USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 791 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 GLY N :NH3+ 171:sc= 0.296 (180deg=0) USER MOD Set 2.2: A 45 THR OG1 : rot 66:sc= 1.4 USER MOD Single : A 12 THR OG1 : rot -140:sc= 0.0341 USER MOD Single : A 13 GLN : amide:sc= -0.0467 K(o=-0.047,f=-3.7!) USER MOD Single : A 14 ASN : amide:sc= -0.0642 K(o=-0.064,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0955) USER MOD Single : A 24 ASN : amide:sc= 1.68 K(o=1.7,f=-5.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 29 TYR OH : rot -133:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -150:sc= -0.227 USER MOD Single : A 42 MET CE :methyl -172:sc= -0.0632 (180deg=-0.105) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0.273 (180deg=0.273) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0123 K(o=-0.012,f=-5.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -22:sc= 0.693 USER MOD Single : A 61 GLN : amide:sc= -0.786 X(o=-0.79,f=-1) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -74:sc= 0.991 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00356) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0339) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0193 F(o=-0.77,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.900 -9.432 -1.934 1.00 0.00 N ATOM 2 CA GLY A 1 10.195 -10.631 -2.723 1.00 0.00 C ATOM 3 C GLY A 1 9.231 -10.766 -3.905 1.00 0.00 C ATOM 4 O GLY A 1 8.902 -9.768 -4.561 1.00 0.00 O ATOM 0 H1 GLY A 1 10.463 -9.444 -1.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.139 -8.585 -2.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.888 -9.415 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.220 -10.585 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.123 -11.514 -2.088 1.00 0.00 H new ATOM 10 N GLU A 2 8.767 -11.990 -4.177 1.00 0.00 N ATOM 11 CA GLU A 2 7.687 -12.221 -5.124 1.00 0.00 C ATOM 12 C GLU A 2 6.369 -11.724 -4.507 1.00 0.00 C ATOM 13 O GLU A 2 6.320 -11.388 -3.327 1.00 0.00 O ATOM 14 CB GLU A 2 7.618 -13.724 -5.452 1.00 0.00 C ATOM 15 CG GLU A 2 8.918 -14.221 -6.098 1.00 0.00 C ATOM 16 CD GLU A 2 8.807 -15.687 -6.503 1.00 0.00 C ATOM 17 OE1 GLU A 2 8.209 -15.935 -7.573 1.00 0.00 O ATOM 18 OE2 GLU A 2 9.311 -16.532 -5.733 1.00 0.00 O ATOM 0 H GLU A 2 9.131 -12.840 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 2 7.863 -11.675 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.426 -14.288 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.781 -13.912 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.146 -13.615 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.745 -14.096 -5.400 1.00 0.00 H new ATOM 25 N TRP A 3 5.304 -11.706 -5.309 1.00 0.00 N ATOM 26 CA TRP A 3 3.965 -11.377 -4.855 1.00 0.00 C ATOM 27 C TRP A 3 3.557 -12.288 -3.693 1.00 0.00 C ATOM 28 O TRP A 3 3.218 -13.451 -3.916 1.00 0.00 O ATOM 29 CB TRP A 3 2.981 -11.469 -6.032 1.00 0.00 C ATOM 30 CG TRP A 3 2.879 -10.237 -6.875 1.00 0.00 C ATOM 31 CD1 TRP A 3 3.162 -10.147 -8.195 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.478 -8.892 -6.465 1.00 0.00 C ATOM 33 NE1 TRP A 3 3.002 -8.841 -8.616 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.601 -8.016 -7.583 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.066 -8.313 -5.246 1.00 0.00 C ATOM 36 CZ2 TRP A 3 2.332 -6.641 -7.491 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.835 -6.932 -5.133 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.950 -6.099 -6.256 1.00 0.00 C ATOM 0 H TRP A 3 5.355 -11.923 -6.304 1.00 0.00 H new ATOM 0 HA TRP A 3 3.947 -10.353 -4.483 1.00 0.00 H new ATOM 0 HB2 TRP A 3 3.278 -12.302 -6.669 1.00 0.00 H new ATOM 0 HB3 TRP A 3 1.992 -11.705 -5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 3 3.467 -10.971 -8.824 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.161 -8.525 -9.573 1.00 0.00 H new ATOM 0 HE3 TRP A 3 1.925 -8.945 -4.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.418 -6.008 -8.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.567 -6.509 -4.176 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.745 -5.042 -6.169 1.00 0.00 H new ATOM 49 N GLU A 4 3.585 -11.764 -2.461 1.00 0.00 N ATOM 50 CA GLU A 4 3.231 -12.505 -1.256 1.00 0.00 C ATOM 51 C GLU A 4 2.498 -11.574 -0.295 1.00 0.00 C ATOM 52 O GLU A 4 2.676 -10.356 -0.350 1.00 0.00 O ATOM 53 CB GLU A 4 4.500 -13.098 -0.630 1.00 0.00 C ATOM 54 CG GLU A 4 4.227 -14.024 0.565 1.00 0.00 C ATOM 55 CD GLU A 4 5.497 -14.736 1.018 1.00 0.00 C ATOM 56 OE1 GLU A 4 6.451 -14.017 1.385 1.00 0.00 O ATOM 57 OE2 GLU A 4 5.495 -15.986 0.982 1.00 0.00 O ATOM 0 H GLU A 4 3.859 -10.799 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 4 2.564 -13.333 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.044 -13.655 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.149 -12.284 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.819 -13.443 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.473 -14.761 0.291 1.00 0.00 H new ATOM 64 N ILE A 5 1.663 -12.167 0.562 1.00 0.00 N ATOM 65 CA ILE A 5 0.826 -11.473 1.528 1.00 0.00 C ATOM 66 C ILE A 5 1.681 -11.110 2.746 1.00 0.00 C ATOM 67 O ILE A 5 2.507 -11.919 3.167 1.00 0.00 O ATOM 68 CB ILE A 5 -0.391 -12.331 1.933 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.070 -13.057 0.753 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.448 -11.473 2.642 1.00 0.00 C ATOM 71 CD1 ILE A 5 -0.636 -14.523 0.630 1.00 0.00 C ATOM 0 H ILE A 5 1.552 -13.180 0.599 1.00 0.00 H new ATOM 0 HA ILE A 5 0.431 -10.562 1.078 1.00 0.00 H new ATOM 0 HB ILE A 5 0.011 -13.093 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.152 -13.012 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.835 -12.534 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.297 -12.097 2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.015 -11.030 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.783 -10.681 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.145 -14.983 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.442 -14.572 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.896 -15.057 1.544 1.00 0.00 H new ATOM 83 N ILE A 6 1.486 -9.917 3.308 1.00 0.00 N ATOM 84 CA ILE A 6 2.121 -9.473 4.538 1.00 0.00 C ATOM 85 C ILE A 6 1.115 -9.525 5.691 1.00 0.00 C ATOM 86 O ILE A 6 -0.097 -9.465 5.479 1.00 0.00 O ATOM 87 CB ILE A 6 2.703 -8.060 4.362 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.642 -6.999 4.011 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.809 -8.082 3.294 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.117 -5.595 4.391 1.00 0.00 C ATOM 0 H ILE A 6 0.863 -9.217 2.905 1.00 0.00 H new ATOM 0 HA ILE A 6 2.948 -10.142 4.778 1.00 0.00 H new ATOM 0 HB ILE A 6 3.118 -7.768 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.426 -7.036 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.712 -7.225 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.218 -7.079 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.602 -8.762 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.392 -8.421 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.348 -4.868 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.309 -5.553 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.034 -5.362 3.849 1.00 0.00 H new ATOM 102 N ASP A 7 1.615 -9.619 6.923 1.00 0.00 N ATOM 103 CA ASP A 7 0.763 -9.614 8.099 1.00 0.00 C ATOM 104 C ASP A 7 0.290 -8.198 8.387 1.00 0.00 C ATOM 105 O ASP A 7 1.107 -7.329 8.687 1.00 0.00 O ATOM 106 CB ASP A 7 1.510 -10.113 9.336 1.00 0.00 C ATOM 107 CG ASP A 7 2.026 -11.537 9.174 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.148 -11.673 8.640 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.288 -12.459 9.582 1.00 0.00 O ATOM 0 H ASP A 7 2.611 -9.700 7.127 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.078 -10.276 7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.349 -9.448 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.847 -10.067 10.200 1.00 0.00 H new ATOM 114 N ILE A 8 -1.022 -7.979 8.338 1.00 0.00 N ATOM 115 CA ILE A 8 -1.646 -6.790 8.858 1.00 0.00 C ATOM 116 C ILE A 8 -1.250 -6.636 10.334 1.00 0.00 C ATOM 117 O ILE A 8 -1.259 -7.608 11.088 1.00 0.00 O ATOM 118 CB ILE A 8 -3.162 -6.889 8.630 1.00 0.00 C ATOM 119 CG1 ILE A 8 -3.856 -8.011 9.426 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.459 -7.002 7.128 1.00 0.00 C ATOM 121 CD1 ILE A 8 -5.372 -8.025 9.207 1.00 0.00 C ATOM 0 H ILE A 8 -1.682 -8.640 7.927 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.309 -5.890 8.344 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.591 -5.967 9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.439 -8.974 9.131 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.645 -7.884 10.488 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.536 -7.072 6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.075 -6.121 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.977 -7.894 6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.816 -8.833 9.789 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.795 -7.073 9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.585 -8.180 8.149 1.00 0.00 H new ATOM 133 N GLY A 9 -0.849 -5.432 10.737 1.00 0.00 N ATOM 134 CA GLY A 9 -0.300 -5.169 12.053 1.00 0.00 C ATOM 135 C GLY A 9 0.214 -3.731 12.071 1.00 0.00 C ATOM 136 O GLY A 9 -0.060 -3.000 11.119 1.00 0.00 O ATOM 0 H GLY A 9 -0.900 -4.603 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.062 -5.311 12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.509 -5.866 12.275 1.00 0.00 H new ATOM 140 N PRO A 10 0.962 -3.315 13.106 1.00 0.00 N ATOM 141 CA PRO A 10 1.371 -1.933 13.300 1.00 0.00 C ATOM 142 C PRO A 10 2.045 -1.338 12.062 1.00 0.00 C ATOM 143 O PRO A 10 1.726 -0.219 11.674 1.00 0.00 O ATOM 144 CB PRO A 10 2.269 -1.913 14.543 1.00 0.00 C ATOM 145 CG PRO A 10 2.654 -3.376 14.756 1.00 0.00 C ATOM 146 CD PRO A 10 1.457 -4.144 14.197 1.00 0.00 C ATOM 0 HA PRO A 10 0.502 -1.293 13.454 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.149 -1.289 14.388 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.742 -1.511 15.408 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.575 -3.630 14.230 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.817 -3.599 15.810 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.751 -5.132 13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.692 -4.294 14.959 1.00 0.00 H new ATOM 154 N PHE A 11 2.949 -2.086 11.422 1.00 0.00 N ATOM 155 CA PHE A 11 3.574 -1.684 10.167 1.00 0.00 C ATOM 156 C PHE A 11 2.523 -1.316 9.108 1.00 0.00 C ATOM 157 O PHE A 11 2.518 -0.212 8.561 1.00 0.00 O ATOM 158 CB PHE A 11 4.483 -2.821 9.673 1.00 0.00 C ATOM 159 CG PHE A 11 5.025 -2.616 8.272 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.071 -1.703 8.046 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.429 -3.280 7.184 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.535 -1.474 6.739 1.00 0.00 C ATOM 163 CE2 PHE A 11 4.882 -3.039 5.877 1.00 0.00 C ATOM 164 CZ PHE A 11 5.945 -2.147 5.655 1.00 0.00 C ATOM 0 H PHE A 11 3.267 -2.992 11.766 1.00 0.00 H new ATOM 0 HA PHE A 11 4.174 -0.791 10.340 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.320 -2.928 10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.925 -3.757 9.702 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.518 -1.178 8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.621 -3.976 7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.345 -0.781 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.413 -3.539 5.042 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.308 -1.979 4.652 1.00 0.00 H new ATOM 174 N THR A 12 1.626 -2.253 8.806 1.00 0.00 N ATOM 175 CA THR A 12 0.628 -2.100 7.765 1.00 0.00 C ATOM 176 C THR A 12 -0.309 -0.951 8.108 1.00 0.00 C ATOM 177 O THR A 12 -0.618 -0.118 7.260 1.00 0.00 O ATOM 178 CB THR A 12 -0.144 -3.411 7.641 1.00 0.00 C ATOM 179 OG1 THR A 12 0.710 -4.490 7.964 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.749 -3.581 6.249 1.00 0.00 C ATOM 0 H THR A 12 1.577 -3.150 9.288 1.00 0.00 H new ATOM 0 HA THR A 12 1.106 -1.869 6.813 1.00 0.00 H new ATOM 0 HB THR A 12 -0.977 -3.393 8.343 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.539 -5.237 7.353 