USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 893 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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 162:sc= -0.269 (180deg=-1.28) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.616 (180deg=0.056) USER MOD Single : A 12 ASN : amide:sc= -0.403 K(o=-0.4,f=-2.3!) USER MOD Single : A 19 LYS NZ :NH3+ -101:sc= 0.454 (180deg=-0.924) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -1 (180deg=-1.79) USER MOD Single : A 29 ASN :FLIP amide:sc= -2! C(o=-5.4!,f=-2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00209 USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.275 (180deg=-0.824) USER MOD Single : A 40 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.95) USER MOD Single : A 41 TYR OH : rot -145:sc= -1.2 USER MOD Single : A 45 CYS SG : rot 11:sc= -0.197! USER MOD Single : A 47 GLN :FLIP amide:sc= -5.08! C(o=-6.7!,f=-5.1!) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= -3.25 (180deg=-3.61) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.478 F(o=-8!,f=-0.48) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -1.58! C(o=-1.6!,f=-5.3!) USER MOD Single : A 68 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 114:sc= -4.7! USER MOD Single : A 74 SER OG : rot 151:sc= -0.545 USER MOD Single : A 77 TYR OH : rot 165:sc= -0.541 USER MOD Single : A 80 HIS : no HD1:sc= -0.986 K(o=-0.99,f=-5.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -160:sc= -3.49! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= -1.42 (180deg=-3.85) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= -0.559! (180deg=-2.72!) USER MOD Single : A 95 THR OG1 : rot 157:sc= -2.96 USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= -0.669 (180deg=-0.95) USER MOD Single : A 103 THR OG1 : rot 106:sc= -0.239! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.535 USER MOD Single : A 110 ASN :FLIP amide:sc= -15.5! C(o=-20!,f=-16!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 170:sc= -0.505! (180deg=-0.694!) USER MOD Single : A 118 GLN : amide:sc= -2.67! C(o=-2.7!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.027 -8.557 86.180 1.00 0.00 N ATOM 44 CA LYS A 4 -6.998 -8.101 87.595 1.00 0.00 C ATOM 45 C LYS A 4 -6.514 -9.230 88.511 1.00 0.00 C ATOM 46 O LYS A 4 -5.621 -9.041 89.316 1.00 0.00 O ATOM 47 CB LYS A 4 -8.406 -7.695 87.997 1.00 0.00 C ATOM 48 CG LYS A 4 -8.847 -6.531 87.114 1.00 0.00 C ATOM 49 CD LYS A 4 -10.285 -6.132 87.451 1.00 0.00 C ATOM 50 CE LYS A 4 -11.271 -7.055 86.724 1.00 0.00 C ATOM 51 NZ LYS A 4 -12.667 -6.602 86.985 1.00 0.00 N ATOM 0 HA LYS A 4 -6.314 -7.258 87.692 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.090 -8.536 87.883 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.431 -7.404 89.047 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.181 -5.680 87.261 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.776 -6.814 86.064 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.445 -6.192 88.528 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.461 -5.097 87.160 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.070 -7.047 85.653 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.142 -8.082 87.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.334 -7.229 86.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.856 -6.632 88.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.787 -5.629 86.639 1.00 0.00 H new ATOM 65 N GLU A 5 -7.106 -10.388 88.413 1.00 0.00 N ATOM 66 CA GLU A 5 -6.685 -11.510 89.294 1.00 0.00 C ATOM 67 C GLU A 5 -5.277 -11.993 88.920 1.00 0.00 C ATOM 68 O GLU A 5 -4.457 -12.244 89.779 1.00 0.00 O ATOM 69 CB GLU A 5 -7.685 -12.656 89.137 1.00 0.00 C ATOM 70 CG GLU A 5 -7.265 -13.836 90.013 1.00 0.00 C ATOM 71 CD GLU A 5 -8.332 -14.930 89.931 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.471 -14.645 90.257 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.989 -16.030 89.532 1.00 0.00 O ATOM 0 H GLU A 5 -7.861 -10.604 87.762 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.663 -11.168 90.329 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.683 -12.320 89.418 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.735 -12.966 88.093 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.302 -14.225 89.682 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.139 -13.511 91.046 1.00 0.00 H new ATOM 80 N PHE A 6 -4.988 -12.138 87.657 1.00 0.00 N ATOM 81 CA PHE A 6 -3.634 -12.619 87.248 1.00 0.00 C ATOM 82 C PHE A 6 -2.588 -11.518 87.469 1.00 0.00 C ATOM 83 O PHE A 6 -1.431 -11.790 87.730 1.00 0.00 O ATOM 84 CB PHE A 6 -3.680 -13.007 85.764 1.00 0.00 C ATOM 85 CG PHE A 6 -2.287 -13.308 85.255 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.566 -14.372 85.797 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.721 -12.530 84.231 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.276 -14.659 85.327 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.431 -12.817 83.761 1.00 0.00 C ATOM 90 CZ PHE A 6 0.289 -13.884 84.309 1.00 0.00 C ATOM 0 H PHE A 6 -5.630 -11.945 86.888 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.354 -13.483 87.851 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.320 -13.879 85.629 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.119 -12.196 85.183 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.002 -14.976 86.580 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.280 -11.710 83.805 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.282 -15.480 85.752 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.006 -12.215 82.978 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.281 -14.109 83.946 1.00 0.00 H new ATOM 100 N MET A 7 -2.979 -10.282 87.364 1.00 0.00 N ATOM 101 CA MET A 7 -2.007 -9.167 87.563 1.00 0.00 C ATOM 102 C MET A 7 -1.849 -8.872 89.058 1.00 0.00 C ATOM 103 O MET A 7 -0.757 -8.905 89.602 1.00 0.00 O ATOM 104 CB MET A 7 -2.538 -7.917 86.845 1.00 0.00 C ATOM 105 CG MET A 7 -1.869 -6.645 87.389 1.00 0.00 C ATOM 106 SD MET A 7 -2.165 -5.254 86.257 1.00 0.00 S ATOM 107 CE MET A 7 -3.904 -5.578 85.857 1.00 0.00 C ATOM 0 H MET A 7 -3.933 -9.991 87.148 1.00 0.00 H new ATOM 0 HA MET A 7 -1.036 -9.449 87.155 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.351 -8.001 85.774 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.618 -7.849 86.976 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.264 -6.411 88.377 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.798 -6.809 87.505 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.355 -4.678 85.440 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.965 -6.386 85.128 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.438 -5.866 86.763 1.00 0.00 H new ATOM 117 N TRP A 8 -2.926 -8.561 89.724 1.00 0.00 N ATOM 118 CA TRP A 8 -2.834 -8.240 91.177 1.00 0.00 C ATOM 119 C TRP A 8 -2.018 -9.313 91.909 1.00 0.00 C ATOM 120 O TRP A 8 -1.690 -9.165 93.069 1.00 0.00 O ATOM 121 CB TRP A 8 -4.238 -8.162 91.789 1.00 0.00 C ATOM 122 CG TRP A 8 -4.140 -7.638 93.185 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.041 -8.407 94.293 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.134 -6.252 93.646 1.00 0.00 C ATOM 125 NE1 TRP A 8 -3.967 -7.582 95.404 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.029 -6.243 95.058 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.220 -5.011 92.983 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -3.994 -5.050 95.781 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.185 -3.812 93.710 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.084 -3.831 95.107 1.00 0.00 C ATOM 0 H TRP A 8 -3.864 -8.515 89.327 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.337 -7.276 91.287 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.874 -7.512 91.188 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.702 -9.148 91.790 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.023 -9.487 94.309 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.878 -7.921 96.362 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.314 -4.983 91.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.898 -5.070 96.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.236 -2.867 93.189 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.076 -2.904 95.662 1.00 0.00 H new ATOM 141 N ALA A 9 -1.699 -10.389 91.245 1.00 0.00 N ATOM 142 CA ALA A 9 -0.919 -11.461 91.907 1.00 0.00 C ATOM 143 C ALA A 9 0.583 -11.184 91.794 1.00 0.00 C ATOM 144 O ALA A 9 1.306 -11.277 92.766 1.00 0.00 O ATOM 145 CB ALA A 9 -1.254 -12.793 91.244 1.00 0.00 C ATOM 0 H ALA A 9 -1.947 -10.569 90.272 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.179 -11.495 92.965 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.686 -13.591 91.723 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.320 -12.994 91.349 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.996 -12.748 90.186 1.00 0.00 H new ATOM 151 N LEU A 10 1.072 -10.843 90.627 1.00 0.00 N ATOM 152 CA LEU A 10 2.536 -10.567 90.488 1.00 0.00 C ATOM 153 C LEU A 10 2.987 -9.657 91.621 1.00 0.00 C ATOM 154 O LEU A 10 4.083 -9.752 92.139 1.00 0.00 O ATOM 155 CB LEU A 10 2.819 -9.817 89.170 1.00 0.00 C ATOM 156 CG LEU A 10 2.222 -10.551 87.949 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.648 -9.535 86.942 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.323 -11.348 87.236 1.00 0.00 C ATOM 0 H LEU A 10 0.526 -10.744 89.771 1.00 0.00 H new ATOM 0 HA LEU A 10 3.064 -11.520 90.506 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.403 -8.811 89.228 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.896 -9.709 89.038 1.00 0.00 H new ATOM 0 HG LEU A 10 1.433 -11.215 88.302 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.231 -10.066 86.087 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.865 -8.949 87.423 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.442 -8.870 86.603 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.899 -11.865 86.375 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.106 -10.668 86.901 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.747 -12.079 87.925 1.00 0.00 H new ATOM 170 N LYS A 11 2.150 -8.738 91.942 1.00 0.00 N ATOM 171 CA LYS A 11 2.464 -7.728 92.977 1.00 0.00 C ATOM 172 C LYS A 11 2.023 -8.157 94.376 1.00 0.00 C ATOM 173 O LYS A 11 2.740 -7.979 95.340 1.00 0.00 O ATOM 174 CB LYS A 11 1.667 -6.499 92.606 1.00 0.00 C ATOM 175 CG LYS A 11 1.838 -5.425 93.679 1.00 0.00 C ATOM 176 CD LYS A 11 1.409 -4.061 93.126 1.00 0.00 C ATOM 177 CE LYS A 11 -0.018 -4.139 92.579 1.00 0.00 C ATOM 178 NZ LYS A 11 -0.911 -4.697 93.627 1.00 0.00 N ATOM 0 H LYS A 11 1.227 -8.635 91.519 1.00 0.00 H new ATOM 0 HA LYS A 11 3.542 -7.571 93.008 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.999 -6.117 91.641 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.613 -6.756 92.501 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.240 -5.676 94.555 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.878 -5.385 94.003 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.465 -3.308 93.912 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.093 -3.749 92.336 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.361 -3.148 92.281 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.045 -4.767 91.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.900 -4.476 93.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.788 -5.729 93.