATOM 1248 CB ARG A 78 -21.354 2.638 8.695 1.00 0.00 C ATOM 1249 CG ARG A 78 -22.635 2.407 9.499 1.00 0.00 C ATOM 1250 CD ARG A 78 -22.995 3.685 10.259 1.00 0.00 C ATOM 1251 NE ARG A 78 -22.744 3.486 11.715 1.00 0.00 N ATOM 1252 CZ ARG A 78 -23.585 2.794 12.435 1.00 0.00 C ATOM 1253 NH1 ARG A 78 -24.638 3.374 12.944 1.00 0.00 N ATOM 1254 NH2 ARG A 78 -23.373 1.524 12.647 1.00 0.00 N ATOM 1255 OXT ARG A 78 -23.538 3.175 5.877 1.00 0.00 O ATOM 0 H ARG A 78 -19.760 3.515 6.990 1.00 0.00 H new ATOM 0 HA ARG A 78 -21.836 1.548 6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.612 1.880 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.921 3.605 8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -23.450 2.125 8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -22.495 1.582 10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -22.402 4.521 9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -24.042 3.938 10.091 1.00 0.00 H new ATOM 0 HE ARG A 78 -21.914 3.891 12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -24.803 4.367 12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -25.296 2.834 13.507 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -22.550 1.071 12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -24.031 0.984 13.210 1.00 0.00 H new TER 1269 ARG A 78