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.290 -4.526 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.436 -2.759 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.047 -3.580 5.504 1.00 0.00 H new ATOM 188 N GLN A 13 -0.751 -0.910 9.368 1.00 0.00 N ATOM 189 CA GLN A 13 -1.576 0.151 9.887 1.00 0.00 C ATOM 190 C GLN A 13 -0.874 1.483 9.670 1.00 0.00 C ATOM 191 O GLN A 13 -1.487 2.387 9.123 1.00 0.00 O ATOM 192 CB GLN A 13 -1.877 -0.126 11.361 1.00 0.00 C ATOM 193 CG GLN A 13 -2.831 -1.317 11.523 1.00 0.00 C ATOM 194 CD GLN A 13 -2.953 -1.725 12.986 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.262 -2.632 13.441 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.826 -1.059 13.739 1.00 0.00 N ATOM 0 H GLN A 13 -0.535 -1.631 10.056 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.530 0.199 9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.947 -0.328 11.892 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.318 0.760 11.817 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.814 -1.056 11.132 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.468 -2.161 10.936 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.385 -0.310 13.330 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.936 -1.297 14.725 1.00 0.00 H new ATOM 205 N ASN A 14 0.405 1.597 10.032 1.00 0.00 N ATOM 206 CA ASN A 14 1.192 2.805 9.821 1.00 0.00 C ATOM 207 C ASN A 14 1.167 3.213 8.348 1.00 0.00 C ATOM 208 O ASN A 14 0.823 4.350 8.032 1.00 0.00 O ATOM 209 CB ASN A 14 2.626 2.603 10.334 1.00 0.00 C ATOM 210 CG ASN A 14 3.478 3.867 10.259 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.000 4.947 9.939 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.768 3.746 10.566 1.00 0.00 N ATOM 0 H ASN A 14 0.925 0.845 10.484 1.00 0.00 H new ATOM 0 HA ASN A 14 0.749 3.621 10.391 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.590 2.259 11.368 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.105 1.815 9.752 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.378 4.563 10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.146 2.836 10.830 1.00 0.00 H new ATOM 219 N LEU A 15 1.484 2.293 7.428 1.00 0.00 N ATOM 220 CA LEU A 15 1.438 2.625 6.005 1.00 0.00 C ATOM 221 C LEU A 15 0.040 3.072 5.575 1.00 0.00 C ATOM 222 O LEU A 15 -0.102 4.073 4.876 1.00 0.00 O ATOM 223 CB LEU A 15 1.921 1.466 5.126 1.00 0.00 C ATOM 224 CG LEU A 15 3.442 1.257 5.141 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.788 0.226 4.060 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.221 2.545 4.838 1.00 0.00 C ATOM 0 H LEU A 15 1.768 1.336 7.639 1.00 0.00 H new ATOM 0 HA LEU A 15 2.124 3.460 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.436 0.547 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.600 1.645 4.100 1.00 0.00 H new ATOM 0 HG LEU A 15 3.724 0.925 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.865 0.058 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.277 -0.712 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.469 0.598 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.291 2.337 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.945 2.913 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.981 3.300 5.587 1.00 0.00 H new ATOM 238 N GLY A 16 -0.996 2.352 6.000 1.00 0.00 N ATOM 239 CA GLY A 16 -2.374 2.739 5.742 1.00 0.00 C ATOM 240 C GLY A 16 -2.668 4.128 6.304 1.00 0.00 C ATOM 241 O GLY A 16 -3.353 4.936 5.675 1.00 0.00 O ATOM 0 H GLY A 16 -0.900 1.487 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.563 2.730 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.050 2.011 6.191 1.00 0.00 H new ATOM 245 N LYS A 17 -2.134 4.412 7.490 1.00 0.00 N ATOM 246 CA LYS A 17 -2.375 5.667 8.171 1.00 0.00 C ATOM 247 C LYS A 17 -1.765 6.771 7.319 1.00 0.00 C ATOM 248 O LYS A 17 -2.433 7.733 6.963 1.00 0.00 O ATOM 249 CB LYS A 17 -1.761 5.642 9.581 1.00 0.00 C ATOM 250 CG LYS A 17 -2.571 6.449 10.599 1.00 0.00 C ATOM 251 CD LYS A 17 -2.831 7.860 10.069 1.00 0.00 C ATOM 252 CE LYS A 17 -3.465 8.782 11.116 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.542 9.077 12.226 1.00 0.00 N ATOM 0 H LYS A 17 -1.523 3.774 8.000 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.444 5.841 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.686 4.609 9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.746 6.037 9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.518 5.948 10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.031 6.502 11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.890 8.295 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.486 7.801 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.769 9.714 10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.368 8.316 11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.943 9.831 12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.404 8.221 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.627 9.388 11.843 1.00 0.00 H new ATOM 267 N PHE A 18 -0.492 6.599 6.970 1.00 0.00 N ATOM 268 CA PHE A 18 0.235 7.460 6.055 1.00 0.00 C ATOM 269 C PHE A 18 -0.546 7.656 4.756 1.00 0.00 C ATOM 270 O PHE A 18 -0.676 8.780 4.283 1.00 0.00 O ATOM 271 CB PHE A 18 1.640 6.893 5.812 1.00 0.00 C ATOM 272 CG PHE A 18 2.314 7.448 4.574 1.00 0.00 C ATOM 273 CD1 PHE A 18 2.640 8.815 4.512 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.390 6.658 3.411 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.042 9.390 3.295 1.00 0.00 C ATOM 276 CE2 PHE A 18 2.809 7.229 2.198 1.00 0.00 C ATOM 277 CZ PHE A 18 3.123 8.599 2.137 1.00 0.00 C ATOM 0 H PHE A 18 0.075 5.831 7.330 1.00 0.00 H new ATOM 0 HA PHE A 18 0.349 8.447 6.502 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.263 7.105 6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.575 5.809 5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.581 9.424 5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.126 5.612 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.289 10.440 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.890 6.616 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.426 9.042 1.200 1.00 0.00 H new ATOM 287 N ALA A 19 -1.091 6.578 4.188 1.00 0.00 N ATOM 288 CA ALA A 19 -1.864 6.659 2.958 1.00 0.00 C ATOM 289 C ALA A 19 -3.033 7.626 3.137 1.00 0.00 C ATOM 290 O ALA A 19 -3.212 8.552 2.347 1.00 0.00 O ATOM 291 CB ALA A 19 -2.333 5.269 2.519 1.00 0.00 C ATOM 0 H ALA A 19 -1.007 5.635 4.568 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.228 7.048 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.909 5.354 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.467 4.630 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.958 4.833 3.298 1.00 0.00 H new ATOM 297 N VAL A 20 -3.813 7.435 4.202 1.00 0.00 N ATOM 298 CA VAL A 20 -4.927 8.333 4.483 1.00 0.00 C ATOM 299 C VAL A 20 -4.430 9.746 4.780 1.00 0.00 C ATOM 300 O VAL A 20 -5.027 10.713 4.316 1.00 0.00 O ATOM 301 CB VAL A 20 -5.824 7.790 5.603 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.926 8.803 5.942 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.478 6.488 5.129 1.00 0.00 C ATOM 0 H VAL A 20 -3.695 6.677 4.874 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.545 8.387 3.587 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.217 7.612 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.555 8.404 6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.472 9.738 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.535 8.988 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.118 6.094 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.078 6.685 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.704 5.758 4.891 1.00 0.00 H new ATOM 313 N ASP A 21 -3.347 9.886 5.547 1.00 0.00 N ATOM 314 CA ASP A 21 -2.777 11.176 5.891 1.00 0.00 C ATOM 315 C ASP A 21 -2.435 11.938 4.613 1.00 0.00 C ATOM 316 O ASP A 21 -2.825 13.088 4.462 1.00 0.00 O ATOM 317 CB ASP A 21 -1.553 10.985 6.789 1.00 0.00 C ATOM 318 CG ASP A 21 -0.881 12.323 7.081 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.380 13.023 7.989 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.119 12.621 6.390 1.00 0.00 O ATOM 0 H ASP A 21 -2.841 9.096 5.947 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.502 11.767 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.853 10.512 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.843 10.314 6.306 1.00 0.00 H new ATOM 325 N GLU A 22 -1.747 11.277 3.685 1.00 0.00 N ATOM 326 CA GLU A 22 -1.413 11.805 2.376 1.00 0.00 C ATOM 327 C GLU A 22 -2.699 12.206 1.647 1.00 0.00 C ATOM 328 O GLU A 22 -2.824 13.336 1.173 1.00 0.00 O ATOM 329 CB GLU A 22 -0.611 10.749 1.584 1.00 0.00 C ATOM 330 CG GLU A 22 -0.026 11.306 0.279 1.00 0.00 C ATOM 331 CD GLU A 22 1.093 12.308 0.540 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.216 11.836 0.827 1.00 0.00 O ATOM 333 OE2 GLU A 22 0.806 13.522 0.457 1.00 0.00 O ATOM 0 H GLU A 22 -1.398 10.330 3.834 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.790 12.694 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.199 10.370 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.259 9.903 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.356 10.485 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.817 11.787 -0.297 1.00 0.00 H new ATOM 340 N GLU A 23 -3.658 11.279 1.561 1.00 0.00 N ATOM 341 CA GLU A 23 -4.882 11.477 0.811 1.00 0.00 C ATOM 342 C GLU A 23 -5.629 12.711 1.326 1.00 0.00 C ATOM 343 O GLU A 23 -6.082 13.543 0.540 1.00 0.00 O ATOM 344 CB GLU A 23 -5.719 10.195 0.924 1.00 0.00 C ATOM 345 CG GLU A 23 -6.899 10.157 -0.050 1.00 0.00 C ATOM 346 CD GLU A 23 -6.493 10.059 -1.521 1.00 0.00 C ATOM 347 OE1 GLU A 23 -5.327 9.690 -1.793 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.372 10.347 -2.364 1.00 0.00 O ATOM 0 H GLU A 23 -3.598 10.368 2.016 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.668 11.665 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.078 9.333 0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.094 10.103 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.533 9.306 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.501 11.055 0.090 1.00 0.00 H new ATOM 355 N ASN A 24 -5.725 12.831 2.649 1.00 0.00 N ATOM 356 CA ASN A 24 -6.350 13.926 3.355 1.00 0.00 C ATOM 357 C ASN A 24 -5.551 15.212 3.168 1.00 0.00 C ATOM 358 O ASN A 24 -6.137 16.270 2.959 1.00 0.00 O ATOM 359 CB ASN A 24 -6.409 13.569 4.846 1.00 0.00 C ATOM 360 CG ASN A 24 -7.458 12.520 5.198 1.00 0.00 C ATOM 361 OD1 ASN A 24 -8.086 11.916 4.336 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.688 12.315 6.491 1.00 0.00 N ATOM 0 H ASN A 24 -5.347 12.126 3.281 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.353 14.087 2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.430 13.207 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.612 14.475 5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.399 11.644 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.154 12.829 7.192 1.00 0.00 H new ATOM 369 N LYS A 25 -4.223 15.133 3.273 1.00 0.00 N ATOM 370 CA LYS A 25 -3.351 16.295 3.172 1.00 0.00 C ATOM 371 C LYS A 25 -3.480 16.928 1.787 1.00 0.00 C ATOM 372 O LYS A 25 -3.587 18.147 1.676 1.00 0.00 O ATOM 373 CB LYS A 25 -1.909 15.893 3.509 1.00 0.00 C ATOM 374 CG LYS A 25 -0.962 17.096 3.585 1.00 0.00 C ATOM 375 CD LYS A 25 0.409 16.633 4.092 1.00 0.00 C ATOM 376 CE LYS A 25 1.364 17.823 4.233 1.00 0.00 C ATOM 377 NZ LYS A 25 2.671 17.400 4.766 1.00 0.00 N ATOM 0 H LYS A 25 -3.725 14.257 3.431 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.652 17.052 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.897 15.365 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.545 15.196 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.862 17.557 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.372 17.854 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.297 16.134 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.830 15.902 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.502 18.299 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.923 18.569 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.296 18.227 4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.540 16.968 