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.671 -4.277 94.548 1.00 0.00 H new ATOM 192 N ASN A 12 0.829 -8.662 94.503 1.00 0.00 N ATOM 193 CA ASN A 12 0.325 -9.033 95.855 1.00 0.00 C ATOM 194 C ASN A 12 0.988 -10.322 96.306 1.00 0.00 C ATOM 195 O ASN A 12 0.518 -11.005 97.198 1.00 0.00 O ATOM 196 CB ASN A 12 -1.197 -9.210 95.806 1.00 0.00 C ATOM 197 CG ASN A 12 -1.759 -9.286 97.229 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.149 -8.799 98.160 1.00 0.00 O ATOM 199 ND2 ASN A 12 -2.906 -9.876 97.435 1.00 0.00 N ATOM 0 H ASN A 12 0.182 -8.834 93.733 1.00 0.00 H new ATOM 0 HA ASN A 12 0.566 -8.242 96.565 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.652 -8.377 95.270 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.449 -10.117 95.257 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.290 -9.928 98.378 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.417 -10.284 96.653 1.00 0.00 H new ATOM 206 N GLY A 13 2.089 -10.642 95.715 1.00 0.00 N ATOM 207 CA GLY A 13 2.814 -11.861 96.114 1.00 0.00 C ATOM 208 C GLY A 13 1.889 -13.073 96.051 1.00 0.00 C ATOM 209 O GLY A 13 2.238 -14.140 96.519 1.00 0.00 O ATOM 0 H GLY A 13 2.523 -10.105 94.964 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.670 -12.014 95.457 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.204 -11.745 97.125 1.00 0.00 H new ATOM 213 N ASP A 14 0.724 -12.944 95.466 1.00 0.00 N ATOM 214 CA ASP A 14 -0.161 -14.126 95.375 1.00 0.00 C ATOM 215 C ASP A 14 0.470 -15.036 94.357 1.00 0.00 C ATOM 216 O ASP A 14 -0.096 -15.370 93.334 1.00 0.00 O ATOM 217 CB ASP A 14 -1.572 -13.755 94.942 1.00 0.00 C ATOM 218 CG ASP A 14 -2.074 -12.561 95.757 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.475 -12.273 96.781 1.00 0.00 O ATOM 220 OD2 ASP A 14 -3.057 -11.959 95.354 1.00 0.00 O ATOM 0 H ASP A 14 0.359 -12.084 95.057 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.259 -14.601 96.351 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.583 -13.511 93.880 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.239 -14.606 95.080 1.00 0.00 H new ATOM 225 N LEU A 15 1.669 -15.389 94.634 1.00 0.00 N ATOM 226 CA LEU A 15 2.445 -16.237 93.726 1.00 0.00 C ATOM 227 C LEU A 15 1.626 -17.472 93.346 1.00 0.00 C ATOM 228 O LEU A 15 1.782 -18.040 92.286 1.00 0.00 O ATOM 229 CB LEU A 15 3.730 -16.615 94.463 1.00 0.00 C ATOM 230 CG LEU A 15 4.622 -17.539 93.625 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.103 -18.997 93.632 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.719 -17.001 92.190 1.00 0.00 C ATOM 0 H LEU A 15 2.163 -15.116 95.483 1.00 0.00 H new ATOM 0 HA LEU A 15 2.689 -15.720 92.798 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.282 -15.710 94.716 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.478 -17.108 95.402 1.00 0.00 H new ATOM 0 HG LEU A 15 5.616 -17.552 94.072 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.762 -19.621 93.027 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.086 -19.372 94.655 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.095 -19.026 93.218 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.353 -17.659 91.597 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.723 -16.961 91.748 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.149 -16.000 92.205 1.00 0.00 H new ATOM 244 N ASP A 16 0.749 -17.880 94.198 1.00 0.00 N ATOM 245 CA ASP A 16 -0.085 -19.058 93.896 1.00 0.00 C ATOM 246 C ASP A 16 -1.023 -18.743 92.717 1.00 0.00 C ATOM 247 O ASP A 16 -1.397 -19.613 91.956 1.00 0.00 O ATOM 248 CB ASP A 16 -0.913 -19.388 95.133 1.00 0.00 C ATOM 249 CG ASP A 16 -0.028 -20.085 96.170 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.985 -19.513 96.536 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.380 -21.179 96.578 1.00 0.00 O ATOM 0 H ASP A 16 0.571 -17.444 95.102 1.00 0.00 H new ATOM 0 HA ASP A 16 0.546 -19.905 93.627 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.336 -18.476 95.554 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.750 -20.032 94.862 1.00 0.00 H new ATOM 256 N GLU A 17 -1.422 -17.501 92.590 1.00 0.00 N ATOM 257 CA GLU A 17 -2.365 -17.092 91.498 1.00 0.00 C ATOM 258 C GLU A 17 -1.635 -16.980 90.145 1.00 0.00 C ATOM 259 O GLU A 17 -2.112 -17.466 89.130 1.00 0.00 O ATOM 260 CB GLU A 17 -2.976 -15.731 91.868 1.00 0.00 C ATOM 261 CG GLU A 17 -4.198 -15.929 92.773 1.00 0.00 C ATOM 262 CD GLU A 17 -4.730 -14.566 93.222 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.280 -13.860 92.392 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.578 -14.243 94.393 1.00 0.00 O ATOM 0 H GLU A 17 -1.131 -16.741 93.205 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.143 -17.849 91.397 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.233 -15.117 92.377 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.267 -15.196 90.964 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.975 -16.476 92.238 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.927 -16.529 93.642 1.00 0.00 H new ATOM 271 N VAL A 18 -0.481 -16.365 90.107 1.00 0.00 N ATOM 272 CA VAL A 18 0.264 -16.255 88.805 1.00 0.00 C ATOM 273 C VAL A 18 0.667 -17.673 88.398 1.00 0.00 C ATOM 274 O VAL A 18 0.768 -18.008 87.232 1.00 0.00 O ATOM 275 CB VAL A 18 1.547 -15.407 88.997 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.363 -13.980 88.476 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.884 -15.352 90.483 1.00 0.00 C ATOM 0 H VAL A 18 -0.021 -15.936 90.910 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.360 -15.781 88.048 1.00 0.00 H new ATOM 0 HB VAL A 18 2.353 -15.874 88.431 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.283 -13.416 88.628 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.126 -14.009 87.412 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.548 -13.498 89.016 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.786 -14.757 90.630 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.057 -14.897 91.027 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.051 -16.363 90.856 1.00 0.00 H new ATOM 287 N LYS A 19 0.902 -18.493 89.375 1.00 0.00 N ATOM 288 CA LYS A 19 1.316 -19.898 89.117 1.00 0.00 C ATOM 289 C LYS A 19 0.207 -20.673 88.405 1.00 0.00 C ATOM 290 O LYS A 19 0.465 -21.578 87.640 1.00 0.00 O ATOM 291 CB LYS A 19 1.613 -20.539 90.464 1.00 0.00 C ATOM 292 CG LYS A 19 2.132 -21.970 90.288 1.00 0.00 C ATOM 293 CD LYS A 19 2.998 -22.341 91.504 1.00 0.00 C ATOM 294 CE LYS A 19 4.420 -21.773 91.346 1.00 0.00 C ATOM 295 NZ LYS A 19 5.309 -22.833 90.799 1.00 0.00 N ATOM 0 H LYS A 19 0.824 -18.247 90.362 1.00 0.00 H new ATOM 0 HA LYS A 19 2.195 -19.916 88.472 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.352 -19.943 90.999 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.709 -20.548 91.074 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.297 -22.665 90.194 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.716 -22.049 89.371 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.543 -21.951 92.415 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.043 -23.425 91.609 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.409 -20.911 90.679 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.796 -21.427 92.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.873 -23.245 91.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.731 -23.577 90.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.945 -22.420 90.087 1.00 0.00 H new ATOM 309 N ASP A 20 -1.019 -20.333 88.661 1.00 0.00 N ATOM 310 CA ASP A 20 -2.150 -21.060 88.015 1.00 0.00 C ATOM 311 C ASP A 20 -2.178 -20.771 86.521 1.00 0.00 C ATOM 312 O ASP A 20 -2.249 -21.675 85.711 1.00 0.00 O ATOM 313 CB ASP A 20 -3.471 -20.606 88.637 1.00 0.00 C ATOM 314 CG ASP A 20 -4.632 -21.432 88.066 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.416 -22.591 87.748 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.721 -20.888 87.957 1.00 0.00 O ATOM 0 H ASP A 20 -1.293 -19.580 89.292 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.014 -22.130 88.171 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.431 -20.721 89.720 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.633 -19.547 88.434 1.00 0.00 H new ATOM 321 N TYR A 21 -2.136 -19.531 86.141 1.00 0.00 N ATOM 322 CA TYR A 21 -2.175 -19.222 84.686 1.00 0.00 C ATOM 323 C TYR A 21 -0.933 -19.806 84.015 1.00 0.00 C ATOM 324 O TYR A 21 -1.010 -20.410 82.963 1.00 0.00 O ATOM 325 CB TYR A 21 -2.221 -17.709 84.484 1.00 0.00 C ATOM 326 CG TYR A 21 -3.580 -17.209 84.915 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.817 -16.940 86.262 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.601 -17.032 83.973 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.072 -16.486 86.678 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.862 -16.580 84.392 1.00 0.00 C ATOM 331 CZ TYR A 21 -6.095 -16.307 85.742 1.00 0.00 C ATOM 332 OH TYR A 21 -7.333 -15.846 86.150 1.00 0.00 O ATOM 0 H TYR A 21 -2.077 -18.725 86.763 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.066 -19.663 84.239 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.437 -17.225 85.067 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.040 -17.461 83.438 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.029 -17.083 86.986 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.419 -17.242 82.929 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.251 -16.274 87.722 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.653 -16.443 83.670 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.928 -15.777 85.375 1.00 0.00 H new ATOM 342 N VAL A 22 0.209 -19.628 84.624 1.00 0.00 N ATOM 343 CA VAL A 22 1.473 -20.164 84.049 1.00 0.00 C ATOM 344 C VAL A 22 1.490 -21.690 84.160 1.00 0.00 C ATOM 345 O VAL A 22 2.151 -22.367 83.397 1.00 0.00 O ATOM 346 CB VAL A 22 2.653 -19.570 84.809 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.957 -20.264 84.398 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.727 -18.071 84.500 1.00 0.00 C ATOM 0 H VAL A 22 0.319 -19.128 85.506 1.00 0.00 H new ATOM 0 HA VAL A 22 1.543 -19.892 82.996 1.00 0.00 H new ATOM 0 HB VAL A 22 2.515 -19.720 85.880 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.790 -19.829 84.949 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.889 -21.328 84.623 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.120 -20.129 83.329 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.567 -17.630 85.037 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.865 -17.927 83.428 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.802 -17.588 84.815 1.00 0.00 H new ATOM 358 N ALA A 23 0.751 -22.248 85.078 1.00 0.00 N ATOM 359 CA ALA A 23 0.732 -23.726 85.178 1.00 0.00 C ATOM 360 C ALA A 23 0.225 -24.231 83.845 1.00 0.00 C ATOM 361 O ALA A 23 0.434 -25.362 83.453 1.00 0.00 O ATOM 362 CB ALA A 23 -0.230 -24.158 86.280 1.00 0.00 C ATOM 0 H ALA A 23 0.169 -21.750 85.752 1.00 0.00 H new ATOM 0 HA ALA A 23 1.721 -24.121 85.413 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.240 -25.246 86.349 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.094 -23.737 87.232 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.233 -23.800 86.048 1.00 0.00 H new ATOM 368 N LYS A 24 -0.441 -23.365 83.145 1.00 0.00 N ATOM 369 CA LYS A 24 -0.990 -23.715 81.827 1.00 0.00 C ATOM 370 C LYS A 24 0.106 -24.244 80.917 1.00 0.00 C ATOM 371 O LYS A 24 0.276 -25.438 80.771 1.00 0.00 O ATOM 372 CB LYS A 24 -1.594 -22.471 81.220 1.00 0.00 C ATOM 373 CG LYS A 24 -2.266 -22.863 79.914 1.00 0.00 C ATOM 374 CD LYS A 24 -3.137 -21.731 79.399 1.00 0.00 C ATOM 375 CE LYS A 24 -4.267 -21.434 80.389 1.00 0.00 C ATOM 376 NZ LYS A 24 -4.680 -22.696 81.067 1.00 0.00 N ATOM 0 H LYS A 24 -0.629 -22.408 83.444 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.746 -24.492 81.940 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.318 -22.027 81.903 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.823 -21.721 81.042 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.509 -23.114 79.171 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.873 -23.756 80.065 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.532 -20.837 79.249 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.556 -21.998 78.429 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.935 -20.704 81.127 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.117 -20.995 79.