USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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 105 SER OG : rot -99:sc= 1.38 USER MOD Set 1.2: A 108 THR OG1 : rot 35:sc= -0.757! USER MOD Set 1.3: A 163 ASN : amide:sc= 0.622 K(o=1.2,f=-2.4!) USER MOD Set 2.1: A 116 TYR OH : rot -176:sc= 0.565 USER MOD Set 2.2: A 160 HIS : no HD1:sc= -6.21! C(o=-5.6!,f=-10!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -127:sc= -12! (180deg=-17.1!) USER MOD Single : A 109 THR OG1 : rot -23:sc= 0.592 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0158) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 71:sc= 0.0321 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot -135:sc= -3.33! USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 LYS NZ :NH3+ -122:sc= -0.0238 (180deg=-0.392) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 48:sc= -0.0813 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl 172:sc= -1.02 (180deg=-1.12) USER MOD Single : A 157 GLN : amide:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 77.229 -6.743 2.959 1.00 0.00 N ATOM 2 CA LYS A 98 76.932 -5.649 1.990 1.00 0.00 C ATOM 3 C LYS A 98 75.558 -5.865 1.350 1.00 0.00 C ATOM 4 O LYS A 98 75.165 -6.978 1.060 1.00 0.00 O ATOM 5 CB LYS A 98 78.036 -5.741 0.935 1.00 0.00 C ATOM 6 CG LYS A 98 79.404 -5.668 1.619 1.00 0.00 C ATOM 7 CD LYS A 98 80.495 -6.083 0.629 1.00 0.00 C ATOM 8 CE LYS A 98 81.062 -4.841 -0.062 1.00 0.00 C ATOM 9 NZ LYS A 98 82.478 -4.762 0.392 1.00 0.00 N ATOM 0 HA LYS A 98 76.908 -4.670 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.945 -6.674 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.934 -4.929 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.589 -4.655 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 98 79.422 -6.322 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 98 81.290 -6.616 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 98 80.085 -6.769 -0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 98 80.999 -4.929 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 98 80.507 -3.945 0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 82.935 -3.934 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 82.506 -4.672 1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 82.983 -5.625 0.106 1.00 0.00 H new ATOM 23 N MET A 99 74.828 -4.808 1.125 1.00 0.00 N ATOM 24 CA MET A 99 73.479 -4.946 0.501 1.00 0.00 C ATOM 25 C MET A 99 73.238 -3.799 -0.482 1.00 0.00 C ATOM 26 O MET A 99 73.996 -2.851 -0.547 1.00 0.00 O ATOM 27 CB MET A 99 72.473 -4.882 1.657 1.00 0.00 C ATOM 28 CG MET A 99 72.968 -3.916 2.737 1.00 0.00 C ATOM 29 SD MET A 99 71.714 -3.773 4.031 1.00 0.00 S ATOM 30 CE MET A 99 70.788 -2.414 3.281 1.00 0.00 C ATOM 0 H MET A 99 75.107 -3.852 1.346 1.00 0.00 H new ATOM 0 HA MET A 99 73.384 -5.878 -0.057 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.501 -4.556 1.285 1.00 0.00 H new ATOM 0 HB3 MET A 99 72.335 -5.876 2.083 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.905 -4.276 3.161 1.00 0.00 H new ATOM 0 HG3 MET A 99 73.170 -2.938 2.301 1.00 0.00 H new ATOM 0 HE1 MET A 99 70.679 -1.605 4.004 1.00 0.00 H new ATOM 0 HE2 MET A 99 71.324 -2.048 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.802 -2.768 2.981 1.00 0.00 H new ATOM 40 N PHE A 100 72.190 -3.882 -1.255 1.00 0.00 N ATOM 41 CA PHE A 100 71.904 -2.804 -2.243 1.00 0.00 C ATOM 42 C PHE A 100 70.625 -2.052 -1.861 1.00 0.00 C ATOM 43 O PHE A 100 69.667 -2.630 -1.388 1.00 0.00 O ATOM 44 CB PHE A 100 71.726 -3.543 -3.573 1.00 0.00 C ATOM 45 CG PHE A 100 71.536 -2.559 -4.706 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.438 -1.686 -4.723 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.470 -2.521 -5.745 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.282 -0.779 -5.778 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.313 -1.616 -6.799 1.00 0.00 C ATOM 50 CZ PHE A 100 71.221 -0.745 -6.816 1.00 0.00 C ATOM 0 H PHE A 100 71.519 -4.650 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 100 72.697 -2.057 -2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.598 -4.167 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.865 -4.208 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 100 69.713 -1.714 -3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.316 -3.193 -5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 100 69.438 -0.106 -5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.036 -1.590 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.101 -0.045 -7.630 1.00 0.00 H new ATOM 60 N ILE A 101 70.604 -0.767 -2.071 1.00 0.00 N ATOM 61 CA ILE A 101 69.390 0.036 -1.732 1.00 0.00 C ATOM 62 C ILE A 101 69.019 0.930 -2.919 1.00 0.00 C ATOM 63 O ILE A 101 69.605 1.973 -3.129 1.00 0.00 O ATOM 64 CB ILE A 101 69.797 0.875 -0.520 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.572 -0.002 0.469 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.546 1.421 0.163 1.00 0.00 C ATOM 67 CD1 ILE A 101 69.694 -1.178 0.902 1.00 0.00 C ATOM 0 H ILE A 101 71.378 -0.232 -2.465 1.00 0.00 H new ATOM 0 HA ILE A 101 68.520 -0.583 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 101 70.426 1.703 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.488 -0.369 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.867 0.585 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.835 2.019 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.990 2.042 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 101 67.918 0.592 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.244 -1.803 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 101 68.791 -0.801 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 101 69.421 -1.769 0.028 1.00 0.00 H new ATOM 79 N GLY A 102 68.063 0.518 -3.710 1.00 0.00 N ATOM 80 CA GLY A 102 67.675 1.339 -4.896 1.00 0.00 C ATOM 81 C GLY A 102 66.418 2.157 -4.595 1.00 0.00 C ATOM 82 O GLY A 102 65.441 1.651 -4.086 1.00 0.00 O ATOM 0 H GLY A 102 67.536 -0.347 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.493 2.006 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.496 0.689 -5.753 1.00 0.00 H new ATOM 86 N GLY A 103 66.436 3.421 -4.921 1.00 0.00 N ATOM 87 CA GLY A 103 65.241 4.273 -4.665 1.00 0.00 C ATOM 88 C GLY A 103 65.651 5.526 -3.890 1.00 0.00 C ATOM 89 O GLY A 103 64.870 6.095 -3.154 1.00 0.00 O ATOM 0 H GLY A 103 67.226 3.900 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 103 64.776 4.555 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.498 3.712 -4.099 1.00 0.00 H new ATOM 93 N LEU A 104 66.869 5.968 -4.049 1.00 0.00 N ATOM 94 CA LEU A 104 67.315 7.189 -3.318 1.00 0.00 C ATOM 95 C LEU A 104 66.987 8.438 -4.134 1.00 0.00 C ATOM 96 O LEU A 104 66.657 8.361 -5.301 1.00 0.00 O ATOM 97 CB LEU A 104 68.832 7.040 -3.175 1.00 0.00 C ATOM 98 CG LEU A 104 69.166 6.181 -1.952 1.00 0.00 C ATOM 99 CD1 LEU A 104 68.424 6.713 -0.724 1.00 0.00 C ATOM 100 CD2 LEU A 104 68.745 4.733 -2.213 1.00 0.00 C ATOM 0 H LEU A 104 67.572 5.539 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 104 66.820 7.291 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.246 6.583 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.293 8.022 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 104 70.240 6.222 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 104 68.666 6.097 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 104 68.727 7.743 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 104 67.350 6.678 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 104 68.983 4.122 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 104 67.672 4.694 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.280 4.350 -3.082 1.00 0.00 H new ATOM 112 N SER A 105 67.083 9.589 -3.533 1.00 0.00 N ATOM 113 CA SER A 105 66.784 10.844 -4.278 1.00 0.00 C ATOM 114 C SER A 105 68.053 11.354 -4.969 1.00 0.00 C ATOM 115 O SER A 105 69.144 11.235 -4.446 1.00 0.00 O ATOM 116 CB SER A 105 66.313 11.833 -3.213 1.00 0.00 C ATOM 117 OG SER A 105 67.431 12.556 -2.714 1.00 0.00 O ATOM 0 H SER A 105 67.355 9.716 -2.558 1.00 0.00 H new ATOM 0 HA SER A 105 66.033 10.701 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.581 12.520 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 105 65.817 11.301 -2.401 1.00 0.00 H new ATOM 0 HG SER A 105 67.721 12.164 -1.864 1.00 0.00 H new ATOM 123 N TRP A 106 67.922 11.925 -6.135 1.00 0.00 N ATOM 124 CA TRP A 106 69.127 12.442 -6.852 1.00 0.00 C ATOM 125 C TRP A 106 70.022 13.233 -5.892 1.00 0.00 C ATOM 126 O TRP A 106 71.197 13.409 -6.133 1.00 0.00 O ATOM 127 CB TRP A 106 68.576 13.346 -7.955 1.00 0.00 C ATOM 128 CG TRP A 106 68.001 12.499 -9.044 1.00 0.00 C ATOM 129 CD1 TRP A 106 68.718 11.882 -10.011 1.00 0.00 C ATOM 130 CD2 TRP A 106 66.605 12.162 -9.292 1.00 0.00 C ATOM 131 NE1 TRP A 106 67.852 11.186 -10.835 1.00 0.00 N ATOM 132 CE2 TRP A 106 66.539 11.329 -10.433 1.00 0.00 C ATOM 133 CE3 TRP A 106 65.403 12.495 -8.642 1.00 0.00 C ATOM 134 CZ2 TRP A 106 65.322 10.843 -10.914 1.00 0.00 C ATOM 135 CZ3 TRP A 106 64.176 12.008 -9.124 1.00 0.00 C ATOM 136 CH2 TRP A 106 64.136 11.183 -10.257 1.00 0.00 C ATOM 0 H TRP A 106 67.036 12.057 -6.623 1.00 0.00 H new ATOM 0 HA TRP A 106 69.742 11.639 -7.258 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.810 14.008 -7.550 1.00 0.00 H new ATOM 0 HB3 TRP A 106 69.369 13.980 -8.352 1.00 0.00 H new ATOM 0 HD1 TRP A 106 69.791 11.926 -10.122 1.00 0.00 H new ATOM 0 HE1 TRP A 106 68.147 10.635 -11.641 1.00 0.00 H new ATOM 0 HE3 TRP A 106 65.423 13.129 -7.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 65.297 10.209 -11.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 63.258 12.271 -8.619 1.00 0.00 H new ATOM 0 HH2 TRP A 106 63.190 10.811 -10.622 1.00 0.00 H new ATOM 147 N ASP A 107 69.483 13.712 -4.804 1.00 0.00 N ATOM 148 CA ASP A 107 70.321 14.481 -3.839 1.00 0.00 C ATOM 149 C ASP A 107 70.477 13.694 -2.533 1.00 0.00 C ATOM 150 O ASP A 107 70.356 14.238 -1.453 1.00 0.00 O ATOM 151 CB ASP A 107 69.555 15.782 -3.596 1.00 0.00 C ATOM 152 CG ASP A 107 70.549 16.929 -3.403 1.00 0.00 C ATOM 153 OD1 ASP A 107 71.655 16.818 -3.903 1.00 0.00 O ATOM 154 OD2 ASP A 107 70.185 17.900 -2.758 1.00 0.00 O ATOM 0 H ASP A 107 68.503 13.605 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 107 71.325 14.667 -4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 107 68.898 15.993 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.920 15.684 -2.715 1.00 0.00 H new ATOM 159 N THR A 108 70.744 12.415 -2.621 1.00 0.00 N ATOM 160 CA THR A 108 70.906 11.600 -1.380 1.00 0.00 C ATOM 161 C THR A 108 72.368 11.583 -0.931 1.00 0.00 C ATOM 162 O THR A 108 73.260 11.979 -1.656 1.00 0.00 O ATOM 163 CB THR A 108 70.447 10.188 -1.753 1.00 0.00 C ATOM 164 OG1 THR A 108 69.099 10.231 -2.198 1.00 0.00 O ATOM 165 CG2 THR A 108 70.552 9.283 -0.525 1.00 0.00 C ATOM 0 H THR A 108 70.856 11.902 -3.496 1.00 0.00 H new ATOM 0 HA THR A 108 70.326 12.010 -0.553 1.00 0.00 H new ATOM 0 HB THR A 108 71.078 9.796 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.941 11.069 -2.681 1.00 0.00 H new ATOM 0 HG21 THR A 108 70.226 8.276 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 108 71.587 9.252 -0.183 1.00 0.00 H new ATOM 0 HG23 THR A 108 69.918 9.675 0.271 1.00 0.00 H new ATOM 173 N THR A 109 72.618 11.120 0.263 1.00 0.00 N ATOM 174 CA THR A 109 74.017 11.067 0.774 1.00 0.00 C ATOM 175 C THR A 109 74.193 9.848 1.682 1.00 0.00 C ATOM 176 O THR A 109 73.256 9.394 2.309 1.00 0.00 O ATOM 177 CB THR A 109 74.193 12.353 1.583 1.00 0.00 C ATOM 178 OG1 THR A 109 73.201 12.408 2.600 1.00 0.00 O ATOM 179 CG2 THR A 109 74.055 13.565 0.663 1.00 0.00 C ATOM 0 H THR A 109 71.909 10.774 0.910 1.00 0.00 H new ATOM 0 HA THR A 109 74.748 10.985 -0.030 1.00 0.00 H new ATOM 0 HB THR A 109 75.183 12.363 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.441 11.844 2.346 1.00 0.00 H new ATOM 0 HG21 THR A 109 74.181 14.479 1.244 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.818 13.521 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 109 73.067 13.561 0.202 1.00 0.00 H new ATOM 187 N LYS A 110 75.382 9.320 1.770 1.00 0.00 N ATOM 188 CA LYS A 110 75.594 8.139 2.652 1.00 0.00 C ATOM 189 C LYS A 110 75.325 8.534 4.109 1.00 0.00 C ATOM 190 O LYS A 110 75.226 7.696 4.982 1.00 0.00 O ATOM 191 CB LYS A 110 77.064 7.737 2.443 1.00 0.00 C ATOM 192 CG LYS A 110 77.975 8.535 3.384 1.00 0.00 C ATOM 193 CD LYS A 110 79.365 8.675 2.759 1.00 0.00 C ATOM 194 CE LYS A 110 80.351 9.189 3.813 1.00 0.00 C ATOM 195 NZ LYS A 110 80.169 10.668 3.824 1.00 0.00 N ATOM 0 H LYS A 110 76.209 9.652 1.274 1.00 0.00 H new ATOM 0 HA LYS A 110 74.925 7.311 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.186 6.670 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.353 7.917 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.548 9.521 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 110 78.048 8.032 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.700 7.713 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.328 9.363 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.142 8.758 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 110 81.376 8.920 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 80.812 11.092 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 80.382 11.051 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 79.186 10.895 4.076 1.00 0.00 H new ATOM 209 N LYS A 111 75.209 9.808 4.373 1.00 0.00 N ATOM 210 CA LYS A 111 74.950 10.265 5.768 1.00 0.00 C ATOM 211 C LYS A 111 73.468 10.105 6.119 1.00 0.00 C ATOM 212 O LYS A 111 73.122 9.451 7.084 1.00 0.00 O ATOM 213 CB LYS A 111 75.351 11.741 5.783 1.00 0.00 C ATOM 214 CG LYS A 111 76.699 11.896 6.490 1.00 0.00 C ATOM 215 CD LYS A 111 76.517 12.724 7.765 1.00 0.00 C ATOM 216 CE LYS A 111 77.544 13.859 7.787 1.00 0.00 C ATOM 217 NZ LYS A 111 76.995 14.891 6.863 1.00 0.00 N ATOM 0 H LYS A 111 75.283 10.553 3.680 1.00 0.00 H new ATOM 0 HA LYS A 111 75.509 9.683 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.417 12.121 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.590 12.330 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 111 77.107 10.916 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.415 12.382 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.507 13.132 7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.640 12.091 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 111 77.671 14.257 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 111 78.523 13.513 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 77.741 15.204 6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 76.206 14.486 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 76.654 15.704 7.414 1.00 0.00 H new ATOM 231 N ASP A 112 72.590 10.692 5.352 1.00 0.00 N ATOM 232 CA ASP A 112 71.137 10.560 5.663 1.00 0.00 C ATOM 233 C ASP A 112 70.707 9.094 5.539 1.00 0.00 C ATOM 234 O ASP A 112 69.893 8.609 6.301 1.00 0.00 O ATOM 235 CB ASP A 112 70.420 11.442 4.632 1.00 0.00 C ATOM 236 CG ASP A 112 70.218 10.673 3.325 1.00 0.00 C ATOM 237 OD1 ASP A 112 69.498 9.688 3.345 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.783 11.083 2.327 1.00 0.00 O ATOM 0 H ASP A 112 72.813 11.253 4.530 1.00 0.00 H new ATOM 0 HA ASP A 112 70.898 10.870 6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.456 11.763 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 112 71.004 12.343 4.445 1.00 0.00 H new ATOM 243 N LEU A 113 71.253 8.384 4.588 1.00 0.00 N ATOM 244 CA LEU A 113 70.883 6.949 4.423 1.00 0.00 C ATOM 245 C LEU A 113 71.519 6.120 5.539 1.00 0.00 C ATOM 246 O LEU A 113 70.880 5.282 6.145 1.00 0.00 O ATOM 247 CB LEU A 113 71.447 6.543 3.060 1.00 0.00 C ATOM 248 CG LEU A 113 70.972 5.133 2.710 1.00 0.00 C ATOM 249 CD1 LEU A 113 69.730 5.220 1.822 