USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 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 61 ASN : amide:sc= -1.46 K(o=-1.5,f=-8!) USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 2 GLN : amide:sc= -0.147 K(o=-1.2,f=-8.3!) USER MOD Set 2.2: A 10 LYS NZ :NH3+ -179:sc= -1.06 (180deg=-1.06) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -4.1 K(o=-4.1,f=-6.8!) USER MOD Single : A 13 THR OG1 : rot 31:sc= 0.606 USER MOD Single : A 15 THR OG1 : rot -23:sc= 0.347! USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 24 MET CE :methyl 171:sc= -5.89! (180deg=-6.48!) USER MOD Single : A 26 THR OG1 : rot 100:sc= -0.171 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0.00215 (180deg=0.00117) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -3.88! C(o=-3.9!,f=-6.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -56:sc= 0.0127 USER MOD Single : A 60 SER OG : rot 91:sc= -1.33 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0241 K(o=-0.024,f=-0.72) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0176) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.228 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.489 F(o=-1.5,f=-0.49) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.694 USER MOD Single : A 94 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.37) USER MOD Single : A 99 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -6.035 11.287 2.478 1.00 0.00 N ATOM 21 CA GLN A 2 -5.447 10.525 1.333 1.00 0.00 C ATOM 22 C GLN A 2 -6.561 10.148 0.353 1.00 0.00 C ATOM 23 O GLN A 2 -7.732 10.194 0.692 1.00 0.00 O ATOM 24 CB GLN A 2 -4.775 9.252 1.857 1.00 0.00 C ATOM 25 CG GLN A 2 -3.611 9.627 2.775 1.00 0.00 C ATOM 26 CD GLN A 2 -2.584 8.493 2.789 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.394 8.733 2.736 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.996 7.255 2.856 1.00 0.00 N ATOM 0 HA GLN A 2 -4.706 11.142 0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.498 8.644 2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.414 8.649 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.145 10.550 2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.976 9.813 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.995 7.052 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.319 6.492 2.864 1.00 0.00 H new ATOM 37 N ASP A 3 -6.195 9.779 -0.856 1.00 0.00 N ATOM 38 CA ASP A 3 -7.212 9.392 -1.885 1.00 0.00 C ATOM 39 C ASP A 3 -6.835 8.042 -2.498 1.00 0.00 C ATOM 40 O ASP A 3 -5.910 7.386 -2.044 1.00 0.00 O ATOM 41 CB ASP A 3 -7.257 10.454 -2.986 1.00 0.00 C ATOM 42 CG ASP A 3 -7.678 11.795 -2.386 1.00 0.00 C ATOM 43 OD1 ASP A 3 -6.819 12.481 -1.856 1.00 0.00 O ATOM 44 OD2 ASP A 3 -8.853 12.113 -2.462 1.00 0.00 O ATOM 0 H ASP A 3 -5.227 9.730 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.191 9.316 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.278 10.546 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.959 10.156 -3.765 1.00 0.00 H new ATOM 49 N TRP A 4 -7.548 7.631 -3.526 1.00 0.00 N ATOM 50 CA TRP A 4 -7.253 6.327 -4.192 1.00 0.00 C ATOM 51 C TRP A 4 -5.910 6.428 -4.924 1.00 0.00 C ATOM 52 O TRP A 4 -5.176 5.457 -5.023 1.00 0.00 O ATOM 53 CB TRP A 4 -8.372 5.996 -5.192 1.00 0.00 C ATOM 54 CG TRP A 4 -8.114 4.658 -5.812 1.00 0.00 C ATOM 55 CD1 TRP A 4 -8.158 4.395 -7.139 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.761 3.405 -5.158 1.00 0.00 C ATOM 57 NE1 TRP A 4 -7.854 3.062 -7.340 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.601 2.408 -6.149 1.00 0.00 C ATOM 59 CE3 TRP A 4 -7.565 3.039 -3.815 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.257 1.096 -5.816 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -7.221 1.725 -3.481 1.00 0.00 C ATOM 62 CH2 TRP A 4 -7.065 0.755 -4.477 1.00 0.00 C ATOM 0 H TRP A 4 -8.326 8.151 -3.931 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.199 5.535 -3.445 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.337 5.993 -4.685 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.421 6.763 -5.965 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.392 5.110 -7.914 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.820 2.615 -8.256 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.681 3.778 -3.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -7.141 0.351 -6.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.075 1.457 -2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.796 -0.256 -4.210 1.00 0.00 H new ATOM 73 N ALA A 5 -5.596 7.600 -5.434 1.00 0.00 N ATOM 74 CA ALA A 5 -4.308 7.806 -6.171 1.00 0.00 C ATOM 75 C ALA A 5 -3.129 7.626 -5.209 1.00 0.00 C ATOM 76 O ALA A 5 -2.080 7.128 -5.593 1.00 0.00 O ATOM 77 CB ALA A 5 -4.288 9.221 -6.762 1.00 0.00 C ATOM 0 H ALA A 5 -6.186 8.430 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.223 7.075 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.353 9.377 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.126 9.340 -7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.371 9.952 -5.958 1.00 0.00 H new ATOM 83 N THR A 6 -3.304 8.019 -3.961 1.00 0.00 N ATOM 84 CA THR A 6 -2.211 7.873 -2.951 1.00 0.00 C ATOM 85 C THR A 6 -2.046 6.393 -2.637 1.00 0.00 C ATOM 86 O THR A 6 -0.948 5.862 -2.668 1.00 0.00 O ATOM 87 CB THR A 6 -2.582 8.633 -1.675 1.00 0.00 C ATOM 88 OG1 THR A 6 -2.948 9.964 -2.011 1.00 0.00 O ATOM 89 CG2 THR A 6 -1.385 8.653 -0.724 1.00 0.00 C ATOM 0 H THR A 6 -4.164 8.436 -3.604 1.00 0.00 H new ATOM 0 HA THR A 6 -1.279 8.281 -3.344 1.00 0.00 H new ATOM 0 HB THR A 6 -3.421 8.138 -1.186 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.188 10.453 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.651 9.194 0.184 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.106 7.631 -0.468 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.544 9.148 -1.209 1.00 0.00 H new ATOM 97 N PHE A 7 -3.145 5.727 -2.364 1.00 0.00 N ATOM 98 CA PHE A 7 -3.112 4.263 -2.071 1.00 0.00 C ATOM 99 C PHE A 7 -2.566 3.531 -3.304 1.00 0.00 C ATOM 100 O PHE A 7 -1.985 2.466 -3.190 1.00 0.00 O ATOM 101 CB PHE A 7 -4.537 3.783 -1.770 1.00 0.00 C ATOM 102 CG PHE A 7 -4.535 2.307 -1.444 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.466 1.368 -2.478 1.00 0.00 C ATOM 104 CD2 PHE A 7 -4.620 1.877 -0.114 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.483 0.000 -2.189 1.00 0.00 C ATOM 106 CE2 PHE A 7 -4.633 0.506 0.178 1.00 0.00 C ATOM 107 CZ PHE A 7 -4.567 -0.432 -0.860 1.00 0.00 C ATOM 0 H PHE A 7 -4.075 6.145 -2.332 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.474 4.059 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.949 4.347 -0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.181 3.972 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.399 1.701 -3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.675 2.601 0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.431 -0.722 -2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.694 0.173 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.581 -1.488 -0.635 1.00 0.00 H new ATOM 117 N LYS A 8 -2.751 4.107 -4.479 1.00 0.00 N ATOM 118 CA LYS A 8 -2.246 3.475 -5.735 1.00 0.00 C ATOM 119 C LYS A 8 -0.723 3.386 -5.670 1.00 0.00 C ATOM 120 O LYS A 8 -0.151 2.334 -5.878 1.00 0.00 O ATOM 121 CB LYS A 8 -2.658 4.327 -6.937 1.00 0.00 C ATOM 122 CG LYS A 8 -2.543 3.495 -8.218 1.00 0.00 C ATOM 123 CD LYS A 8 -3.643 3.910 -9.198 1.00 0.00 C ATOM 124 CE LYS A 8 -3.849 2.802 -10.235 1.00 0.00 C ATOM 125 NZ LYS A 8 -2.951 3.037 -11.401 1.00 0.00 N ATOM 0 H LYS A 8 -3.235 4.995 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.669 2.476 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.681 4.681 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.022 5.209 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.563 3.641 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.631 2.434 -7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.572 4.096 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.370 4.841 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.638 1.830 -9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.889 2.784 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.092 2.284 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.173 3.958 -11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.961 3.033 -11.083 1.00 0.00 H new ATOM 139 N LYS A 9 -0.069 4.488 -5.378 1.00 0.00 N ATOM 140 CA LYS A 9 1.427 4.492 -5.293 1.00 0.00 C ATOM 141 C LYS A 9 1.885 3.925 -3.943 1.00 0.00 C ATOM 142 O LYS A 9 3.024 3.513 -3.798 1.00 0.00 O ATOM 143 CB LYS A 9 1.934 5.930 -5.431 1.00 0.00 C ATOM 144 CG LYS A 9 2.012 6.313 -6.912 1.00 0.00 C ATOM 145 CD LYS A 9 1.519 7.750 -7.098 1.00 0.00 C ATOM 146 CE LYS A 9 1.095 7.961 -8.552 1.00 0.00 C ATOM 147 NZ LYS A 9 2.300 8.247 -9.381 1.00 0.00 N ATOM 0 H LYS A 9 -0.511 5.389 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 9 1.830 3.872 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.267 6.613 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.917 6.025 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.038 6.221 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.406 5.630 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.679 7.947 -6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.308 8.453 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.585 7.074 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.388 8.788 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.014 8.391 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.769 9.105 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.959 7.444 -9.324 1.00 0.00 H new ATOM 161 N LYS A 10 1.012 3.931 -2.956 1.00 0.00 N ATOM 162 CA LYS A 10 1.374 3.426 -1.594 1.00 0.00 C ATOM 163 C LYS A 10 1.253 1.900 -1.495 1.00 0.00 C ATOM 164 O LYS A 10 2.170 1.245 -1.021 1.00 0.00 O ATOM 165 CB LYS A 10 0.443 4.075 -0.565 1.00 0.00 C ATOM 166 CG LYS A 10 1.123 5.302 0.052 1.00 0.00 C ATOM 167 CD LYS A 10 0.444 5.649 1.380 1.00 0.00 C ATOM 168 CE LYS A 10 1.024 6.952 1.931 1.00 0.00 C ATOM 169 NZ LYS A 10 0.889 6.966 3.415 1.00 0.00 N ATOM 0 H LYS A 10 0.054 4.269 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 10 2.414 3.688 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.492 4.368 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.192 3.357 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.182 5.101 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.061 6.148 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.631 5.752 1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.593 4.842 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.073 7.044 1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.502 7.806 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.268 7.859 3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.115 6.880 3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.420 6.168 3.819 1.00 0.00 H new ATOM 183 N HIS A 11 0.126 1.334 -1.889 1.00 0.00 N ATOM 184 CA HIS A 11 -0.059 -0.151 -1.758 1.00 0.00 C ATOM 185 C HIS A 11 -0.261 -0.845 -3.113 1.00 0.00 C ATOM 186 O HIS A 11 -0.171 -2.058 -3.180 1.00 0.00 O ATOM 187 CB HIS A 11 -1.274 -0.435 -0.874 1.00 0.00 C ATOM 188 CG HIS A 11 -1.074 0.185 0.482 1.00 0.00 C ATOM 189 ND1 HIS A 11 -1.379 1.513 0.738 1.00 0.00 N ATOM 190 CD2 HIS A 11 -0.613 -0.329 1.668 1.00 0.00 C ATOM 191 CE1 HIS A 11 -1.102 1.750 2.033 1.00 0.00 C ATOM 192 NE2 HIS A 11 -0.631 0.661 2.647 1.00 0.00 N ATOM 0 H HIS A 11 -0.666 1.835 -2.292 1.00 0.00 H new ATOM 0 HA HIS A 11 0.853 -0.550 -1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.175 -0.033 -1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.419 -1.511 -0.774 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.286 -1.347 1.819 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.243 2.705 2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.346 0.574 3.622 1.00 0.00 H new ATOM 200 N LEU A 12 -0.531 -0.117 -4.180 1.00 0.00 N ATOM 201 CA LEU A 12 -0.729 -0.791 -5.509 1.00 0.00 C ATOM 202 C LEU A 12 0.560 -0.690 -6.325 1.00 0.00 C ATOM 203 O LEU A 12 1.194 0.350 -6.369 1.00 0.00 O ATOM 204 CB LEU A 12 -1.886 -0.149 -6.286 1.00 0.00 C ATOM 205 CG LEU A 12 -3.179 -0.239 -5.471 1.00 0.00 C ATOM 206 CD1 LEU A 12 -4.272 0.608 -6.141 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.634 -1.701 -5.406 1.00 0.00 C ATOM 0 H LEU A 12 -0.621 0.899 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.977 -1.838 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.655 0.894 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.015 -0.652 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.001 