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.619 -22.568 81.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.719 -23.467 80.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.990 -22.934 81.808 1.00 0.00 H new ATOM 390 N GLY A 25 0.851 -23.374 80.294 1.00 0.00 N ATOM 391 CA GLY A 25 1.923 -23.859 79.387 1.00 0.00 C ATOM 392 C GLY A 25 2.876 -22.725 78.975 1.00 0.00 C ATOM 393 O GLY A 25 2.580 -21.935 78.093 1.00 0.00 O ATOM 0 H GLY A 25 0.765 -22.361 80.373 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.489 -24.648 79.882 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.475 -24.299 78.496 1.00 0.00 H new ATOM 397 N GLU A 26 4.023 -22.667 79.614 1.00 0.00 N ATOM 398 CA GLU A 26 5.061 -21.622 79.309 1.00 0.00 C ATOM 399 C GLU A 26 4.421 -20.331 78.786 1.00 0.00 C ATOM 400 O GLU A 26 4.738 -19.863 77.709 1.00 0.00 O ATOM 401 CB GLU A 26 6.109 -22.141 78.301 1.00 0.00 C ATOM 402 CG GLU A 26 5.459 -22.998 77.207 1.00 0.00 C ATOM 403 CD GLU A 26 4.674 -22.105 76.251 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.234 -21.114 75.806 1.00 0.00 O ATOM 405 OE2 GLU A 26 3.534 -22.427 75.971 1.00 0.00 O ATOM 0 H GLU A 26 4.291 -23.317 80.353 1.00 0.00 H new ATOM 0 HA GLU A 26 5.569 -21.398 80.247 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.626 -21.297 77.845 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.861 -22.729 78.827 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.225 -23.548 76.660 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.796 -23.737 77.657 1.00 0.00 H new ATOM 412 N ASP A 27 3.545 -19.742 79.557 1.00 0.00 N ATOM 413 CA ASP A 27 2.899 -18.460 79.139 1.00 0.00 C ATOM 414 C ASP A 27 3.427 -17.344 80.045 1.00 0.00 C ATOM 415 O ASP A 27 2.677 -16.517 80.528 1.00 0.00 O ATOM 416 CB ASP A 27 1.380 -18.567 79.308 1.00 0.00 C ATOM 417 CG ASP A 27 0.791 -19.403 78.174 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.041 -19.066 77.029 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.089 -20.359 78.466 1.00 0.00 O ATOM 0 H ASP A 27 3.246 -20.096 80.466 1.00 0.00 H new ATOM 0 HA ASP A 27 3.127 -18.249 78.094 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.143 -19.023 80.269 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.934 -17.572 79.308 1.00 0.00 H new ATOM 424 N VAL A 28 4.716 -17.332 80.293 1.00 0.00 N ATOM 425 CA VAL A 28 5.310 -16.289 81.184 1.00 0.00 C ATOM 426 C VAL A 28 5.862 -15.133 80.345 1.00 0.00 C ATOM 427 O VAL A 28 7.052 -14.884 80.275 1.00 0.00 O ATOM 428 CB VAL A 28 6.404 -16.929 82.032 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.737 -17.935 82.982 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.422 -17.657 81.140 1.00 0.00 C ATOM 0 H VAL A 28 5.383 -18.004 79.914 1.00 0.00 H new ATOM 0 HA VAL A 28 4.545 -15.881 81.845 1.00 0.00 H new ATOM 0 HB VAL A 28 6.935 -16.160 82.594 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.498 -18.409 83.602 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.022 -17.415 83.619 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.218 -18.696 82.400 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.195 -18.107 81.763 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.915 -18.436 80.571 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.879 -16.945 80.453 1.00 0.00 H new ATOM 440 N ASN A 29 4.976 -14.428 79.700 1.00 0.00 N ATOM 441 CA ASN A 29 5.353 -13.283 78.841 1.00 0.00 C ATOM 442 C ASN A 29 4.054 -12.653 78.335 1.00 0.00 C ATOM 443 O ASN A 29 3.881 -12.409 77.158 1.00 0.00 O ATOM 444 CB ASN A 29 6.175 -13.789 77.651 1.00 0.00 C ATOM 445 CG ASN A 29 5.662 -15.165 77.226 1.00 0.00 C ATOM 446 OD1 ASN A 29 5.985 -16.216 77.923 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 4.949 -15.279 76.247 1.00 0.00 N flip ATOM 0 H ASN A 29 3.973 -14.609 79.738 1.00 0.00 H new ATOM 0 HA ASN A 29 5.948 -12.557 79.394 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.100 -13.088 76.819 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.229 -13.850 77.923 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.696 -14.455 75.701 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.604 -16.199 75.972 1.00 0.00 H new ATOM 454 N ARG A 30 3.119 -12.429 79.229 1.00 0.00 N ATOM 455 CA ARG A 30 1.802 -11.853 78.829 1.00 0.00 C ATOM 456 C ARG A 30 1.735 -10.368 79.182 1.00 0.00 C ATOM 457 O ARG A 30 1.692 -9.993 80.337 1.00 0.00 O ATOM 458 CB ARG A 30 0.685 -12.576 79.585 1.00 0.00 C ATOM 459 CG ARG A 30 0.517 -13.997 79.042 1.00 0.00 C ATOM 460 CD ARG A 30 -0.495 -14.760 79.904 1.00 0.00 C ATOM 461 NE ARG A 30 -0.984 -15.952 79.158 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.658 -16.876 79.782 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.890 -16.750 81.057 1.00 0.00 N ATOM 464 NH2 ARG A 30 -2.101 -17.915 79.125 1.00 0.00 N ATOM 0 H ARG A 30 3.216 -12.623 80.226 1.00 0.00 H new ATOM 0 HA ARG A 30 1.684 -11.976 77.752 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.918 -12.610 80.649 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.250 -12.026 79.481 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.177 -13.964 78.007 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.476 -14.514 79.046 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.031 -15.069 80.841 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.332 -14.111 80.162 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.792 -16.045 78.161 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.545 -15.932 81.560 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.417 -17.469 81.553 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.919 -18.002 78.125 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.629 -18.639 79.612 1.00 0.00 H new ATOM 478 N THR A 31 1.677 -9.520 78.197 1.00 0.00 N ATOM 479 CA THR A 31 1.558 -8.066 78.481 1.00 0.00 C ATOM 480 C THR A 31 0.249 -7.867 79.233 1.00 0.00 C ATOM 481 O THR A 31 -0.773 -7.566 78.645 1.00 0.00 O ATOM 482 CB THR A 31 1.529 -7.290 77.159 1.00 0.00 C ATOM 483 OG1 THR A 31 2.541 -7.796 76.293 1.00 0.00 O ATOM 484 CG2 THR A 31 1.779 -5.804 77.408 1.00 0.00 C ATOM 0 H THR A 31 1.707 -9.770 77.209 1.00 0.00 H new ATOM 0 HA THR A 31 2.401 -7.706 79.071 1.00 0.00 H new ATOM 0 HB THR A 31 0.548 -7.413 76.700 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.524 -7.303 75.446 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.755 -5.267 76.460 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.005 -5.410 78.067 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.755 -5.673 77.875 1.00 0.00 H new ATOM 492 N LEU A 32 0.250 -8.072 80.518 1.00 0.00 N ATOM 493 CA LEU A 32 -1.023 -7.932 81.270 1.00 0.00 C ATOM 494 C LEU A 32 -1.397 -6.456 81.459 1.00 0.00 C ATOM 495 O LEU A 32 -2.559 -6.126 81.548 1.00 0.00 O ATOM 496 CB LEU A 32 -0.945 -8.683 82.622 1.00 0.00 C ATOM 497 CG LEU A 32 0.084 -8.082 83.621 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.477 -7.894 82.987 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.421 -6.749 84.194 1.00 0.00 C ATOM 0 H LEU A 32 1.066 -8.327 81.074 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.819 -8.391 80.683 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.931 -8.679 83.086 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.686 -9.725 82.433 1.00 0.00 H new ATOM 0 HG LEU A 32 0.188 -8.802 84.433 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.159 -7.472 83.725 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.857 -8.859 82.652 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.401 -7.218 82.135 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.317 -6.349 84.890 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.576 -6.039 83.382 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.363 -6.912 84.718 1.00 0.00 H new ATOM 511 N GLU A 33 -0.444 -5.557 81.483 1.00 0.00 N ATOM 512 CA GLU A 33 -0.805 -4.110 81.626 1.00 0.00 C ATOM 513 C GLU A 33 -1.171 -3.541 80.249 1.00 0.00 C ATOM 514 O GLU A 33 -2.329 -3.323 79.943 1.00 0.00 O ATOM 515 CB GLU A 33 0.375 -3.319 82.226 1.00 0.00 C ATOM 516 CG GLU A 33 0.063 -1.813 82.192 1.00 0.00 C ATOM 517 CD GLU A 33 0.981 -1.063 83.172 1.00 0.00 C ATOM 518 OE1 GLU A 33 2.157 -0.948 82.880 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.482 -0.611 84.189 1.00 0.00 O ATOM 0 H GLU A 33 0.554 -5.756 81.411 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.659 -4.019 82.298 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.555 -3.639 83.252 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.286 -3.524 81.663 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.203 -1.427 81.182 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.981 -1.643 82.456 1.00 0.00 H new ATOM 526 N GLY A 34 -0.199 -3.301 79.410 1.00 0.00 N ATOM 527 CA GLY A 34 -0.493 -2.752 78.053 1.00 0.00 C ATOM 528 C GLY A 34 0.755 -2.824 77.173 1.00 0.00 C ATOM 529 O GLY A 34 0.680 -2.811 75.963 1.00 0.00 O ATOM 0 H GLY A 34 0.789 -3.462 79.606 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.305 -3.316 77.593 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.829 -1.719 78.136 1.00 0.00 H new ATOM 533 N GLY A 35 1.901 -2.903 77.775 1.00 0.00 N ATOM 534 CA GLY A 35 3.160 -2.978 76.993 1.00 0.00 C ATOM 535 C GLY A 35 4.287 -3.432 77.922 1.00 0.00 C ATOM 536 O GLY A 35 5.443 -3.102 77.721 1.00 0.00 O ATOM 0 H GLY A 35 2.022 -2.919 78.788 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.049 -3.677 76.164 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.395 -2.005 76.561 1.00 0.00 H new ATOM 540 N ARG A 36 3.948 -4.182 78.943 1.00 0.00 N ATOM 541 CA ARG A 36 4.979 -4.668 79.913 1.00 0.00 C ATOM 542 C ARG A 36 5.011 -6.199 79.921 1.00 0.00 C ATOM 543 O ARG A 36 4.536 -6.850 79.009 1.00 0.00 O ATOM 544 CB ARG A 36 4.636 -4.163 81.318 1.00 0.00 C ATOM 545 CG ARG A 36 4.197 -2.692 81.244 1.00 0.00 C ATOM 546 CD ARG A 36 5.347 -1.825 80.700 1.00 0.00 C ATOM 547 NE ARG A 36 5.365 -0.501 81.404 1.00 0.00 N ATOM 548 CZ ARG A 36 4.288 0.239 81.480 1.00 0.00 C ATOM 549 NH1 ARG A 36 3.207 -0.115 80.834 1.00 0.00 N ATOM 550 NH2 ARG A 36 4.301 1.355 82.166 1.00 0.00 N ATOM 0 H ARG A 36 2.994 -4.480 79.147 1.00 0.00 H new ATOM 0 HA ARG A 36 5.956 -4.290 79.613 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.839 -4.770 81.749 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.502 -4.262 81.973 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.323 -2.597 80.600 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.903 -2.342 82.233 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.299 -2.336 80.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.225 -1.675 79.627 1.00 0.00 H new ATOM 0 HE ARG A 36 6.231 -0.172 81.831 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.204 -0.966 80.272 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.367 0.460 80.892 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.153 1.650 82.643 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.460 1.929 82.223 1.00 0.00 H new ATOM 564 N LYS A 37 5.582 -6.772 80.950 1.00 0.00 N ATOM 565 CA LYS A 37 5.680 -8.264 81.056 1.00 0.00 C ATOM 566 C LYS A 37 5.373 -8.672 82.518 1.00 0.00 C ATOM 567 O LYS A 37 5.133 -7.810 83.333 1.00 0.00 O ATOM 568 CB LYS A 37 7.099 -8.685 80.623 1.00 0.00 C ATOM 569 CG LYS A 37 8.111 -8.611 81.784 1.00 0.00 C ATOM 570 CD LYS A 37 8.152 -7.199 82.401 1.00 0.00 C ATOM 571 CE LYS A 37 8.703 -6.182 81.396 1.00 0.00 C ATOM 572 NZ LYS A 37 9.879 -6.752 80.679 1.00 0.00 N ATOM 0 H LYS A 37 5.991 -6.263 81.734 1.00 0.00 H new ATOM 0 HA LYS A 37 4.962 -8.766 80.408 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.071 -9.702 80.233 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.434 -8.041 79.810 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.842 -9.338 82.551 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.103 -8.881 81.422 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.150 -6.904 82.712 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.774 -7.206 83.296 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.927 -5.911 80.680 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.992 -5.268 81.