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.083 4.391 1.963 1.00 0.00 C ATOM 0 H LEU A 113 71.938 8.735 3.919 1.00 0.00 H new ATOM 0 HA LEU A 113 69.806 6.788 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.121 7.248 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.536 6.576 3.081 1.00 0.00 H new ATOM 0 HG LEU A 113 70.727 4.594 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.390 4.215 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 113 68.939 5.748 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.974 5.759 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 113 71.745 3.385 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.328 4.929 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 113 72.968 4.329 2.596 1.00 0.00 H new ATOM 262 N LYS A 114 72.771 6.352 5.821 1.00 0.00 N ATOM 263 CA LYS A 114 73.441 5.582 6.905 1.00 0.00 C ATOM 264 C LYS A 114 72.671 5.764 8.213 1.00 0.00 C ATOM 265 O LYS A 114 72.509 4.840 8.987 1.00 0.00 O ATOM 266 CB LYS A 114 74.843 6.183 7.014 1.00 0.00 C ATOM 267 CG LYS A 114 75.534 5.643 8.268 1.00 0.00 C ATOM 268 CD LYS A 114 77.024 5.441 7.980 1.00 0.00 C ATOM 269 CE LYS A 114 77.839 6.482 8.749 1.00 0.00 C ATOM 270 NZ LYS A 114 79.145 6.556 8.036 1.00 0.00 N ATOM 0 H LYS A 114 73.358 7.040 5.349 1.00 0.00 H new ATOM 0 HA LYS A 114 73.479 4.512 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.427 5.933 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.782 7.270 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.404 6.339 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 114 75.079 4.699 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.329 4.436 8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 114 77.214 5.533 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 114 77.337 7.450 8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 114 77.974 6.187 9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 79.759 7.251 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 79.603 5.622 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 78.986 6.846 7.050 1.00 0.00 H new ATOM 284 N ASP A 115 72.185 6.950 8.463 1.00 0.00 N ATOM 285 CA ASP A 115 71.418 7.183 9.718 1.00 0.00 C ATOM 286 C ASP A 115 70.041 6.547 9.604 1.00 0.00 C ATOM 287 O ASP A 115 69.630 5.798 10.467 1.00 0.00 O ATOM 288 CB ASP A 115 71.315 8.702 9.857 1.00 0.00 C ATOM 289 CG ASP A 115 72.689 9.276 10.209 1.00 0.00 C ATOM 290 OD1 ASP A 115 73.467 8.564 10.823 1.00 0.00 O ATOM 291 OD2 ASP A 115 72.940 10.417 9.858 1.00 0.00 O ATOM 0 H ASP A 115 72.286 7.763 7.855 1.00 0.00 H new ATOM 0 HA ASP A 115 71.901 6.741 10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 115 70.954 9.139 8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.592 8.959 10.631 1.00 0.00 H new ATOM 296 N TYR A 116 69.332 6.801 8.543 1.00 0.00 N ATOM 297 CA TYR A 116 68.004 6.153 8.402 1.00 0.00 C ATOM 298 C TYR A 116 68.165 4.670 8.707 1.00 0.00 C ATOM 299 O TYR A 116 67.282 4.025 9.238 1.00 0.00 O ATOM 300 CB TYR A 116 67.606 6.337 6.945 1.00 0.00 C ATOM 301 CG TYR A 116 66.378 5.507 6.679 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.117 6.021 6.984 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.500 4.224 6.132 1.00 0.00 C ATOM 304 CE1 TYR A 116 63.971 5.255 6.740 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.355 3.457 5.886 1.00 0.00 C ATOM 306 CZ TYR A 116 64.089 3.973 6.189 1.00 0.00 C ATOM 307 OH TYR A 116 62.960 3.218 5.947 1.00 0.00 O ATOM 0 H TYR A 116 69.609 7.418 7.780 1.00 0.00 H new ATOM 0 HA TYR A 116 67.256 6.575 9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.406 7.388 6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.420 6.031 6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.025 7.010 7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.477 3.826 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 116 62.995 5.653 6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.448 2.468 5.463 1.00 0.00 H new ATOM 0 HH TYR A 116 63.223 2.331 5.623 1.00 0.00 H new ATOM 317 N PHE A 117 69.304 4.126 8.367 1.00 0.00 N ATOM 318 CA PHE A 117 69.545 2.686 8.624 1.00 0.00 C ATOM 319 C PHE A 117 70.194 2.475 9.995 1.00 0.00 C ATOM 320 O PHE A 117 70.265 1.369 10.493 1.00 0.00 O ATOM 321 CB PHE A 117 70.460 2.226 7.491 1.00 0.00 C ATOM 322 CG PHE A 117 69.613 1.945 6.272 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.546 1.041 6.359 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.881 2.595 5.062 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.750 0.786 5.236 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.085 2.340 3.937 1.00 0.00 C ATOM 327 CZ PHE A 117 68.019 1.436 4.025 1.00 0.00 C ATOM 0 H PHE A 117 70.076 4.622 7.922 1.00 0.00 H new ATOM 0 HA PHE A 117 68.618 2.113 8.646 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.201 2.993 7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.007 1.331 7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.338 0.541 7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.702 3.294 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 117 66.929 0.088 5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.294 2.840 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.404 1.240 3.159 1.00 0.00 H new ATOM 337 N SER A 118 70.654 3.522 10.618 1.00 0.00 N ATOM 338 CA SER A 118 71.274 3.365 11.963 1.00 0.00 C ATOM 339 C SER A 118 70.212 2.875 12.951 1.00 0.00 C ATOM 340 O SER A 118 70.516 2.441 14.044 1.00 0.00 O ATOM 341 CB SER A 118 71.764 4.762 12.346 1.00 0.00 C ATOM 342 OG SER A 118 73.163 4.851 12.104 1.00 0.00 O ATOM 0 H SER A 118 70.628 4.476 10.257 1.00 0.00 H new ATOM 0 HA SER A 118 72.090 2.643 11.971 1.00 0.00 H new ATOM 0 HB2 SER A 118 71.234 5.518 11.766 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.552 4.959 13.397 1.00 0.00 H new ATOM 0 HG SER A 118 73.327 4.869 11.138 1.00 0.00 H new ATOM 348 N LYS A 119 68.963 2.936 12.564 1.00 0.00 N ATOM 349 CA LYS A 119 67.873 2.469 13.468 1.00 0.00 C ATOM 350 C LYS A 119 67.761 0.942 13.402 1.00 0.00 C ATOM 351 O LYS A 119 67.120 0.319 14.226 1.00 0.00 O ATOM 352 CB LYS A 119 66.600 3.123 12.928 1.00 0.00 C ATOM 353 CG LYS A 119 66.580 4.603 13.314 1.00 0.00 C ATOM 354 CD LYS A 119 66.154 5.440 12.106 1.00 0.00 C ATOM 355 CE LYS A 119 64.673 5.807 12.236 1.00 0.00 C ATOM 356 NZ LYS A 119 64.649 7.078 13.017 1.00 0.00 N ATOM 0 H LYS A 119 68.652 3.290 11.659 1.00 0.00 H new ATOM 0 HA LYS A 119 68.054 2.735 14.510 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.557 3.019 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 119 65.721 2.620 13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.891 4.764 14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 119 67.567 4.914 13.655 1.00 0.00 H new ATOM 0 HD2 LYS A 119 66.760 6.344 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 119 66.322 4.881 11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 119 64.213 5.939 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 119 64.116 5.021 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 63.665 7.389 13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 65.086 6.922 13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 65.180 7.811 12.504 1.00 0.00 H new ATOM 370 N PHE A 120 68.391 0.335 12.432 1.00 0.00 N ATOM 371 CA PHE A 120 68.332 -1.151 12.318 1.00 0.00 C ATOM 372 C PHE A 120 69.475 -1.769 13.120 1.00 0.00 C ATOM 373 O PHE A 120 69.267 -2.471 14.090 1.00 0.00 O ATOM 374 CB PHE A 120 68.525 -1.454 10.830 1.00 0.00 C ATOM 375 CG PHE A 120 67.412 -0.838 10.011 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.439 0.528 9.708 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.367 -1.639 9.537 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.421 1.096 8.933 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.349 -1.072 8.759 1.00 0.00 C ATOM 380 CZ PHE A 120 65.378 0.296 