0.135 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.191 0.542 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.948 1.647 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.454 0.236 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.555 -1.770 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.812 -2.072 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.860 -2.302 -4.930 1.00 0.00 H new ATOM 219 N THR A 13 0.950 -1.773 -6.960 1.00 0.00 N ATOM 220 CA THR A 13 2.205 -1.774 -7.778 1.00 0.00 C ATOM 221 C THR A 13 1.997 -2.607 -9.044 1.00 0.00 C ATOM 222 O THR A 13 1.212 -3.541 -9.055 1.00 0.00 O ATOM 223 CB THR A 13 3.361 -2.366 -6.962 1.00 0.00 C ATOM 224 OG1 THR A 13 2.882 -3.435 -6.155 1.00 0.00 O ATOM 225 CG2 THR A 13 3.963 -1.280 -6.069 1.00 0.00 C ATOM 0 H THR A 13 0.448 -2.661 -6.945 1.00 0.00 H new ATOM 0 HA THR A 13 2.448 -0.748 -8.054 1.00 0.00 H new ATOM 0 HB THR A 13 4.125 -2.744 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.136 -3.879 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.785 -1.700 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.336 -0.465 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.198 -0.900 -5.392 1.00 0.00 H new ATOM 233 N ASP A 14 2.708 -2.270 -10.098 1.00 0.00 N ATOM 234 CA ASP A 14 2.589 -3.021 -11.386 1.00 0.00 C ATOM 235 C ASP A 14 3.858 -3.859 -11.604 1.00 0.00 C ATOM 236 O ASP A 14 4.195 -4.208 -12.725 1.00 0.00 O ATOM 237 CB ASP A 14 2.419 -2.022 -12.536 1.00 0.00 C ATOM 238 CG ASP A 14 1.177 -1.166 -12.288 1.00 0.00 C ATOM 239 OD1 ASP A 14 0.121 -1.738 -12.068 1.00 0.00 O ATOM 240 OD2 ASP A 14 1.300 0.047 -12.323 1.00 0.00 O ATOM 0 H ASP A 14 3.373 -1.497 -10.117 1.00 0.00 H new ATOM 0 HA ASP A 14 1.724 -3.683 -11.352 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.302 -1.387 -12.614 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.324 -2.554 -13.483 1.00 0.00 H new ATOM 245 N THR A 15 4.556 -4.181 -10.531 1.00 0.00 N ATOM 246 CA THR A 15 5.807 -4.993 -10.635 1.00 0.00 C ATOM 247 C THR A 15 6.141 -5.591 -9.265 1.00 0.00 C ATOM 248 O THR A 15 5.883 -4.980 -8.240 1.00 0.00 O ATOM 249 CB THR A 15 6.957 -4.089 -11.087 1.00 0.00 C ATOM 250 OG1 THR A 15 6.559 -3.365 -12.244 1.00 0.00 O ATOM 251 CG2 THR A 15 8.186 -4.937 -11.410 1.00 0.00 C ATOM 0 H THR A 15 4.304 -3.910 -9.581 1.00 0.00 H new ATOM 0 HA THR A 15 5.664 -5.796 -11.358 1.00 0.00 H new ATOM 0 HB THR A 15 7.205 -3.392 -10.287 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.831 -3.842 -12.694 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.001 -4.289 -11.731 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.490 -5.490 -10.521 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.944 -5.639 -12.208 1.00 0.00 H new ATOM 259 N TRP A 16 6.724 -6.775 -9.250 1.00 0.00 N ATOM 260 CA TRP A 16 7.100 -7.434 -7.960 1.00 0.00 C ATOM 261 C TRP A 16 8.250 -6.649 -7.335 1.00 0.00 C ATOM 262 O TRP A 16 8.236 -6.346 -6.153 1.00 0.00 O ATOM 263 CB TRP A 16 7.547 -8.877 -8.238 1.00 0.00 C ATOM 264 CG TRP A 16 7.677 -9.659 -6.957 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.013 -9.411 -5.796 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.511 -10.826 -6.702 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.397 -10.346 -4.851 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.317 -11.241 -5.362 1.00 0.00 C ATOM 269 CE3 TRP A 16 9.413 -11.557 -7.495 1.00 0.00 C ATOM 270 CZ2 TRP A 16 8.990 -12.341 -4.833 1.00 0.00 C ATOM 271 CZ3 TRP A 16 10.093 -12.666 -6.965 1.00 0.00 C ATOM 272 CH2 TRP A 16 9.882 -13.055 -5.636 1.00 0.00 C ATOM 0 H TRP A 16 6.955 -7.312 -10.086 1.00 0.00 H new ATOM 0 HA TRP A 16 6.248 -7.450 -7.280 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.826 -9.365 -8.894 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.502 -8.871 -8.763 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.302 -8.614 -5.638 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.044 -10.371 -3.894 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.584 -11.263 -8.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 8.823 -12.639 -3.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 10.781 -13.221 -7.585 1.00 0.00 H new ATOM 0 HH2 TRP A 16 10.409 -13.907 -5.232 1.00 0.00 H new ATOM 283 N ASP A 17 9.232 -6.309 -8.141 1.00 0.00 N ATOM 284 CA ASP A 17 10.403 -5.520 -7.648 1.00 0.00 C ATOM 285 C ASP A 17 10.095 -4.035 -7.839 1.00 0.00 C ATOM 286 O ASP A 17 9.807 -3.598 -8.943 1.00 0.00 O ATOM 287 CB ASP A 17 11.653 -5.900 -8.453 1.00 0.00 C ATOM 288 CG ASP A 17 12.568 -6.781 -7.600 1.00 0.00 C ATOM 289 OD1 ASP A 17 12.130 -7.848 -7.205 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.693 -6.374 -7.359 1.00 0.00 O ATOM 0 H ASP A 17 9.269 -6.549 -9.132 1.00 0.00 H new ATOM 0 HA ASP A 17 10.586 -5.731 -6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.365 -6.430 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.185 -5.001 -8.764 1.00 0.00 H new ATOM 295 N VAL A 18 10.136 -3.266 -6.771 1.00 0.00 N ATOM 296 CA VAL A 18 9.828 -1.808 -6.863 1.00 0.00 C ATOM 297 C VAL A 18 11.076 -0.984 -6.551 1.00 0.00 C ATOM 298 O VAL A 18 12.012 -1.464 -5.933 1.00 0.00 O ATOM 299 CB VAL A 18 8.729 -1.474 -5.852 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.338 0.003 -5.969 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.507 -2.345 -6.134 1.00 0.00 C ATOM 0 H VAL A 18 10.372 -3.594 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 18 9.495 -1.569 -7.873 1.00 0.00 H new ATOM 0 HB VAL A 18 9.098 -1.666 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.555 0.231 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.209 0.627 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.971 0.204 -6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.720 -2.111 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.147 -2.150 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.781 -3.396 -6.043 1.00 0.00 H new ATOM 311 N ASP A 19 11.070 0.263 -6.969 1.00 0.00 N ATOM 312 CA ASP A 19 12.221 1.179 -6.708 1.00 0.00 C ATOM 313 C ASP A 19 11.883 2.025 -5.476 1.00 0.00 C ATOM 314 O ASP A 19 11.196 3.028 -5.570 1.00 0.00 O ATOM 315 CB ASP A 19 12.447 2.082 -7.924 1.00 0.00 C ATOM 316 CG ASP A 19 12.805 1.221 -9.137 1.00 0.00 C ATOM 317 OD1 ASP A 19 13.769 0.478 -9.048 1.00 0.00 O ATOM 318 OD2 ASP A 19 12.109 1.317 -10.135 1.00 0.00 O ATOM 0 H ASP A 19 10.301 0.687 -7.488 1.00 0.00 H new ATOM 0 HA ASP A 19 13.132 0.608 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.549 2.665 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.248 2.792 -7.719 1.00 0.00 H new ATOM 323 N CYS A 20 12.339 1.593 -4.322 1.00 0.00 N ATOM 324 CA CYS A 20 12.040 2.316 -3.047 1.00 0.00 C ATOM 325 C CYS A 20 13.118 3.361 -2.740 1.00 0.00 C ATOM 326 O CYS A 20 12.820 4.420 -2.213 1.00 0.00 O ATOM 327 CB CYS A 20 11.982 1.293 -1.914 1.00 0.00 C ATOM 328 SG CYS A 20 10.308 0.615 -1.815 1.00 0.00 S ATOM 0 H CYS A 20 12.914 0.758 -4.211 1.00 0.00 H new ATOM 0 HA CYS A 20 11.087 2.835 -3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 20 12.702 0.494 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.254 1.763 -0.969 1.00 0.00 H new ATOM 333 N ASP A 21 14.362 3.062 -3.052 1.00 0.00 N ATOM 334 CA ASP A 21 15.479 4.024 -2.769 1.00 0.00 C ATOM 335 C ASP A 21 15.349 5.289 -3.634 1.00 0.00 C ATOM 336 O ASP A 21 16.012 6.280 -3.371 1.00 0.00 O ATOM 337 CB ASP A 21 16.818 3.344 -3.060 1.00 0.00 C ATOM 338 CG ASP A 21 17.895 3.921 -2.139 1.00 0.00 C ATOM 339 OD1 ASP A 21 18.223 5.085 -2.300 1.00 0.00 O ATOM 340 OD2 ASP A 21 18.373 3.189 -1.288 1.00 0.00 O ATOM 0 H ASP A 21 14.651 2.189 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 21 15.427 4.317 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.732 2.268 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.096 3.497 -4.103 1.00 0.00 H new ATOM 345 N ASN A 22 14.517 5.259 -4.660 1.00 0.00 N ATOM 346 CA ASN A 22 14.352 6.457 -5.551 1.00 0.00 C ATOM 347 C ASN A 22 13.044 7.192 -5.228 1.00 0.00 C ATOM 348 O ASN A 22 12.929 8.385 -5.461 1.00 0.00 O ATOM 349 CB ASN A 22 14.330 5.999 -7.012 1.00 0.00 C ATOM 350 CG ASN A 22 15.031 7.040 -7.887 1.00 0.00 C ATOM 351 OD1 ASN A 22 16.235 7.193 -7.823 1.00 0.00 O ATOM 352 ND2 ASN A 22 14.324 7.769 -8.707 1.00 0.00 N ATOM 0 H ASN A 22 13.946 4.453 -4.916 1.00 0.00 H new ATOM 0 HA ASN A 22 15.187 7.138 -5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.827 5.034 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.301 5.862 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.782 8.467 -9.294 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.314 7.641 -8.761 1.00 0.00 H new ATOM 359 N LEU A 23 12.060 6.482 -4.716 1.00 0.00 N ATOM 360 CA LEU A 23 10.738 7.110 -4.387 1.00 0.00 C ATOM 361 C LEU A 23 10.720 7.598 -2.938 1.00 0.00 C ATOM 362 O LEU A 23 10.036 8.553 -2.615 1.00 0.00 O ATOM 363 CB LEU A 23 9.632 6.070 -4.582 1.00 0.00 C ATOM 364 CG LEU A 23 9.174 6.074 -6.042 1.00 0.00 C ATOM 365 CD1 LEU A 23 10.329 5.643 -6.953 1.00 0.00 C ATOM 366 CD2 LEU A 23 8.004 5.103 -6.206 1.00 0.00 C ATOM 0 H LEU A 23 12.119 5.485 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 23 10.577 7.964 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.997 5.080 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.790 6.292 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 23 8.859 7.080 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.995 5.648 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.162 6.336 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.652 4.638 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.674 5.103 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.323 4.099 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.180 5.414 -5.564 1.00 0.00 H new ATOM 378 N MET A 24 11.453 6.937 -2.073 1.00 0.00 N ATOM 379 CA MET A 24 11.489 7.324 -0.624 1.00 0.00 C ATOM 380 C MET A 24 11.858 8.818 -0.429 1.00 0.00 C ATOM 381 O MET A 24 11.212 9.476 0.370 1.00 0.00 O ATOM 382 CB MET A 24 12.493 6.425 0.118 1.00 0.00 C ATOM 383 CG MET A 24 12.554 6.805 1.603 1.00 0.00 C ATOM 384 SD MET A 24 13.418 5.522 2.550 1.00 0.00 S ATOM 385 CE MET A 24 14.900 5.402 1.519 1.00 0.00 C ATOM 0 H MET A 24 12.036 6.135 -2.312 1.00 0.00 H new ATOM 0 HA MET A 24 10.490 7.185 -0.211 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.201 5.380 0.015 1.00 0.00 H new ATOM 0 HB3 MET A 24 13.481 6.525 -0.331 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.067 7.760 1.720 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.545 6.936 1.993 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.640 4.776 2.017 1.00 0.00 H new ATOM 0 HE2 MET A 24 14.639 4.960 0.557 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.315 6.398 1.361 1.00 0.00 H new ATOM 395 N PRO A 25 12.883 9.323 -1.117 1.00 0.00 N ATOM 396 CA PRO A 25 13.310 10.734 -0.954 1.00 0.00 C ATOM 397 C PRO A 25 12.404 11.718 -1.714 1.00 0.00 C ATOM 398 O PRO A 25 12.688 12.905 -1.746 1.00 0.00 O ATOM 399 CB PRO A 25 14.725 10.757 -1.537 1.00 0.00 C ATOM 400 CG PRO A 25 14.819 9.555 -2.504 1.00 0.00 C ATOM 401 CD PRO A 25 13.707 8.570 -2.099 1.00 0.00 C ATOM 0 HA PRO A 25 13.260 11.048 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.913 11.693 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.472 10.679 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.691 9.879 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.798 9.081 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.115 8.263 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.121 7.663 -1.658 1.00 0.00 H new ATOM 409 N THR A 26 11.327 11.249 -2.320 1.00 0.00 N ATOM 410 CA THR A 26 10.413 12.173 -3.072 1.00 0.00 C ATOM 411 C THR A 26 9.467 12.865 -2.086 1.00 0.00 C ATOM 412 O THR A 26 9.557 12.669 -0.885 1.00 0.00 O ATOM 413 CB THR A 26 9.577 11.399 -4.109 1.00 0.00 C ATOM 414 OG1 THR A 26 10.236 10.193 -4.477 1.00 0.00 O ATOM 415 CG2 THR A 26 9.380 12.267 -5.355 1.00 0.00 C ATOM 0 H THR A 26 11.046 10.268 -2.324 1.00 0.00 H new ATOM 0 HA THR A 26 11.023 12.910 -3.594 1.00 0.00 H new ATOM 0 HB THR A 26 8.610 11.155 -3.669 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.840 9.441 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.789 11.720 -6.089 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.860 13.185 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.351 12.515 -5.783 1.00 0.00 H new ATOM 423 N SER A 27 8.566 13.669 -2.601 1.00 0.00 N ATOM 424 CA SER A 27 7.584 14.398 -1.734 1.00 0.00 C ATOM 425 C SER A 27 6.397 13.487 -1.389 1.00 0.00 C ATOM 426 O SER A 27 5.634 13.786 -0.484 