5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.101 16.706 4.122 1.00 0.00 H new ATOM 391 N ILE A 26 -3.483 16.105 0.734 1.00 0.00 N ATOM 392 CA ILE A 26 -3.766 16.589 -0.612 1.00 0.00 C ATOM 393 C ILE A 26 -5.239 17.015 -0.687 1.00 0.00 C ATOM 394 O ILE A 26 -5.561 18.056 -1.256 1.00 0.00 O ATOM 395 CB ILE A 26 -3.405 15.522 -1.665 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.923 15.111 -1.545 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.662 16.078 -3.076 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.582 13.885 -2.397 1.00 0.00 C ATOM 0 H ILE A 26 -3.293 15.105 0.792 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.147 17.458 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.028 14.645 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.292 15.947 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.692 14.899 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.406 15.321 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.715 16.343 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.048 16.964 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.527 13.639 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.191 13.039 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.785 14.103 -3.446 1.00 0.00 H new ATOM 410 N GLY A 27 -6.135 16.202 -0.121 1.00 0.00 N ATOM 411 CA GLY A 27 -7.550 16.510 0.024 1.00 0.00 C ATOM 412 C GLY A 27 -8.390 15.992 -1.143 1.00 0.00 C ATOM 413 O GLY A 27 -9.560 16.348 -1.245 1.00 0.00 O ATOM 0 H GLY A 27 -5.884 15.289 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.919 16.075 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.676 17.590 0.106 1.00 0.00 H new ATOM 417 N GLN A 28 -7.828 15.122 -1.991 1.00 0.00 N ATOM 418 CA GLN A 28 -8.508 14.546 -3.148 1.00 0.00 C ATOM 419 C GLN A 28 -9.896 14.012 -2.786 1.00 0.00 C ATOM 420 O GLN A 28 -10.866 14.263 -3.493 1.00 0.00 O ATOM 421 CB GLN A 28 -7.652 13.412 -3.737 1.00 0.00 C ATOM 422 CG GLN A 28 -6.438 13.913 -4.520 1.00 0.00 C ATOM 423 CD GLN A 28 -6.833 14.535 -5.860 1.00 0.00 C ATOM 424 OE1 GLN A 28 -7.315 13.842 -6.752 1.00 0.00 O ATOM 425 NE2 GLN A 28 -6.633 15.841 -6.024 1.00 0.00 N ATOM 0 H GLN A 28 -6.868 14.795 -1.886 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.640 15.337 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.312 12.765 -2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.272 12.802 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.901 14.650 -3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.752 13.084 -4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.231 16.394 -5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.882 16.288 -6.906 1.00 0.00 H new ATOM 434 N TYR A 29 -9.976 13.272 -1.677 1.00 0.00 N ATOM 435 CA TYR A 29 -11.210 12.690 -1.158 1.00 0.00 C ATOM 436 C TYR A 29 -11.625 13.372 0.153 1.00 0.00 C ATOM 437 O TYR A 29 -12.356 12.794 0.963 1.00 0.00 O ATOM 438 CB TYR A 29 -11.019 11.176 -1.013 1.00 0.00 C ATOM 439 CG TYR A 29 -11.647 10.348 -2.143 1.00 0.00 C ATOM 440 CD1 TYR A 29 -13.024 10.108 -2.132 1.00 0.00 C ATOM 441 CD2 TYR A 29 -10.860 9.829 -3.177 1.00 0.00 C ATOM 442 CE1 TYR A 29 -13.615 9.363 -3.153 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.442 9.041 -4.174 1.00 0.00 C ATOM 444 CZ TYR A 29 -12.826 8.826 -4.174 1.00 0.00 C ATOM 445 OH TYR A 29 -13.418 8.034 -5.128 1.00 0.00 O ATOM 0 H TYR A 29 -9.161 13.057 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.031 12.860 -1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.952 10.959 -0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.448 10.857 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.632 10.500 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.801 10.038 -3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.683 9.201 -3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.826 8.599 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.884 7.222 -5.257 1.00 0.00 H new ATOM 455 N GLY A 30 -11.180 14.615 0.369 1.00 0.00 N ATOM 456 CA GLY A 30 -11.418 15.322 1.619 1.00 0.00 C ATOM 457 C GLY A 30 -10.804 14.574 2.805 1.00 0.00 C ATOM 458 O GLY A 30 -9.890 13.770 2.640 1.00 0.00 O ATOM 0 H GLY A 30 -10.649 15.151 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.994 16.324 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.490 15.439 1.775 1.00 0.00 H new ATOM 462 N ARG A 31 -11.307 14.850 4.009 1.00 0.00 N ATOM 463 CA ARG A 31 -10.844 14.219 5.233 1.00 0.00 C ATOM 464 C ARG A 31 -11.484 12.839 5.409 1.00 0.00 C ATOM 465 O ARG A 31 -12.528 12.717 6.047 1.00 0.00 O ATOM 466 CB ARG A 31 -11.145 15.115 6.440 1.00 0.00 C ATOM 467 CG ARG A 31 -10.191 16.313 6.513 1.00 0.00 C ATOM 468 CD ARG A 31 -10.442 17.089 7.807 1.00 0.00 C ATOM 469 NE ARG A 31 -9.387 18.085 8.043 1.00 0.00 N ATOM 470 CZ ARG A 31 -9.238 18.770 9.186 1.00 0.00 C ATOM 471 NH1 ARG A 31 -10.132 18.640 10.171 1.00 0.00 N ATOM 472 NH2 ARG A 31 -8.187 19.583 9.336 1.00 0.00 N ATOM 0 H ARG A 31 -12.056 15.527 4.157 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.765 14.083 5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.173 15.472 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.064 14.530 7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.157 15.970 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.341 16.964 5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.410 17.587 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.486 16.396 8.647 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.725 18.267 7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.932 18.018 10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.014 19.163 11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.505 19.679 8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.067 20.107 10.203 1.00 0.00 H new ATOM 486 N LEU A 32 -10.845 11.792 4.884 1.00 0.00 N ATOM 487 CA LEU A 32 -11.236 10.424 5.179 1.00 0.00 C ATOM 488 C LEU A 32 -10.819 10.097 6.619 1.00 0.00 C ATOM 489 O LEU A 32 -9.739 10.488 7.064 1.00 0.00 O ATOM 490 CB LEU A 32 -10.541 9.463 4.213 1.00 0.00 C ATOM 491 CG LEU A 32 -10.934 9.666 2.745 1.00 0.00 C ATOM 492 CD1 LEU A 32 -9.788 9.134 1.878 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.230 8.915 2.420 1.00 0.00 C ATOM 0 H LEU A 32 -10.051 11.873 4.249 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.315 10.316 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.462 9.583 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.775 8.439 4.503 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.107 10.724 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.038 9.264 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.875 9.684 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.635 8.075 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.490 9.073 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.088 7.850 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.035 9.287 3.054 1.00 0.00 H new ATOM 505 N THR A 33 -11.664 9.368 7.350 1.00 0.00 N ATOM 506 CA THR A 33 -11.395 8.977 8.724 1.00 0.00 C ATOM 507 C THR A 33 -10.793 7.572 8.706 1.00 0.00 C ATOM 508 O THR A 33 -11.537 6.592 8.668 1.00 0.00 O ATOM 509 CB THR A 33 -12.699 9.047 9.527 1.00 0.00 C ATOM 510 OG1 THR A 33 -13.230 10.354 9.432 1.00 0.00 O ATOM 511 CG2 THR A 33 -12.477 8.733 11.009 1.00 0.00 C ATOM 0 H THR A 33 -12.560 9.032 6.997 1.00 0.00 H new ATOM 0 HA THR A 33 -10.683 9.648 9.205 1.00 0.00 H new ATOM 0 HB THR A 33 -13.382 8.305 9.112 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.065 10.406 9.942 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.427 8.794 11.540 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.068 7.728 11.111 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.777 9.454 11.433 1.00 0.00 H new ATOM 519 N PHE A 34 -9.457 7.467 8.698 1.00 0.00 N ATOM 520 CA PHE A 34 -8.782 6.174 8.742 1.00 0.00 C ATOM 521 C PHE A 34 -9.357 5.304 9.851 1.00 0.00 C ATOM 522 O PHE A 34 -9.468 5.742 10.994 1.00 0.00 O ATOM 523 CB PHE A 34 -7.282 6.342 8.957 1.00 0.00 C ATOM 524 CG PHE A 34 -6.514 5.050 9.174 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.257 4.190 8.089 1.00 0.00 C ATOM 526 CD2 PHE A 34 -6.031 4.719 10.453 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.429 3.070 8.261 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.197 3.601 10.623 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.864 2.800 9.517 1.00 0.00 C ATOM 0 H PHE A 34 -8.826 8.268 8.661 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.946 5.687 7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.862 6.855 8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.124 6.989 9.820 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.697 4.392 7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.301 5.325 11.305 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.226 2.415 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.812 3.357 11.602 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.174 1.977 9.634 1.00 0.00 H new ATOM 539 N ASN A 35 -9.711 4.074 9.487 1.00 0.00 N ATOM 540 CA ASN A 35 -10.241 3.080 10.403 1.00 0.00 C ATOM 541 C ASN A 35 -9.129 2.095 10.721 1.00 0.00 C ATOM 542 O ASN A 35 -8.714 1.975 11.871 1.00 0.00 O ATOM 543 CB ASN A 35 -11.452 2.382 9.771 1.00 0.00 C ATOM 544 CG ASN A 35 -12.448 1.921 10.823 1.00 0.00 C ATOM 545 OD1 ASN A 35 -12.475 0.751 11.191 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.285 2.838 11.299 1.00 0.00 N ATOM 0 H ASN A 35 -9.634 3.738 8.527 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.582 3.545 11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.944 3.064 9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.115 1.525 9.189 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.983 2.579 11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.229 3.801 10.967 1.00 0.00 H new ATOM 553 N LYS A 36 -8.648 1.402 9.683 1.00 0.00 N ATOM 554 CA LYS A 36 -7.592 0.395 9.763 1.00 0.00 C ATOM 555 C LYS A 36 -7.232 -0.056 8.341 1.00 0.00 C ATOM 556 O LYS A 36 -7.542 0.646 7.380 1.00 0.00 O ATOM 557 CB LYS A 36 -7.988 -0.754 10.716 1.00 0.00 C ATOM 558 CG LYS A 36 -9.377 -1.352 10.451 1.00 0.00 C ATOM 559 CD LYS A 36 -9.699 -2.374 11.548 1.00 0.00 C ATOM 560 CE LYS A 36 -11.156 -2.839 11.453 1.00 0.00 C ATOM 561 NZ LYS A 36 -11.489 -3.767 12.548 1.00 0.00 N ATOM 0 H LYS A 36 -8.997 1.534 8.734 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.690 0.818 10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.244 -1.547 10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.955 -0.386 11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.130 -0.564 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.400 -1.831 9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.033 -3.232 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.518 -1.931 12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.820 -1.975 11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.323 -3.329 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.481 -4.066 12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.870 -4.601 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.351 -3.290 13.462 1.00 0.00 H new ATOM 575 N VAL A 37 -6.582 -1.212 8.188 1.00 0.00 N ATOM 576 CA VAL A 37 -6.274 -1.836 6.907 1.00 0.00 C ATOM 577 C VAL A 37 -6.663 -3.303 7.053 1.00 0.00 C ATOM 578 O VAL A 37 -6.510 -3.845 8.148 1.00 0.00 O ATOM 579 CB VAL A 37 -4.771 -1.713 6.600 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.458 -2.204 5.183 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.273 -0.272 6.720 1.00 0.00 C ATOM 0 H VAL A 37 -6.245 -1.755 8.983 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.812 -1.357 6.089 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.261 -2.332 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.389 -2.106 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.749 -3.250 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.012 -1.606 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.207 -0.235 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.815 0.360 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.441 0.088 7.735 1.00 0.00 H new ATOM 591 N ILE A 38 -7.161 -3.936 5.988 1.00 0.00 