8.457 1.00 0.00 C ATOM 0 H PHE A 120 68.944 0.804 11.714 1.00 0.00 H new ATOM 0 HA PHE A 120 67.394 -1.555 12.698 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.487 -1.065 10.496 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.545 -2.532 10.673 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.247 1.145 10.073 1.00 0.00 H new ATOM 0 HD2 PHE A 120 66.345 -2.693 9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.441 2.151 8.703 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.542 -1.689 8.392 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.594 0.733 7.856 1.00 0.00 H new ATOM 390 N GLY A 121 70.683 -1.503 12.714 1.00 0.00 N ATOM 391 CA GLY A 121 71.862 -2.056 13.434 1.00 0.00 C ATOM 392 C GLY A 121 73.056 -1.125 13.223 1.00 0.00 C ATOM 393 O GLY A 121 72.919 -0.035 12.703 1.00 0.00 O ATOM 0 H GLY A 121 70.906 -0.921 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.643 -2.152 14.497 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.094 -3.055 13.065 1.00 0.00 H new ATOM 397 N GLU A 122 74.226 -1.542 13.618 1.00 0.00 N ATOM 398 CA GLU A 122 75.424 -0.672 13.435 1.00 0.00 C ATOM 399 C GLU A 122 76.008 -0.863 12.033 1.00 0.00 C ATOM 400 O GLU A 122 76.405 -1.946 11.658 1.00 0.00 O ATOM 401 CB GLU A 122 76.417 -1.140 14.500 1.00 0.00 C ATOM 402 CG GLU A 122 76.096 -0.458 15.830 1.00 0.00 C ATOM 403 CD GLU A 122 76.921 0.825 15.960 1.00 0.00 C ATOM 404 OE1 GLU A 122 78.084 0.798 15.592 1.00 0.00 O ATOM 405 OE2 GLU A 122 76.375 1.812 16.423 1.00 0.00 O ATOM 0 H GLU A 122 74.406 -2.444 14.058 1.00 0.00 H new ATOM 0 HA GLU A 122 75.186 0.387 13.536 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.363 -2.223 14.612 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.435 -0.901 14.193 1.00 0.00 H new ATOM 0 HG2 GLU A 122 75.032 -0.226 15.884 1.00 0.00 H new ATOM 0 HG3 GLU A 122 76.318 -1.131 16.658 1.00 0.00 H new ATOM 412 N VAL A 123 76.063 0.183 11.254 1.00 0.00 N ATOM 413 CA VAL A 123 76.625 0.063 9.878 1.00 0.00 C ATOM 414 C VAL A 123 78.108 0.419 9.859 1.00 0.00 C ATOM 415 O VAL A 123 78.520 1.460 10.331 1.00 0.00 O ATOM 416 CB VAL A 123 75.813 1.048 9.021 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.682 1.648 7.907 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.667 0.292 8.363 1.00 0.00 C ATOM 0 H VAL A 123 75.743 1.117 11.511 1.00 0.00 H new ATOM 0 HA VAL A 123 76.553 -0.957 9.501 1.00 0.00 H new ATOM 0 HB VAL A 123 75.447 1.848 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.086 2.342 7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.524 2.180 8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.054 0.849 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.082 0.979 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.069 -0.502 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.029 -0.143 9.132 1.00 0.00 H new ATOM 428 N VAL A 124 78.903 -0.427 9.274 1.00 0.00 N ATOM 429 CA VAL A 124 80.349 -0.129 9.173 1.00 0.00 C ATOM 430 C VAL A 124 80.571 0.643 7.880 1.00 0.00 C ATOM 431 O VAL A 124 81.515 1.396 7.742 1.00 0.00 O ATOM 432 CB VAL A 124 81.043 -1.497 9.117 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.341 -1.399 8.301 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.373 -1.953 10.540 1.00 0.00 C ATOM 0 H VAL A 124 78.611 -1.313 8.861 1.00 0.00 H new ATOM 0 HA VAL A 124 80.734 0.465 10.002 1.00 0.00 H new ATOM 0 HB VAL A 124 80.377 -2.216 8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.825 -2.375 8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.109 -1.074 7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.011 -0.678 8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 124 81.866 -2.924 10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.035 -1.226 11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.453 -2.034 11.119 1.00 0.00 H new ATOM 444 N ASP A 125 79.705 0.449 6.923 1.00 0.00 N ATOM 445 CA ASP A 125 79.877 1.162 5.636 1.00 0.00 C ATOM 446 C ASP A 125 78.530 1.563 5.026 1.00 0.00 C ATOM 447 O ASP A 125 77.490 1.037 5.372 1.00 0.00 O ATOM 448 CB ASP A 125 80.609 0.177 4.727 1.00 0.00 C ATOM 449 CG ASP A 125 82.096 0.534 4.681 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.560 1.173 5.611 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.744 0.166 3.715 1.00 0.00 O ATOM 0 H ASP A 125 78.894 -0.168 6.980 1.00 0.00 H new ATOM 0 HA ASP A 125 80.431 2.091 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.480 -0.840 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.185 0.208 3.723 1.00 0.00 H new ATOM 456 N CYS A 126 78.555 2.496 4.112 1.00 0.00 N ATOM 457 CA CYS A 126 77.302 2.958 3.447 1.00 0.00 C ATOM 458 C CYS A 126 77.660 3.782 2.213 1.00 0.00 C ATOM 459 O CYS A 126 78.348 4.780 2.296 1.00 0.00 O ATOM 460 CB CYS A 126 76.587 3.823 4.488 1.00 0.00 C ATOM 461 SG CYS A 126 74.998 4.373 3.822 1.00 0.00 S ATOM 0 H CYS A 126 79.403 2.964 3.794 1.00 0.00 H new ATOM 0 HA CYS A 126 76.671 2.132 3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.432 3.255 5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 126 77.203 4.684 4.747 1.00 0.00 H new ATOM 0 HG CYS A 126 74.832 5.636 4.082 1.00 0.00 H new ATOM 467 N THR A 127 77.214 3.360 1.066 1.00 0.00 N ATOM 468 CA THR A 127 77.544 4.105 -0.179 1.00 0.00 C ATOM 469 C THR A 127 76.271 4.705 -0.794 1.00 0.00 C ATOM 470 O THR A 127 75.167 4.370 -0.416 1.00 0.00 O ATOM 471 CB THR A 127 78.182 3.041 -1.088 1.00 0.00 C ATOM 472 OG1 THR A 127 79.587 3.248 -1.130 1.00 0.00 O ATOM 473 CG2 THR A 127 77.617 3.131 -2.503 1.00 0.00 C ATOM 0 H THR A 127 76.635 2.531 0.936 1.00 0.00 H new ATOM 0 HA THR A 127 78.214 4.949 -0.016 1.00 0.00 H new ATOM 0 HB THR A 127 77.957 2.053 -0.685 1.00 0.00 H new ATOM 0 HG1 THR A 127 80.000 2.572 -1.707 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.082 2.370 -3.129 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.539 2.970 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 127 77.826 4.118 -2.916 1.00 0.00 H new ATOM 481 N LEU A 128 76.425 5.583 -1.750 1.00 0.00 N ATOM 482 CA LEU A 128 75.229 6.191 -2.401 1.00 0.00 C ATOM 483 C LEU A 128 75.545 6.599 -3.849 1.00 0.00 C ATOM 484 O LEU A 128 76.467 7.339 -4.117 1.00 0.00 O ATOM 485 CB LEU A 128 74.819 7.385 -1.503 1.00 0.00 C ATOM 486 CG LEU A 128 75.477 8.721 -1.911 1.00 0.00 C ATOM 487 CD1 LEU A 128 76.998 8.583 -1.993 1.00 0.00 C ATOM 488 CD2 LEU A 128 74.918 9.200 -3.257 1.00 0.00 C ATOM 0 H LEU A 128 77.325 5.904 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 128 74.399 5.489 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.735 7.498 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.084 7.160 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 128 75.243 9.460 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 128 77.435 9.539 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 128 77.389 8.285 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 128 77.255 7.827 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 128 75.391 10.143 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 128 75.125 8.453 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 128 73.841 9.345 -3.173 1.00 0.00 H new ATOM 673 N PHE A 140 70.494 5.298 -6.862 1.00 0.00 N ATOM 674 CA PHE A 140 70.477 4.217 -5.826 1.00 0.00 C ATOM 675 C PHE A 140 71.777 4.196 -5.019 1.00 0.00 C ATOM 676 O PHE A 140 72.833 4.534 -5.507 1.00 0.00 O ATOM 677 CB PHE A 140 70.277 2.900 -6.586 1.00 0.00 C ATOM 678 CG PHE A 140 71.471 2.579 -7.455 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.645 2.074 -6.881 1.00 0.00 C ATOM 680 CD2 PHE A 140 71.390 2.756 -8.840 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.740 1.753 -7.696 1.00 0.00 C ATOM 682 CE2 PHE A 140 72.482 2.429 -9.654 1.00 0.00 C ATOM 683 CZ PHE A 140 73.656 1.929 -9.082 1.00 0.00 C ATOM 0 HA PHE A 140 69.678 4.382 -5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.113 2.089 