1.00 0.00 O ATOM 427 CB SER A 27 7.074 15.634 -2.476 1.00 0.00 C ATOM 428 OG SER A 27 6.128 16.312 -1.661 1.00 0.00 O ATOM 0 H SER A 27 8.468 13.853 -3.599 1.00 0.00 H new ATOM 0 HA SER A 27 8.081 14.697 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.905 16.297 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.615 15.342 -3.421 1.00 0.00 H new ATOM 0 HG SER A 27 5.800 17.106 -2.132 1.00 0.00 H new ATOM 434 N LEU A 28 6.240 12.387 -2.100 1.00 0.00 N ATOM 435 CA LEU A 28 5.111 11.446 -1.827 1.00 0.00 C ATOM 436 C LEU A 28 5.479 10.561 -0.641 1.00 0.00 C ATOM 437 O LEU A 28 4.650 10.264 0.205 1.00 0.00 O ATOM 438 CB LEU A 28 4.871 10.578 -3.064 1.00 0.00 C ATOM 439 CG LEU A 28 3.649 9.689 -2.842 1.00 0.00 C ATOM 440 CD1 LEU A 28 2.408 10.387 -3.400 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.854 8.359 -3.568 1.00 0.00 C ATOM 0 H LEU A 28 6.855 12.104 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 28 4.204 12.005 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.719 11.210 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.748 9.963 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 28 3.516 9.506 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.534 9.755 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.265 11.338 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.540 10.566 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.984 7.721 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.983 8.543 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.742 7.863 -3.176 1.00 0.00 H new ATOM 453 N PHE A 29 6.724 10.150 -0.583 1.00 0.00 N ATOM 454 CA PHE A 29 7.204 9.284 0.532 1.00 0.00 C ATOM 455 C PHE A 29 7.819 10.164 1.621 1.00 0.00 C ATOM 456 O PHE A 29 7.664 9.897 2.800 1.00 0.00 O ATOM 457 CB PHE A 29 8.255 8.310 -0.001 1.00 0.00 C ATOM 458 CG PHE A 29 7.564 7.091 -0.558 1.00 0.00 C ATOM 459 CD1 PHE A 29 7.097 6.097 0.309 1.00 0.00 C ATOM 460 CD2 PHE A 29 7.387 6.956 -1.939 1.00 0.00 C ATOM 461 CE1 PHE A 29 6.451 4.967 -0.206 1.00 0.00 C ATOM 462 CE2 PHE A 29 6.740 5.826 -2.455 1.00 0.00 C ATOM 463 CZ PHE A 29 6.273 4.831 -1.588 1.00 0.00 C ATOM 0 H PHE A 29 7.436 10.384 -1.275 1.00 0.00 H new ATOM 0 HA PHE A 29 6.370 8.720 0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.853 8.790 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.939 8.022 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.235 6.202 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.749 7.723 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.090 4.200 0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.601 5.722 -3.521 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.775 3.959 -1.985 1.00 0.00 H new ATOM 473 N ASP A 30 8.514 11.214 1.221 1.00 0.00 N ATOM 474 CA ASP A 30 9.157 12.146 2.210 1.00 0.00 C ATOM 475 C ASP A 30 9.979 11.339 3.234 1.00 0.00 C ATOM 476 O ASP A 30 10.085 11.705 4.397 1.00 0.00 O ATOM 477 CB ASP A 30 8.060 12.947 2.924 1.00 0.00 C ATOM 478 CG ASP A 30 8.696 14.093 3.712 1.00 0.00 C ATOM 479 OD1 ASP A 30 9.457 14.840 3.122 1.00 0.00 O ATOM 480 OD2 ASP A 30 8.409 14.203 4.893 1.00 0.00 O ATOM 0 H ASP A 30 8.662 11.464 0.243 1.00 0.00 H new ATOM 0 HA ASP A 30 9.828 12.830 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.351 13.342 2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.499 12.297 3.596 1.00 0.00 H new ATOM 485 N CYS A 31 10.553 10.238 2.795 1.00 0.00 N ATOM 486 CA CYS A 31 11.368 9.368 3.701 1.00 0.00 C ATOM 487 C CYS A 31 10.460 8.798 4.805 1.00 0.00 C ATOM 488 O CYS A 31 10.525 9.195 5.960 1.00 0.00 O ATOM 489 CB CYS A 31 12.520 10.186 4.302 1.00 0.00 C ATOM 490 SG CYS A 31 14.032 9.879 3.353 1.00 0.00 S ATOM 0 H CYS A 31 10.488 9.904 1.833 1.00 0.00 H new ATOM 0 HA CYS A 31 11.797 8.538 3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 31 12.275 11.248 4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.670 9.911 5.346 1.00 0.00 H new ATOM 495 N LYS A 32 9.604 7.867 4.434 1.00 0.00 N ATOM 496 CA LYS A 32 8.659 7.238 5.415 1.00 0.00 C ATOM 497 C LYS A 32 9.386 6.150 6.211 1.00 0.00 C ATOM 498 O LYS A 32 10.543 5.855 5.959 1.00 0.00 O ATOM 499 CB LYS A 32 7.479 6.613 4.661 1.00 0.00 C ATOM 500 CG LYS A 32 6.281 7.564 4.699 1.00 0.00 C ATOM 501 CD LYS A 32 5.384 7.307 3.487 1.00 0.00 C ATOM 502 CE LYS A 32 3.974 7.823 3.778 1.00 0.00 C ATOM 503 NZ LYS A 32 3.854 9.234 3.313 1.00 0.00 N ATOM 0 H LYS A 32 9.521 7.514 3.481 1.00 0.00 H new ATOM 0 HA LYS A 32 8.292 8.003 6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.762 6.410 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.212 5.658 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.716 7.417 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.625 8.598 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.791 7.806 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.354 6.241 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.236 7.199 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.767 7.762 4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.869 9.551 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.476 9.842 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.133 9.295 2.313 1.00 0.00 H new ATOM 517 N ASP A 33 8.701 5.558 7.169 1.00 0.00 N ATOM 518 CA ASP A 33 9.313 4.481 8.010 1.00 0.00 C ATOM 519 C ASP A 33 9.251 3.142 7.267 1.00 0.00 C ATOM 520 O ASP A 33 10.221 2.401 7.244 1.00 0.00 O ATOM 521 CB ASP A 33 8.558 4.369 9.337 1.00 0.00 C ATOM 522 CG ASP A 33 7.068 4.154 9.066 1.00 0.00 C ATOM 523 OD1 ASP A 33 6.443 5.063 8.547 1.00 0.00 O ATOM 524 OD2 ASP A 33 6.577 3.083 9.383 1.00 0.00 O ATOM 0 H ASP A 33 7.734 5.781 7.403 1.00 0.00 H new ATOM 0 HA ASP A 33 10.355 4.733 8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.954 3.540 9.923 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.703 5.274 9.927 1.00 0.00 H new ATOM 529 N LYS A 34 8.119 2.831 6.665 1.00 0.00 N ATOM 530 CA LYS A 34 7.977 1.539 5.916 1.00 0.00 C ATOM 531 C LYS A 34 6.766 1.602 4.979 1.00 0.00 C ATOM 532 O LYS A 34 5.880 2.422 5.156 1.00 0.00 O ATOM 533 CB LYS A 34 7.801 0.385 6.908 1.00 0.00 C ATOM 534 CG LYS A 34 6.580 0.643 7.805 1.00 0.00 C ATOM 535 CD LYS A 34 5.717 -0.621 7.882 1.00 0.00 C ATOM 536 CE LYS A 34 6.214 -1.515 9.022 1.00 0.00 C ATOM 537 NZ LYS A 34 5.869 -2.935 8.728 1.00 0.00 N ATOM 0 H LYS A 34 7.287 3.421 6.662 1.00 0.00 H new ATOM 0 HA LYS A 34 8.876 1.374 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.674 -0.553 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.697 0.281 7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.906 0.934 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.994 1.471 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.674 -0.352 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.761 -1.162 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.293 -1.408 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.760 -1.207 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.207 -3.542 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.837 -3.030 8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.322 -3.225 7.838 1.00 0.00 H new ATOM 551 N ASN A 35 6.732 0.732 3.988 1.00 0.00 N ATOM 552 CA ASN A 35 5.588 0.704 3.020 1.00 0.00 C ATOM 553 C ASN A 35 5.275 -0.756 2.660 1.00 0.00 C ATOM 554 O ASN A 35 6.098 -1.638 2.843 1.00 0.00 O ATOM 555 CB ASN A 35 5.974 1.502 1.757 1.00 0.00 C ATOM 556 CG ASN A 35 4.912 1.325 0.659 1.00 0.00 C ATOM 557 OD1 ASN A 35 4.841 0.283 0.040 1.00 0.00 O ATOM 558 ND2 ASN A 35 4.082 2.298 0.388 1.00 0.00 N ATOM 0 H ASN A 35 7.456 0.036 3.811 1.00 0.00 H new ATOM 0 HA ASN A 35 4.702 1.158 3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.076 2.559 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.944 1.166 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.378 2.180 -0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.138 3.175 0.906 1.00 0.00 H new ATOM 565 N THR A 36 4.087 -0.998 2.148 1.00 0.00 N ATOM 566 CA THR A 36 3.674 -2.383 1.755 1.00 0.00 C ATOM 567 C THR A 36 2.950 -2.323 0.408 1.00 0.00 C ATOM 568 O THR A 36 1.864 -1.775 0.312 1.00 0.00 O ATOM 569 CB THR A 36 2.729 -2.946 2.816 1.00 0.00 C ATOM 570 OG1 THR A 36 3.301 -2.762 4.102 1.00 0.00 O ATOM 571 CG2 THR A 36 2.504 -4.436 2.562 1.00 0.00 C ATOM 0 H THR A 36 3.379 -0.283 1.985 1.00 0.00 H new ATOM 0 HA THR A 36 4.552 -3.024 1.673 1.00 0.00 H new ATOM 0 HB THR A 36 1.773 -2.424 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.696 -3.121 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.830 -4.836 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.064 -4.574 1.575 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.458 -4.961 2.611 1.00 0.00 H new ATOM 579 N PHE A 37 3.547 -2.882 -0.627 1.00 0.00 N ATOM 580 CA PHE A 37 2.910 -2.866 -1.983 1.00 0.00 C ATOM 581 C PHE A 37 2.217 -4.205 -2.247 1.00 0.00 C ATOM 582 O PHE A 37 2.444 -5.179 -1.549 1.00 0.00 O ATOM 583 CB PHE A 37 3.978 -2.643 -3.058 1.00 0.00 C ATOM 584 CG PHE A 37 4.661 -1.309 -2.852 1.00 0.00 C ATOM 585 CD1 PHE A 37 3.903 -0.138 -2.716 1.00 0.00 C ATOM 586 CD2 PHE A 37 6.058 -1.247 -2.805 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.543 1.093 -2.535 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.698 -0.016 -2.624 1.00 0.00 C ATOM 589 CZ PHE A 37 5.942 1.155 -2.489 1.00 0.00 C ATOM 0 H PHE A 37 4.452 -3.350 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 37 2.179 -2.058 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.714 -3.446 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.521 -2.676 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.825 -0.186 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.642 -2.149 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.959 1.995 -2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.776 0.031 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.437 2.105 -2.350 1.00 0.00 H new ATOM 599 N ILE A 38 1.383 -4.242 -3.260 1.00 0.00 N ATOM 600 CA ILE A 38 0.648 -5.491 -3.629 1.00 0.00 C ATOM 601 C ILE A 38 0.778 -5.692 -5.146 1.00 0.00 C ATOM 602 O ILE A 38 0.732 -4.736 -5.907 1.00 0.00 O ATOM 603 CB ILE A 38 -0.829 -5.354 -3.186 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.531 -6.730 -3.225 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.585 -4.332 -4.053 1.00 0.00 C ATOM 606 CD1 ILE A 38 -1.719 -7.235 -4.664 1.00 0.00 C ATOM 0 H ILE A 38 1.178 -3.441 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 38 1.065 -6.365 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.839 -4.985 -2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.944 -7.454 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.502 -6.656 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.619 -4.261 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.107 -3.356 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.566 -4.653 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.216 -8.205 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.329 -6.525 -5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.746 -7.334 -5.145 1.00 0.00 H new ATOM 618 N TYR A 39 0.947 -6.923 -5.579 1.00 0.00 N ATOM 619 CA TYR A 39 1.092 -7.208 -7.041 1.00 0.00 C ATOM 620 C TYR A 39 -0.271 -7.608 -7.617 1.00 0.00 C ATOM 621 O TYR A 39 -0.666 -8.763 -7.569 1.00 0.00 O ATOM 622 CB TYR A 39 2.101 -8.343 -7.246 1.00 0.00 C ATOM 623 CG TYR A 39 2.344 -8.545 -8.724 1.00 0.00 C ATOM 624 CD1 TYR A 39 2.910 -7.518 -9.488 1.00 0.00 C ATOM 625 CD2 TYR A 39 1.999 -9.760 -9.330 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.130 -7.704 -10.858 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.220 -9.946 -10.700 1.00 0.00 C ATOM 628 CZ TYR A 39 2.785 -8.918 -11.464 1.00 0.00 C ATOM 629 OH TYR A 39 3.001 -9.102 -12.814 1.00 0.00 O ATOM 0 H TYR A 39 0.990 -7.745 -4.976 1.00 0.00 H new ATOM 0 HA TYR A 39 1.452 -6.317 -7.555 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.038 -8.105 -6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.724 -9.263 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.177 -6.582 -9.021 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.563 -10.553 -8.741 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.566 -6.911 -11.447 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.955 -10.883 -11.167 1.00 0.00 H new ATOM 0 HH TYR A 39 2.707 -10.000 -13.073 1.00 0.00 H new ATOM 639 N SER A 40 -0.984 -6.643 -8.158 1.00 0.00 N ATOM 640 CA SER A 40 -2.329 -6.914 -8.752 1.00 0.00 C ATOM 641 C SER A 40 -2.840 -5.653 -9.450 1.00 0.00 C ATOM 642 O SER A 40 -2.256 -4.587 -9.327 1.00 0.00 O ATOM 643 CB SER A 40 -3.303 -7.310 -7.643 1.00 0.00 C ATOM 644 OG SER A 40 -4.373 -8.058 -8.204 1.00 0.00 O ATOM 0 H SER A 40 -0.684 -5.670 -8.212 1.00 0.00 H new ATOM 0 HA SER A 40 -2.251 -7.725 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.789 -7.901 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.688 -6.420 -7.146 1.00 0.00 H new ATOM 0 HG SER A 40 -4.999 -8.315 -7.495 1.00 0.00 H new ATOM 650 N LEU A 41 -3.926 -5.776 -10.181 1.00 0.00 N ATOM 651 CA LEU A 41 -4.506 -4.604 -10.906 1.00 0.00 C ATOM 652 C LEU A 41 -5.514 -3.886 -9.991 1.00 0.00 C ATOM 653 O LEU A 41 -6.075 -4.508 -9.110 1.00 0.00 O ATOM 654 CB LEU A 41 -5.223 -5.092 -12.164 1.00 0.00 C ATOM 655 CG LEU A 41 -4.206 -5.278 -13.291 1.00 0.00 C ATOM 656 CD1 LEU A 41 -3.635 -6.695 -13.236 1.00 0.00 C ATOM 657 CD2 LEU A 41 -4.898 -5.060 -14.639 1.00 0.00 C ATOM 0 H LEU A 41 -4.438 -6.649 -10.305 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.709 -3.914 -11.183 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.734 -6.033 -11.962 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.986 -4.373 -12.463 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.397 -4.557 -13.174 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.910 -6.827 -14.040 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.144 -6.853 -12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.443 -7.418 -13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.176 -5.192 -15.444 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.706 -5.783 -14.754 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.306 -4.050 -14.679 1.00 0.00 H new ATOM 669 N PRO A 42 -5.728 -2.596 -10.228 1.00 0.00 N ATOM 670 CA PRO A 42 -6.675 -1.792 -9.426 1.00 0.00 C ATOM 671 C PRO A 42 -8.128 -2.095 -9.825 1.00 0.00 C ATOM 672 O PRO A 42 -9.052 -1.742 -9.111 1.00 0.00 O ATOM 673 CB PRO A 42 -6.298 -0.345 -9.758 1.00 0.00 C ATOM 674 CG PRO A 42 -5.564 -0.382 -11.117 1.00 0.00 C ATOM 675 CD PRO A 42 -5.061 -1.824 -11.309 1.00 0.00 C ATOM 0 HA PRO A 42 -6.613 -2.005 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.186 0.284 -9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.658 0.076 -8.983 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.235 -0.095 -11.927 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.732 0.323 -11.127 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.326 -2.209 -12.294 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.976 -1.880 -11.226 1.00 0.00 H new ATOM 683 N GLY A 43 -8.330 -2.750 -10.955 1.00 0.00 N ATOM 684 CA GLY A 43 -9.713 -3.091 -11.416 1.00 0.00 C ATOM 685 C GLY A 43 -10.325 -4.156 -10.487 1.00 0.00 C ATOM 686 O GLY A 43 -11.372 -3.918 -9.913 1.00 0.00 O ATOM 0 H GLY A 43 -7.585 -3.062 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.336 -2.197 -11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.684 -3.462 -12.440 1.00 0.00 H new ATOM 690 N PRO A 44 -9.664 -5.306 -10.361 1.00 0.00 N ATOM 691 CA PRO A 44 -10.155 -6.406 -9.503 1.00 0.00 C ATOM 692 C PRO A 44 -9.930 -6.082 -8.023 1.00 0.00 C ATOM 693 O PRO A 44 -10.691 -6.517 -7.173 1.00 0.00 O ATOM 694 CB PRO A 44 -9.322 -7.614 -9.936 1.00 0.00 C ATOM 695 CG PRO A 44 -8.043 -7.049 -10.590 1.00 0.00 C ATOM 696 CD PRO A 44 -8.382 -5.619 -11.045 1.00 0.00 C ATOM 0 HA PRO A 44 -11.226 -6.579 -9.611 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.076 -8.243 -9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.876 -8.236 -10.639 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.214 -7.045 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.736 -7.663 -11.437 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.599 -4.916 -10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.486 -5.561 -12.129 1.00 0.00 H new ATOM 704 N VAL A 45 -8.902 -5.315 -7.715 1.00 0.00 N ATOM 705 CA VAL A 45 -8.628 -4.944 -6.290 1.00 0.00 C ATOM 706 C VAL A 45 -9.686 -3.933 -5.850 1.00 0.00 C ATOM 707 O VAL A 45 -10.366 -4.131 -4.855 1.00 0.00 O ATOM 708 CB VAL A 45 -7.221 -4.341 -6.172 1.00 0.00 C ATOM 709 CG1 VAL A 45 -6.963 -3.882 -4.732 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.187 -5.405 -6.548 1.00 0.00 C ATOM 0 H VAL A 45 -8.243 -4.932 -8.393 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.673 -5.825 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.142 -3.485 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.962 -3.456 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.699 -3.128 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.044 -4.735 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.185 -4.984 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.279 -6.256 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.360 -5.734 -7.573 1.00 0.00 H new ATOM 720 N LYS A 46 -9.834 -2.866 -6.604 1.00 0.00 N ATOM 721 CA LYS A 46 -10.858 -1.828 -6.275 1.00 0.00 C ATOM 722 C LYS A 46 -12.256 -2.428 -6.454 1.00 0.00 C ATOM 723 O LYS A 46 -13.208 -1.984 -5.833 1.00 0.00 O ATOM 724 CB LYS A 46 -10.695 -0.624 -7.206 1.00 0.00 C ATOM 725 CG LYS A 46 -11.632 0.497 -6.752 1.00 0.00 C ATOM 726 CD LYS A 46 -11.846 1.487 -7.901 1.00 0.00 C ATOM 727 CE LYS A 46 -10.900 2.678 -7.735 1.00 0.00 C ATOM 728 NZ LYS A 46 -11.535 3.900 -8.305 1.00 0.00 N ATOM 0 H LYS A 46 -9.282 -2.672 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.726 -1.501 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.662 -0.277 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.923 -0.910 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.588 0.080 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.208 1.012 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.664 0.995 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.881 1.830 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.673 2.832 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.954 2.478 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.892 4.710 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.730 3.751 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.426 4.093 -7.805 1.00 0.00 H new ATOM 742 N ALA A 47 -12.378 -3.438 -7.301 1.00 0.00 N ATOM 743 CA ALA A 47 -13.705 -4.094 -7.536 1.00 0.00 C ATOM 744 C ALA A 47 -14.250 -4.625 -6.209 1.00 0.00 C ATOM 745 O ALA A 47 -15.452 -4.673 -6.000 1.00 0.00 O ATOM 746 CB ALA A 47 -13.536 -5.251 -8.523 1.00 0.00 C ATOM 0 H ALA A 47 -11.606 -3.833 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.404 -3.367 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.501 -5.728 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.148 -4.870 -9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.838 -5.981 -8.112 1.00 0.00 H new ATOM 752 N LEU A 48 -13.364 -5.010 -5.310 1.00 0.00 N ATOM 753 CA LEU A 48 -13.793 -5.532 -3.976 1.00 0.00 C ATOM 754 C LEU A 48 -14.541 -4.425 -3.232 1.00 0.00 C ATOM 755 O LEU A 48 -15.520 -4.675 -2.549 1.00 0.00 O ATOM 756 CB LEU A 48 -12.560 -5.950 -3.173 1.00 0.00 C ATOM 757 CG LEU A 48 -12.060 -7.304 -3.678 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.578 -7.465 -3.335 1.00 0.00 C ATOM 759 CD2 LEU A 48 -12.862 -8.423 -3.010 1.00 0.00 C ATOM 0 H LEU A 48 -12.354 -4.982 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.445 -6.396 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.776 -5.200 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.807 -6.013 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.188 -7.357 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.224 -8.431 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.006 -6.668 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.447 -7.411 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.507 -9.389 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.733 -8.368 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.918 -8.310 -3.256 1.00 0.00 H new ATOM 771 N CYS A 49 -14.076 -3.204 -3.376 1.00 0.00 N ATOM 772 CA CYS A 49 -14.730 -2.037 -2.706 1.00 0.00 C ATOM 773 C CYS A 49 -15.961 -1.589 -3.501 1.00 0.00 C ATOM 774 O CYS A 49 -16.736 -0.775 -3.023 1.00 0.00 O ATOM 775 CB CYS A 49 -13.739 -0.878 -2.628 1.00 0.00 C ATOM 776 SG CYS A 49 -12.825 -0.970 -1.072 1.00 0.00 S ATOM 0 H CYS A 49 -13.259 -2.966 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 49 -15.040 -2.334 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.049 -0.919 -3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.269 0.072 -2.695 1.00 0.00 H new ATOM 781 N ARG A 50 -16.147 -2.104 -4.708 1.00 0.00 N ATOM 782 CA ARG A 50 -17.328 -1.708 -5.540 1.00 0.00 C ATOM 783 C ARG A 50 -18.620 -1.950 -4.748 1.00 0.00 C ATOM 784 O ARG A 50 -19.166 -3.044 -4.743 1.00 0.00 O ATOM 785 CB ARG A 50 -17.342 -2.535 -6.832 1.00 0.00 C ATOM 786 CG ARG A 50 -17.826 -1.665 -7.994 1.00 0.00 C ATOM 787 CD ARG A 50 -18.670 -2.511 -8.948 1.00 0.00 C ATOM 788 NE ARG A 50 -18.855 -1.777 -10.230 1.00 0.00 N ATOM 789 CZ ARG A 50 -20.042 -1.366 -10.581 1.00 0.00 C ATOM 790 NH1 ARG A 50 -20.978 -2.234 -10.853 1.00 0.00 N ATOM 791 NH2 ARG A 50 -20.292 -0.088 -10.662 1.00 0.00 N ATOM 0 H ARG A 50 -15.524 -2.783 -5.146 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.259 -0.650 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.343 -2.917 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.995 -3.400 -6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.414 -0.829 -7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.973 -1.241 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.181 -3.468 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -19.639 -2.729 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 50 -18.053 -1.596 -10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -20.781 -3.233 -10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -21.907 -1.913 -11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.559 0.589 -10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -21.220 0.234 -10.936 1.00 0.00 H new ATOM 805 N GLY A 51 -19.090 -0.926 -4.071 1.00 0.00 N ATOM 806 CA GLY A 51 -20.332 -1.044 -3.250 1.00 0.00 C ATOM 807 C GLY A 51 -20.175 -0.208 -1.978 1.00 0.00 C ATOM 808 O GLY A 51 -21.136 0.354 -1.480 1.00 0.00 O ATOM 0 H GLY A 51 -18.657 -0.003 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.194 -0.700 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.515 -2.087 -2.994 1.00 0.00 H new ATOM 812 N VAL A 52 -18.965 -0.129 -1.454 1.00 0.00 N ATOM 813 CA VAL A 52 -18.717 0.665 -0.208 1.00 0.00 C ATOM 814 C VAL A 52 -18.917 2.156 -0.499 1.00 0.00 C ATOM 815 O VAL A 52 -18.466 2.660 -1.515 1.00 0.00 O ATOM 816 CB VAL A 52 -17.287 0.434 0.279 1.00 0.00 C ATOM 817 CG1 VAL A 52 -17.102 1.098 1.644 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.027 -1.069 0.405 1.00 0.00 C ATOM 0 H VAL A 52 -18.139 -0.585 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.418 0.345 0.563 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.585 0.865 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.082 0.934 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.288 2.168 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.804 0.665 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.007 -1.234 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.728 -1.501 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.161 -1.544 -0.567 1.00 0.00 H new ATOM 828 N ILE A 53 -19.593 2.851 0.391 1.00 0.00 N ATOM 829 CA ILE A 53 -19.848 4.316 0.202 1.00 0.00 C ATOM 830 C ILE A 53 -19.243 5.103 1.368 1.00 0.00 C ATOM 831 O ILE A 53 -18.712 6.186 1.182 1.00 0.00 O ATOM 832 CB ILE A 53 -21.356 4.560 0.157 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.001 3.656 -0.908 1.00 0.00 C ATOM 834 CG2 ILE A 53 -21.635 6.031 -0.173 1.00 0.00 C ATOM 835 CD1 ILE A 53 -21.393 3.939 -2.288 1.00 0.00 C ATOM 0 H ILE A 53 -19.982 2.459 1.249 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.390 4.646 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 53 -21.784 4.324 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -21.851 2.609 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.077 3.826 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -22.712 6.199 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.190 6.666 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.202 6.275 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -21.859 3.292 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -21.566 4.981 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -20.321 3.745 -2.260 1.00 0.00 H new ATOM 847 N PHE A 54 -19.324 4.559 2.562 1.00 0.00 N ATOM 848 CA PHE A 54 -18.761 5.248 3.769 1.00 0.00 C ATOM 849 C PHE A 54 -17.466 4.557 4.201 1.00 0.00 C ATOM 850 O PHE A 54 -17.087 3.534 3.653 