N ATOM 592 CA ILE A 38 -7.488 -5.355 5.999 1.00 0.00 C ATOM 593 C ILE A 38 -7.001 -6.025 4.710 1.00 0.00 C ATOM 594 O ILE A 38 -6.671 -5.352 3.734 1.00 0.00 O ATOM 595 CB ILE A 38 -8.985 -5.588 6.314 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.974 -4.814 5.425 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.283 -5.219 7.775 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.102 -5.399 4.021 1.00 0.00 C ATOM 0 H ILE A 38 -7.347 -3.476 5.097 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.952 -5.843 6.813 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.140 -6.648 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.955 -4.810 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.651 -3.776 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.339 -5.387 7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.679 -5.839 8.437 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.043 -4.169 7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.814 -4.808 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.130 -5.378 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.454 -6.429 4.087 1.00 0.00 H new ATOM 610 N ARG A 39 -6.912 -7.357 4.742 1.00 0.00 N ATOM 611 CA ARG A 39 -6.468 -8.187 3.630 1.00 0.00 C ATOM 612 C ARG A 39 -7.379 -8.008 2.403 1.00 0.00 C ATOM 613 O ARG A 39 -8.566 -7.740 2.577 1.00 0.00 O ATOM 614 CB ARG A 39 -6.383 -9.656 4.088 1.00 0.00 C ATOM 615 CG ARG A 39 -7.632 -10.240 4.778 1.00 0.00 C ATOM 616 CD ARG A 39 -7.656 -10.055 6.306 1.00 0.00 C ATOM 617 NE ARG A 39 -8.350 -11.166 6.976 1.00 0.00 N ATOM 618 CZ ARG A 39 -9.678 -11.314 7.075 1.00 0.00 C ATOM 619 NH1 ARG A 39 -10.506 -10.439 6.493 1.00 0.00 N ATOM 620 NH2 ARG A 39 -10.172 -12.347 7.765 1.00 0.00 N ATOM 0 H ARG A 39 -7.156 -7.900 5.570 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.472 -7.871 3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.156 -10.271 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.540 -9.751 4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.520 -9.772 4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.694 -11.304 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.635 -9.985 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.151 -9.115 6.551 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.769 -11.887 7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.128 -9.650 5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.515 -10.560 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.540 -13.013 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.181 -12.470 7.847 1.00 0.00 H new ATOM 634 N PRO A 40 -6.882 -8.184 1.162 1.00 0.00 N ATOM 635 CA PRO A 40 -5.544 -8.635 0.789 1.00 0.00 C ATOM 636 C PRO A 40 -4.502 -7.518 0.896 1.00 0.00 C ATOM 637 O PRO A 40 -4.704 -6.417 0.372 1.00 0.00 O ATOM 638 CB PRO A 40 -5.671 -9.127 -0.654 1.00 0.00 C ATOM 639 CG PRO A 40 -6.799 -8.262 -1.219 1.00 0.00 C ATOM 640 CD PRO A 40 -7.728 -8.094 -0.017 1.00 0.00 C ATOM 0 HA PRO A 40 -5.196 -9.417 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.743 -8.991 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.916 -10.188 -0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.430 -7.303 -1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.302 -8.748 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.244 -7.134 -0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.495 -8.868 -0.006 1.00 0.00 H new ATOM 648 N CYS A 41 -3.383 -7.828 1.559 1.00 0.00 N ATOM 649 CA CYS A 41 -2.263 -6.923 1.764 1.00 0.00 C ATOM 650 C CYS A 41 -1.019 -7.629 1.243 1.00 0.00 C ATOM 651 O CYS A 41 -0.515 -8.507 1.937 1.00 0.00 O ATOM 652 CB CYS A 41 -2.093 -6.593 3.255 1.00 0.00 C ATOM 653 SG CYS A 41 -3.517 -5.670 3.864 1.00 0.00 S ATOM 0 H CYS A 41 -3.234 -8.746 1.978 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.433 -5.983 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.978 -7.514 3.826 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.184 -6.010 3.403 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.144 -4.884 4.830 1.00 0.00 H new ATOM 659 N MET A 42 -0.561 -7.311 0.033 1.00 0.00 N ATOM 660 CA MET A 42 0.562 -7.982 -0.608 1.00 0.00 C ATOM 661 C MET A 42 1.725 -7.026 -0.802 1.00 0.00 C ATOM 662 O MET A 42 1.521 -5.812 -0.831 1.00 0.00 O ATOM 663 CB MET A 42 0.158 -8.572 -1.968 1.00 0.00 C ATOM 664 CG MET A 42 -0.838 -9.711 -1.809 1.00 0.00 C ATOM 665 SD MET A 42 -1.439 -10.513 -3.314 1.00 0.00 S ATOM 666 CE MET A 42 -0.016 -11.547 -3.703 1.00 0.00 C ATOM 0 H MET A 42 -0.968 -6.568 -0.536 1.00 0.00 H new ATOM 0 HA MET A 42 0.870 -8.794 0.051 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.278 -7.790 -2.590 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.046 -8.934 -2.487 1.00 0.00 H new ATOM 0 HG2 MET A 42 -0.378 -10.475 -1.182 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.701 -9.329 -1.264 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.157 -12.006 -4.682 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.886 -10.935 -3.715 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.085 -12.326 -2.948 1.00 0.00 H new ATOM 676 N LYS A 43 2.930 -7.574 -0.987 1.00 0.00 N ATOM 677 CA LYS A 43 4.063 -6.806 -1.439 1.00 0.00 C ATOM 678 C LYS A 43 4.770 -7.573 -2.539 1.00 0.00 C ATOM 679 O LYS A 43 4.614 -8.800 -2.634 1.00 0.00 O ATOM 680 CB LYS A 43 4.979 -6.474 -0.262 1.00 0.00 C ATOM 681 CG LYS A 43 5.913 -7.608 0.192 1.00 0.00 C ATOM 682 CD LYS A 43 6.878 -7.056 1.247 1.00 0.00 C ATOM 683 CE LYS A 43 7.929 -8.093 1.653 1.00 0.00 C ATOM 684 NZ LYS A 43 8.863 -7.528 2.644 1.00 0.00 N ATOM 0 H LYS A 43 3.133 -8.560 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 43 3.738 -5.852 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.588 -5.611 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.360 -6.176 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.333 -8.433 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.469 -8.004 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.375 -6.168 0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.315 -6.745 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.438 -8.972 2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.481 -8.423 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.568 -8.247 2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.346 -6.703 2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.335 -7.235 3.491 1.00 0.00 H new ATOM 698 N LYS A 44 5.539 -6.847 -3.357 1.00 0.00 N ATOM 699 CA LYS A 44 6.424 -7.421 -4.368 1.00 0.00 C ATOM 700 C LYS A 44 7.598 -6.454 -4.550 1.00 0.00 C ATOM 701 O LYS A 44 7.601 -5.379 -3.946 1.00 0.00 O ATOM 702 CB LYS A 44 5.609 -7.727 -5.630 1.00 0.00 C ATOM 703 CG LYS A 44 6.311 -8.605 -6.675 1.00 0.00 C ATOM 704 CD LYS A 44 6.784 -7.770 -7.868 1.00 0.00 C ATOM 705 CE LYS A 44 7.752 -8.588 -8.730 1.00 0.00 C ATOM 706 NZ LYS A 44 8.293 -7.765 -9.825 1.00 0.00 N ATOM 0 H LYS A 44 5.562 -5.828 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 44 6.855 -8.379 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.682 -8.218 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.333 -6.783 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.163 -9.108 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.629 -9.382 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.928 -7.457 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.275 -6.863 -7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.568 -8.964 -8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.237 -9.456 -9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.947 -8.336 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.513 -7.427 -10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.802 -6.950 -9.428 1.00 0.00 H new ATOM 720 N THR A 45 8.606 -6.847 -5.330 1.00 0.00 N ATOM 721 CA THR A 45 9.862 -6.112 -5.497 1.00 0.00 C ATOM 722 C THR A 45 9.864 -5.255 -6.775 1.00 0.00 C ATOM 723 O THR A 45 9.493 -5.742 -7.840 1.00 0.00 O ATOM 724 CB THR A 45 11.008 -7.120 -5.486 1.00 0.00 C ATOM 725 OG1 THR A 45 10.890 -7.926 -4.322 1.00 0.00 O ATOM 726 CG2 THR A 45 12.372 -6.429 -5.448 1.00 0.00 C ATOM 0 H THR A 45 8.571 -7.707 -5.877 1.00 0.00 H new ATOM 0 HA THR A 45 9.984 -5.409 -4.673 1.00 0.00 H new ATOM 0 HB THR A 45 10.945 -7.714 -6.398 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.080 -8.474 -4.384 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.161 -7.181 -5.441 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.483 -5.795 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.445 -5.818 -4.548 1.00 0.00 H new ATOM 734 N ILE A 46 10.326 -4.002 -6.671 1.00 0.00 N ATOM 735 CA ILE A 46 10.587 -3.081 -7.777 1.00 0.00 C ATOM 736 C ILE A 46 12.095 -3.060 -8.054 1.00 0.00 C ATOM 737 O ILE A 46 12.920 -3.024 -7.141 1.00 0.00 O ATOM 738 CB ILE A 46 9.988 -1.683 -7.502 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.836 -1.368 -8.472 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.989 -0.524 -7.609 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.616 -2.240 -8.192 1.00 0.00 C ATOM 0 H ILE A 46 10.538 -3.585 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 46 10.086 -3.427 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 46 9.646 -1.748 -6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.561 -0.317 -8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.169 -1.525 -9.498 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.480 0.417 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.793 -0.670 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.406 -0.495 -8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.822 -1.991 -8.895 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.885 -3.290 -8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.268 -2.063 -7.174 1.00 0.00 H new ATOM 753 N TYR A 47 12.458 -3.093 -9.331 1.00 0.00 N ATOM 754 CA TYR A 47 13.804 -3.269 -9.800 1.00 0.00 C ATOM 755 C TYR A 47 13.842 -2.802 -11.243 1.00 0.00 C ATOM 756 O TYR A 47 12.795 -2.489 -11.805 1.00 0.00 O ATOM 757 CB TYR A 47 14.188 -4.747 -9.681 1.00 0.00 C ATOM 758 CG TYR A 47 13.381 -5.737 -10.485 1.00 0.00 C ATOM 759 CD1 TYR A 47 13.865 -6.184 -11.728 1.00 0.00 C ATOM 760 CD2 TYR A 47 12.341 -6.439 -9.850 1.00 0.00 C ATOM 761 CE1 TYR A 47 13.310 -7.325 -12.332 1.00 0.00 C ATOM 762 CE2 TYR A 47 11.807 -7.595 -10.438 1.00 0.00 C ATOM 763 CZ TYR A 47 12.281 -8.031 -11.685 1.00 0.00 C ATOM 764 OH TYR A 47 11.763 -9.161 -12.241 1.00 0.00 O ATOM 0 H TYR A 47 11.785 -2.992 -10.090 1.00 0.00 H new ATOM 0 HA TYR A 47 14.517 -2.693 -9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.234 -4.849 -9.972 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.120 -5.030 -8.631 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.665 -5.649 -12.219 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.952 -6.087 -8.906 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.674 -7.659 -13.292 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.031 -8.150 -9.931 1.00 0.00 H new ATOM 0 HH TYR A 47 11.062 -9.520 -11.659 1.00 0.00 H new ATOM 774 N GLU A 48 15.029 -2.782 -11.840 1.00 0.00 N ATOM 775 CA GLU A 48 15.178 -2.504 -13.240 1.00 0.00 C ATOM 776 C GLU A 48 16.413 -3.239 -13.751 1.00 0.00 C ATOM 777 O GLU A 48 17.179 -3.825 -12.984 1.00 0.00 O ATOM 778 CB GLU A 48 15.258 -0.984 -13.489 1.00 0.00 C ATOM 779 CG GLU A 48 14.350 -0.548 -14.649 1.00 0.00 C ATOM 780 CD GLU A 48 14.552 0.922 -14.998 1.00 0.00 C ATOM 781 OE1 GLU A 48 15.685 1.251 -15.409 1.00 0.00 O ATOM 782 OE2 GLU A 48 13.579 1.689 -14.840 1.00 0.00 O ATOM 0 H GLU A 48 15.908 -2.960 -11.355 1.00 0.00 H new ATOM 0 HA GLU A 48 14.307 -2.860 -13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.971 -0.451 -12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.288 -0.705 -13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.558 -1.162 -15.525 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.308 -0.719 -14.380 1.00 0.00 H new ATOM 789 N ASN A 49 16.557 -3.177 -15.070 1.00 0.00 N ATOM 790 CA ASN A 49 17.644 -3.709 -15.866 1.00 0.00 C ATOM 791 C ASN A 49 18.877 -2.811 -15.812 1.00 0.00 C ATOM 792 O ASN A 49 19.973 -3.305 -16.044 1.00 0.00 O ATOM 793 CB ASN A 49 17.189 -3.804 -17.325 1.00 0.00 C ATOM 794 CG ASN A 49 16.951 -2.433 -17.964 1.00 0.00 C ATOM 795 OD1 ASN A 49 16.298 -1.584 -17.362 1.00 0.00 O ATOM 796 ND2 ASN A 49 17.481 -2.193 -19.159 1.00 0.00 N ATOM 0 H ASN A 49 15.858 -2.715 -15.652 1.00 0.00 H new ATOM 0 HA ASN A 49 17.906 -4.687 -15.463 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.942 -4.342 -17.901 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.270 -4.388 -17.377 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.351 -1.283 -19.