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.382 2.967 -7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 140 72.707 1.932 -5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 140 70.485 3.145 -9.282 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.648 1.370 -7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 140 72.417 2.563 -10.724 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.498 1.679 -9.710 1.00 0.00 H new ATOM 693 N GLY A 141 71.696 3.802 -3.777 1.00 0.00 N ATOM 694 CA GLY A 141 72.914 3.759 -2.921 1.00 0.00 C ATOM 695 C GLY A 141 73.020 2.388 -2.256 1.00 0.00 C ATOM 696 O GLY A 141 72.113 1.583 -2.321 1.00 0.00 O ATOM 0 H GLY A 141 70.835 3.507 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.802 3.953 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 141 72.866 4.540 -2.163 1.00 0.00 H new ATOM 700 N PHE A 142 74.126 2.112 -1.620 1.00 0.00 N ATOM 701 CA PHE A 142 74.293 0.788 -0.956 1.00 0.00 C ATOM 702 C PHE A 142 74.382 0.950 0.560 1.00 0.00 C ATOM 703 O PHE A 142 74.463 2.047 1.080 1.00 0.00 O ATOM 704 CB PHE A 142 75.617 0.239 -1.482 1.00 0.00 C ATOM 705 CG PHE A 142 75.411 -0.406 -2.824 1.00 0.00 C ATOM 706 CD1 PHE A 142 74.818 0.316 -3.864 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.820 -1.728 -3.030 1.00 0.00 C ATOM 708 CE1 PHE A 142 74.631 -0.284 -5.111 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.636 -2.327 -4.281 1.00 0.00 C ATOM 710 CZ PHE A 142 75.040 -1.602 -5.322 1.00 0.00 C ATOM 0 H PHE A 142 74.920 2.746 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 142 73.450 0.130 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.347 1.045 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.023 -0.488 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 142 74.505 1.337 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.277 -2.285 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.169 0.272 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.953 -3.347 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 142 74.897 -2.063 -6.288 1.00 0.00 H new ATOM 720 N VAL A 143 74.389 -0.144 1.265 1.00 0.00 N ATOM 721 CA VAL A 143 74.492 -0.087 2.748 1.00 0.00 C ATOM 722 C VAL A 143 75.285 -1.294 3.239 1.00 0.00 C ATOM 723 O VAL A 143 75.113 -2.399 2.767 1.00 0.00 O ATOM 724 CB VAL A 143 73.050 -0.132 3.251 1.00 0.00 C ATOM 725 CG1 VAL A 143 73.028 -0.542 4.725 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.423 1.255 3.101 1.00 0.00 C ATOM 0 H VAL A 143 74.327 -1.084 0.874 1.00 0.00 H new ATOM 0 HA VAL A 143 75.004 0.805 3.107 1.00 0.00 H new ATOM 0 HB VAL A 143 72.485 -0.859 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.997 -0.573 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.479 -1.528 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.592 0.182 5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.394 1.230 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 143 72.992 1.977 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.436 1.548 2.051 1.00 0.00 H new ATOM 736 N LEU A 144 76.163 -1.086 4.171 1.00 0.00 N ATOM 737 CA LEU A 144 76.982 -2.214 4.679 1.00 0.00 C ATOM 738 C LEU A 144 76.796 -2.347 6.191 1.00 0.00 C ATOM 739 O LEU A 144 77.365 -1.603 6.967 1.00 0.00 O ATOM 740 CB LEU A 144 78.410 -1.814 4.326 1.00 0.00 C ATOM 741 CG LEU A 144 78.798 -2.429 2.976 1.00 0.00 C ATOM 742 CD1 LEU A 144 78.119 -1.656 1.837 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.319 -2.351 2.805 1.00 0.00 C ATOM 0 H LEU A 144 76.350 -0.182 4.605 1.00 0.00 H new ATOM 0 HA LEU A 144 76.711 -3.179 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.493 -0.728 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.096 -2.153 5.102 1.00 0.00 H new ATOM 0 HG LEU A 144 78.475 -3.470 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.398 -2.098 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 144 77.037 -1.706 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.439 -0.614 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.600 -2.787 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.636 -1.308 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.804 -2.902 3.611 1.00 0.00 H new ATOM 755 N PHE A 145 75.992 -3.284 6.614 1.00 0.00 N ATOM 756 CA PHE A 145 75.757 -3.459 8.075 1.00 0.00 C ATOM 757 C PHE A 145 76.962 -4.134 8.727 1.00 0.00 C ATOM 758 O PHE A 145 77.694 -4.871 8.096 1.00 0.00 O ATOM 759 CB PHE A 145 74.513 -4.342 8.179 1.00 0.00 C ATOM 760 CG PHE A 145 73.281 -3.476 8.077 1.00 0.00 C ATOM 761 CD1 PHE A 145 73.047 -2.477 9.028 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.375 -3.668 7.027 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.909 -1.667 8.928 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.238 -2.859 6.927 1.00 0.00 C ATOM 765 CZ PHE A 145 71.005 -1.858 7.878 1.00 0.00 C ATOM 0 H PHE A 145 75.488 -3.935 6.012 1.00 0.00 H new ATOM 0 HA PHE A 145 75.617 -2.507 8.587 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.514 -5.088 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.514 -4.883 9.125 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.744 -2.330 9.840 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.554 -4.441 6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.729 -0.895 9.662 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.540 -3.007 6.116 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.127 -1.233 7.801 1.00 0.00 H new ATOM 775 N LYS A 146 77.178 -3.877 9.985 1.00 0.00 N ATOM 776 CA LYS A 146 78.342 -4.488 10.683 1.00 0.00 C ATOM 777 C LYS A 146 78.077 -5.961 11.011 1.00 0.00 C ATOM 778 O LYS A 146 78.997 -6.743 11.153 1.00 0.00 O ATOM 779 CB LYS A 146 78.504 -3.674 11.966 1.00 0.00 C ATOM 780 CG LYS A 146 79.782 -4.110 12.686 1.00 0.00 C ATOM 781 CD LYS A 146 79.462 -4.426 14.148 1.00 0.00 C ATOM 782 CE LYS A 146 80.532 -3.805 15.050 1.00 0.00 C ATOM 783 NZ LYS A 146 80.256 -2.343 15.023 1.00 0.00 N ATOM 0 H LYS A 146 76.597 -3.269 10.562 1.00 0.00 H new ATOM 0 HA LYS A 146 79.240 -4.469 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.550 -2.610 11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.640 -3.820 12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 146 80.206 -4.988 12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.531 -3.321 12.629 1.00 0.00 H new ATOM 0 HD2 LYS A 146 78.479 -4.034 14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 146 79.426 -5.505 14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 146 80.471 -4.200 16.064 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.534 -4.024 14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 81.098 -1.837 14.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 79.455 -2.153 14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 80.022 -2.016 15.982 1.00 0.00 H new ATOM 797 N GLU A 147 76.837 -6.357 11.147 1.00 0.00 N ATOM 798 CA GLU A 147 76.564 -7.784 11.478 1.00 0.00 C ATOM 799 C GLU A 147 75.465 -8.351 10.573 1.00 0.00 C ATOM 800 O GLU A 147 74.555 -7.655 10.169 1.00 0.00 O ATOM 801 CB GLU A 147 76.106 -7.754 12.935 1.00 0.00 C ATOM 802 CG GLU A 147 75.646 -9.147 13.362 1.00 0.00 C ATOM 803 CD GLU A 147 74.567 -9.012 14.437 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.892 -7.994 14.443 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.434 -9.924 15.235 1.00 0.00 O ATOM 0 H GLU A 147 76.014 -5.763 11.045 1.00 0.00 H new ATOM 0 HA GLU A 147 77.437 -8.420 11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 147 76.922 -7.418 13.575 1.00 0.00 H new ATOM 0 HB3 GLU A 147 75.292 -7.039 13.055 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.255 -9.693 12.504 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.490 -9.720 13.747 1.00 0.00 H new ATOM 812 N SER A 148 75.540 -9.614 10.254 1.00 0.00 N ATOM 813 CA SER A 148 74.492 -10.217 9.384 1.00 0.00 C ATOM 814 C SER A 148 73.120 -10.004 10.019 1.00 0.00 C ATOM 815 O SER A 