1.00 0.00 O ATOM 851 CB PHE A 54 -19.775 5.209 4.923 1.00 0.00 C ATOM 852 CG PHE A 54 -20.360 3.822 5.066 1.00 0.00 C ATOM 853 CD1 PHE A 54 -19.614 2.806 5.676 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.649 3.554 4.590 1.00 0.00 C ATOM 855 CE1 PHE A 54 -20.159 1.522 5.809 1.00 0.00 C ATOM 856 CE2 PHE A 54 -22.194 2.272 4.723 1.00 0.00 C ATOM 857 CZ PHE A 54 -21.449 1.255 5.333 1.00 0.00 C ATOM 0 H PHE A 54 -19.761 3.657 2.753 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.551 6.287 3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -19.288 5.503 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -20.572 5.929 4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.620 3.012 6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -22.224 4.338 4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.584 0.738 6.279 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -23.189 2.067 4.355 1.00 0.00 H new ATOM 0 HZ PHE A 54 -21.869 0.265 5.436 1.00 0.00 H new ATOM 867 N SER A 55 -16.791 5.126 5.176 1.00 0.00 N ATOM 868 CA SER A 55 -15.505 4.546 5.673 1.00 0.00 C ATOM 869 C SER A 55 -15.775 3.234 6.411 1.00 0.00 C ATOM 870 O SER A 55 -16.587 3.180 7.321 1.00 0.00 O ATOM 871 CB SER A 55 -14.839 5.540 6.625 1.00 0.00 C ATOM 872 OG SER A 55 -14.443 6.695 5.896 1.00 0.00 O ATOM 0 H SER A 55 -17.084 5.979 5.652 1.00 0.00 H new ATOM 0 HA SER A 55 -14.847 4.349 4.827 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.530 5.817 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.972 5.081 7.101 1.00 0.00 H new ATOM 0 HG SER A 55 -13.853 6.431 5.160 1.00 0.00 H new ATOM 878 N ALA A 56 -15.086 2.185 6.018 1.00 0.00 N ATOM 879 CA ALA A 56 -15.261 0.850 6.672 1.00 0.00 C ATOM 880 C ALA A 56 -13.966 0.053 6.515 1.00 0.00 C ATOM 881 O ALA A 56 -13.230 0.257 5.568 1.00 0.00 O ATOM 882 CB ALA A 56 -16.413 0.100 6.000 1.00 0.00 C ATOM 0 H ALA A 56 -14.402 2.200 5.262 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.489 0.979 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.541 -0.872 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.332 0.678 6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.188 -0.040 4.943 1.00 0.00 H new ATOM 888 N ASP A 57 -13.687 -0.843 7.436 1.00 0.00 N ATOM 889 CA ASP A 57 -12.430 -1.656 7.355 1.00 0.00 C ATOM 890 C ASP A 57 -12.737 -3.005 6.705 1.00 0.00 C ATOM 891 O ASP A 57 -13.561 -3.762 7.193 1.00 0.00 O ATOM 892 CB ASP A 57 -11.876 -1.881 8.762 1.00 0.00 C ATOM 893 CG ASP A 57 -11.223 -0.592 9.265 1.00 0.00 C ATOM 894 OD1 ASP A 57 -10.138 -0.281 8.801 1.00 0.00 O ATOM 895 OD2 ASP A 57 -11.818 0.061 10.105 1.00 0.00 O ATOM 0 H ASP A 57 -14.278 -1.046 8.242 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.691 -1.124 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.678 -2.182 9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.147 -2.691 8.752 1.00 0.00 H new ATOM 900 N VAL A 58 -12.077 -3.297 5.605 1.00 0.00 N ATOM 901 CA VAL A 58 -12.304 -4.589 4.884 1.00 0.00 C ATOM 902 C VAL A 58 -10.970 -5.312 4.701 1.00 0.00 C ATOM 903 O VAL A 58 -9.932 -4.687 4.568 1.00 0.00 O ATOM 904 CB VAL A 58 -12.923 -4.302 3.509 1.00 0.00 C ATOM 905 CG1 VAL A 58 -13.156 -5.614 2.752 1.00 0.00 C ATOM 906 CG2 VAL A 58 -14.259 -3.581 3.698 1.00 0.00 C ATOM 0 H VAL A 58 -11.383 -2.686 5.174 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.980 -5.217 5.465 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.242 -3.676 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.595 -5.399 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.205 -6.129 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.833 -6.248 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.702 -3.375 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.934 -4.211 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.094 -2.642 4.227 1.00 0.00 H new ATOM 916 N LEU A 59 -11.009 -6.627 4.682 1.00 0.00 N ATOM 917 CA LEU A 59 -9.768 -7.437 4.494 1.00 0.00 C ATOM 918 C LEU A 59 -9.865 -8.181 3.159 1.00 0.00 C ATOM 919 O LEU A 59 -10.847 -8.855 2.894 1.00 0.00 O ATOM 920 CB LEU A 59 -9.638 -8.443 5.643 1.00 0.00 C ATOM 921 CG LEU A 59 -8.604 -7.940 6.656 1.00 0.00 C ATOM 922 CD1 LEU A 59 -9.070 -8.272 8.074 1.00 0.00 C ATOM 923 CD2 LEU A 59 -7.258 -8.622 6.395 1.00 0.00 C ATOM 0 H LEU A 59 -11.862 -7.176 4.791 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.892 -6.788 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.603 -8.579 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.337 -9.416 5.255 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.494 -6.861 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.333 -7.913 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.028 -7.788 8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.182 -9.351 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.523 -8.264 7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.371 -9.701 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.921 -8.387 5.386 1.00 0.00 H new ATOM 935 N SER A 60 -8.853 -8.056 2.320 1.00 0.00 N ATOM 936 CA SER A 60 -8.859 -8.743 0.984 1.00 0.00 C ATOM 937 C SER A 60 -9.125 -10.240 1.167 1.00 0.00 C ATOM 938 O SER A 60 -8.559 -10.869 2.045 1.00 0.00 O ATOM 939 CB SER A 60 -7.504 -8.545 0.303 1.00 0.00 C ATOM 940 OG SER A 60 -6.486 -9.142 1.094 1.00 0.00 O ATOM 0 H SER A 60 -8.018 -7.502 2.509 1.00 0.00 H new ATOM 0 HA SER A 60 -9.646 -8.313 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.516 -8.991 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.302 -7.482 0.173 1.00 0.00 H new ATOM 0 HG SER A 60 -6.354 -10.071 0.811 1.00 0.00 H new ATOM 946 N ASN A 61 -9.986 -10.801 0.343 1.00 0.00 N ATOM 947 CA ASN A 61 -10.317 -12.259 0.444 1.00 0.00 C ATOM 948 C ASN A 61 -9.266 -13.078 -0.307 1.00 0.00 C ATOM 949 O ASN A 61 -8.988 -14.212 0.050 1.00 0.00 O ATOM 950 CB ASN A 61 -11.695 -12.514 -0.169 1.00 0.00 C ATOM 951 CG ASN A 61 -11.732 -11.971 -1.600 1.00 0.00 C ATOM 952 OD1 ASN A 61 -11.863 -10.781 -1.807 1.00 0.00 O ATOM 953 ND2 ASN A 61 -11.624 -12.800 -2.602 1.00 0.00 N ATOM 0 H ASN A 61 -10.476 -10.304 -0.401 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.325 -12.555 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.911 -13.582 -0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.466 -12.033 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.650 -12.449 -3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.514 -13.799 -2.428 1.00 0.00 H new ATOM 960 N SER A 62 -8.690 -12.508 -1.343 1.00 0.00 N ATOM 961 CA SER A 62 -7.653 -13.228 -2.146 1.00 0.00 C ATOM 962 C SER A 62 -6.258 -12.818 -1.672 1.00 0.00 C ATOM 963 O SER A 62 -6.000 -11.651 -1.428 1.00 0.00 O ATOM 964 CB SER A 62 -7.812 -12.867 -3.623 1.00 0.00 C ATOM 965 OG SER A 62 -8.752 -13.747 -4.224 1.00 0.00 O ATOM 0 H SER A 62 -8.899 -11.564 -1.667 1.00 0.00 H new ATOM 0 HA SER A 62 -7.779 -14.303 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.148 -11.835 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.851 -12.940 -4.132 1.00 0.00 H new ATOM 0 HG SER A 62 -8.857 -13.516 -5.171 1.00 0.00 H new ATOM 971 N GLU A 63 -5.362 -13.775 -1.551 1.00 0.00 N ATOM 972 CA GLU A 63 -3.964 -13.474 -1.104 1.00 0.00 C ATOM 973 C GLU A 63 -3.126 -13.100 -2.324 1.00 0.00 C ATOM 974 O GLU A 63 -3.130 -13.808 -3.319 1.00 0.00 O ATOM 975 CB GLU A 63 -3.361 -14.711 -0.434 1.00 0.00 C ATOM 976 CG GLU A 63 -4.095 -14.987 0.880 1.00 0.00 C ATOM 977 CD GLU A 63 -3.815 -16.420 1.335 1.00 0.00 C ATOM 978 OE1 GLU A 63 -2.683 -16.694 1.699 1.00 0.00 O ATOM 979 OE2 GLU A 63 -4.737 -17.219 1.312 1.00 0.00 O ATOM 0 H GLU A 63 -5.544 -14.760 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.975 -12.649 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.442 -15.573 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.299 -14.554 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.769 -14.282 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.167 -14.840 0.747 1.00 0.00 H new ATOM 986 N PHE A 64 -2.411 -11.998 -2.250 1.00 0.00 N ATOM 987 CA PHE A 64 -1.558 -11.563 -3.407 1.00 0.00 C ATOM 988 C PHE A 64 -0.115 -11.415 -2.942 1.00 0.00 C ATOM 989 O PHE A 64 0.170 -11.437 -1.752 1.00 0.00 O ATOM 990 CB PHE A 64 -2.019 -10.203 -3.960 1.00 0.00 C ATOM 991 CG PHE A 64 -3.529 -10.087 -3.951 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.276 -10.567 -5.033 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.176 -9.485 -2.866 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.672 -10.449 -5.028 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.570 -9.363 -2.861 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.318 -9.846 -3.942 1.00 0.00 C ATOM 0 H PHE A 64 -2.382 -11.381 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.645 -12.318 -4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.587 -9.400 -3.363 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.649 -10.078 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.776 -11.028 -5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.599 -9.114 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.249 -10.823 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -6.069 -8.897 -2.024 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.394 -9.753 -3.938 1.00 0.00 H new ATOM 1006 N TYR A 65 0.783 -11.227 -3.881 1.00 0.00 N ATOM 1007 CA TYR A 65 2.219 -11.028 -3.536 1.00 0.00 C ATOM 1008 C TYR A 65 2.346 -9.617 -2.975 1.00 0.00 C ATOM 1009 O TYR A 65 1.653 -8.715 -3.419 1.00 0.00 O ATOM 1010 CB TYR A 65 3.084 -11.178 -4.788 1.00 0.00 C ATOM 1011 CG TYR A 65 3.235 -12.644 -5.122 1.00 0.00 C ATOM 1012 CD1 TYR A 65 2.203 -13.322 -5.782 1.00 0.00 C ATOM 1013 CD2 TYR A 65 4.409 -13.325 -4.773 1.00 0.00 C ATOM 1014 CE1 TYR A 65 2.344 -14.680 -6.093 1.00 0.00 C ATOM 1015 CE2 TYR A 65 4.549 -14.682 -5.084 1.00 0.00 C ATOM 1016 CZ TYR A 65 3.517 -15.360 -5.744 1.00 0.00 C ATOM 1017 OH TYR A 65 3.656 -16.699 -6.048 1.00 0.00 O ATOM 0 H TYR A 65 0.576 -11.204 -4.879 1.00 0.00 H new ATOM 0 HA TYR A 65 2.554 -11.768 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.627 -10.648 -5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.063 -10.729 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.298 -12.798 -6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.206 -12.803 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.548 -15.203 -6.602 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.454 -15.207 -4.815 1.00 0.00 H new ATOM 0 HH TYR A 65 4.530 -17.016 -5.737 1.00 0.00 H new ATOM 1027 N LEU A 66 3.194 -9.426 -1.994 1.00 0.00 N ATOM 1028 CA LEU A 66 3.341 -8.076 -1.375 1.00 0.00 C ATOM 1029 C LEU A 66 4.805 -7.657 -1.342 1.00 0.00 C ATOM 1030 O LEU A 66 5.636 -8.314 -0.734 1.00 0.00 O ATOM 1031 CB LEU A 66 2.792 -8.113 0.053 1.00 0.00 C ATOM 1032 CG LEU A 66 1.320 -8.530 0.026 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.002 -9.373 1.261 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.435 -7.281 0.019 1.00 0.00 C ATOM 0 H LEU A 66 3.791 -10.150 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 66 2.784 -7.354 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.368 -8.814 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.894 -7.133 0.518 1.00 0.00 H new ATOM 0 HG LEU A 66 1.128 -9.117 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.047 -9.669 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.630 -10.264 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.196 -8.788 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.614 -7.578 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.629 -6.693 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.659 -6.682 -0.864 1.00 0.00 H new ATOM 1046 N ALA A 67 5.105 -6.546 -1.976 1.00 0.00 N ATOM 1047 CA ALA A 67 6.498 -6.015 -1.989 1.00 0.00 C ATOM 1048 C ALA A 67 6.555 -4.843 -1.011 1.00 0.00 C ATOM 1049 O ALA A 67 6.165 -3.733 -1.338 1.00 0.00 O ATOM 1050 CB ALA A 67 6.861 -5.539 -3.398 1.00 0.00 C ATOM 0 H ALA A 67 4.430 -5.980 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 67 7.207 -6.790 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.880 -5.152 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.788 -6.375 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.173 -4.751 -3.704 1.00 0.00 H new ATOM 1056 N GLU A 68 7.022 -5.093 0.191 1.00 0.00 N ATOM 1057 CA GLU A 68 7.093 -4.008 1.221 1.00 0.00 C ATOM 1058 C GLU A 68 8.496 -3.423 1.253 1.00 0.00 C ATOM 1059 O GLU A 68 9.431 -3.989 0.710 1.00 0.00 O ATOM 1060 CB GLU A 68 6.735 -4.550 2.611 1.00 0.00 C ATOM 1061 CG GLU A 68 7.453 -5.878 2.863 1.00 0.00 C ATOM 1062 CD GLU A 68 7.909 -5.951 