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 18.018 -2.919 -19.634 1.00 0.00 H new ATOM 803 N GLU A 50 18.654 -1.505 -15.602 1.00 0.00 N ATOM 804 CA GLU A 50 19.622 -0.411 -15.610 1.00 0.00 C ATOM 805 C GLU A 50 21.089 -0.868 -15.518 1.00 0.00 C ATOM 806 O GLU A 50 21.648 -0.988 -14.424 1.00 0.00 O ATOM 807 CB GLU A 50 19.265 0.552 -14.470 1.00 0.00 C ATOM 808 CG GLU A 50 20.055 1.866 -14.512 1.00 0.00 C ATOM 809 CD GLU A 50 19.681 2.771 -13.341 1.00 0.00 C ATOM 810 OE1 GLU A 50 18.492 3.153 -13.274 1.00 0.00 O ATOM 811 OE2 GLU A 50 20.584 3.061 -12.527 1.00 0.00 O ATOM 0 H GLU A 50 17.713 -1.165 -15.407 1.00 0.00 H new ATOM 0 HA GLU A 50 19.553 0.089 -16.576 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.199 0.776 -14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.448 0.057 -13.516 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.123 1.652 -14.483 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.858 2.382 -15.452 1.00 0.00 H new ATOM 818 N GLY A 51 21.734 -1.116 -16.667 1.00 0.00 N ATOM 819 CA GLY A 51 23.109 -1.599 -16.715 1.00 0.00 C ATOM 820 C GLY A 51 23.187 -3.088 -16.369 1.00 0.00 C ATOM 821 O GLY A 51 23.611 -3.901 -17.191 1.00 0.00 O ATOM 0 H GLY A 51 21.311 -0.985 -17.586 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.521 -1.433 -17.710 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.722 -1.029 -16.017 1.00 0.00 H new ATOM 825 N PHE A 52 22.792 -3.438 -15.146 1.00 0.00 N ATOM 826 CA PHE A 52 22.648 -4.803 -14.677 1.00 0.00 C ATOM 827 C PHE A 52 21.422 -4.856 -13.762 1.00 0.00 C ATOM 828 O PHE A 52 21.004 -3.827 -13.228 1.00 0.00 O ATOM 829 CB PHE A 52 23.921 -5.209 -13.939 1.00 0.00 C ATOM 830 CG PHE A 52 24.034 -6.697 -13.664 1.00 0.00 C ATOM 831 CD1 PHE A 52 24.470 -7.564 -14.684 1.00 0.00 C ATOM 832 CD2 PHE A 52 23.696 -7.217 -12.400 1.00 0.00 C ATOM 833 CE1 PHE A 52 24.584 -8.943 -14.436 1.00 0.00 C ATOM 834 CE2 PHE A 52 23.799 -8.597 -12.157 1.00 0.00 C ATOM 835 CZ PHE A 52 24.250 -9.459 -13.172 1.00 0.00 C ATOM 0 H PHE A 52 22.556 -2.748 -14.433 1.00 0.00 H new ATOM 0 HA PHE A 52 22.504 -5.500 -15.502 1.00 0.00 H new ATOM 0 HB2 PHE A 52 24.784 -4.893 -14.525 1.00 0.00 H new ATOM 0 HB3 PHE A 52 23.965 -4.672 -12.992 1.00 0.00 H new ATOM 0 HD1 PHE A 52 24.717 -7.169 -15.658 1.00 0.00 H new ATOM 0 HD2 PHE A 52 23.357 -6.555 -11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 52 24.928 -9.606 -15.216 1.00 0.00 H new ATOM 0 HE2 PHE A 52 23.532 -8.996 -11.190 1.00 0.00 H new ATOM 0 HZ PHE A 52 24.340 -10.518 -12.980 1.00 0.00 H new ATOM 845 N ARG A 53 20.842 -6.048 -13.572 1.00 0.00 N ATOM 846 CA ARG A 53 19.694 -6.226 -12.693 1.00 0.00 C ATOM 847 C ARG A 53 20.012 -5.692 -11.297 1.00 0.00 C ATOM 848 O ARG A 53 21.016 -6.096 -10.709 1.00 0.00 O ATOM 849 CB ARG A 53 19.341 -7.710 -12.562 1.00 0.00 C ATOM 850 CG ARG A 53 18.701 -8.303 -13.819 1.00 0.00 C ATOM 851 CD ARG A 53 18.217 -9.722 -13.493 1.00 0.00 C ATOM 852 NE ARG A 53 17.494 -10.320 -14.621 1.00 0.00 N ATOM 853 CZ ARG A 53 16.826 -11.481 -14.552 1.00 0.00 C ATOM 854 NH1 ARG A 53 16.817 -12.190 -13.415 1.00 0.00 N ATOM 855 NH2 ARG A 53 16.166 -11.930 -15.625 1.00 0.00 N ATOM 0 H ARG A 53 21.157 -6.907 -14.023 1.00 0.00 H new ATOM 0 HA ARG A 53 18.855 -5.681 -13.126 1.00 0.00 H new ATOM 0 HB2 ARG A 53 20.246 -8.270 -12.327 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.659 -7.839 -11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.866 -7.684 -14.148 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.422 -8.327 -14.636 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.071 -10.348 -13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.567 -9.693 -12.618 1.00 0.00 H new ATOM 0 HE ARG A 53 17.500 -9.823 -15.512 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.320 -11.847 -12.596 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.307 -13.072 -13.368 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.172 -11.390 -16.490 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.656 -12.812 -15.578 1.00 0.00 H new ATOM 869 N GLU A 54 19.143 -4.844 -10.734 1.00 0.00 N ATOM 870 CA GLU A 54 19.247 -4.462 -9.335 1.00 0.00 C ATOM 871 C GLU A 54 17.884 -4.051 -8.782 1.00 0.00 C ATOM 872 O GLU A 54 17.145 -3.309 -9.433 1.00 0.00 O ATOM 873 CB GLU A 54 20.306 -3.361 -9.161 1.00 0.00 C ATOM 874 CG GLU A 54 20.716 -3.151 -7.695 1.00 0.00 C ATOM 875 CD GLU A 54 21.353 -4.400 -7.088 1.00 0.00 C ATOM 876 OE1 GLU A 54 22.582 -4.555 -7.257 1.00 0.00 O ATOM 877 OE2 GLU A 54 20.592 -5.181 -6.474 1.00 0.00 O ATOM 0 H GLU A 54 18.363 -4.414 -11.231 1.00 0.00 H new ATOM 0 HA GLU A 54 19.575 -5.324 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.189 -3.617 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.918 -2.425 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.418 -2.320 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.839 -2.872 -7.111 1.00 0.00 H new ATOM 884 N ILE A 55 17.556 -4.545 -7.581 1.00 0.00 N ATOM 885 CA ILE A 55 16.396 -4.149 -6.808 1.00 0.00 C ATOM 886 C ILE A 55 16.535 -2.693 -6.387 1.00 0.00 C ATOM 887 O ILE A 55 17.559 -2.310 -5.820 1.00 0.00 O ATOM 888 CB ILE A 55 16.228 -5.103 -5.612 1.00 0.00 C ATOM 889 CG1 ILE A 55 15.926 -6.523 -6.138 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.123 -4.593 -4.674 1.00 0.00 C ATOM 891 CD1 ILE A 55 15.992 -7.602 -5.056 1.00 0.00 C ATOM 0 H ILE A 55 18.118 -5.256 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 55 15.490 -4.222 -7.410 1.00 0.00 H new ATOM 0 HB ILE A 55 17.150 -5.140 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.933 -6.531 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.636 -6.768 -6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.015 -5.278 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.388 -3.603 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.181 -4.537 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.769 -8.574 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.992 -7.621 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.262 -7.381 -4.277 1.00 0.00 H new ATOM 903 N LYS A 56 15.504 -1.892 -6.670 1.00 0.00 N ATOM 904 CA LYS A 56 15.460 -0.479 -6.326 1.00 0.00 C ATOM 905 C LYS A 56 14.465 -0.234 -5.196 1.00 0.00 C ATOM 906 O LYS A 56 14.573 0.767 -4.491 1.00 0.00 O ATOM 907 CB LYS A 56 15.140 0.345 -7.588 1.00 0.00 C ATOM 908 CG LYS A 56 15.360 1.841 -7.343 1.00 0.00 C ATOM 909 CD LYS A 56 15.268 2.631 -8.653 1.00 0.00 C ATOM 910 CE LYS A 56 15.532 4.114 -8.382 1.00 0.00 C ATOM 911 NZ LYS A 56 15.500 4.899 -9.627 1.00 0.00 N ATOM 0 H LYS A 56 14.666 -2.218 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 56 16.433 -0.156 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.771 0.012 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.106 0.171 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.616 2.211 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.337 1.999 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.993 2.248 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.281 2.503 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.784 4.498 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.503 4.231 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.682 5.900 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.230 4.547 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.565 4.806 -10.072 1.00 0.00 H new ATOM 925 N GLY A 57 13.492 -1.127 -4.993 1.00 0.00 N ATOM 926 CA GLY A 57 12.456 -0.897 -4.003 1.00 0.00 C ATOM 927 C GLY A 57 11.474 -2.052 -3.948 1.00 0.00 C ATOM 928 O GLY A 57 11.765 -3.140 -4.438 1.00 0.00 O ATOM 0 H GLY A 57 13.407 -2.007 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.912 -0.759 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.923 0.024 -4.239 1.00 0.00 H new ATOM 932 N TYR A 58 10.308 -1.806 -3.361 1.00 0.00 N ATOM 933 CA TYR A 58 9.206 -2.739 -3.276 1.00 0.00 C ATOM 934 C TYR A 58 7.915 -1.946 -3.436 1.00 0.00 C ATOM 935 O TYR A 58 7.899 -0.758 -3.119 1.00 0.00 O ATOM 936 CB TYR A 58 9.209 -3.435 -1.911 1.00 0.00 C ATOM 937 CG TYR A 58 10.569 -3.906 -1.433 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.397 -3.034 -0.701 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.073 -5.151 -1.852 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.726 -3.386 -0.420 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.408 -5.503 -1.579 1.00 0.00 C ATOM 942 CZ TYR A 58 13.235 -4.610 -0.875 1.00 0.00 C ATOM 943 OH TYR A 58 14.540 -4.925 -0.628 1.00 0.00 O ATOM 0 H TYR A 58 10.103 -0.912 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 58 9.295 -3.499 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.798 -2.750 -1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.540 -4.294 -1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.007 -2.089 -0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.433 -5.839 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.355 -2.715 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.796 -6.455 -1.909 1.00 0.00 H new ATOM 0 HH TYR A 58 15.048 -4.104 -0.457 1.00 0.00 H new ATOM 953 N GLU A 59 6.855 -2.611 -3.891 1.00 0.00 N ATOM 954 CA GLU A 59 5.505 -2.090 -3.864 1.00 0.00 C ATOM 955 C GLU A 59 4.726 -2.862 -2.807 1.00 0.00 C ATOM 956 O GLU A 59 5.027 -4.031 -2.563 1.00 0.00 O ATOM 957 CB GLU A 59 4.813 -2.119 -5.240 1.00 0.00 C ATOM 958 CG GLU A 59 4.371 -3.486 -5.793 1.00 0.00 C ATOM 959 CD GLU A 59 5.396 -4.154 -6.706 1.00 0.00 C ATOM 960 OE1 GLU A 59 6.548 -4.324 -6.255 1.00 0.00 O ATOM 961 OE2 GLU A 59 5.007 -4.498 -7.845 1.00 0.00 O ATOM 0 H GLU A 59 6.920 -3.545 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 59 5.538 -1.032 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.932 -1.479 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.490 -1.668 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.158 -4.152 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.439 -3.358 -6.344 1.00 0.00 H new ATOM 968 N TYR A 60 3.739 -2.203 -2.196 1.00 0.00 N ATOM 969 CA TYR A 60 2.819 -2.776 -1.232 1.00 0.00 C ATOM 970 C TYR A 60 1.416 -2.412 -1.696 1.00 0.00 C ATOM 971 O TYR A 60 1.126 -1.227 -1.818 1.00 0.00 O ATOM 972 CB TYR A 60 3.067 -2.182 0.156 1.00 0.00 C ATOM 973 CG TYR A 60 4.369 -2.606 0.809 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.581 -1.988 0.455 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.357 -3.619 1.784 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.781 -2.404 1.055 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.552 -4.011 2.406 1.00 0.00 C ATOM 978 CZ TYR A 60 6.767 -3.421 2.024 1.00 0.00 C ATOM 979 OH TYR A 60 7.929 -3.846 2.599 1.00 0.00 O ATOM 0 H TYR A 60 3.558 -1.215 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 60 2.952 -3.856 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.054 -1.095 0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.241 -2.464 0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.589 -1.194 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.427 -4.096 2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.715 -1.942 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.537 -4.766 3.178 1.00 0.00 H new ATOM 0 HH TYR A 60 7.733 -4.554 3.248 1.00 0.00 H new ATOM 989 N GLN A 61 0.571 -3.408 -1.953 1.00 0.00 N ATOM 990 CA GLN A 61 -0.833 -3.248 -2.296 1.00 0.00 C ATOM 991 C GLN A 61 -1.628 -3.616 -1.050 1.00 0.00 C ATOM 992 O GLN A 61 -1.395 -4.693 -0.507 1.00 0.00 O ATOM 993 CB GLN A 61 -1.165 -4.165 -3.493 1.00 0.00 C ATOM 994 CG GLN A 61 -2.669 -4.275 -3.813 1.00 0.00 C ATOM 995 CD GLN A 61 -3.381 -5.310 -2.934 1.00 0.00 C ATOM 996 OE1 GLN A 61 -3.142 -6.506 -3.061 1.00 0.00 O ATOM 997 NE2 GLN A 61 -4.240 -4.866 -2.019 1.00 0.00 N ATOM 0 H GLN A 61 0.861 -4.386 