148 72.174 -9.611 9.366 1.00 0.00 O ATOM 816 CB SER A 148 74.830 -11.706 9.323 1.00 0.00 C ATOM 817 OG SER A 148 74.136 -12.299 8.234 1.00 0.00 O ATOM 0 H SER A 148 76.277 -10.251 10.556 1.00 0.00 H new ATOM 0 HA SER A 148 74.465 -9.772 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 148 75.905 -11.842 9.202 1.00 0.00 H new ATOM 0 HB3 SER A 148 74.550 -12.193 10.257 1.00 0.00 H new ATOM 0 HG SER A 148 74.351 -13.254 8.190 1.00 0.00 H new ATOM 823 N GLU A 149 73.010 -10.257 11.295 1.00 0.00 N ATOM 824 CA GLU A 149 71.704 -10.065 11.980 1.00 0.00 C ATOM 825 C GLU A 149 71.138 -8.683 11.649 1.00 0.00 C ATOM 826 O GLU A 149 70.073 -8.563 11.075 1.00 0.00 O ATOM 827 CB GLU A 149 72.016 -10.172 13.473 1.00 0.00 C ATOM 828 CG GLU A 149 70.771 -10.648 14.224 1.00 0.00 C ATOM 829 CD GLU A 149 71.083 -10.746 15.718 1.00 0.00 C ATOM 830 OE1 GLU A 149 71.677 -9.816 16.241 1.00 0.00 O ATOM 831 OE2 GLU A 149 70.724 -11.748 16.313 1.00 0.00 O ATOM 0 H GLU A 149 73.769 -10.588 11.891 1.00 0.00 H new ATOM 0 HA GLU A 149 70.961 -10.799 11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.839 -10.869 13.634 1.00 0.00 H new ATOM 0 HB3 GLU A 149 72.338 -9.204 13.858 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.946 -9.955 14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 149 70.453 -11.619 13.844 1.00 0.00 H new ATOM 838 N SER A 150 71.840 -7.636 12.001 1.00 0.00 N ATOM 839 CA SER A 150 71.330 -6.265 11.695 1.00 0.00 C ATOM 840 C SER A 150 70.767 -6.229 10.271 1.00 0.00 C ATOM 841 O SER A 150 69.745 -5.619 10.007 1.00 0.00 O ATOM 842 CB SER A 150 72.542 -5.333 11.826 1.00 0.00 C ATOM 843 OG SER A 150 73.746 -6.065 11.618 1.00 0.00 O ATOM 0 H SER A 150 72.738 -7.670 12.484 1.00 0.00 H new ATOM 0 HA SER A 150 70.527 -5.964 12.368 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.469 -4.524 11.099 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.552 -4.874 12.814 1.00 0.00 H new ATOM 0 HG SER A 150 73.659 -6.615 10.811 1.00 0.00 H new ATOM 849 N VAL A 151 71.420 -6.886 9.352 1.00 0.00 N ATOM 850 CA VAL A 151 70.920 -6.895 7.948 1.00 0.00 C ATOM 851 C VAL A 151 69.582 -7.637 7.866 1.00 0.00 C ATOM 852 O VAL A 151 68.617 -7.134 7.323 1.00 0.00 O ATOM 853 CB VAL A 151 71.993 -7.635 7.152 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.771 -7.396 5.658 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.375 -7.115 7.552 1.00 0.00 C ATOM 0 H VAL A 151 72.277 -7.416 9.512 1.00 0.00 H new ATOM 0 HA VAL A 151 70.748 -5.889 7.564 1.00 0.00 H new ATOM 0 HB VAL A 151 71.932 -8.703 7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.536 -7.923 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.786 -7.766 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.833 -6.328 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 151 74.141 -7.643 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.437 -6.048 7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.533 -7.283 8.617 1.00 0.00 H new ATOM 865 N ASP A 152 69.513 -8.828 8.398 1.00 0.00 N ATOM 866 CA ASP A 152 68.231 -9.591 8.344 1.00 0.00 C ATOM 867 C ASP A 152 67.086 -8.727 8.883 1.00 0.00 C ATOM 868 O ASP A 152 65.940 -8.897 8.520 1.00 0.00 O ATOM 869 CB ASP A 152 68.460 -10.829 9.228 1.00 0.00 C ATOM 870 CG ASP A 152 68.089 -10.527 10.687 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.927 -10.251 10.937 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.971 -10.578 11.526 1.00 0.00 O ATOM 0 H ASP A 152 70.284 -9.304 8.866 1.00 0.00 H new ATOM 0 HA ASP A 152 67.956 -9.876 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.861 -11.662 8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.504 -11.137 9.169 1.00 0.00 H new ATOM 877 N LYS A 153 67.395 -7.805 9.752 1.00 0.00 N ATOM 878 CA LYS A 153 66.333 -6.931 10.321 1.00 0.00 C ATOM 879 C LYS A 153 65.852 -5.927 9.271 1.00 0.00 C ATOM 880 O LYS A 153 64.668 -5.769 9.050 1.00 0.00 O ATOM 881 CB LYS A 153 67.004 -6.210 11.491 1.00 0.00 C ATOM 882 CG LYS A 153 67.269 -7.207 12.621 1.00 0.00 C ATOM 883 CD LYS A 153 66.240 -7.004 13.735 1.00 0.00 C ATOM 884 CE LYS A 153 65.656 -8.359 14.143 1.00 0.00 C ATOM 885 NZ LYS A 153 64.762 -8.058 15.295 1.00 0.00 N ATOM 0 H LYS A 153 68.338 -7.619 10.093 1.00 0.00 H new ATOM 0 HA LYS A 153 65.457 -7.496 10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.940 -5.757 11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 153 66.366 -5.401 11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 153 67.212 -8.227 12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 153 68.277 -7.069 13.013 1.00 0.00 H new ATOM 0 HD2 LYS A 153 66.708 -6.524 14.594 1.00 0.00 H new ATOM 0 HD3 LYS A 153 65.445 -6.341 13.394 1.00 0.00 H new ATOM 0 HE2 LYS A 153 65.103 -8.814 13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 153 66.442 -9.060 14.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 64.323 -8.938 15.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 65.318 -7.631 16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 64.020 -7.394 14.994 1.00 0.00 H new ATOM 899 N VAL A 154 66.755 -5.246 8.622 1.00 0.00 N ATOM 900 CA VAL A 154 66.330 -4.253 7.590 1.00 0.00 C ATOM 901 C VAL A 154 65.618 -4.960 6.432 1.00 0.00 C ATOM 902 O VAL A 154 64.905 -4.344 5.663 1.00 0.00 O ATOM 903 CB VAL A 154 67.624 -3.596 7.104 1.00 0.00 C ATOM 904 CG1 VAL A 154 67.290 -2.328 6.314 1.00 0.00 C ATOM 905 CG2 VAL A 154 68.492 -3.227 8.309 1.00 0.00 C ATOM 0 H VAL A 154 67.762 -5.331 8.758 1.00 0.00 H new ATOM 0 HA VAL A 154 65.630 -3.520 7.992 1.00 0.00 H new ATOM 0 HB VAL A 154 68.164 -4.293 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 154 68.212 -1.861 5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 154 66.671 -2.587 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 154 66.749 -1.632 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 154 69.414 -2.759 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 154 67.949 -2.531 8.949 1.00 0.00 H new ATOM 0 HG23 VAL A 154 68.732 -4.128 8.874 1.00 0.00 H new ATOM 915 N MET A 155 65.803 -6.245 6.298 1.00 0.00 N ATOM 916 CA MET A 155 65.134 -6.982 5.186 1.00 0.00 C ATOM 917 C MET A 155 63.719 -7.402 5.596 1.00 0.00 C ATOM 918 O MET A 155 62.798 -7.369 4.804 1.00 0.00 O ATOM 919 CB MET A 155 66.007 -8.214 4.942 1.00 0.00 C ATOM 920 CG MET A 155 67.351 -7.781 4.353 1.00 0.00 C ATOM 921 SD MET A 155 67.135 -7.340 2.611 1.00 0.00 S ATOM 922 CE MET A 155 68.462 -6.113 2.523 1.00 0.00 C ATOM 0 H MET A 155 66.387 -6.816 6.909 1.00 0.00 H new ATOM 0 HA MET A 155 65.034 -6.368 4.291 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.164 -8.752 5.877 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.504 -8.900 4.261 1.00 0.00 H new ATOM 0 HG2 MET A 155 67.746 -6.930 4.908 1.00 0.00 H new ATOM 0 HG3 MET A 155 68.078 -8.588 4.447 1.00 0.00 H new ATOM 0 HE1 MET A 155 68.605 -5.806 1.487 1.00 0.00 H new ATOM 0 HE2 MET A 155 68.195 -5.245 3.126 1.00 0.00 H new ATOM 0 HE3 MET A 155 69.386 -6.549 2.903 1.00 0.00 H new ATOM 932 N ASP A 156 63.537 -7.800 6.827 1.00 0.00 N ATOM 933 CA ASP A 156 62.180 -8.227 7.280 1.00 0.00 C ATOM 934 C ASP A 156 61.131 -7.185 6.869 1.00 0.00 C ATOM 935 O ASP A 156 60.006 -7.515 6.548 1.00 0.00 O ATOM 936 CB ASP A 156 62.295 -8.351 8.810 1.00 0.00 C ATOM 937 CG ASP A 156 61.854 -7.055 9.504 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.357 -6.008 9.137 1.00 0.00 O ATOM 939 OD2 ASP A 156 61.023 -7.137 10.393 1.00 0.00 O ATOM 0 H ASP A 156 64.267 -7.848 7.537 1.00 0.00 H new ATOM 0 HA ASP A 156 61.861 -9.167 6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.680 -9.181 9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.325 -8.581 9.083 1.00 0.00 H new ATOM 944 N GLN A 157 61.494 -5.932 6.876 1.00 0.00 N ATOM 945 CA GLN A 157 60.522 -4.870 6.489 1.00 0.00 C ATOM 946 C GLN A 157 61.136 -3.962 5.421 1.00 0.00 C ATOM 947 O GLN A 157 61.844 -3.022 5.726 1.00 0.00 O ATOM 948 