4.322 1.00 0.00 C ATOM 1063 OE1 GLU A 68 7.068 -6.184 5.174 1.00 0.00 O ATOM 1064 OE2 GLU A 68 9.092 -5.771 4.561 1.00 0.00 O ATOM 0 H GLU A 68 7.358 -6.004 0.503 1.00 0.00 H new ATOM 0 HA GLU A 68 6.375 -3.233 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.017 -3.826 3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.657 -4.691 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.787 -6.711 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.312 -5.969 2.199 1.00 0.00 H new ATOM 1071 N CYS A 69 8.624 -2.282 1.879 1.00 0.00 N ATOM 1072 CA CYS A 69 9.940 -1.593 1.970 1.00 0.00 C ATOM 1073 C CYS A 69 10.131 -1.066 3.390 1.00 0.00 C ATOM 1074 O CYS A 69 9.443 -0.153 3.810 1.00 0.00 O ATOM 1075 CB CYS A 69 9.948 -0.428 0.984 1.00 0.00 C ATOM 1076 SG CYS A 69 10.505 -1.008 -0.634 1.00 0.00 S ATOM 0 H CYS A 69 7.856 -1.792 2.338 1.00 0.00 H new ATOM 0 HA CYS A 69 10.748 -2.285 1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 69 8.949 0.001 0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.606 0.362 1.345 1.00 0.00 H new ATOM 1081 N ASN A 70 11.056 -1.645 4.124 1.00 0.00 N ATOM 1082 CA ASN A 70 11.310 -1.201 5.532 1.00 0.00 C ATOM 1083 C ASN A 70 12.602 -0.385 5.587 1.00 0.00 C ATOM 1084 O ASN A 70 13.635 -0.818 5.100 1.00 0.00 O ATOM 1085 CB ASN A 70 11.442 -2.427 6.436 1.00 0.00 C ATOM 1086 CG ASN A 70 11.333 -1.994 7.898 1.00 0.00 C ATOM 1087 OD1 ASN A 70 12.229 -1.366 8.428 1.00 0.00 O ATOM 1088 ND2 ASN A 70 10.264 -2.305 8.579 1.00 0.00 N ATOM 0 H ASN A 70 11.649 -2.411 3.804 1.00 0.00 H new ATOM 0 HA ASN A 70 10.478 -0.585 5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.662 -3.152 6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.398 -2.920 6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.181 -2.021 9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.512 -2.832 8.135 1.00 0.00 H new ATOM 1095 N VAL A 71 12.541 0.792 6.179 1.00 0.00 N ATOM 1096 CA VAL A 71 13.754 1.662 6.287 1.00 0.00 C ATOM 1097 C VAL A 71 14.684 1.074 7.353 1.00 0.00 C ATOM 1098 O VAL A 71 14.345 1.035 8.524 1.00 0.00 O ATOM 1099 CB VAL A 71 13.337 3.093 6.677 1.00 0.00 C ATOM 1100 CG1 VAL A 71 14.578 3.973 6.874 1.00 0.00 C ATOM 1101 CG2 VAL A 71 12.482 3.697 5.564 1.00 0.00 C ATOM 0 H VAL A 71 11.695 1.185 6.593 1.00 0.00 H new ATOM 0 HA VAL A 71 14.272 1.702 5.329 1.00 0.00 H new ATOM 0 HB VAL A 71 12.770 3.049 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.269 4.981 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.199 3.555 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.149 4.009 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.187 4.709 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.057 3.726 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.591 3.087 5.418 1.00 0.00 H new ATOM 1111 N LYS A 72 15.848 0.616 6.943 1.00 0.00 N ATOM 1112 CA LYS A 72 16.825 0.021 7.909 1.00 0.00 C ATOM 1113 C LYS A 72 17.206 1.076 8.965 1.00 0.00 C ATOM 1114 O LYS A 72 17.267 2.249 8.642 1.00 0.00 O ATOM 1115 CB LYS A 72 18.082 -0.417 7.154 1.00 0.00 C ATOM 1116 CG LYS A 72 17.769 -1.653 6.300 1.00 0.00 C ATOM 1117 CD LYS A 72 18.895 -2.682 6.450 1.00 0.00 C ATOM 1118 CE LYS A 72 18.499 -3.740 7.485 1.00 0.00 C ATOM 1119 NZ LYS A 72 19.640 -3.976 8.413 1.00 0.00 N ATOM 0 H LYS A 72 16.162 0.631 5.973 1.00 0.00 H new ATOM 0 HA LYS A 72 16.374 -0.841 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.438 0.395 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.881 -0.644 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.820 -2.090 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.662 -1.367 5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.096 -3.157 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.815 -2.185 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.624 -3.408 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.224 -4.669 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.373 -4.694 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.463 -4.310 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.882 -3.089 8.899 1.00 0.00 H new ATOM 1133 N PRO A 73 17.453 0.643 10.199 1.00 0.00 N ATOM 1134 CA PRO A 73 17.827 1.560 11.295 1.00 0.00 C ATOM 1135 C PRO A 73 19.311 1.926 11.203 1.00 0.00 C ATOM 1136 O PRO A 73 20.096 1.200 10.616 1.00 0.00 O ATOM 1137 CB PRO A 73 17.552 0.748 12.561 1.00 0.00 C ATOM 1138 CG PRO A 73 17.591 -0.741 12.145 1.00 0.00 C ATOM 1139 CD PRO A 73 17.382 -0.782 10.620 1.00 0.00 C ATOM 0 HA PRO A 73 17.275 2.500 11.268 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.300 0.957 13.326 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.582 1.007 12.985 1.00 0.00 H new ATOM 0 HG2 PRO A 73 18.545 -1.194 12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.812 -1.306 12.657 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.150 -1.380 10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.420 -1.225 10.362 1.00 0.00 H new ATOM 1147 N ARG A 74 19.689 3.049 11.781 1.00 0.00 N ATOM 1148 CA ARG A 74 21.116 3.498 11.751 1.00 0.00 C ATOM 1149 C ARG A 74 21.554 3.719 10.297 1.00 0.00 C ATOM 1150 O ARG A 74 22.723 3.588 9.961 1.00 0.00 O ATOM 1151 CB ARG A 74 21.998 2.433 12.417 1.00 0.00 C ATOM 1152 CG ARG A 74 21.567 2.253 13.875 1.00 0.00 C ATOM 1153 CD ARG A 74 22.062 3.438 14.706 1.00 0.00 C ATOM 1154 NE ARG A 74 23.512 3.267 14.999 1.00 0.00 N ATOM 1155 CZ ARG A 74 24.303 4.304 15.004 1.00 0.00 C ATOM 1156 NH1 ARG A 74 23.926 5.409 15.587 1.00 0.00 N ATOM 1157 NH2 ARG A 74 25.472 4.236 14.424 1.00 0.00 N ATOM 0 H ARG A 74 19.057 3.678 12.277 1.00 0.00 H new ATOM 0 HA ARG A 74 21.219 4.436 12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.912 1.487 11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.045 2.732 12.370 1.00 0.00 H new ATOM 0 HG2 ARG A 74 20.481 2.180 13.938 1.00 0.00 H new ATOM 0 HG3 ARG A 74 21.972 1.322 14.272 1.00 0.00 H new ATOM 0 HD2 ARG A 74 21.897 4.370 14.165 1.00 0.00 H new ATOM 0 HD3 ARG A 74 21.497 3.505 15.636 1.00 0.00 H new ATOM 0 HE ARG A 74 23.887 2.339 15.196 1.00 0.00 H new ATOM 0 HH11 ARG A 74 23.013 5.462 16.039 1.00 0.00 H new ATOM 0 HH12 ARG A 74 24.544 6.220 15.591 1.00 0.00 H new ATOM 0 HH21 ARG A 74 25.765 3.372 13.968 1.00 0.00 H new ATOM 0 HH22 ARG A 74 26.091 5.047 14.428 1.00 0.00 H new ATOM 1171 N LYS A 75 20.616 4.067 9.441 1.00 0.00 N ATOM 1172 CA LYS A 75 20.938 4.318 8.002 1.00 0.00 C ATOM 1173 C LYS A 75 20.161 5.559 7.523 1.00 0.00 C ATOM 1174 O LYS A 75 19.035 5.756 7.944 1.00 0.00 O ATOM 1175 CB LYS A 75 20.543 3.096 7.171 1.00 0.00 C ATOM 1176 CG LYS A 75 21.624 2.019 7.306 1.00 0.00 C ATOM 1177 CD LYS A 75 21.787 1.283 5.975 1.00 0.00 C ATOM 1178 CE LYS A 75 22.990 0.340 6.055 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.217 1.061 5.613 1.00 0.00 N ATOM 0 H LYS A 75 19.633 4.188 9.685 1.00 0.00 H new ATOM 0 HA LYS A 75 22.007 4.494 7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.582 2.707 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.423 3.377 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.570 2.474 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.353 1.314 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.883 0.718 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.927 2.000 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.115 -0.021 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.823 -0.534 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.035 0.420 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.095 1.385 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.379 1.882 6.231 1.00 0.00 H new ATOM 1193 N PRO A 76 20.778 6.380 6.671 1.00 0.00 N ATOM 1194 CA PRO A 76 20.140 7.611 6.163 1.00 0.00 C ATOM 1195 C PRO A 76 19.135 7.305 5.040 1.00 0.00 C ATOM 1196 O PRO A 76 19.470 7.300 3.866 1.00 0.00 O ATOM 1197 CB PRO A 76 21.318 8.447 5.650 1.00 0.00 C ATOM 1198 CG PRO A 76 22.469 7.454 5.361 1.00 0.00 C ATOM 1199 CD PRO A 76 22.151 6.165 6.142 1.00 0.00 C ATOM 0 HA PRO A 76 19.560 8.128 6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.042 8.994 4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 76 21.621 9.187 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.545 7.250 4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.426 7.870 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.195 5.288 5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 76 22.866 6.003 6.948 1.00 0.00 H new ATOM 1207 N CYS A 77 17.895 7.071 5.415 1.00 0.00 N ATOM 1208 CA CYS A 77 16.806 6.783 4.422 1.00 0.00 C ATOM 1209 C CYS A 77 17.233 5.679 3.430 1.00 0.00 C ATOM 1210 O CYS A 77 17.485 5.931 2.260 1.00 0.00 O ATOM 1211 CB CYS A 77 16.449 8.078 3.676 1.00 0.00 C ATOM 1212 SG CYS A 77 15.303 9.051 4.687 1.00 0.00 S ATOM 0 H CYS A 77 17.587 7.068 6.387 1.00 0.00 H new ATOM 0 HA CYS A 77 15.928 6.418 4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.351 8.654 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 77 15.995 7.844 2.713 1.00 0.00 H new ATOM 1217 N LYS A 78 17.284 4.455 3.906 1.00 0.00 N ATOM 1218 CA LYS A 78 17.652 3.287 3.039 1.00 0.00 C ATOM 1219 C LYS A 78 16.525 2.256 3.136 1.00 0.00 C ATOM 1220 O LYS A 78 16.182 1.825 4.222 1.00 0.00 O ATOM 1221 CB LYS A 78 18.963 2.664 3.532 1.00 0.00 C ATOM 1222 CG LYS A 78 20.021 3.756 3.713 1.00 0.00 C ATOM 1223 CD LYS A 78 20.332 4.401 2.361 1.00 0.00 C ATOM 1224 CE LYS A 78 21.666 5.146 2.441 1.00 0.00 C ATOM 1225 NZ LYS A 78 21.820 6.026 1.247 1.00 0.00 N ATOM 0 H LYS A 78 17.082 4.213 4.876 1.00 0.00 H new ATOM 0 HA LYS A 78 17.787 3.610 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.797 2.146 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.314 1.920 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 78 19.663 4.511 4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.928 3.330 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.377 3.637 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.535 5.091 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.707 5.742 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.490 4.434 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 22.727 6.532 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 21.799 5.447 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 21.041 6.715 1.220 1.00 0.00 H new ATOM 1239 N TYR A 79 15.933 1.885 2.017 1.00 0.00 N ATOM 1240 CA TYR A 79 14.798 0.904 2.045 1.00 0.00 C ATOM 1241 C TYR A 79 15.280 -0.511 1.717 1.00 0.00 C ATOM 1242 O TYR A 79 16.249 -0.704 1.003 1.00 0.00 O ATOM 1243 CB TYR A 79 13.731 1.317 1.015 1.00 0.00 C ATOM 1244 CG TYR A 79 12.560 2.022 1.681 1.00 0.00 C ATOM 1245 CD1 TYR A 79 12.033 1.561 2.898 1.00 0.00 C ATOM 1246 CD2 TYR A 79 11.991 3.135 1.060 1.00 0.00 C ATOM 1247 CE1 TYR A 79 10.947 2.216 3.485 1.00 0.00 C ATOM 1248 CE2 TYR A 79 10.904 3.793 1.648 1.00 0.00 C ATOM 1249 CZ TYR A 79 10.382 3.333 2.862 1.00 0.00 C ATOM 1250 OH TYR A 79 9.310 3.980 3.442 1.00 0.00 O ATOM 0 H TYR A 79 16.189 2.221 1.088 1.00 0.00 H new ATOM 0 HA TYR A 79 14.376 0.907 3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.178 1.975 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 79 13.373 0.434 0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.468 0.699 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.391 3.490 0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.544 1.859 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.469 4.655 1.165 1.00 0.00 H new ATOM 0 HH TYR A 79 9.041 4.736 2.879 1.00 0.00 H new ATOM 1260 N LYS A 80 14.565 -1.493 2.227 1.00 0.00 N ATOM 1261 CA LYS A 80 14.897 -2.927 1.965 1.00 0.00 C ATOM 1262 C LYS A 80 13.645 -3.610 1.413 1.00 0.00 C ATOM 1263 O LYS A 80 12.577 -3.517 1.996 1.00 0.00 O ATOM 1264 CB LYS A 80 15.331 -3.605 3.271 1.00 0.00 C ATOM 1265 CG LYS A 80 16.852 -3.786 3.274 1.00 0.00 C ATOM 1266 CD LYS A 80 17.210 -5.101 2.577 1.00 0.00 C ATOM 1267 CE LYS A 80 18.724 -5.327 2.662 1.00 0.00 C ATOM 1268 NZ LYS A 80 19.426 -4.436 1.692 1.00 0.00 N ATOM 0 H LYS A 80 13.751 -1.352 2.825 1.00 0.00 H new ATOM 0 HA LYS A 80 15.714 -3.003 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.025 -3.001 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.839 -4.573 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.330 -2.950 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.227 -3.791 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.681 -5.930 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.894 -5.071 1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.074 -5.125 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.958 -6.370 