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.079 -2.229 -2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.644 -3.793 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.775 -5.162 -3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.139 -3.301 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.796 -4.545 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.422 -3.866 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.716 -5.526 -1.404 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.553 -2.764 -0.602 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.353 -3.064 0.574 1.00 0.00 C ATOM 1008 C LEU A 62 -4.722 -2.377 0.513 1.00 0.00 C ATOM 1009 O LEU A 62 -4.880 -1.367 -0.173 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.551 -2.787 1.864 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.722 -1.489 1.894 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.602 -0.255 2.107 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.696 -1.556 3.032 1.00 0.00 C ATOM 0 H LEU A 62 -2.762 -1.866 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.579 -4.130 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.249 -2.765 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.876 -3.626 2.033 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.224 -1.399 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.978 0.639 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.325 -0.179 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.130 -0.344 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.112 -0.636 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.215 -1.675 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.031 -2.405 2.873 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.728 -2.960 1.179 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.072 -2.423 1.261 1.00 0.00 C ATOM 1027 C TYR A 63 -7.210 -1.647 2.568 1.00 0.00 C ATOM 1028 O TYR A 63 -7.386 -2.218 3.647 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.089 -3.556 1.135 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.433 -3.878 -0.304 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.536 -4.628 -1.085 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.582 -3.328 -0.902 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.811 -4.873 -2.441 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.880 -3.608 -2.246 1.00 0.00 C ATOM 1035 CZ TYR A 63 -8.994 -4.380 -3.016 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.266 -4.604 -4.332 1.00 0.00 O ATOM 0 H TYR A 63 -5.616 -3.839 1.684 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.268 -1.733 0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.693 -4.449 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.999 -3.282 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.632 -5.017 -0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.236 -2.689 -0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.114 -5.440 -3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.790 -3.230 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.126 -4.194 -4.563 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.094 -0.324 2.455 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.300 0.613 3.543 1.00 0.00 C ATOM 1048 C VAL A 64 -8.796 0.678 3.828 1.00 0.00 C ATOM 1049 O VAL A 64 -9.601 0.766 2.897 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.751 1.992 3.144 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.937 3.004 4.277 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.259 1.916 2.796 1.00 0.00 C ATOM 0 H VAL A 64 -6.847 0.132 1.576 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.773 0.292 4.442 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.311 2.316 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.540 3.972 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.998 3.103 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.405 2.659 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.899 2.907 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.701 1.557 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.115 1.230 1.961 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.159 0.645 5.109 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.521 0.811 5.586 1.00 0.00 C ATOM 1064 C TYR A 65 -10.584 2.214 6.198 1.00 0.00 C ATOM 1065 O TYR A 65 -9.909 2.485 7.190 1.00 0.00 O ATOM 1066 CB TYR A 65 -10.823 -0.308 6.600 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.229 -0.880 6.601 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.341 -0.134 6.160 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.411 -2.234 6.955 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.587 -0.761 5.979 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.666 -2.854 6.808 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.747 -2.117 6.298 1.00 0.00 C ATOM 1073 OH TYR A 65 -15.954 -2.718 6.092 1.00 0.00 O ATOM 0 H TYR A 65 -8.488 0.497 5.863 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.274 0.730 4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.125 -1.126 6.419 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.613 0.075 7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.236 0.922 5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.578 -2.801 7.343 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.423 -0.196 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.797 -3.890 7.086 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.901 -3.659 6.362 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.343 3.121 5.586 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.423 4.514 5.999 1.00 0.00 C ATOM 1085 C ALA A 66 -12.851 5.011 5.820 1.00 0.00 C ATOM 1086 O ALA A 66 -13.467 4.751 4.800 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.438 5.352 5.176 1.00 0.00 C ATOM 0 H ALA A 66 -11.926 2.902 4.778 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.154 4.608 7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.499 6.395 5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.425 4.984 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.689 5.273 4.118 1.00 0.00 H new ATOM 1093 N SER A 67 -13.397 5.678 6.837 1.00 0.00 N ATOM 1094 CA SER A 67 -14.779 6.139 6.882 1.00 0.00 C ATOM 1095 C SER A 67 -15.757 4.998 6.550 1.00 0.00 C ATOM 1096 O SER A 67 -16.782 5.233 5.893 1.00 0.00 O ATOM 1097 CB SER A 67 -14.984 7.357 5.954 1.00 0.00 C ATOM 1098 OG SER A 67 -14.088 8.447 6.314 1.00 0.00 O ATOM 0 H SER A 67 -12.871 5.918 7.677 1.00 0.00 H new ATOM 0 HA SER A 67 -14.995 6.463 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.807 7.064 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.018 7.696 6.017 1.00 0.00 H new ATOM 0 HG SER A 67 -14.405 8.872 7.138 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.428 3.777 6.996 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.184 2.569 6.708 1.00 0.00 C ATOM 1106 C ASP A 68 -16.356 2.323 5.208 1.00 0.00 C ATOM 1107 O ASP A 68 -17.338 1.705 4.803 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.528 2.588 7.461 1.00 0.00 C ATOM 1109 CG ASP A 68 -17.345 2.806 8.959 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -16.624 1.991 9.575 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -17.922 3.787 9.472 1.00 0.00 O ATOM 0 H ASP A 68 -14.609 3.608 7.580 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.606 1.720 7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -18.159 3.378 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.050 1.646 7.294 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.390 2.746 4.390 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.289 2.386 2.980 1.00 0.00 C ATOM 1118 C LYS A 69 -13.923 1.726 2.773 1.00 0.00 C ATOM 1119 O LYS A 69 -12.963 2.045 3.478 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.398 3.621 2.069 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.833 4.075 1.761 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.485 4.817 2.934 1.00 0.00 C ATOM 1123 CE LYS A 69 -18.769 5.540 2.516 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.794 4.599 2.030 1.00 0.00 N ATOM 0 H LYS A 69 -14.640 3.363 4.700 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.107 1.714 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.864 4.448 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.891 3.406 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.824 4.725 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.438 3.205 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.712 4.108 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.779 5.540 3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.163 6.100 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.540 6.264 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.660 5.123 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.440 4.106 1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.006 3.903 2.773 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.852 0.815 1.803 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.639 0.132 1.391 1.00 0.00 C ATOM 1140 C LEU A 70 -12.005 0.921 0.241 1.00 0.00 C ATOM 1141 O LEU A 70 -12.694 1.211 -0.740 1.00 0.00 O ATOM 1142 CB LEU A 70 -12.988 -1.293 0.928 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.347 -2.389 1.782 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -12.861 -2.350 3.226 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.680 -3.747 1.148 1.00 0.00 C ATOM 0 H LEU A 70 -14.670 0.526 1.267 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.937 0.068 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.071 -1.417 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.670 -1.418 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.269 -2.230 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.384 -3.142 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.623 -1.384 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.941 -2.496 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.233 -4.545 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.762 -3.879 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.283 -3.782 0.134 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.713 1.245 0.351 1.00 0.00 N ATOM 1158 CA PHE A 71 -9.929 1.855 -0.710 1.00 0.00 C ATOM 1159 C PHE A 71 -8.675 1.013 -0.923 1.00 0.00 C ATOM 1160 O PHE A 71 -7.993 0.666 0.041 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.557 3.290 -0.337 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.715 4.268 -0.394 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.537 4.473 0.730 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.890 5.066 -1.539 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.497 5.499 0.720 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.845 6.094 -1.547 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.651 6.312 -0.418 1.00 0.00 C ATOM 0 H PHE A 71 -10.177 1.084 1.204 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.510 1.891 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.141 3.295 0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.771 3.636 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.430 3.842 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.286 4.887 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.118 5.664 1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.960 6.717 -2.421 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.387 7.102 -0.423 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.369 0.687 -2.179 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.185 -0.067 -2.548 1.00 0.00 C ATOM 1179 C ARG A 72 -6.053 0.935 -2.734 1.00 0.00 C ATOM 1180 O ARG A 72 -6.081 1.727 -3.679 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.472 -0.864 -3.827 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.311 -1.801 -4.205 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.686 -1.460 -5.562 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.089 -0.116 -5.560 1.00 0.00 N ATOM 1185 CZ ARG A 72 -4.014 0.273 -6.259 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -3.482 -0.523 -7.192 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -3.496 1.483 -6.028 1.00 0.00 N ATOM 0 H ARG A 