CB GLN A 157 60.265 -4.085 7.777 1.00 0.00 C ATOM 949 CG GLN A 157 58.915 -4.495 8.369 1.00 0.00 C ATOM 950 CD GLN A 157 58.913 -4.223 9.876 1.00 0.00 C ATOM 951 OE1 GLN A 157 58.888 -3.085 10.301 1.00 0.00 O ATOM 952 NE2 GLN A 157 58.936 -5.228 10.708 1.00 0.00 N ATOM 0 H GLN A 157 62.422 -5.597 7.133 1.00 0.00 H new ATOM 0 HA GLN A 157 59.603 -5.279 6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 157 61.062 -4.276 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 157 60.272 -3.015 7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 157 58.111 -3.939 7.887 1.00 0.00 H new ATOM 0 HG3 GLN A 157 58.729 -5.552 8.179 1.00 0.00 H new ATOM 0 HE21 GLN A 157 58.957 -6.184 10.353 1.00 0.00 H new ATOM 0 HE22 GLN A 157 58.933 -5.058 11.714 1.00 0.00 H new ATOM 961 N LYS A 158 60.876 -4.234 4.171 1.00 0.00 N ATOM 962 CA LYS A 158 61.453 -3.382 3.094 1.00 0.00 C ATOM 963 C LYS A 158 60.507 -2.238 2.758 1.00 0.00 C ATOM 964 O LYS A 158 60.587 -1.637 1.704 1.00 0.00 O ATOM 965 CB LYS A 158 61.637 -4.311 1.894 1.00 0.00 C ATOM 966 CG LYS A 158 62.339 -5.593 2.345 1.00 0.00 C ATOM 967 CD LYS A 158 61.308 -6.712 2.490 1.00 0.00 C ATOM 968 CE LYS A 158 61.974 -8.060 2.208 1.00 0.00 C ATOM 969 NZ LYS A 158 61.188 -8.647 1.086 1.00 0.00 N ATOM 0 H LYS A 158 60.291 -5.006 3.851 1.00 0.00 H new ATOM 0 HA LYS A 158 62.397 -2.927 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 158 60.669 -4.549 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.225 -3.814 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 158 63.101 -5.878 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 158 62.848 -5.427 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 158 60.888 -6.705 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 158 60.481 -6.551 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 158 63.021 -7.934 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 158 61.950 -8.704 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 61.584 -9.575 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 60.197 -8.761 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 61.235 -8.015 0.262 1.00 0.00 H new ATOM 983 N GLU A 159 59.640 -1.902 3.661 1.00 0.00 N ATOM 984 CA GLU A 159 58.728 -0.771 3.420 1.00 0.00 C ATOM 985 C GLU A 159 59.450 0.469 3.906 1.00 0.00 C ATOM 986 O GLU A 159 59.114 1.079 4.901 1.00 0.00 O ATOM 987 CB GLU A 159 57.517 -1.084 4.267 1.00 0.00 C ATOM 988 CG GLU A 159 56.749 0.195 4.577 1.00 0.00 C ATOM 989 CD GLU A 159 55.265 -0.129 4.759 1.00 0.00 C ATOM 990 OE1 GLU A 159 54.695 -0.726 3.861 1.00 0.00 O ATOM 991 OE2 GLU A 159 54.724 0.228 5.792 1.00 0.00 O ATOM 0 H GLU A 159 59.526 -2.368 4.561 1.00 0.00 H new ATOM 0 HA GLU A 159 58.436 -0.615 2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 159 56.870 -1.788 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 159 57.827 -1.565 5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 159 57.144 0.658 5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.878 0.914 3.768 1.00 0.00 H new ATOM 998 N HIS A 160 60.488 0.790 3.218 1.00 0.00 N ATOM 999 CA HIS A 160 61.329 1.946 3.619 1.00 0.00 C ATOM 1000 C HIS A 160 60.791 3.252 3.035 1.00 0.00 C ATOM 1001 O HIS A 160 59.841 3.268 2.278 1.00 0.00 O ATOM 1002 CB HIS A 160 62.700 1.657 3.021 1.00 0.00 C ATOM 1003 CG HIS A 160 63.342 0.523 3.762 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.152 0.722 4.886 1.00 0.00 N ATOM 1005 CD2 HIS A 160 63.309 -0.831 3.552 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.568 -0.491 5.306 1.00 0.00 C ATOM 1007 NE2 HIS A 160 64.077 -1.441 4.524 1.00 0.00 N ATOM 0 H HIS A 160 60.802 0.299 2.381 1.00 0.00 H new ATOM 0 HA HIS A 160 61.348 2.064 4.702 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.602 1.406 1.965 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.328 2.546 3.080 1.00 0.00 H new ATOM 0 HD2 HIS A 160 62.774 -1.335 2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.209 -0.663 6.158 1.00 0.00 H new ATOM 0 HE2 HIS A 160 64.238 -2.443 4.622 1.00 0.00 H new ATOM 1015 N LYS A 161 61.413 4.346 3.381 1.00 0.00 N ATOM 1016 CA LYS A 161 60.975 5.670 2.858 1.00 0.00 C ATOM 1017 C LYS A 161 61.875 6.764 3.436 1.00 0.00 C ATOM 1018 O LYS A 161 61.483 7.504 4.316 1.00 0.00 O ATOM 1019 CB LYS A 161 59.535 5.842 3.340 1.00 0.00 C ATOM 1020 CG LYS A 161 58.804 6.813 2.411 1.00 0.00 C ATOM 1021 CD LYS A 161 57.524 6.157 1.893 1.00 0.00 C ATOM 1022 CE LYS A 161 56.759 5.538 3.067 1.00 0.00 C ATOM 1023 NZ LYS A 161 55.320 5.697 2.718 1.00 0.00 N ATOM 0 H LYS A 161 62.215 4.378 4.011 1.00 0.00 H new ATOM 0 HA LYS A 161 61.037 5.734 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 161 59.026 4.878 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.524 6.221 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.564 7.732 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 161 59.448 7.088 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.902 6.896 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.767 5.390 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 161 57.019 4.488 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 161 56.996 6.044 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 54.732 5.296 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 55.099 6.707 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 55.122 5.199 1.827 1.00 0.00 H new ATOM 1037 N LEU A 162 63.084 6.862 2.953 1.00 0.00 N ATOM 1038 CA LEU A 162 64.017 7.900 3.479 1.00 0.00 C ATOM 1039 C LEU A 162 64.273 8.972 2.417 1.00 0.00 C ATOM 1040 O LEU A 162 64.164 8.724 1.232 1.00 0.00 O ATOM 1041 CB LEU A 162 65.307 7.142 3.812 1.00 0.00 C ATOM 1042 CG LEU A 162 66.071 6.823 2.524 1.00 0.00 C ATOM 1043 CD1 LEU A 162 67.253 7.784 2.379 1.00 0.00 C ATOM 1044 CD2 LEU A 162 66.591 5.383 2.582 1.00 0.00 C ATOM 0 H LEU A 162 63.466 6.268 2.217 1.00 0.00 H new ATOM 0 HA LEU A 162 63.614 8.415 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.930 7.741 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 162 65.071 6.220 4.343 1.00 0.00 H new ATOM 0 HG LEU A 162 65.403 6.936 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 162 67.797 7.556 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.885 8.809 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.920 7.672 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 162 67.135 5.155 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.258 5.271 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 162 65.751 4.697 2.685 1.00 0.00 H new ATOM 1056 N ASN A 163 64.608 10.162 2.834 1.00 0.00 N ATOM 1057 CA ASN A 163 64.866 11.252 1.848 1.00 0.00 C ATOM 1058 C ASN A 163 63.566 11.622 1.130 1.00 0.00 C ATOM 1059 O ASN A 163 63.564 12.376 0.178 1.00 0.00 O ATOM 1060 CB ASN A 163 65.877 10.667 0.861 1.00 0.00 C ATOM 1061 CG ASN A 163 67.126 11.549 0.820 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.545 11.981 -0.235 1.00 0.00 O ATOM 1063 ND2 ASN A 163 67.744 11.837 1.933 1.00 0.00 N ATOM 0 H ASN A 163 64.714 10.428 3.813 1.00 0.00 H new ATOM 0 HA ASN A 163 65.242 12.159 2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 163 66.145 9.653 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.434 10.601 -0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 163 68.578 12.424 1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 163 67.393 11.475 2.820 1.00 0.00 H new ATOM 1070 N GLY A 164 62.461 11.094 1.582 1.00 0.00 N ATOM 1071 CA GLY A 164 61.160 11.410 0.929 1.00 0.00 C ATOM 1072 C GLY A 164 60.891 10.407 -0.194 1.00 0.00 C ATOM 1073 O GLY A 164 60.079 10.644 -1.067 1.00 0.00 O ATOM 0 H GLY A 164 62.404 10.457 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 164 60.355 11.373 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 164 61.180 12.423 0.528 1.00 0.00 H new ATOM 1077 N LYS A 165 61.565 9.287 -0.184 1.00 0.00 N ATOM 1078 CA LYS A 165 61.338 8.277 -1.258 1.00 0.00 C