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.460 -5.979 80.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.448 -7.318 81.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.551 -7.357 79.899 1.00 0.00 H new ATOM 586 N PRO A 38 5.355 -9.952 82.832 1.00 0.00 N ATOM 587 CA PRO A 38 5.045 -10.377 84.213 1.00 0.00 C ATOM 588 C PRO A 38 6.320 -10.415 85.101 1.00 0.00 C ATOM 589 O PRO A 38 6.400 -11.198 86.023 1.00 0.00 O ATOM 590 CB PRO A 38 4.504 -11.809 84.017 1.00 0.00 C ATOM 591 CG PRO A 38 4.907 -12.267 82.580 1.00 0.00 C ATOM 592 CD PRO A 38 5.590 -11.062 81.892 1.00 0.00 C ATOM 0 HA PRO A 38 4.352 -9.700 84.713 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.921 -12.483 84.766 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.421 -11.830 84.137 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.584 -13.120 82.624 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.029 -12.585 82.017 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.654 -11.238 81.737 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.155 -10.859 80.914 1.00 0.00 H new ATOM 600 N LEU A 39 7.303 -9.570 84.856 1.00 0.00 N ATOM 601 CA LEU A 39 8.545 -9.584 85.704 1.00 0.00 C ATOM 602 C LEU A 39 8.771 -8.190 86.301 1.00 0.00 C ATOM 603 O LEU A 39 9.454 -8.028 87.287 1.00 0.00 O ATOM 604 CB LEU A 39 9.724 -9.949 84.793 1.00 0.00 C ATOM 605 CG LEU A 39 11.039 -10.194 85.563 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.828 -10.841 86.939 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.918 -11.138 84.727 1.00 0.00 C ATOM 0 H LEU A 39 7.298 -8.875 84.109 1.00 0.00 H new ATOM 0 HA LEU A 39 8.450 -10.304 86.517 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.472 -10.845 84.225 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.878 -9.147 84.071 1.00 0.00 H new ATOM 0 HG LEU A 39 11.502 -9.221 85.725 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.793 -10.985 87.425 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.205 -10.192 87.554 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.336 -11.806 86.816 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.854 -11.325 85.253 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.394 -12.081 84.572 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.130 -10.678 83.762 1.00 0.00 H new ATOM 619 N HIS A 40 8.196 -7.182 85.700 1.00 0.00 N ATOM 620 CA HIS A 40 8.387 -5.802 86.229 1.00 0.00 C ATOM 621 C HIS A 40 7.660 -5.678 87.571 1.00 0.00 C ATOM 622 O HIS A 40 8.208 -5.181 88.540 1.00 0.00 O ATOM 623 CB HIS A 40 7.810 -4.782 85.236 1.00 0.00 C ATOM 624 CG HIS A 40 7.921 -3.412 85.825 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.122 -2.728 85.889 1.00 0.00 N ATOM 626 CD2 HIS A 40 6.990 -2.588 86.399 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.883 -1.548 86.484 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.600 -1.412 86.820 1.00 0.00 N ATOM 0 H HIS A 40 7.606 -7.254 84.871 1.00 0.00 H new ATOM 0 HA HIS A 40 9.450 -5.605 86.365 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.350 -4.830 84.290 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.767 -5.015 85.020 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.940 -2.817 86.508 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.639 -0.799 86.668 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.161 -0.617 87.285 1.00 0.00 H new ATOM 636 N TYR A 41 6.446 -6.138 87.648 1.00 0.00 N ATOM 637 CA TYR A 41 5.696 -6.071 88.934 1.00 0.00 C ATOM 638 C TYR A 41 6.289 -7.088 89.900 1.00 0.00 C ATOM 639 O TYR A 41 6.421 -6.840 91.085 1.00 0.00 O ATOM 640 CB TYR A 41 4.233 -6.409 88.672 1.00 0.00 C ATOM 641 CG TYR A 41 3.799 -5.702 87.424 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.066 -6.286 86.190 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.162 -4.459 87.492 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.696 -5.632 85.017 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.781 -3.800 86.321 1.00 0.00 C ATOM 646 CZ TYR A 41 3.056 -4.388 85.076 1.00 0.00 C ATOM 647 OH TYR A 41 2.698 -3.746 83.901 1.00 0.00 O ATOM 0 H TYR A 41 5.936 -6.560 86.872 1.00 0.00 H new ATOM 0 HA TYR A 41 5.768 -5.071 89.362 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.107 -7.486 88.561 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.616 -6.101 89.516 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.560 -7.245 86.141 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.964 -4.007 88.453 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.903 -6.086 84.059 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.279 -2.845 86.373 1.00 0.00 H new ATOM 0 HH TYR A 41 2.797 -2.778 84.014 1.00 0.00 H new ATOM 657 N ALA A 42 6.671 -8.231 89.396 1.00 0.00 N ATOM 658 CA ALA A 42 7.273 -9.251 90.275 1.00 0.00 C ATOM 659 C ALA A 42 8.566 -8.655 90.816 1.00 0.00 C ATOM 660 O ALA A 42 8.732 -8.448 91.995 1.00 0.00 O ATOM 661 CB ALA A 42 7.553 -10.511 89.441 1.00 0.00 C ATOM 0 H ALA A 42 6.589 -8.494 88.414 1.00 0.00 H new ATOM 0 HA ALA A 42 6.617 -9.528 91.100 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.999 -11.276 90.076 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.619 -10.886 89.023 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.240 -10.266 88.631 1.00 0.00 H new ATOM 667 N ALA A 43 9.453 -8.335 89.939 1.00 0.00 N ATOM 668 CA ALA A 43 10.732 -7.701 90.336 1.00 0.00 C ATOM 669 C ALA A 43 10.482 -6.535 91.314 1.00 0.00 C ATOM 670 O ALA A 43 10.900 -6.563 92.452 1.00 0.00 O ATOM 671 CB ALA A 43 11.374 -7.145 89.063 1.00 0.00 C ATOM 0 H ALA A 43 9.348 -8.488 88.936 1.00 0.00 H new ATOM 0 HA ALA A 43 11.373 -8.432 90.829 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.322 -6.668 89.312 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.551 -7.959 88.360 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.707 -6.412 88.609 1.00 0.00 H new ATOM 677 N ASP A 44 9.826 -5.506 90.853 1.00 0.00 N ATOM 678 CA ASP A 44 9.569 -4.308 91.699 1.00 0.00 C ATOM 679 C ASP A 44 8.799 -4.650 92.989 1.00 0.00 C ATOM 680 O ASP A 44 8.969 -3.980 93.993 1.00 0.00 O ATOM 681 CB ASP A 44 8.769 -3.297 90.870 1.00 0.00 C ATOM 682 CG ASP A 44 9.660 -2.716 89.761 1.00 0.00 C ATOM 683 OD1 ASP A 44 10.423 -1.807 90.050 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.568 -3.196 88.642 1.00 0.00 O ATOM 0 H ASP A 44 9.450 -5.445 89.907 1.00 0.00 H new ATOM 0 HA ASP A 44 10.529 -3.893 92.006 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.896 -3.781 90.432 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.401 -2.496 91.511 1.00 0.00 H new ATOM 689 N CYS A 45 7.957 -5.645 92.991 1.00 0.00 N ATOM 690 CA CYS A 45 7.186 -5.954 94.239 1.00 0.00 C ATOM 691 C CYS A 45 6.649 -7.379 94.177 1.00 0.00 C ATOM 692 O CYS A 45 5.461 -7.602 94.262 1.00 0.00 O ATOM 693 CB CYS A 45 5.986 -5.007 94.327 1.00 0.00 C ATOM 694 SG CYS A 45 6.524 -3.347 94.801 1.00 0.00 S ATOM 0 H CYS A 45 7.767 -6.254 92.195 1.00 0.00 H new ATOM 0 HA CYS A 45 7.843 -5.837 95.101 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.474 -4.969 93.366 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.269 -5.385 95.056 1.00 0.00 H new ATOM 0 HG CYS A 45 7.820 -3.275 94.732 1.00 0.00 H new ATOM 700 N GLY A 46 7.510 -8.339 94.018 1.00 0.00 N ATOM 701 CA GLY A 46 7.053 -9.761 93.926 1.00 0.00 C ATOM 702 C GLY A 46 7.491 -10.550 95.161 1.00 0.00 C ATOM 703 O GLY A 46 7.700 -11.745 95.088 1.00 0.00 O ATOM 0 H GLY A 46 8.519 -8.205 93.947 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.967 -9.794 93.833 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.464 -10.223 93.028 1.00 0.00 H new ATOM 707 N GLN A 47 7.647 -9.906 96.287 1.00 0.00 N ATOM 708 CA GLN A 47 8.088 -10.659 97.502 1.00 0.00 C ATOM 709 C GLN A 47 9.362 -11.434 97.129 1.00 0.00 C ATOM 710 O GLN A 47 9.832 -12.308 97.831 1.00 0.00 O ATOM 711 CB GLN A 47 6.970 -11.610 97.937 1.00 0.00 C ATOM 712 CG GLN A 47 5.825 -10.825 98.591 1.00 0.00 C ATOM 713 CD GLN A 47 5.548 -9.533 97.807 1.00 0.00 C ATOM 714 OE1 GLN A 47 4.568 -9.494 96.940 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.228 -8.545 97.991 1.00 0.00 N flip ATOM 0 H GLN A 47 7.492 -8.907 96.420 1.00 0.00 H new ATOM 0 HA GLN A 47 8.300 -9.988 98.334 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.596 -12.160 97.074 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.362 -12.346 98.639 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.925 -11.439 98.622 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.083 -10.584 99.622 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.993 -8.571 98.666 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.035 -7.689 97.471 1.00 0.00 H new ATOM 724 N LEU A 48 9.912 -11.062 96.005 1.00 0.00 N ATOM 725 CA LEU A 48 11.169 -11.658 95.468 1.00 0.00 C ATOM 726 C LEU A 48 11.044 -13.175 95.238 1.00 0.00 C ATOM 727 O LEU A 48 12.009 -13.853 94.942 1.00 0.00 O ATOM 728 CB LEU A 48 12.329 -11.359 96.397 1.00 0.00 C ATOM 729 CG LEU A 48 12.648 -9.830 96.476 1.00 0.00 C ATOM 730 CD1 LEU A 48 11.989 -8.982 95.356 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.204 -9.281 97.833 1.00 0.00 C ATOM 0 H LEU A 48 9.520 -10.333 95.409 1.00 0.00 H new ATOM 0 HA LEU A 48 11.356 -11.200 94.497 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.098 -11.732 97.395 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.214 -11.895 96.054 1.00 0.00 H new ATOM 0 HG LEU A 48 13.726 -9.745 96.341 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.261 -7.934 95.485 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.337 -9.330 94.383 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.905 -9.085 95.412 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.428 -8.215 97.885 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.131 -9.433 97.954 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.736 -9.803 98.628 1.00 0.00 H new ATOM 743 N GLU A 49 9.863 -13.686 95.323 1.00 0.00 N ATOM 744 CA GLU A 49 9.629 -15.134 95.057 1.00 0.00 C ATOM 745 C GLU A 49 9.003 -15.245 93.683 1.00 0.00 C ATOM 746 O GLU A 49 9.264 -16.157 92.920 1.00 0.00 O ATOM 747 CB GLU A 49 8.664 -15.720 96.093 1.00 0.00 C ATOM 748 CG GLU A 49 7.667 -14.644 96.527 1.00 0.00 C ATOM 749 CD GLU A 49 6.638 -15.251 97.494 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.240 -16.382 97.274 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.255 -14.565 98.433 1.00 0.00 O ATOM 0 H GLU A 49 9.026 -13.158 95.570 1.00 0.00 H new ATOM 0 HA GLU A 49 10.570 -15.681 95.113 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.134 -16.573 95.670 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.219 -16.086 96.957 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.193 -13.821 97.010 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.161 -14.230 95.655 1.00 0.00 H new ATOM 758 N ILE A 50 8.152 -14.309 93.381 1.00 0.00 N ATOM 759 CA ILE A 50 7.455 -14.311 92.082 1.00 0.00 C ATOM 760 C ILE A 50 8.455 -14.171 90.948 1.00 0.00 C ATOM 761 O ILE A 50 8.368 -14.865 89.955 1.00 0.00 O ATOM 762 CB ILE A 50 6.448 -13.141 92.059 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.505 -13.225 93.317 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.674 -13.158 90.734 1.00 0.00 C ATOM 765 CD1 ILE A 50 3.986 -13.168 92.988 1.00 0.00 C ATOM 0 H ILE A 50 7.910 -13.531 93.995 1.00 0.00 H new ATOM 0 HA ILE A 