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.443 -4.654 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.041 -4.589 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.284 -3.443 1.967 1.00 0.00 H new ATOM 1282 N LEU A 81 13.768 -4.270 0.281 1.00 0.00 N ATOM 1283 CA LEU A 81 12.591 -4.947 -0.354 1.00 0.00 C ATOM 1284 C LEU A 81 12.305 -6.290 0.327 1.00 0.00 C ATOM 1285 O LEU A 81 13.210 -7.052 0.621 1.00 0.00 O ATOM 1286 CB LEU A 81 12.889 -5.178 -1.839 1.00 0.00 C ATOM 1287 CG LEU A 81 12.379 -3.989 -2.660 1.00 0.00 C ATOM 1288 CD1 LEU A 81 13.117 -2.711 -2.244 1.00 0.00 C ATOM 1289 CD2 LEU A 81 12.628 -4.256 -4.147 1.00 0.00 C ATOM 0 H LEU A 81 14.643 -4.368 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 81 11.713 -4.310 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.961 -5.303 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.411 -6.097 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 81 11.311 -3.861 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.749 -1.870 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.942 -2.518 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.186 -2.835 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.266 -3.412 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.696 -4.386 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.099 -5.160 -4.448 1.00 0.00 H new ATOM 1301 N LYS A 82 11.038 -6.574 0.562 1.00 0.00 N ATOM 1302 CA LYS A 82 10.633 -7.863 1.208 1.00 0.00 C ATOM 1303 C LYS A 82 9.377 -8.394 0.509 1.00 0.00 C ATOM 1304 O LYS A 82 8.367 -7.713 0.440 1.00 0.00 O ATOM 1305 CB LYS A 82 10.342 -7.624 2.699 1.00 0.00 C ATOM 1306 CG LYS A 82 11.079 -8.668 3.540 1.00 0.00 C ATOM 1307 CD LYS A 82 12.586 -8.421 3.446 1.00 0.00 C ATOM 1308 CE LYS A 82 13.319 -9.316 4.447 1.00 0.00 C ATOM 1309 NZ LYS A 82 13.392 -8.629 5.766 1.00 0.00 N ATOM 0 H LYS A 82 10.261 -5.956 0.328 1.00 0.00 H new ATOM 0 HA LYS A 82 11.438 -8.593 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.660 -6.621 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.270 -7.684 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.754 -8.611 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.841 -9.671 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.936 -8.628 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.806 -7.373 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.798 -10.268 4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.323 -9.539 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.890 -9.237 6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.907 -7.731 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.430 -8.438 6.112 1.00 0.00 H new ATOM 1323 N LYS A 83 9.447 -9.597 -0.022 1.00 0.00 N ATOM 1324 CA LYS A 83 8.279 -10.197 -0.744 1.00 0.00 C ATOM 1325 C LYS A 83 7.530 -11.170 0.172 1.00 0.00 C ATOM 1326 O LYS A 83 8.131 -11.851 0.986 1.00 0.00 O ATOM 1327 CB LYS A 83 8.790 -10.955 -1.972 1.00 0.00 C ATOM 1328 CG LYS A 83 9.864 -11.966 -1.545 1.00 0.00 C ATOM 1329 CD LYS A 83 11.257 -11.422 -1.882 1.00 0.00 C ATOM 1330 CE LYS A 83 11.732 -12.014 -3.210 1.00 0.00 C ATOM 1331 NZ LYS A 83 13.222 -11.993 -3.261 1.00 0.00 N ATOM 0 H LYS A 83 10.274 -10.193 0.016 1.00 0.00 H new ATOM 0 HA LYS A 83 7.598 -9.401 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.965 -11.472 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.204 -10.255 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.789 -12.159 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.703 -12.917 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.228 -10.334 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.959 -11.675 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.369 -13.036 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.321 -11.443 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.544 -12.396 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.558 -11.012 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.604 -12.556 -2.475 1.00 0.00 H new ATOM 1345 N SER A 84 6.219 -11.237 0.030 1.00 0.00 N ATOM 1346 CA SER A 84 5.398 -12.166 0.874 1.00 0.00 C ATOM 1347 C SER A 84 4.023 -12.385 0.228 1.00 0.00 C ATOM 1348 O SER A 84 3.688 -11.758 -0.759 1.00 0.00 O ATOM 1349 CB SER A 84 5.215 -11.557 2.264 1.00 0.00 C ATOM 1350 OG SER A 84 4.504 -10.332 2.149 1.00 0.00 O ATOM 0 H SER A 84 5.684 -10.683 -0.639 1.00 0.00 H new ATOM 0 HA SER A 84 5.911 -13.124 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.671 -12.248 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.186 -11.385 2.729 1.00 0.00 H new ATOM 0 HG SER A 84 4.383 -9.939 3.039 1.00 0.00 H new ATOM 1356 N SER A 85 3.233 -13.272 0.797 1.00 0.00 N ATOM 1357 CA SER A 85 1.862 -13.561 0.259 1.00 0.00 C ATOM 1358 C SER A 85 0.864 -13.473 1.417 1.00 0.00 C ATOM 1359 O SER A 85 0.995 -14.185 2.399 1.00 0.00 O ATOM 1360 CB SER A 85 1.844 -14.970 -0.347 1.00 0.00 C ATOM 1361 OG SER A 85 1.660 -14.873 -1.754 1.00 0.00 O ATOM 0 H SER A 85 3.486 -13.814 1.623 1.00 0.00 H new ATOM 0 HA SER A 85 1.593 -12.842 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.778 -15.486 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.041 -15.559 0.097 1.00 0.00 H new ATOM 0 HG SER A 85 1.650 -15.771 -2.145 1.00 0.00 H new ATOM 1367 N ASN A 86 -0.114 -12.590 1.317 1.00 0.00 N ATOM 1368 CA ASN A 86 -1.111 -12.437 2.428 1.00 0.00 C ATOM 1369 C ASN A 86 -2.242 -11.492 2.009 1.00 0.00 C ATOM 1370 O ASN A 86 -2.249 -10.962 0.908 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.388 -11.850 3.647 1.00 0.00 C ATOM 1372 CG ASN A 86 -1.057 -12.326 4.938 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -1.641 -11.452 5.713 1.00 0.00 O flip ATOM 1374 ND2 ASN A 86 -1.043 -13.501 5.248 1.00 0.00 N flip ATOM 0 H ASN A 86 -0.260 -11.974 0.517 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.542 -13.410 2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.659 -12.153 3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.405 -10.761 3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.587 -14.183 4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.488 -13.805 6.114 1.00 0.00 H new ATOM 1381 N ARG A 87 -3.185 -11.277 2.903 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.333 -10.356 2.632 1.00 0.00 C ATOM 1383 C ARG A 87 -4.035 -9.003 3.293 1.00 0.00 C ATOM 1384 O ARG A 87 -3.026 -8.851 3.972 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.615 -10.952 3.221 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.837 -12.350 2.636 1.00 0.00 C ATOM 1387 CD ARG A 87 -7.126 -12.958 3.201 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.863 -14.360 3.628 1.00 0.00 N ATOM 1389 CZ ARG A 87 -7.124 -14.729 4.852 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -8.338 -15.071 5.185 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -6.170 -14.758 5.743 1.00 0.00 N ATOM 0 H ARG A 87 -3.204 -11.712 3.826 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.467 -10.223 1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.539 -11.007 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.466 -10.310 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.899 -12.293 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.988 -12.991 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.479 -12.368 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.913 -12.937 2.447 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.479 -15.032 2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.083 -15.050 4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.542 -15.360 6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.220 -14.492 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.374 -15.046 6.700 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.890 -8.019 3.096 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.639 -6.671 3.702 1.00 0.00 C ATOM 1407 C ILE A 88 -5.938 -6.044 4.207 1.00 0.00 C ATOM 1408 O ILE A 88 -6.973 -6.135 3.569 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.012 -5.749 2.650 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.832 -5.806 1.356 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.580 -6.202 2.363 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.757 -4.455 0.640 1.00 0.00 C ATOM 0 H ILE A 88 -5.745 -8.094 2.545 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.962 -6.796 4.547 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.004 -4.727 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.451 -6.595 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.870 -6.052 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.134 -5.547 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.993 -6.157 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.590 -7.226 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.341 -4.498 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.159 -3.677 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.718 -4.227 0.400 1.00 0.00 H new ATOM 1424 N CYS A 89 -5.863 -5.385 5.344 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.054 -4.698 5.931 1.00 0.00 C ATOM 1426 C CYS A 89 -6.963 -3.219 5.556 1.00 0.00 C ATOM 1427 O CYS A 89 -5.968 -2.574 5.839 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.032 -4.853 7.455 1.00 0.00 C ATOM 1429 SG CYS A 89 -8.627 -4.350 8.145 1.00 0.00 S ATOM 0 H CYS A 89 -5.010 -5.296 5.896 1.00 0.00 H new ATOM 0 HA CYS A 89 -7.980 -5.131 5.552 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.820 -5.889 7.721 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.233 -4.245 7.880 1.00 0.00 H new ATOM 0 HG CYS A 89 -8.603 -4.486 9.438 1.00 0.00 H new ATOM 1434 N ILE A 90 -7.970 -2.692 4.890 1.00 0.00 N ATOM 1435 CA ILE A 90 -7.929 -1.258 4.449 1.00 0.00 C ATOM 1436 C ILE A 90 -9.245 -0.541 4.765 1.00 0.00 C ATOM 1437 O ILE A 90 -10.293 -1.157 4.863 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.677 -1.215 2.936 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -8.669 -2.156 2.226 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.238 -1.664 2.654 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -8.404 -2.181 0.715 1.00 0.00 C ATOM 0 H ILE A 90 -8.819 -3.196 4.633 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.129 -0.749 4.987 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.819 -0.200 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.578 -3.163 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.690 -1.826 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.052 -1.636 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.542 -0.995 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.096 -2.681 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.115 -2.851 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.519 -1.176 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.389 -2.533 0.529 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.180 0.771 4.900 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.400 1.589 5.186 1.00 0.00 C ATOM 1455 C ARG A 91 -10.966 2.058 3.847 1.00 0.00 C ATOM 1456 O ARG A 91 -10.323 2.815 3.130 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.012 2.794 6.048 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.272 3.518 6.531 1.00 0.00 C ATOM 1459 CD ARG A 91 -10.878 4.848 7.181 1.00 0.00 C ATOM 1460 NE ARG A 91 -10.627 4.637 8.636 1.00 0.00 N ATOM 1461 CZ ARG A 91 -9.814 5.430 9.279 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -10.100 6.698 9.406 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -8.716 4.954 9.798 1.00 0.00 N ATOM 0 H ARG A 91 -8.318 1.311 4.822 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.146 1.005 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.421 2.465 6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.388 3.477 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.946 3.696 5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.810 2.896 7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.985 5.248 6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.671 5.582 7.041 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.091 3.873 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.960 7.070 9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.464 7.316 9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.494 3.963 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.080 5.573 10.301 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.141 1.580 3.490 1.00 0.00 N ATOM 1478 CA CYS A 92 -12.741 1.942 2.172 1.00 0.00 C ATOM 1479 C CYS A 92 -13.945 2.867 2.313 1.00 0.00 C ATOM 1480 O CYS A 92 -14.777 2.717 3.190 