72 -8.950 0.946 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.901 -0.787 -1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.380 -1.451 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.660 -0.173 -4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.543 -1.749 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.673 -2.829 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.922 -2.198 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.448 -1.519 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.536 0.587 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.895 -1.437 -7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.664 -0.216 -7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.919 2.094 -5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.678 1.796 -6.551 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.048 0.908 -1.859 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.877 1.765 -1.972 1.00 0.00 C ATOM 1203 C ALA A 73 -2.676 0.924 -2.381 1.00 0.00 C ATOM 1204 O ALA A 73 -2.509 -0.193 -1.889 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.630 2.501 -0.653 1.00 0.00 C ATOM 0 H ALA A 73 -5.027 0.287 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.044 2.521 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.751 3.139 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.498 3.114 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.465 1.775 0.143 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.853 1.471 -3.276 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.544 0.946 -3.614 1.00 0.00 C ATOM 1213 C ASP A 74 0.488 1.970 -3.153 1.00 0.00 C ATOM 1214 O ASP A 74 0.407 3.142 -3.529 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.408 0.646 -5.109 1.00 0.00 C ATOM 1216 CG ASP A 74 0.935 -0.023 -5.390 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.932 0.721 -5.494 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.938 -1.270 -5.484 1.00 0.00 O ATOM 0 H ASP A 74 -2.092 2.315 -3.797 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.388 -0.008 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.221 -0.003 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.490 1.570 -5.682 1.00 0.00 H new ATOM 1223 N ILE A 75 1.414 1.518 -2.314 1.00 0.00 N ATOM 1224 CA ILE A 75 2.486 2.288 -1.718 1.00 0.00 C ATOM 1225 C ILE A 75 3.779 1.747 -2.327 1.00 0.00 C ATOM 1226 O ILE A 75 3.837 0.562 -2.657 1.00 0.00 O ATOM 1227 CB ILE A 75 2.483 2.099 -0.183 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.081 1.987 0.444 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.296 3.196 0.516 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.197 3.217 0.231 1.00 0.00 C ATOM 0 H ILE A 75 1.432 0.542 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 75 2.376 3.355 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 75 2.961 1.133 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.577 1.115 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.187 1.811 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.274 3.034 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.328 3.164 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.865 4.170 0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.772 3.055 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.676 4.090 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.056 3.383 -0.837 1.00 0.00 H new ATOM 1242 N SER A 76 4.811 2.583 -2.465 1.00 0.00 N ATOM 1243 CA SER A 76 6.139 2.146 -2.869 1.00 0.00 C ATOM 1244 C SER A 76 7.111 2.454 -1.731 1.00 0.00 C ATOM 1245 O SER A 76 6.876 3.393 -0.964 1.00 0.00 O ATOM 1246 CB SER A 76 6.534 2.796 -4.188 1.00 0.00 C ATOM 1247 OG SER A 76 7.821 2.369 -4.590 1.00 0.00 O ATOM 0 H SER A 76 4.743 3.587 -2.297 1.00 0.00 H new ATOM 0 HA SER A 76 6.159 1.071 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.804 2.542 -4.957 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.522 3.881 -4.083 1.00 0.00 H new ATOM 0 HG SER A 76 8.057 2.796 -5.440 1.00 0.00 H new ATOM 1253 N GLU A 77 8.162 1.637 -1.623 1.00 0.00 N ATOM 1254 CA GLU A 77 9.243 1.712 -0.651 1.00 0.00 C ATOM 1255 C GLU A 77 10.535 1.655 -1.468 1.00 0.00 C ATOM 1256 O GLU A 77 10.813 0.626 -2.082 1.00 0.00 O ATOM 1257 CB GLU A 77 9.111 0.501 0.288 1.00 0.00 C ATOM 1258 CG GLU A 77 9.963 0.500 1.570 1.00 0.00 C ATOM 1259 CD GLU A 77 11.401 0.960 1.359 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.220 0.114 0.938 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.643 2.159 1.613 1.00 0.00 O ATOM 0 H GLU A 77 8.283 0.851 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 77 9.226 2.615 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.064 0.414 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.359 -0.395 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.490 1.147 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.972 -0.507 1.987 1.00 0.00 H new ATOM 1268 N ASP A 78 11.315 2.737 -1.490 1.00 0.00 N ATOM 1269 CA ASP A 78 12.603 2.756 -2.184 1.00 0.00 C ATOM 1270 C ASP A 78 13.679 2.135 -1.290 1.00 0.00 C ATOM 1271 O ASP A 78 13.963 2.662 -0.219 1.00 0.00 O ATOM 1272 CB ASP A 78 12.984 4.183 -2.587 1.00 0.00 C ATOM 1273 CG ASP A 78 14.310 4.189 -3.341 1.00 0.00 C ATOM 1274 OD1 ASP A 78 15.363 4.198 -2.657 1.00 0.00 O ATOM 1275 OD2 ASP A 78 14.258 4.180 -4.593 1.00 0.00 O ATOM 0 H ASP A 78 11.075 3.616 -1.032 1.00 0.00 H new ATOM 0 HA ASP A 78 12.521 2.166 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.201 4.612 -3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.061 4.810 -1.699 1.00 0.00 H new ATOM 1280 N TYR A 79 14.291 1.043 -1.748 1.00 0.00 N ATOM 1281 CA TYR A 79 15.203 0.206 -0.982 1.00 0.00 C ATOM 1282 C TYR A 79 16.395 1.006 -0.464 1.00 0.00 C ATOM 1283 O TYR A 79 16.711 0.961 0.723 1.00 0.00 O ATOM 1284 CB TYR A 79 15.664 -0.968 -1.865 1.00 0.00 C ATOM 1285 CG TYR A 79 16.739 -1.869 -1.284 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.584 -2.427 -0.001 1.00 0.00 C ATOM 1287 CD2 TYR A 79 17.856 -2.218 -2.067 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.547 -3.319 0.501 1.00 0.00 C ATOM 1289 CE2 TYR A 79 18.819 -3.109 -1.563 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.663 -3.663 -0.283 1.00 0.00 C ATOM 1291 OH TYR A 79 19.591 -4.541 0.191 1.00 0.00 O ATOM 0 H TYR A 79 14.157 0.707 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 79 14.681 -0.181 -0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.794 -1.582 -2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.031 -0.563 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.724 -2.169 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 79 17.973 -1.800 -3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.430 -3.740 1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 79 19.680 -3.368 -2.161 1.00 0.00 H new ATOM 0 HH TYR A 79 20.295 -4.667 -0.479 1.00 0.00 H new ATOM 1301 N LYS A 80 17.076 1.721 -1.360 1.00 0.00 N ATOM 1302 CA LYS A 80 18.319 2.400 -1.024 1.00 0.00 C ATOM 1303 C LYS A 80 18.040 3.568 -0.075 1.00 0.00 C ATOM 1304 O LYS A 80 18.750 3.762 0.908 1.00 0.00 O ATOM 1305 CB LYS A 80 19.029 2.850 -2.309 1.00 0.00 C ATOM 1306 CG LYS A 80 20.460 3.327 -2.009 1.00 0.00 C ATOM 1307 CD LYS A 80 21.183 3.856 -3.255 1.00 0.00 C ATOM 1308 CE LYS A 80 21.392 2.769 -4.318 1.00 0.00 C ATOM 1309 NZ LYS A 80 22.260 3.250 -5.407 1.00 0.00 N ATOM 0 H LYS A 80 16.782 1.843 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 80 18.987 1.714 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.058 2.025 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.464 3.656 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 80 20.426 4.112 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 80 21.032 2.502 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 80 20.607 4.675 -3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 80 22.150 4.266 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.837 1.887 -3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.428 2.464 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 22.384 2.495 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.822 4.077 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 23.187 3.518 -5.019 1.00 0.00 H new ATOM 1323 N THR A 81 17.008 4.353 -0.382 1.00 0.00 N ATOM 1324 CA THR A 81 16.642 5.511 0.420 1.00 0.00 C ATOM 1325 C THR A 81 16.017 5.071 1.748 1.00 0.00 C ATOM 1326 O THR A 81 16.105 5.790 2.738 1.00 0.00 O ATOM 1327 CB THR A 81 15.683 6.410 -0.378 1.00 0.00 C ATOM 1328 OG1 THR A 81 16.179 6.608 -1.689 1.00 0.00 O ATOM 1329 CG2 THR A 81 15.510 7.787 0.268 1.00 0.00 C ATOM 0 H THR A 81 16.406 4.202 -1.192 1.00 0.00 H new ATOM 0 HA THR A 81 17.539 6.084 0.654 1.00 0.00 H new ATOM 0 HB THR A 81 14.719 5.901 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.984 5.818 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.824 8.386 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.106 7.669 1.273 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.477 8.288 0.322 1.00 0.00 H new ATOM 1337 N ARG A 82 15.351 3.910 1.757 1.00 0.00 N ATOM 1338 CA ARG A 82 14.503 3.459 2.846 1.00 0.00 C ATOM 1339 C ARG A 82 13.438 4.519 3.138 1.00 0.00 C ATOM 1340 O ARG A 82 13.228 4.916 4.283 1.00 0.00 O ATOM 1341 CB ARG A 82 15.332 3.059 4.072 1.00 0.00 C ATOM 1342 CG ARG A 82 16.353 1.969 3.715 1.00 0.00 C ATOM 1343 CD ARG A 82 16.989 1.365 4.971 1.00 0.00 C ATOM 1344 NE ARG A 82 17.739 2.372 5.732 1.00 0.00 N ATOM 1345 CZ ARG A 82 18.319 2.147 6.919 1.00 0.00 C ATOM 1346 NH1 ARG A 82 18.242 0.936 7.488 1.00 0.00 N ATOM 1347 NH2 ARG A 82 18.977 3.142 7.528 1.00 0.00 N ATOM 0 H ARG A 82 15.394 3.247 0.983 1.00 0.00 H new ATOM 0 HA ARG A 82 13.978 2.550 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.851 3.933 4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.671 2.699 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.863 1.183 3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.131 2.391 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.212 0.935 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.656 0.551 4.687 1.00 0.00 H new ATOM 0 HE ARG A 82 17.824 3.306 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.741 0.182 7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.685 0.768 8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.033 4.061 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.422 2.981 8.432 1.00 0.00 H new ATOM 1361 N GLY A 83 12.772 4.978 2.074 1.00 0.00 N ATOM 1362 CA GLY A 83 11.751 6.015 2.116 1.00 0.00 C ATOM 1363 C GLY A 83 10.558 5.553 1.290 1.00 0.00 C ATOM 1364 O GLY A 83 10.747 4.920 0.249 1.00 0.00 O ATOM 0 H GLY A 83 12.938 4.623 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.448 6.206 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.146 6.951 1.721 1.00 0.00 H new ATOM 1368 N ARG A 84 9.342 5.833 1.771 1.00 0.00 N ATOM 1369 CA ARG A 84 8.110 5.357 1.167 1.00 0.00 C ATOM 1370 C ARG A 84 7.353 6.492 0.495 1.00 0.00 C ATOM 1371 O ARG A 84 7.697 7.661 0.656 1.00 0.00 O ATOM 1372 CB ARG A 84 7.193 4.730 2.218 1.00 0.00 C ATOM 1373 CG ARG A 84 7.806 3.564 2.994 1.00 0.00 C ATOM 1374 CD ARG A 84 8.854 3.952 4.046 1.00 0.00 C ATOM 1375 NE ARG A 84 8.963 2.928 5.095 1.00 0.00 N ATOM 1376 CZ ARG A 84 8.129 2.803 6.139 1.00 0.00 C ATOM 1377 NH1 ARG A 84 7.072 3.613 6.263 1.00 0.00 N ATOM 1378 NH2 ARG A 84 8.362 1.863 7.060 1.00 0.00 N ATOM 0 H ARG A 84 9.193 6.405 2.602 1.00 0.00 H new ATOM 0 HA ARG A 84 8.390 4.611 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.895 5.503 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.285 4.382 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.003 3.018 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.266 2.878 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.823 4.087 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.585 4.908 4.495 1.00 0.00 H new ATOM 0 HE ARG A 84 9.732 2.261 5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.895 4.332 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.443 3.512 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.169 1.247 6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.733 1.762 7.856 1.00 0.00 H new ATOM 1392 N LYS A 85 6.286 6.122 -0.214 