50 6.924 -15.254 91.950 1.00 0.00 H new ATOM 0 HB ILE A 50 6.971 -12.187 92.116 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.714 -14.152 93.851 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.749 -12.406 93.993 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.963 -12.332 90.717 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.372 -13.053 89.903 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.137 -14.101 90.639 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.411 -13.232 93.912 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.758 -12.229 92.483 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.723 -14.003 92.338 1.00 0.00 H new ATOM 777 N LEU A 51 9.398 -13.289 91.045 1.00 0.00 N ATOM 778 CA LEU A 51 10.336 -13.155 89.906 1.00 0.00 C ATOM 779 C LEU A 51 10.985 -14.506 89.600 1.00 0.00 C ATOM 780 O LEU A 51 10.910 -14.990 88.493 1.00 0.00 O ATOM 781 CB LEU A 51 11.410 -12.049 90.104 1.00 0.00 C ATOM 782 CG LEU A 51 11.604 -11.622 91.560 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.303 -11.027 92.149 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.115 -12.825 92.361 1.00 0.00 C ATOM 0 H LEU A 51 9.560 -12.670 91.839 1.00 0.00 H new ATOM 0 HA LEU A 51 9.743 -12.833 89.050 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.362 -12.407 89.711 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.130 -11.176 89.514 1.00 0.00 H new ATOM 0 HG LEU A 51 12.347 -10.826 91.617 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.474 -10.733 93.185 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.007 -10.154 91.568 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.511 -11.775 92.110 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.258 -12.535 93.402 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.387 -13.634 92.307 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.064 -13.163 91.945 1.00 0.00 H new ATOM 796 N GLU A 52 11.617 -15.132 90.547 1.00 0.00 N ATOM 797 CA GLU A 52 12.255 -16.447 90.257 1.00 0.00 C ATOM 798 C GLU A 52 11.247 -17.385 89.567 1.00 0.00 C ATOM 799 O GLU A 52 11.619 -18.274 88.830 1.00 0.00 O ATOM 800 CB GLU A 52 12.734 -17.084 91.576 1.00 0.00 C ATOM 801 CG GLU A 52 14.243 -16.846 91.773 1.00 0.00 C ATOM 802 CD GLU A 52 15.065 -17.874 90.984 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.644 -18.243 89.903 1.00 0.00 O ATOM 804 OE2 GLU A 52 16.118 -18.257 91.475 1.00 0.00 O ATOM 0 H GLU A 52 11.721 -14.796 91.504 1.00 0.00 H new ATOM 0 HA GLU A 52 13.106 -16.293 89.593 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.180 -16.660 92.414 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.527 -18.154 91.566 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.502 -15.839 91.447 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.491 -16.912 92.832 1.00 0.00 H new ATOM 811 N PHE A 53 9.975 -17.214 89.829 1.00 0.00 N ATOM 812 CA PHE A 53 8.954 -18.120 89.219 1.00 0.00 C ATOM 813 C PHE A 53 8.820 -17.920 87.705 1.00 0.00 C ATOM 814 O PHE A 53 9.398 -18.636 86.911 1.00 0.00 O ATOM 815 CB PHE A 53 7.586 -17.877 89.852 1.00 0.00 C ATOM 816 CG PHE A 53 6.558 -18.736 89.150 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.680 -20.131 89.160 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.483 -18.135 88.484 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.733 -20.923 88.504 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.536 -18.926 87.832 1.00 0.00 C ATOM 821 CZ PHE A 53 4.661 -20.318 87.840 1.00 0.00 C ATOM 0 H PHE A 53 9.600 -16.487 90.438 1.00 0.00 H new ATOM 0 HA PHE A 53 9.296 -19.138 89.407 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.615 -18.118 90.915 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.315 -16.824 89.771 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.507 -20.596 89.676 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.387 -17.059 88.475 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.829 -21.999 88.510 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.706 -18.462 87.321 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.928 -20.928 87.332 1.00 0.00 H new ATOM 831 N LEU A 54 8.012 -16.993 87.293 1.00 0.00 N ATOM 832 CA LEU A 54 7.782 -16.798 85.836 1.00 0.00 C ATOM 833 C LEU A 54 9.116 -16.644 85.087 1.00 0.00 C ATOM 834 O LEU A 54 9.167 -16.663 83.875 1.00 0.00 O ATOM 835 CB LEU A 54 6.826 -15.604 85.663 1.00 0.00 C ATOM 836 CG LEU A 54 7.514 -14.248 85.834 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.306 -14.246 87.117 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.435 -13.906 84.655 1.00 0.00 C ATOM 0 H LEU A 54 7.497 -16.357 87.902 1.00 0.00 H new ATOM 0 HA LEU A 54 7.310 -17.673 85.390 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.372 -15.651 84.673 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.017 -15.687 86.389 1.00 0.00 H new ATOM 0 HG LEU A 54 6.736 -13.486 85.867 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.797 -13.281 87.240 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.636 -14.422 87.958 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.059 -15.034 87.081 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.899 -12.934 84.825 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.210 -14.667 84.566 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.851 -13.873 83.735 1.00 0.00 H new ATOM 850 N LEU A 55 10.203 -16.550 85.801 1.00 0.00 N ATOM 851 CA LEU A 55 11.542 -16.439 85.143 1.00 0.00 C ATOM 852 C LEU A 55 12.174 -17.831 84.984 1.00 0.00 C ATOM 853 O LEU A 55 12.749 -18.146 83.960 1.00 0.00 O ATOM 854 CB LEU A 55 12.422 -15.549 86.022 1.00 0.00 C ATOM 855 CG LEU A 55 13.531 -14.906 85.198 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.279 -13.908 86.086 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.493 -15.984 84.674 1.00 0.00 C ATOM 0 H LEU A 55 10.225 -16.545 86.821 1.00 0.00 H new ATOM 0 HA LEU A 55 11.442 -16.005 84.148 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.813 -14.775 86.489 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.857 -16.141 86.827 1.00 0.00 H new ATOM 0 HG LEU A 55 13.105 -14.387 84.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.077 -13.438 85.512 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.586 -13.144 86.438 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.707 -14.431 86.941 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.281 -15.514 84.087 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.936 -16.516 85.516 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.945 -16.688 84.048 1.00 0.00 H new ATOM 869 N LEU A 56 12.068 -18.678 85.973 1.00 0.00 N ATOM 870 CA LEU A 56 12.668 -20.036 85.836 1.00 0.00 C ATOM 871 C LEU A 56 11.996 -20.753 84.674 1.00 0.00 C ATOM 872 O LEU A 56 12.599 -21.561 83.997 1.00 0.00 O ATOM 873 CB LEU A 56 12.534 -20.851 87.135 1.00 0.00 C ATOM 874 CG LEU A 56 11.093 -21.375 87.329 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.886 -22.748 86.638 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.796 -21.501 88.833 1.00 0.00 C ATOM 0 H LEU A 56 11.598 -18.492 86.859 1.00 0.00 H new ATOM 0 HA LEU A 56 13.735 -19.933 85.639 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.228 -21.691 87.112 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.814 -20.230 87.986 1.00 0.00 H new ATOM 0 HG LEU A 56 10.407 -20.664 86.869 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.861 -23.084 86.796 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.075 -22.649 85.569 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.576 -23.477 87.063 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.780 -21.870 88.974 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.501 -22.198 89.286 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.896 -20.524 89.307 1.00 0.00 H new ATOM 888 N LYS A 57 10.770 -20.431 84.424 1.00 0.00 N ATOM 889 CA LYS A 57 10.066 -21.050 83.290 1.00 0.00 C ATOM 890 C LYS A 57 10.648 -20.437 82.024 1.00 0.00 C ATOM 891 O LYS A 57 11.775 -20.714 81.654 1.00 0.00 O ATOM 892 CB LYS A 57 8.580 -20.721 83.417 1.00 0.00 C ATOM 893 CG LYS A 57 7.786 -21.399 82.292 1.00 0.00 C ATOM 894 CD LYS A 57 7.453 -22.859 82.665 1.00 0.00 C ATOM 895 CE LYS A 57 6.179 -22.912 83.510 1.00 0.00 C ATOM 896 NZ LYS A 57 5.029 -22.437 82.692 1.00 0.00 N ATOM 0 H LYS A 57 10.222 -19.760 84.962 1.00 0.00 H new ATOM 0 HA LYS A 57 10.183 -22.133 83.267 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.208 -21.055 84.386 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.435 -19.642 83.374 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.865 -20.847 82.106 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.363 -21.377 81.368 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.323 -23.452 81.760 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.283 -23.299 83.218 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.999 -23.930 83.855 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.291 -22.290 84.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.139 -22.659 83.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.102 -21.409 82.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.042 -22.911 81.767 1.00 0.00 H new ATOM 910 N GLY A 58 9.934 -19.558 81.379 1.00 0.00 N ATOM 911 CA GLY A 58 10.522 -18.904 80.186 1.00 0.00 C ATOM 912 C GLY A 58 11.624 -17.996 80.713 1.00 0.00 C ATOM 913 O GLY A 58 12.475 -18.442 81.448 1.00 0.00 O ATOM 0 H GLY A 58 8.986 -19.270 81.623 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.923 -19.643 79.492 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.770 -18.332 79.643 1.00 0.00 H new ATOM 917 N ALA A 59 11.602 -16.727 80.393 1.00 0.00 N ATOM 918 CA ALA A 59 12.648 -15.818 80.944 1.00 0.00 C ATOM 919 C ALA A 59 12.624 -14.458 80.247 1.00 0.00 C ATOM 920 O ALA A 59 13.473 -14.130 79.439 1.00 0.00 O ATOM 921 CB ALA A 59 14.021 -16.456 80.804 1.00 0.00 C ATOM 0 H ALA A 59 10.914 -16.287 79.782 1.00 0.00 H new ATOM 0 HA ALA A 59 12.434 -15.658 82.001 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.777 -15.784 81.209 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.042 -17.398 81.351 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.229 -16.644 79.751 1.00 0.00 H new ATOM 927 N ASP A 60 11.673 -13.650 80.601 1.00 0.00 N ATOM 928 CA ASP A 60 11.585 -12.283 80.026 1.00 0.00 C ATOM 929 C ASP A 60 12.676 -11.437 80.691 1.00 0.00 C ATOM 930 O ASP A 60 12.779 -10.240 80.512 1.00 0.00 O ATOM 931 CB ASP A 60 10.202 -11.702 80.325 1.00 0.00 C ATOM 932 CG ASP A 60 9.995 -10.430 79.504 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.682 -9.460 79.775 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.152 -10.446 78.624 1.00 0.00 O ATOM 0 H ASP A 60 10.942 -13.880 81.274 1.00 0.00 H new ATOM 0 HA ASP A 60 11.726 -12.296 78.945 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.429 -12.432 80.085 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.111 -11.480 81.388 1.00 0.00 H new ATOM 939 N ILE A 61 13.486 -12.094 81.464 1.00 0.00 N ATOM 940 CA ILE A 61 14.603 -11.429 82.192 1.00 0.00 C ATOM 941 C ILE A 61 15.458 -10.597 81.234 1.00 0.00 C ATOM 942 O ILE A 61 16.122 -9.665 81.629 1.00 0.00 O ATOM 943 CB ILE A 61 15.464 -12.540 82.785 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.552 -11.949 83.685 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.111 -13.336 81.644 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.591 -13.031 84.015 1.00 0.00 C ATOM 0 H ILE A 61 13.420 -13.098 81.629 1.00 0.00 H new ATOM 0 HA ILE A 61 14.208 -10.763 82.959 1.00 0.00 H new ATOM 0 HB ILE A 61 14.837 -13.198 83.386 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.034 -11.108 83.186 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.109 -11.564 84.603 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.728 -14.132 82.060 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.333 -13.770 81.017 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.732 -12.672 81.044 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.365 -12.609 84.656 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.104 -13.858 84.531 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.043 -13.395 83.092 1.00 0.00 H new ATOM 958 N ASN A 62 15.456 -10.943 79.976 1.00 0.00 N ATOM 959 CA ASN A 62 16.290 -10.203 78.979 1.00 0.00 C ATOM 960 C ASN A 62 15.424 -9.771 77.787 1.00 0.00 C ATOM 961 O ASN A 62 15.610 -8.708 77.235 1.00 0.00 O ATOM 962 CB ASN A 62 17.432 -11.114 78.492 1.00 0.00 C ATOM 963 CG ASN A 62 16.861 -12.404 77.910 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.935 -13.048 78.566 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.260 -12.824 76.842 1.00 0.00 N flip ATOM 0 H ASN A 62 14.909 -11.713 79.590 1.00 0.00 H new ATOM 0 HA ASN A 62 16.710 -9.314 79.450 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.024 -10.596 77.737 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.102 -11.345 79.320 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.984 -12.317 76.333 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.871 -13.684 76.454 1.00 0.00 H new ATOM 972 N ALA A 63 14.480 -10.600 77.399 1.00 0.00 N ATOM 973 CA ALA A 63 13.557 -10.292 76.237 1.00 0.00 C ATOM 974 C ALA A 63 13.564 -8.805 75.814 1.00 0.00 C ATOM 975 O ALA A 63 13.931 -8.519 74.683 1.00 0.00 O ATOM 976 CB ALA A 63 12.112 -10.731 76.557 1.00 0.00 C ATOM 0 H ALA A 63 14.301 -11.500 77.845 1.00 0.00 H new ATOM 0 HA ALA A 63 13.945 -10.863 75.394 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.466 -10.501 75.710 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.092 -11.804 76.748 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.757 -10.199 77.439 1.00 0.00 H new ATOM 982 N PRO A 64 13.167 -7.894 76.696 1.00 0.00 N ATOM 983 CA PRO A 64 13.080 -6.451 76.415 1.00 0.00 C ATOM 984 C PRO A 64 13.762 -5.997 75.123 1.00 0.00 C ATOM 985 O PRO A 64 14.858 -6.380 74.787 1.00 0.00 O ATOM 986 CB PRO A 64 13.705 -5.864 77.674 1.00 0.00 C ATOM 987 CG PRO A 64 13.389 -6.907 78.790 1.00 0.00 C ATOM 988 CD PRO A 64 12.806 -8.159 78.081 1.00 0.00 C ATOM 0 HA PRO A 64 12.060 -6.119 76.222 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.779 -5.723 77.555 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.280 -4.889 77.910 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.291 -7.163 79.347 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.676 -6.502 79.507 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.247 -9.084 78.451 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.728 -8.244 78.216 1.00 0.00 H new ATOM 996 N ASP A 65 13.070 -5.159 74.398 1.00 0.00 N ATOM 997 CA ASP A 65 13.597 -4.630 73.115 1.00 0.00 C ATOM 998 C ASP A 65 13.187 -3.165 73.012 1.00 0.00 C ATOM 999 O ASP A 65 13.976 -2.300 72.682 1.00 0.00 O ATOM 1000 CB ASP A 65 12.992 -5.422 71.948 1.00 0.00 C ATOM 1001 CG ASP A 65 13.700 -6.772 71.825 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.865 -6.777 71.454 1.00 0.00 O ATOM 1003 OD2 ASP A 65 13.069 -7.776 72.102 1.00 0.00 O ATOM 0 H ASP A 65 12.144 -4.815 74.650 1.00 0.00 H new ATOM 0 HA ASP A 65 14.682 -4.724 73.076 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.925 -5.573 72.112 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.096 -4.859 71.020 1.00 0.00 H new ATOM 1008 N LYS A 66 11.950 -2.887 73.309 1.00 0.00 N ATOM 1009 CA LYS A 66 11.439 -1.504 73.255 1.00 0.00 C ATOM 1010 C LYS A 66 11.667 -0.845 74.615 1.00 0.00 C ATOM 1011 O LYS A 66 11.804 0.353 74.724 1.00 0.00 O ATOM 1012 CB LYS A 66 9.944 -1.582 72.944 1.00 0.00 C ATOM 1013 CG LYS A 66 9.451 -0.261 72.361 1.00 0.00 C ATOM 1014 CD LYS A 66 9.461 0.843 73.437 1.00 0.00 C ATOM 1015 CE LYS A 66 8.236 1.746 73.288 1.00 0.00 C ATOM 1016 NZ LYS A 66 8.278 2.804 74.338 1.00 0.00 N ATOM 0 H LYS A 66 11.260 -3.583 73.593 1.00 0.00 H new ATOM 0 HA LYS A 66 11.948 -0.916 72.492 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.755 -2.391 72.238 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.389 -1.815 73.853 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.085 0.033 71.525 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.442 -0.385 71.968 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.469 0.392 74.429 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.371 1.437 73.349 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.222 2.200 72.297 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.323 1.159 73.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.447 3.422 74.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.272 2.360 75.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.144 3.369 74.227 1.00 0.00 H new ATOM 1030 N HIS A 67 11.716 -1.630 75.658 1.00 0.00 N ATOM 1031 CA HIS A 67 11.936 -1.060 77.015 1.00 0.00 C ATOM 1032 C HIS A 67 13.414 -0.749 77.204 1.00 0.00 C ATOM 1033 O HIS A 67 13.817 -0.245 78.234 1.00 0.00 O ATOM 1034 CB HIS A 67 11.510 -2.076 78.065 1.00 0.00 C ATOM 1035 CG HIS A 67 10.019 -2.288 78.019 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.123 -1.254 77.768 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.250 -3.409 78.225 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.883 -1.773 77.836 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.904 -3.081 78.109 1.00 0.00 N ATOM 0 H HIS A 67 11.613 -2.644 75.626 1.00 0.00 H new ATOM 0 HA HIS A 67 11.350 -0.147 77.120 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.023 -3.022 77.894 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.804 -1.729 79.056 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.633 -4.395 78.444 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.979 -1.201 77.688 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.104 -3.705 78.211 1.00 0.00 H new ATOM 1047 N HIS A 68 14.215 -1.049 76.221 1.00 0.00 N ATOM 1048 CA HIS A 68 15.674 -0.781 76.322 1.00 0.00 C ATOM 1049 C HIS A 68 16.173 -1.113 77.733 1.00 0.00 C ATOM 1050 O HIS A 68 17.188 -0.601 78.169 1.00 0.00 O ATOM 1051 CB HIS A 68 15.938 0.702 76.010 1.00 0.00 C ATOM 1052 CG HIS A 68 15.019 1.157 74.910 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.954 0.522 73.680 1.00 0.00 N ATOM 1054 CD2 HIS A 68 14.130 2.194 74.846 1.00 0.00 C ATOM 1055 CE1 HIS A 68 14.049 1.185 72.934 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.517 2.213 73.596 1.00 0.00 N ATOM 0 H HIS A 68 13.917 -1.473 75.343 1.00 0.00 H new ATOM 0 HA HIS A 68 16.208 -1.406 75.606 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.779 1.306 76.903 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.977 0.842 75.711 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.933 2.893 75.645 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.786 0.916 71.922 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.814 2.871 73.260 1.00 0.00 H new ATOM 1064 N ILE A 69 15.479 -1.970 78.445 1.00 0.00 N ATOM 1065 CA ILE A 69 15.942 -2.326 79.823 1.00 0.00 C ATOM 1066 C ILE A 69 15.463 -3.693 80.218 1.00 0.00 C ATOM 1067 O ILE A 69 14.485 -4.215 79.719 1.00 0.00 O ATOM 1068 CB ILE A 69 15.473 -1.273 80.861 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.705 -0.765 81.603 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.454 -1.832 81.908 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.364 -1.903 82.386 1.00 0.00 C ATOM 0 H ILE A 69 14.624 -2.432 78.136 1.00 0.00 H new ATOM 0 HA ILE A 69 17.032 -2.333 79.809 1.00 0.00 H new ATOM 0 HB ILE A 69 14.958 -0.483 80.314 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.417 -0.344 80.893 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.422 0.037 82.284 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.172 -1.039 82.600 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.566 -2.197 81.392 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.914 -2.651 82.462 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.242 -1.524 82.910 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.655 -2.305 83.110 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.666 -2.692 81.697 1.00 0.00 H new ATOM 1083 N THR A 70 16.182 -4.256 81.136 1.00 0.00 N ATOM 1084 CA THR A 70 15.869 -5.587 81.672 1.00 0.00 C ATOM 1085 C THR A 70 15.424 -5.374 83.118 1.00 0.00 C ATOM 1086 O THR A 70 15.712 -4.345 83.697 1.00 0.00 O ATOM 1087 CB THR A 70 17.116 -6.445 81.589 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.073 -7.418 82.625 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.336 -5.522 81.721 1.00 0.00 C ATOM 0 H THR A 70 17.008 -3.824 81.550 1.00 0.00 H new ATOM 0 HA THR A 70 15.081 -6.094 81.115 1.00 0.00 H new ATOM 0 HB THR A 70 17.180 -6.973 80.638 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.985 -8.311 82.231 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.249 -6.115 81.664 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.328 -4.791 80.913 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.299 -5.004 82.679 1.00 0.00 H new ATOM 1097 N PRO A 71 14.668 -6.275 83.649 1.00 0.00 N ATOM 1098 CA PRO A 71 14.089 -6.090 84.990 1.00 0.00 C ATOM 1099 C PRO A 71 15.089 -6.072 86.158 1.00 0.00 C ATOM 1100 O PRO A 71 14.735 -5.642 87.239 1.00 0.00 O ATOM 1101 CB PRO A 71 13.084 -7.249 85.101 1.00 0.00 C ATOM 1102 CG PRO A 71 12.959 -7.827 83.676 1.00 0.00 C ATOM 1103 CD PRO A 71 14.295 -7.552 83.013 1.00 0.00 C ATOM 0 HA PRO A 71 13.643 -5.099 85.080 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.435 -8.006 85.802 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.119 -6.898 85.468 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.746 -8.896 83.702 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.144 -7.353 83.129 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.023 -8.339 83.210 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.207 -7.463 81.930 1.00 0.00 H new ATOM 1111 N LEU A 72 16.304 -6.516 86.016 1.00 0.00 N ATOM 1112 CA LEU A 72 17.188 -6.465 87.212 1.00 0.00 C ATOM 1113 C LEU A 72 17.289 -5.022 87.690 1.00 0.00 C ATOM 1114 O LEU A 72 17.308 -4.755 88.877 1.00 0.00 O ATOM 1115 CB LEU A 72 18.596 -7.034 86.932 1.00 0.00 C ATOM 1116 CG LEU A 72 18.632 -7.933 85.679 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.359 -8.817 85.548 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.832 -7.046 84.433 1.00 0.00 C ATOM 0 H LEU A 72 16.712 -6.897 85.162 1.00 0.00 H new ATOM 0 HA LEU A 72 16.745 -7.092 87.986 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.298 -6.210 86.804 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.931 -7.607 87.796 1.00 0.00 H new ATOM 0 HG LEU A 72 19.469 -8.625 85.773 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.433 -9.431 84.650 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.272 -9.462 86.423 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.478 -8.179 85.479 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.859 -7.672 83.541 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.007 -6.338 84.354 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.771 -6.500 84.522 1.00 0.00 H new ATOM 1130 N LEU A 73 17.338 -4.079 86.794 1.00 0.00 N ATOM 1131 CA LEU A 73 17.424 -2.660 87.241 1.00 0.00 C ATOM 1132 C LEU A 73 16.090 -2.241 87.847 1.00 0.00 C ATOM 1133 O LEU A 73 16.009 -1.319 88.634 1.00 0.00 O ATOM 1134 CB LEU A 73 17.773 -1.762 86.065 1.00 0.00 C ATOM 1135 CG LEU A 73 19.128 -2.207 85.506 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.929 -3.372 84.509 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.831 -0.995 84.860 1.00 0.00 C ATOM 0 H LEU A 73 17.323 -4.224 85.784 1.00 0.00 H new ATOM 0 HA LEU A 73 18.207 -2.564 87.993 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.004 -1.829 85.295 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.817 -0.720 86.383 1.00 0.00 H new ATOM 0 HG LEU A 73 19.768 -2.577 86.307 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.897 -3.683 84.