ATOM 1079 C LYS A 165 61.596 6.864 -0.724 1.00 0.00 C ATOM 1080 O LYS A 165 62.240 6.680 0.290 1.00 0.00 O ATOM 1081 CB LYS A 165 62.343 8.632 -2.354 1.00 0.00 C ATOM 1082 CG LYS A 165 61.697 9.612 -3.338 1.00 0.00 C ATOM 1083 CD LYS A 165 60.588 8.901 -4.117 1.00 0.00 C ATOM 1084 CE LYS A 165 60.060 9.827 -5.215 1.00 0.00 C ATOM 1085 NZ LYS A 165 59.251 8.948 -6.104 1.00 0.00 N ATOM 0 H LYS A 165 62.259 9.029 0.518 1.00 0.00 H new ATOM 0 HA LYS A 165 60.312 8.290 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 165 63.236 9.077 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.661 7.730 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 165 61.287 10.466 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 165 62.448 10.000 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 165 60.971 7.980 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 165 59.779 8.620 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 165 59.454 10.630 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 165 60.877 10.297 -5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 58.855 9.512 -6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 59.856 8.197 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 58.476 8.520 -5.558 1.00 0.00 H new ATOM 1099 N VAL A 166 61.096 5.867 -1.401 1.00 0.00 N ATOM 1100 CA VAL A 166 61.307 4.465 -0.938 1.00 0.00 C ATOM 1101 C VAL A 166 62.625 3.915 -1.496 1.00 0.00 C ATOM 1102 O VAL A 166 63.315 4.579 -2.244 1.00 0.00 O ATOM 1103 CB VAL A 166 60.111 3.686 -1.493 1.00 0.00 C ATOM 1104 CG1 VAL A 166 60.325 3.394 -2.981 1.00 0.00 C ATOM 1105 CG2 VAL A 166 59.966 2.367 -0.731 1.00 0.00 C ATOM 0 H VAL A 166 60.549 5.962 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 166 61.373 4.389 0.147 1.00 0.00 H new ATOM 0 HB VAL A 166 59.206 4.282 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.471 2.840 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.426 4.333 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 166 61.231 2.801 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 166 59.115 1.811 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 166 60.873 1.775 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 166 59.806 2.574 0.327 1.00 0.00 H new ATOM 1115 N ILE A 167 62.981 2.711 -1.137 1.00 0.00 N ATOM 1116 CA ILE A 167 64.259 2.131 -1.655 1.00 0.00 C ATOM 1117 C ILE A 167 64.058 0.687 -2.111 1.00 0.00 C ATOM 1118 O ILE A 167 62.952 0.199 -2.227 1.00 0.00 O ATOM 1119 CB ILE A 167 65.257 2.154 -0.489 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.519 2.099 0.852 1.00 0.00 C ATOM 1121 CG2 ILE A 167 66.110 3.420 -0.560 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.523 2.249 1.996 1.00 0.00 C ATOM 0 H ILE A 167 62.448 2.106 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 167 64.615 2.706 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 167 65.903 1.279 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 167 63.774 2.893 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.984 1.154 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.816 3.430 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.658 3.437 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.465 4.297 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 167 64.997 2.210 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.251 1.439 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.038 3.205 1.905 1.00 0.00 H new ATOM 1134 N ASP A 168 65.141 0.006 -2.353 1.00 0.00 N ATOM 1135 CA ASP A 168 65.074 -1.414 -2.787 1.00 0.00 C ATOM 1136 C ASP A 168 66.233 -2.173 -2.144 1.00 0.00 C ATOM 1137 O ASP A 168 67.299 -2.284 -2.720 1.00 0.00 O ATOM 1138 CB ASP A 168 65.226 -1.378 -4.309 1.00 0.00 C ATOM 1139 CG ASP A 168 64.690 -2.681 -4.908 1.00 0.00 C ATOM 1140 OD1 ASP A 168 63.483 -2.848 -4.928 1.00 0.00 O ATOM 1141 OD2 ASP A 168 65.498 -3.489 -5.337 1.00 0.00 O ATOM 0 H ASP A 168 66.086 0.381 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 168 64.147 -1.909 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.683 -0.527 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.274 -1.246 -4.577 1.00 0.00 H new ATOM 1146 N PRO A 169 65.987 -2.648 -0.953 1.00 0.00 N ATOM 1147 CA PRO A 169 67.023 -3.386 -0.194 1.00 0.00 C ATOM 1148 C PRO A 169 67.262 -4.769 -0.807 1.00 0.00 C ATOM 1149 O PRO A 169 66.338 -5.509 -1.083 1.00 0.00 O ATOM 1150 CB PRO A 169 66.430 -3.497 1.207 1.00 0.00 C ATOM 1151 CG PRO A 169 64.952 -3.391 1.014 1.00 0.00 C ATOM 1152 CD PRO A 169 64.726 -2.542 -0.209 1.00 0.00 C ATOM 0 HA PRO A 169 67.993 -2.889 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.699 -4.444 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.801 -2.704 1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.508 -4.378 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.481 -2.941 1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.884 -2.906 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.506 -1.508 0.058 1.00 0.00 H new ATOM 1160 N LYS A 170 68.500 -5.119 -1.018 1.00 0.00 N ATOM 1161 CA LYS A 170 68.816 -6.449 -1.611 1.00 0.00 C ATOM 1162 C LYS A 170 70.127 -6.977 -1.051 1.00 0.00 C ATOM 1163 O LYS A 170 70.900 -6.249 -0.458 1.00 0.00 O ATOM 1164 CB LYS A 170 68.998 -6.198 -3.099 1.00 0.00 C ATOM 1165 CG LYS A 170 67.857 -6.846 -3.884 1.00 0.00 C ATOM 1166 CD LYS A 170 68.438 -7.756 -4.968 1.00 0.00 C ATOM 1167 CE LYS A 170 67.309 -8.536 -5.646 1.00 0.00 C ATOM 1168 NZ LYS A 170 67.143 -7.893 -6.979 1.00 0.00 N ATOM 0 H LYS A 170 69.311 -4.538 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 170 68.031 -7.173 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.022 -5.126 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.954 -6.604 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 170 67.221 -7.422 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.230 -6.078 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.976 -7.161 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 170 69.158 -8.447 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 170 67.563 -9.591 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.388 -8.483 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 66.385 -8.374 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 66.895 -6.891 -6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 68.033 -7.965 -7.512 1.00 0.00 H new ATOM 1182 N ARG A 171 70.405 -8.231 -1.254 1.00 0.00 N ATOM 1183 CA ARG A 171 71.686 -8.779 -0.752 1.00 0.00 C ATOM 1184 C ARG A 171 72.757 -8.676 -1.839 1.00 0.00 C ATOM 1185 O ARG A 171 73.467 -9.621 -2.119 1.00 0.00 O ATOM 1186 CB ARG A 171 71.402 -10.239 -0.392 1.00 0.00 C ATOM 1187 CG ARG A 171 71.872 -10.511 1.038 1.00 0.00 C ATOM 1188 CD ARG A 171 70.749 -11.187 1.825 1.00 0.00 C ATOM 1189 NE ARG A 171 70.374 -12.376 1.011 1.00 0.00 N ATOM 1190 CZ ARG A 171 69.742 -13.373 1.567 1.00 0.00 C ATOM 1191 NH1 ARG A 171 70.233 -13.944 2.633 1.00 0.00 N ATOM 1192 NH2 ARG A 171 68.619 -13.798 1.056 1.00 0.00 N ATOM 0 H ARG A 171 69.804 -8.895 -1.743 1.00 0.00 H new ATOM 0 HA ARG A 171 72.058 -8.230 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 171 70.336 -10.446 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 171 71.915 -10.903 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 171 72.756 -11.148 1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 171 72.158 -9.577 1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 171 71.084 -11.479 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 171 69.901 -10.516 1.959 1.00 0.00 H new ATOM 0 HE ARG A 171 70.611 -12.411 0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 171 71.111 -13.611 3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 171 69.739 -14.723 3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 171 68.236 -13.351 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 171 68.124 -14.577 1.490 1.00 0.00 H new