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.169 0.669 1.444 1.00 0.00 C ATOM 1482 SG CYS A 92 -12.941 0.904 -0.334 1.00 0.00 S ATOM 0 H CYS A 92 -12.707 0.953 4.062 1.00 0.00 H new ATOM 0 HA CYS A 92 -11.980 2.477 1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.579 -0.179 1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.212 0.442 1.663 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.029 3.807 1.402 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.162 4.782 1.360 1.00 0.00 C ATOM 1489 C GLU A 93 -15.247 5.303 -0.071 1.00 0.00 C ATOM 1490 O GLU A 93 -14.234 5.427 -0.733 1.00 0.00 O ATOM 1491 CB GLU A 93 -14.914 5.947 2.325 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.472 6.441 2.185 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.375 7.891 2.658 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -13.720 8.770 1.885 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -12.955 8.099 3.784 1.00 0.00 O ATOM 0 H GLU A 93 -13.337 3.941 0.664 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.091 4.298 1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.608 6.760 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.100 5.627 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.803 5.812 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.151 6.365 1.146 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.438 5.575 -0.558 1.00 0.00 N ATOM 1503 CA HIS A 94 -16.599 6.057 -1.969 1.00 0.00 C ATOM 1504 C HIS A 94 -16.046 4.984 -2.925 1.00 0.00 C ATOM 1505 O HIS A 94 -15.600 5.283 -4.023 1.00 0.00 O ATOM 1506 CB HIS A 94 -15.836 7.374 -2.157 1.00 0.00 C ATOM 1507 CG HIS A 94 -16.692 8.525 -1.704 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -17.962 8.749 -2.213 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.470 9.527 -0.793 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.450 9.849 -1.610 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.581 10.362 -0.735 1.00 0.00 N ATOM 0 H HIS A 94 -17.309 5.483 -0.035 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.653 6.231 -2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.908 7.352 -1.586 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.563 7.501 -3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.569 9.649 -0.210 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.426 10.266 -1.810 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.705 11.188 -0.150 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.079 3.731 -2.501 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.569 2.602 -3.348 1.00 0.00 C ATOM 1521 C GLU A 95 -14.053 2.765 -3.579 1.00 0.00 C ATOM 1522 O GLU A 95 -13.539 2.456 -4.648 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.315 2.594 -4.692 1.00 0.00 C ATOM 1524 CG GLU A 95 -17.825 2.606 -4.444 1.00 0.00 C ATOM 1525 CD GLU A 95 -18.561 2.319 -5.754 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.446 1.208 -6.246 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.228 3.216 -6.244 1.00 0.00 O ATOM 0 H GLU A 95 -16.443 3.446 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.744 1.655 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.027 3.463 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.038 1.711 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.087 1.858 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.131 3.574 -4.047 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.337 3.242 -2.577 1.00 0.00 N ATOM 1535 CA LEU A 96 -11.852 3.430 -2.718 1.00 0.00 C ATOM 1536 C LEU A 96 -11.154 3.336 -1.340 1.00 0.00 C ATOM 1537 O LEU A 96 -11.325 4.220 -0.521 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.511 4.798 -3.364 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.552 5.891 -3.043 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -12.058 6.761 -1.884 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -12.747 6.777 -4.276 1.00 0.00 C ATOM 0 H LEU A 96 -13.719 3.508 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.490 2.633 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.531 5.124 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.441 4.676 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.493 5.416 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.799 7.530 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.907 6.140 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.116 7.234 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.482 7.551 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.798 7.243 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.100 6.169 -5.109 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.350 2.286 -1.125 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.591 2.123 0.131 1.00 0.00 C ATOM 1555 C PRO A 97 -8.398 3.073 0.105 1.00 0.00 C ATOM 1556 O PRO A 97 -7.447 2.877 -0.635 1.00 0.00 O ATOM 1557 CB PRO A 97 -9.174 0.649 0.132 1.00 0.00 C ATOM 1558 CG PRO A 97 -9.237 0.173 -1.337 1.00 0.00 C ATOM 1559 CD PRO A 97 -10.131 1.177 -2.091 1.00 0.00 C ATOM 0 HA PRO A 97 -10.154 2.361 1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -8.168 0.531 0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.841 0.058 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.240 0.138 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -9.648 -0.834 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.647 1.533 -3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.074 0.720 -2.390 1.00 0.00 H new ATOM 1567 N VAL A 98 -8.490 4.132 0.877 1.00 0.00 N ATOM 1568 CA VAL A 98 -7.417 5.178 0.896 1.00 0.00 C ATOM 1569 C VAL A 98 -6.424 4.965 2.042 1.00 0.00 C ATOM 1570 O VAL A 98 -5.312 5.467 1.987 1.00 0.00 O ATOM 1571 CB VAL A 98 -8.084 6.550 1.053 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.075 6.753 -0.091 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -8.835 6.624 2.395 1.00 0.00 C ATOM 0 H VAL A 98 -9.274 4.317 1.503 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.858 5.114 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.320 7.327 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.555 7.726 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.546 6.708 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.833 5.970 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.305 7.602 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.601 5.849 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.132 6.473 3.214 1.00 0.00 H new ATOM 1583 N HIS A 99 -6.821 4.263 3.082 1.00 0.00 N ATOM 1584 CA HIS A 99 -5.897 4.058 4.245 1.00 0.00 C ATOM 1585 C HIS A 99 -5.606 2.576 4.467 1.00 0.00 C ATOM 1586 O HIS A 99 -6.363 1.711 4.059 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.531 4.655 5.501 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.217 6.124 5.558 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -4.919 6.603 5.471 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -7.019 7.233 5.679 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -4.977 7.945 5.540 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -6.232 8.382 5.668 1.00 0.00 N ATOM 0 H HIS A 99 -7.738 3.827 3.174 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.952 4.557 4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.610 4.501 5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.149 4.154 6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.095 7.216 5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.113 8.591 5.497 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.547 9.349 5.742 1.00 0.00 H new ATOM 1600 N PHE A 100 -4.498 2.297 5.121 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.091 0.890 5.411 1.00 0.00 C ATOM 1602 C PHE A 100 -4.344 0.589 6.890 1.00 0.00 C ATOM 1603 O PHE A 100 -3.679 1.131 7.759 1.00 0.00 O ATOM 1604 CB PHE A 100 -2.600 0.728 5.105 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.277 -0.730 4.879 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.724 -1.378 3.721 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.524 -1.431 5.828 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -2.418 -2.729 3.512 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.217 -2.781 5.619 1.00 0.00 C ATOM 1610 CZ PHE A 100 -1.663 -3.430 4.461 1.00 0.00 C ATOM 0 H PHE A 100 -3.850 3.003 5.470 1.00 0.00 H new ATOM 0 HA PHE A 100 -4.668 0.201 4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.336 1.309 4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.006 1.117 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.305 -0.836 2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.180 -0.931 6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.764 -3.230 2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.636 -3.322 6.351 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.425 -4.471 4.300 1.00 0.00 H new ATOM 1620 N ALA A 101 -5.302 -0.267 7.170 1.00 0.00 N ATOM 1621 CA ALA A 101 -5.631 -0.626 8.584 1.00 0.00 C ATOM 1622 C ALA A 101 -4.546 -1.544 9.139 1.00 0.00 C ATOM 1623 O ALA A 101 -4.045 -1.333 10.232 1.00 0.00 O ATOM 1624 CB ALA A 101 -6.971 -1.358 8.623 1.00 0.00 C ATOM 0 H ALA A 101 -5.875 -0.736 6.468 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.689 0.282 9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.212 -1.620 9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.751 -0.711 8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.907 -2.266 8.023 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.192 -2.564 8.387 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.142 -3.530 8.839 1.00 0.00 C ATOM 1632 C GLY A 102 -3.010 -4.665 7.822 1.00 0.00 C ATOM 1633 O GLY A 102 -3.474 -4.557 6.699 1.00 0.00 O ATOM 0 H GLY A 102 -4.592 -2.767 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.187 -3.017 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.403 -3.934 9.817 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.369 -5.744 8.218 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.174 -6.912 7.304 1.00 0.00 C ATOM 1639 C VAL A 103 -2.646 -8.199 7.995 1.00 0.00 C ATOM 1640 O VAL A 103 -2.403 -8.400 9.174 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.684 -7.020 6.945 1.00 0.00 C ATOM 1642 CG1 VAL A 103 0.149 -7.258 8.209 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.467 -8.179 5.966 1.00 0.00 C ATOM 0 H VAL A 103 -1.969 -5.862 9.149 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.759 -6.772 6.395 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.368 -6.086 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.203 -7.333 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.008 -6.427 8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.171 -8.184 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.591 -8.250 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.794 -9.111 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.044 -8.001 5.058 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.303 -9.068 7.255 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.792 -10.362 7.831 1.00 0.00 C ATOM 1655 C GLY A 104 -4.944 -10.102 8.807 1.00 0.00 C ATOM 1656 O GLY A 104 -6.080 -10.457 8.536 1.00 0.00 O ATOM 0 H GLY A 104 -3.522 -8.932 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.125 -11.022 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.977 -10.871 8.346 1.00 0.00 H new ATOM 1660 N ILE A 105 -4.650 -9.499 9.942 1.00 0.00 N ATOM 1661 CA ILE A 105 -5.710 -9.216 10.960 1.00 0.00 C ATOM 1662 C ILE A 105 -5.915 -7.705 11.095 1.00 0.00 C ATOM 1663 O ILE A 105 -5.065 -6.919 10.711 1.00 0.00 O ATOM 1664 CB ILE A 105 -5.288 -9.795 12.314 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -4.917 -11.271 12.146 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -6.449 -9.675 13.300 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -4.320 -11.801 13.453 1.00 0.00 C ATOM 0 H ILE A 105 -3.714 -9.191 10.204 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.644 -9.678 10.639 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.427 -9.244 12.692 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.800 -11.850 11.876 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.200 -11.386 11.333 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.151 -10.086 14.264 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.717 -8.625 13.420 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.308 -10.228 12.920 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.056 -12.852 13.333 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.427 -11.229 13.703 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.052 -11.700 14.255 1.00 0.00 H new