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.458 -4.212 85.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.292 -3.043 83.688 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.796 -1.305 84.460 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.212 -0.603 84.052 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.982 -0.219 85.611 1.00 0.00 H new ATOM 1149 N SER A 74 15.042 -2.920 87.507 1.00 0.00 N ATOM 1150 CA SER A 74 13.736 -2.554 88.104 1.00 0.00 C ATOM 1151 C SER A 74 13.867 -2.627 89.633 1.00 0.00 C ATOM 1152 O SER A 74 13.526 -1.702 90.359 1.00 0.00 O ATOM 1153 CB SER A 74 12.647 -3.528 87.645 1.00 0.00 C ATOM 1154 OG SER A 74 12.168 -4.260 88.765 1.00 0.00 O ATOM 0 H SER A 74 15.029 -3.702 86.852 1.00 0.00 H new ATOM 0 HA SER A 74 13.460 -1.548 87.788 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.829 -2.982 87.176 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.046 -4.210 86.894 1.00 0.00 H new ATOM 0 HG SER A 74 11.233 -4.512 88.616 1.00 0.00 H new ATOM 1160 N ALA A 75 14.361 -3.736 90.116 1.00 0.00 N ATOM 1161 CA ALA A 75 14.517 -3.923 91.596 1.00 0.00 C ATOM 1162 C ALA A 75 15.605 -2.994 92.147 1.00 0.00 C ATOM 1163 O ALA A 75 15.534 -2.534 93.271 1.00 0.00 O ATOM 1164 CB ALA A 75 14.890 -5.378 91.897 1.00 0.00 C ATOM 0 H ALA A 75 14.666 -4.527 89.549 1.00 0.00 H new ATOM 0 HA ALA A 75 13.570 -3.679 92.077 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.002 -5.510 92.973 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.104 -6.038 91.531 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.829 -5.623 91.401 1.00 0.00 H new ATOM 1170 N VAL A 76 16.608 -2.713 91.373 1.00 0.00 N ATOM 1171 CA VAL A 76 17.700 -1.811 91.844 1.00 0.00 C ATOM 1172 C VAL A 76 17.091 -0.571 92.495 1.00 0.00 C ATOM 1173 O VAL A 76 17.216 -0.368 93.690 1.00 0.00 O ATOM 1174 CB VAL A 76 18.544 -1.447 90.607 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.474 -0.238 90.806 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.403 -2.651 90.255 1.00 0.00 C ATOM 0 H VAL A 76 16.724 -3.070 90.425 1.00 0.00 H new ATOM 0 HA VAL A 76 18.330 -2.291 92.593 1.00 0.00 H new ATOM 0 HB VAL A 76 17.843 -1.174 89.818 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.030 -0.052 89.887 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.880 0.641 91.055 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.172 -0.446 91.617 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.012 -2.420 89.381 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.053 -2.893 91.096 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.761 -3.504 90.035 1.00 0.00 H new ATOM 1186 N TYR A 77 16.432 0.252 91.738 1.00 0.00 N ATOM 1187 CA TYR A 77 15.821 1.460 92.353 1.00 0.00 C ATOM 1188 C TYR A 77 14.559 1.037 93.125 1.00 0.00 C ATOM 1189 O TYR A 77 13.490 1.569 92.908 1.00 0.00 O ATOM 1190 CB TYR A 77 15.453 2.498 91.265 1.00 0.00 C ATOM 1191 CG TYR A 77 16.240 2.240 90.010 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.722 1.390 89.032 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.477 2.857 89.823 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.451 1.147 87.865 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.204 2.620 88.658 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.695 1.765 87.679 1.00 0.00 C ATOM 1197 OH TYR A 77 18.428 1.524 86.529 1.00 0.00 O ATOM 0 H TYR A 77 16.290 0.146 90.734 1.00 0.00 H new ATOM 0 HA TYR A 77 16.537 1.921 93.033 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.386 2.447 91.050 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.657 3.505 91.630 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.760 0.921 89.177 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.871 3.518 90.581 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.057 0.485 87.108 1.00 0.00 H new ATOM 0 HE2 TYR A 77 19.161 3.098 88.513 1.00 0.00 H new ATOM 0 HH TYR A 77 19.139 2.194 86.448 1.00 0.00 H new ATOM 1207 N GLU A 78 14.670 0.069 94.008 1.00 0.00 N ATOM 1208 CA GLU A 78 13.462 -0.399 94.766 1.00 0.00 C ATOM 1209 C GLU A 78 13.786 -0.547 96.254 1.00 0.00 C ATOM 1210 O GLU A 78 12.936 -0.392 97.109 1.00 0.00 O ATOM 1211 CB GLU A 78 13.057 -1.768 94.216 1.00 0.00 C ATOM 1212 CG GLU A 78 11.576 -2.019 94.497 1.00 0.00 C ATOM 1213 CD GLU A 78 10.734 -1.171 93.547 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.714 -1.479 92.366 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.131 -0.215 94.010 1.00 0.00 O ATOM 0 H GLU A 78 15.539 -0.414 94.235 1.00 0.00 H new ATOM 0 HA GLU A 78 12.658 0.328 94.650 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.246 -1.810 93.143 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.662 -2.549 94.677 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.342 -3.075 94.365 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.342 -1.768 95.532 1.00 0.00 H new ATOM 1222 N GLY A 79 15.001 -0.897 96.551 1.00 0.00 N ATOM 1223 CA GLY A 79 15.405 -1.121 97.963 1.00 0.00 C ATOM 1224 C GLY A 79 15.230 -2.614 98.244 1.00 0.00 C ATOM 1225 O GLY A 79 15.581 -3.115 99.294 1.00 0.00 O ATOM 0 H GLY A 79 15.743 -1.040 95.866 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.440 -0.817 98.121 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.791 -0.526 98.639 1.00 0.00 H new ATOM 1229 N HIS A 80 14.695 -3.326 97.278 1.00 0.00 N ATOM 1230 CA HIS A 80 14.494 -4.789 97.422 1.00 0.00 C ATOM 1231 C HIS A 80 15.817 -5.500 97.141 1.00 0.00 C ATOM 1232 O HIS A 80 16.365 -6.173 97.986 1.00 0.00 O ATOM 1233 CB HIS A 80 13.471 -5.258 96.386 1.00 0.00 C ATOM 1234 CG HIS A 80 12.074 -5.125 96.923 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.251 -6.227 97.035 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.342 -4.062 97.406 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.093 -5.823 97.573 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.088 -4.509 97.817 1.00 0.00 N ATOM 0 H HIS A 80 14.387 -2.941 96.385 1.00 0.00 H new ATOM 0 HA HIS A 80 14.144 -5.014 98.430 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.573 -4.670 95.474 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.666 -6.297 96.119 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.687 -3.040 97.458 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.263 -6.480 97.784 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.331 -3.954 98.217 1.00 0.00 H new ATOM 1246 N VAL A 81 16.327 -5.343 95.940 1.00 0.00 N ATOM 1247 CA VAL A 81 17.623 -5.989 95.555 1.00 0.00 C ATOM 1248 C VAL A 81 17.798 -7.346 96.256 1.00 0.00 C ATOM 1249 O VAL A 81 18.881 -7.904 96.323 1.00 0.00 O ATOM 1250 CB VAL A 81 18.771 -5.012 95.851 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.922 -4.033 94.680 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.427 -4.189 97.090 1.00 0.00 C ATOM 0 H VAL A 81 15.894 -4.788 95.202 1.00 0.00 H new ATOM 0 HA VAL A 81 17.628 -6.207 94.487 1.00 0.00 H new ATOM 0 HB VAL A 81 19.689 -5.580 96.003 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.736 -3.339 94.889 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.143 -4.588 93.768 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.994 -3.475 94.550 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.240 -3.495 97.303 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.509 -3.629 96.912 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.286 -4.855 97.942 1.00 0.00 H new ATOM 1262 N SER A 82 16.712 -7.919 96.693 1.00 0.00 N ATOM 1263 CA SER A 82 16.764 -9.276 97.282 1.00 0.00 C ATOM 1264 C SER A 82 16.658 -10.201 96.079 1.00 0.00 C ATOM 1265 O SER A 82 17.021 -11.364 96.102 1.00 0.00 O ATOM 1266 CB SER A 82 15.590 -9.489 98.255 1.00 0.00 C ATOM 1267 OG SER A 82 16.083 -9.460 99.582 1.00 0.00 O ATOM 0 H SER A 82 15.784 -7.497 96.665 1.00 0.00 H new ATOM 0 HA SER A 82 17.669 -9.454 97.863 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.839 -8.712 98.115 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.103 -10.443 98.055 1.00 0.00 H new ATOM 0 HG SER A 82 15.342 -9.593 100.209 1.00 0.00 H new ATOM 1273 N CYS A 83 16.163 -9.637 95.008 1.00 0.00 N ATOM 1274 CA CYS A 83 16.004 -10.389 93.738 1.00 0.00 C ATOM 1275 C CYS A 83 17.323 -10.342 92.947 1.00 0.00 C ATOM 1276 O CYS A 83 17.870 -11.369 92.607 1.00 0.00 O ATOM 1277 CB CYS A 83 14.872 -9.763 92.922 1.00 0.00 C ATOM 1278 SG CYS A 83 14.685 -8.019 93.368 1.00 0.00 S ATOM 0 H CYS A 83 15.857 -8.665 94.965 1.00 0.00 H new ATOM 0 HA CYS A 83 15.758 -11.430 93.949 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.086 -9.854 91.857 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.940 -10.297 93.107 1.00 0.00 H new ATOM 0 HG CYS A 83 13.504 -7.605 93.016 1.00 0.00 H new ATOM 1284 N VAL A 84 17.835 -9.158 92.663 1.00 0.00 N ATOM 1285 CA VAL A 84 19.127 -9.043 91.903 1.00 0.00 C ATOM 1286 C VAL A 84 20.088 -10.142 92.364 1.00 0.00 C ATOM 1287 O VAL A 84 20.767 -10.767 91.568 1.00 0.00 O ATOM 1288 CB VAL A 84 19.763 -7.690 92.202 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.847 -6.567 91.690 1.00 0.00 C ATOM 1290 CG2 VAL A 84 19.969 -7.591 93.710 1.00 0.00 C ATOM 0 H VAL A 84 17.411 -8.268 92.926 1.00 0.00 H new ATOM 0 HA VAL A 84 18.930 -9.142 90.836 1.00 0.00 H new ATOM 0 HB VAL A 84 20.725 -7.589 91.699 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.302 -5.600 91.904 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.708 -6.673 90.614 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.880 -6.631 92.188 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.424 -6.631 93.953 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.007 -7.675 94.215 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.624 -8.397 94.041 1.00 0.00 H new ATOM 1300 N LYS A 85 20.154 -10.372 93.647 1.00 0.00 N ATOM 1301 CA LYS A 85 21.069 -11.414 94.172 1.00 0.00 C ATOM 1302 C LYS A 85 20.802 -12.754 93.454 1.00 0.00 C ATOM 1303 O LYS A 85 21.558 -13.179 92.589 1.00 0.00 O ATOM 1304 CB LYS A 85 20.825 -11.556 95.695 1.00 0.00 C ATOM 1305 CG LYS A 85 22.111 -11.265 96.490 1.00 0.00 C ATOM 1306 CD LYS A 85 22.313 -9.748 96.604 1.00 0.00 C ATOM 1307 CE LYS A 85 23.716 -9.433 97.153 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.764 -9.665 98.628 1.00 0.00 N ATOM 0 H LYS A 85 19.609 -9.878 94.354 1.00 0.00 H new ATOM 0 HA LYS A 85 22.107 -11.132 93.992 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.038 -10.869 96.006 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.475 -12.564 95.918 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.045 -11.709 97.483 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.968 -11.720 95.994 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.185 -9.283 95.626 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.555 -9.322 97.261 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.457 -10.059 96.656 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.975 -8.397 96.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.717 -9.448 98.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.071 -9.049 99.