1.00 0.00 N ATOM 1393 CA LYS A 85 5.403 7.047 -0.906 1.00 0.00 C ATOM 1394 C LYS A 85 4.128 6.350 -1.360 1.00 0.00 C ATOM 1395 O LYS A 85 4.178 5.199 -1.782 1.00 0.00 O ATOM 1396 CB LYS A 85 6.137 7.671 -2.098 1.00 0.00 C ATOM 1397 CG LYS A 85 6.564 6.613 -3.125 1.00 0.00 C ATOM 1398 CD LYS A 85 7.900 6.972 -3.778 1.00 0.00 C ATOM 1399 CE LYS A 85 7.865 8.296 -4.555 1.00 0.00 C ATOM 1400 NZ LYS A 85 6.892 8.268 -5.660 1.00 0.00 N ATOM 0 H LYS A 85 6.010 5.146 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 85 5.116 7.839 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.490 8.404 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.017 8.207 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.646 5.642 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.796 6.519 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.668 7.033 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.192 6.170 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.614 9.109 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.857 8.508 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.963 9.149 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.094 7.458 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.931 8.177 -5.274 1.00 0.00 H new ATOM 1414 N LEU A 86 2.986 7.037 -1.291 1.00 0.00 N ATOM 1415 CA LEU A 86 1.766 6.538 -1.901 1.00 0.00 C ATOM 1416 C LEU A 86 1.948 6.586 -3.419 1.00 0.00 C ATOM 1417 O LEU A 86 2.227 7.653 -3.963 1.00 0.00 O ATOM 1418 CB LEU A 86 0.578 7.384 -1.433 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.748 6.830 -1.982 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.748 6.657 -0.836 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.313 7.762 -3.059 1.00 0.00 C ATOM 0 H LEU A 86 2.887 7.936 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 86 1.563 5.509 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.546 7.400 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.709 8.415 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.566 5.858 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.686 6.264 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.342 5.962 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.928 7.622 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.251 7.355 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.492 8.748 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.599 7.847 -3.878 1.00 0.00 H new ATOM 1433 N LEU A 87 1.822 5.444 -4.099 1.00 0.00 N ATOM 1434 CA LEU A 87 1.943 5.376 -5.547 1.00 0.00 C ATOM 1435 C LEU A 87 0.602 5.717 -6.184 1.00 0.00 C ATOM 1436 O LEU A 87 0.551 6.463 -7.160 1.00 0.00 O ATOM 1437 CB LEU A 87 2.383 3.970 -5.978 1.00 0.00 C ATOM 1438 CG LEU A 87 3.036 3.970 -7.370 1.00 0.00 C ATOM 1439 CD1 LEU A 87 4.468 4.516 -7.346 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.055 2.547 -7.941 1.00 0.00 C ATOM 0 H LEU A 87 1.633 4.544 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 87 2.695 6.093 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.087 3.571 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.519 3.306 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 87 2.436 4.627 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.883 4.494 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.460 5.542 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.081 3.900 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.519 2.557 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.625 1.896 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.034 2.175 -8.024 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.473 5.130 -5.644 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.823 5.310 -6.164 1.00 0.00 C ATOM 1454 C ARG A 88 -2.855 4.889 -5.115 1.00 0.00 C ATOM 1455 O ARG A 88 -2.633 3.928 -4.380 1.00 0.00 O ATOM 1456 CB ARG A 88 -1.983 4.501 -7.465 1.00 0.00 C ATOM 1457 CG ARG A 88 -2.021 5.395 -8.714 1.00 0.00 C ATOM 1458 CD ARG A 88 -1.303 4.733 -9.896 1.00 0.00 C ATOM 1459 NE ARG A 88 0.157 4.908 -9.805 1.00 0.00 N ATOM 1460 CZ ARG A 88 1.024 4.435 -10.713 1.00 0.00 C ATOM 1461 NH1 ARG A 88 0.608 3.604 -11.677 1.00 0.00 N ATOM 1462 NH2 ARG A 88 2.307 4.807 -10.662 1.00 0.00 N ATOM 0 H ARG A 88 -0.425 4.516 -4.831 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.992 6.363 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.158 3.794 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.901 3.915 -7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.057 5.602 -8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.552 6.354 -8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.543 3.670 -9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.665 5.162 -10.830 1.00 0.00 H new ATOM 0 HE ARG A 88 0.530 5.419 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.373 3.327 -11.724 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.272 3.248 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.624 5.448 -9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.969 4.450 -11.350 1.00 0.00 H new ATOM 1476 N PHE A 89 -3.980 5.606 -5.064 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.092 5.384 -4.150 1.00 0.00 C ATOM 1478 C PHE A 89 -6.352 5.246 -4.998 1.00 0.00 C ATOM 1479 O PHE A 89 -6.755 6.221 -5.631 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.210 6.588 -3.206 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.324 6.490 -2.184 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.093 5.858 -0.948 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.553 7.130 -2.424 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.085 5.870 0.047 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.529 7.177 -1.416 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.304 6.528 -0.190 1.00 0.00 C ATOM 0 H PHE A 89 -4.144 6.394 -5.691 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.944 4.487 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.264 6.713 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.363 7.486 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.151 5.363 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.746 7.585 -3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.911 5.375 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.452 7.712 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.070 6.535 0.572 1.00 0.00 H new ATOM 1496 N ASN A 90 -6.949 4.053 -5.049 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.157 3.793 -5.814 1.00 0.00 C ATOM 1498 C ASN A 90 -9.274 3.397 -4.858 1.00 0.00 C ATOM 1499 O ASN A 90 -9.029 2.807 -3.807 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.922 2.648 -6.799 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.912 2.997 -7.885 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.890 2.165 -8.069 1.00 0.00 O flip ATOM 1503 ND2 ASN A 90 -7.052 4.004 -8.569 1.00 0.00 N flip ATOM 0 H ASN A 90 -6.598 3.234 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.429 4.692 -6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.572 1.772 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.869 2.376 -7.265 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.845 4.625 -8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.376 4.222 -9.301 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.510 3.694 -5.251 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.714 3.356 -4.513 1.00 0.00 C ATOM 1512 C GLY A 91 -12.666 4.551 -4.466 1.00 0.00 C ATOM 1513 O GLY A 91 -12.416 5.548 -5.149 1.00 0.00 O ATOM 0 H GLY A 91 -10.702 4.192 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.210 2.507 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.453 3.051 -3.500 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.743 4.477 -3.666 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.066 3.354 -2.799 1.00 0.00 C ATOM 1519 C PRO A 92 -14.446 2.124 -3.626 1.00 0.00 C ATOM 1520 O PRO A 92 -14.924 2.263 -4.751 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.235 3.831 -1.938 1.00 0.00 C ATOM 1522 CG PRO A 92 -15.928 4.867 -2.825 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.762 5.509 -3.577 1.00 0.00 C ATOM 0 HA PRO A 92 -13.217 3.054 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.905 3.011 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.891 4.269 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.641 4.403 -3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.480 5.599 -2.235 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.070 5.843 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.388 6.385 -3.047 1.00 0.00 H new ATOM 1531 N VAL A 93 -14.217 0.925 -3.082 1.00 0.00 N ATOM 1532 CA VAL A 93 -14.552 -0.339 -3.729 1.00 0.00 C ATOM 1533 C VAL A 93 -15.143 -1.289 -2.683 1.00 0.00 C ATOM 1534 O VAL A 93 -14.705 -1.264 -1.534 1.00 0.00 O ATOM 1535 CB VAL A 93 -13.311 -0.967 -4.399 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -13.142 -0.456 -5.834 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -12.015 -0.728 -3.608 1.00 0.00 C ATOM 0 H VAL A 93 -13.787 0.808 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.286 -0.157 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.491 -2.042 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.260 -0.914 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.024 -0.717 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.021 0.627 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.179 -1.194 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.836 0.343 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -12.110 -1.164 -2.614 1.00 0.00 H new ATOM 1547 N PRO A 94 -16.136 -2.119 -3.040 1.00 0.00 N ATOM 1548 CA PRO A 94 -16.647 -3.147 -2.149 1.00 0.00 C ATOM 1549 C PRO A 94 -15.655 -4.320 -2.105 1.00 0.00 C ATOM 1550 O PRO A 94 -14.869 -4.493 -3.037 1.00 0.00 O ATOM 1551 CB PRO A 94 -17.976 -3.576 -2.775 1.00 0.00 C ATOM 1552 CG PRO A 94 -17.719 -3.402 -4.273 1.00 0.00 C ATOM 1553 CD PRO A 94 -16.806 -2.176 -4.331 1.00 0.00 C ATOM 0 HA PRO A 94 -16.780 -2.800 -1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -18.226 -4.607 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.803 -2.955 -2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -17.240 -4.281 -4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -18.645 -3.241 -4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.084 -2.264 -5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -17.381 -1.268 -4.513 1.00 0.00 H new ATOM 1561 N PRO A 95 -15.688 -5.149 -1.053 1.00 0.00 N ATOM 1562 CA PRO A 95 -14.951 -6.400 -1.038 1.00 0.00 C ATOM 1563 C PRO A 95 -15.616 -7.382 -2.015 1.00 0.00 C ATOM 1564 O PRO A 95 -16.817 -7.272 -2.270 1.00 0.00 O ATOM 1565 CB PRO A 95 -15.045 -6.896 0.407 1.00 0.00 C ATOM 1566 CG PRO A 95 -16.401 -6.356 0.868 1.00 0.00 C ATOM 1567 CD PRO A 95 -16.523 -5.020 0.132 1.00 0.00 C ATOM 0 HA PRO A 95 -13.911 -6.295 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.003 -7.984 0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.229 -6.513 1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.213 -7.034 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.433 -6.223 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -17.559 -4.815 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.188 -4.194 0.760 1.00 0.00 H new ATOM 1575 N PRO A 96 -14.872 -8.357 -2.561 1.00 0.00 N ATOM 1576 CA PRO A 96 -15.443 -9.382 -3.422 1.00 0.00 C ATOM 1577 C PRO A 96 -16.370 -10.305 -2.622 1.00 0.00 C ATOM 1578 O PRO A 96 -17.340 -10.801 -3.235 1.00 0.00 O ATOM 1579 CB PRO A 96 -14.241 -10.138 -3.995 1.00 0.00 C ATOM 1580 CG PRO A 96 -13.176 -9.982 -2.908 1.00 0.00 C ATOM 1581 CD PRO A 96 -13.454 -8.584 -2.353 1.00 0.00 C ATOM 1582 OXT PRO A 96 -16.082 -10.520 -1.422 1.00 0.00 O ATOM 0 HA PRO A 96 -16.059 -8.961 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.476 -11.186 -4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -13.913 -9.712 -4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.270 -10.748 -2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.168 -10.061 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.198 -8.524 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.857 -7.832 -2.868 1.00 0.00 H new TER 1590 PRO A 96