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.537 -10.660 98.831 1.00 0.00 H new ATOM 1322 N LEU A 86 19.757 -13.446 93.810 1.00 0.00 N ATOM 1323 CA LEU A 86 19.520 -14.755 93.141 1.00 0.00 C ATOM 1324 C LEU A 86 19.279 -14.579 91.646 1.00 0.00 C ATOM 1325 O LEU A 86 19.116 -15.543 90.926 1.00 0.00 O ATOM 1326 CB LEU A 86 18.366 -15.548 93.783 1.00 0.00 C ATOM 1327 CG LEU A 86 17.012 -14.805 93.839 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.081 -13.627 94.817 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.556 -14.318 92.452 1.00 0.00 C ATOM 0 H LEU A 86 19.073 -13.173 94.516 1.00 0.00 H new ATOM 0 HA LEU A 86 20.430 -15.339 93.280 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.231 -16.476 93.228 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.655 -15.822 94.798 1.00 0.00 H new ATOM 0 HG LEU A 86 16.271 -15.521 94.194 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.118 -13.117 94.841 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.322 -13.996 95.814 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.853 -12.929 94.492 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.600 -13.802 92.544 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.300 -13.634 92.044 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.445 -15.173 91.785 1.00 0.00 H new ATOM 1341 N LEU A 87 19.239 -13.372 91.170 1.00 0.00 N ATOM 1342 CA LEU A 87 18.972 -13.147 89.722 1.00 0.00 C ATOM 1343 C LEU A 87 20.180 -13.535 88.858 1.00 0.00 C ATOM 1344 O LEU A 87 20.105 -14.470 88.081 1.00 0.00 O ATOM 1345 CB LEU A 87 18.622 -11.669 89.523 1.00 0.00 C ATOM 1346 CG LEU A 87 17.279 -11.519 88.810 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.860 -10.049 88.843 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.416 -11.971 87.359 1.00 0.00 C ATOM 0 H LEU A 87 19.380 -12.525 91.721 1.00 0.00 H new ATOM 0 HA LEU A 87 18.141 -13.779 89.407 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.583 -11.167 90.490 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.404 -11.181 88.941 1.00 0.00 H new ATOM 0 HG LEU A 87 16.529 -12.132 89.310 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.902 -9.932 88.336 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.765 -9.721 89.878 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.614 -9.444 88.338 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.457 -11.863 86.852 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.163 -11.357 86.856 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.726 -13.016 87.331 1.00 0.00 H new ATOM 1360 N LEU A 88 21.281 -12.844 88.944 1.00 0.00 N ATOM 1361 CA LEU A 88 22.408 -13.243 88.070 1.00 0.00 C ATOM 1362 C LEU A 88 22.722 -14.707 88.312 1.00 0.00 C ATOM 1363 O LEU A 88 23.425 -15.341 87.554 1.00 0.00 O ATOM 1364 CB LEU A 88 23.632 -12.341 88.277 1.00 0.00 C ATOM 1365 CG LEU A 88 24.366 -12.603 89.608 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.368 -12.580 90.769 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.115 -13.954 89.581 1.00 0.00 C ATOM 0 H LEU A 88 21.444 -12.048 89.560 1.00 0.00 H new ATOM 0 HA LEU A 88 22.120 -13.116 87.026 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.328 -12.490 87.451 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.316 -11.298 88.244 1.00 0.00 H new ATOM 0 HG LEU A 88 25.103 -11.812 89.748 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.895 -12.766 91.705 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.883 -11.605 90.813 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.615 -13.353 90.617 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.622 -14.108 90.534 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.402 -14.762 89.414 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.850 -13.946 88.776 1.00 0.00 H new ATOM 1379 N SER A 89 22.149 -15.261 89.341 1.00 0.00 N ATOM 1380 CA SER A 89 22.360 -16.702 89.603 1.00 0.00 C ATOM 1381 C SER A 89 21.785 -17.469 88.419 1.00 0.00 C ATOM 1382 O SER A 89 22.064 -18.633 88.204 1.00 0.00 O ATOM 1383 CB SER A 89 21.657 -17.115 90.899 1.00 0.00 C ATOM 1384 OG SER A 89 22.320 -18.256 91.428 1.00 0.00 O ATOM 0 H SER A 89 21.547 -14.778 90.007 1.00 0.00 H new ATOM 0 HA SER A 89 23.422 -16.920 89.720 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.678 -16.297 91.619 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.609 -17.342 90.706 1.00 0.00 H new ATOM 0 HG SER A 89 21.882 -18.532 92.260 1.00 0.00 H new ATOM 1390 N LYS A 90 20.977 -16.795 87.649 1.00 0.00 N ATOM 1391 CA LYS A 90 20.348 -17.409 86.457 1.00 0.00 C ATOM 1392 C LYS A 90 21.032 -16.847 85.195 1.00 0.00 C ATOM 1393 O LYS A 90 20.927 -17.400 84.122 1.00 0.00 O ATOM 1394 CB LYS A 90 18.860 -17.020 86.455 1.00 0.00 C ATOM 1395 CG LYS A 90 18.081 -17.831 87.517 1.00 0.00 C ATOM 1396 CD LYS A 90 17.506 -16.892 88.599 1.00 0.00 C ATOM 1397 CE LYS A 90 16.261 -16.169 88.056 1.00 0.00 C ATOM 1398 NZ LYS A 90 15.718 -15.220 89.081 1.00 0.00 N ATOM 0 H LYS A 90 20.723 -15.819 87.804 1.00 0.00 H new ATOM 0 HA LYS A 90 20.452 -18.494 86.473 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.758 -15.954 86.657 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.433 -17.200 85.468 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.272 -18.384 87.040 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.741 -18.566 87.978 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.246 -17.465 89.489 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.259 -16.163 88.898 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.517 -15.625 87.147 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.498 -16.899 87.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.685 -15.157 88.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.955 -15.564 90.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.137 -14.279 88.939 1.00 0.00 H new ATOM 1412 N GLY A 91 21.731 -15.748 85.343 1.00 0.00 N ATOM 1413 CA GLY A 91 22.432 -15.112 84.186 1.00 0.00 C ATOM 1414 C GLY A 91 22.160 -13.598 84.204 1.00 0.00 C ATOM 1415 O GLY A 91 22.761 -12.862 84.967 1.00 0.00 O ATOM 0 H GLY A 91 21.846 -15.258 86.230 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.504 -15.302 84.245 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.082 -15.546 83.249 1.00 0.00 H new ATOM 1419 N ALA A 92 21.248 -13.132 83.380 1.00 0.00 N ATOM 1420 CA ALA A 92 20.897 -11.665 83.343 1.00 0.00 C ATOM 1421 C ALA A 92 22.155 -10.782 83.356 1.00 0.00 C ATOM 1422 O ALA A 92 22.056 -9.568 83.355 1.00 0.00 O ATOM 1423 CB ALA A 92 20.056 -11.309 84.586 1.00 0.00 C ATOM 0 H ALA A 92 20.724 -13.709 82.722 1.00 0.00 H new ATOM 0 HA ALA A 92 20.342 -11.482 82.423 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.801 -10.249 84.562 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.142 -11.902 84.589 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.630 -11.523 85.487 1.00 0.00 H new ATOM 1429 N ASP A 93 23.326 -11.358 83.403 1.00 0.00 N ATOM 1430 CA ASP A 93 24.564 -10.529 83.472 1.00 0.00 C ATOM 1431 C ASP A 93 24.312 -9.413 84.507 1.00 0.00 C ATOM 1432 O ASP A 93 24.027 -9.690 85.659 1.00 0.00 O ATOM 1433 CB ASP A 93 24.882 -9.941 82.083 1.00 0.00 C ATOM 1434 CG ASP A 93 26.360 -9.535 82.004 1.00 0.00 C ATOM 1435 OD1 ASP A 93 27.116 -9.922 82.879 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.714 -8.854 81.053 1.00 0.00 O ATOM 0 H ASP A 93 23.479 -12.366 83.397 1.00 0.00 H new ATOM 0 HA ASP A 93 25.423 -11.128 83.774 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.657 -10.675 81.309 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.249 -9.074 81.893 1.00 0.00 H new ATOM 1441 N LYS A 94 24.373 -8.170 84.125 1.00 0.00 N ATOM 1442 CA LYS A 94 24.083 -7.075 85.100 1.00 0.00 C ATOM 1443 C LYS A 94 23.815 -5.793 84.323 1.00 0.00 C ATOM 1444 O LYS A 94 23.046 -4.939 84.727 1.00 0.00 O ATOM 1445 CB LYS A 94 25.250 -6.902 86.089 1.00 0.00 C ATOM 1446 CG LYS A 94 26.509 -6.324 85.412 1.00 0.00 C ATOM 1447 CD LYS A 94 27.256 -7.419 84.611 1.00 0.00 C ATOM 1448 CE LYS A 94 27.500 -6.954 83.173 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.542 -7.814 82.536 1.00 0.00 N ATOM 0 H LYS A 94 24.610 -7.861 83.182 1.00 0.00 H new ATOM 0 HA LYS A 94 23.202 -7.327 85.690 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.941 -6.243 86.900 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.491 -7.867 86.536 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.227 -5.509 84.746 1.00 0.00 H new ATOM 0 HG3 LYS A 94 27.173 -5.903 86.167 1.00 0.00 H new ATOM 0 HD2 LYS A 94 28.207 -7.646 85.093 1.00 0.00 H new ATOM 0 HD3 LYS A 94 26.672 -8.339 84.608 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.573 -7.005 82.602 1.00 0.00 H new ATOM 0 HE3 LYS A 94 27.821 -5.912 83.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.367 -7.871 81.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 29.482 -7.402 82.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.503 -8.768 82.947 1.00 0.00 H new ATOM 1463 N THR A 95 24.433 -5.689 83.188 1.00 0.00 N ATOM 1464 CA THR A 95 24.251 -4.520 82.296 1.00 0.00 C ATOM 1465 C THR A 95 24.095 -5.078 80.890 1.00 0.00 C ATOM 1466 O THR A 95 24.714 -4.622 79.949 1.00 0.00 O ATOM 1467 CB THR A 95 25.487 -3.610 82.334 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.973 -3.489 83.666 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.117 -2.228 81.796 1.00 0.00 C ATOM 0 H THR A 95 25.080 -6.391 82.829 1.00 0.00 H new ATOM 0 HA THR A 95 23.388 -3.931 82.607 1.00 0.00 H new ATOM 0 HB THR A 95 26.269 -4.049 81.714 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.920 -3.239 83.647 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.994 -1.581 81.822 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.764 -2.320 80.769 1.00 0.00 H new ATOM 0 HG23 THR A 95 24.329 -1.797 82.413 1.00 0.00 H new ATOM 1477 N VAL A 96 23.287 -6.097 80.768 1.00 0.00 N ATOM 1478 CA VAL A 96 23.080 -6.763 79.456 1.00 0.00 C ATOM 1479 C VAL A 96 22.187 -5.897 78.567 1.00 0.00 C ATOM 1480 O VAL A 96 22.007 -6.200 77.403 1.00 0.00 O ATOM 1481 CB VAL A 96 22.435 -8.160 79.719 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.022 -8.292 79.119 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.314 -9.274 79.138 1.00 0.00 C ATOM 0 H VAL A 96 22.754 -6.501 81.538 1.00 0.00 H new ATOM 0 HA VAL A 96 24.029 -6.895 78.936 1.00 0.00 H new ATOM 0 HB VAL A 96 22.355 -8.256 80.802 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.626 -9.284 79.335 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.369 -7.538 79.557 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.070 -8.147 78.040 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.850 -10.241 79.330 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.421 -9.130 78.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.297 -9.244 79.607 1.00 0.00 H new ATOM 1493 N LYS A 97 21.630 -4.820 79.067 1.00 0.00 N ATOM 1494 CA LYS A 97 20.767 -4.000 78.175 1.00 0.00 C ATOM 1495 C LYS A 97 20.537 -2.581 78.716 1.00 0.00 C ATOM 1496 O LYS A 97 19.884 -1.782 78.072 1.00 0.00 O ATOM 1497 CB LYS A 97 19.416 -4.723 78.007 1.00 0.00 C ATOM 1498 CG LYS A 97 19.190 -5.043 76.532 1.00 0.00 C ATOM 1499 CD LYS A 97 17.900 -5.848 76.354 1.00 0.00 C ATOM 1500 CE LYS A 97 17.651 -6.093 74.857 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.920 -5.915 74.090 1.00 0.00 N ATOM 0 H LYS A 97 21.733 -4.485 80.025 1.00 0.00 H new ATOM 0 HA LYS A 97 21.274 -3.890 77.216 1.00 0.00 H new ATOM 0 HB2 LYS A 97 19.407 -5.641 78.595 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.607 -4.096 78.382 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.132 -4.119 75.957 1.00 0.00 H new ATOM 0 HG3 LYS A 97 20.036 -5.608 76.142 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.977 -6.799 76.881 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.059 -5.309 76.790 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.263 -7.100 74.705 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.894 -5.401 74.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.779 -6.229 73.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.192 -4.911 74.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.674 -6.481 74.530 1.00 0.00 H new ATOM 1515 N GLY A 98 21.053 -2.230 79.867 1.00 0.00 N ATOM 1516 CA GLY A 98 20.821 -0.845 80.359 1.00 0.00 C ATOM 1517 C GLY A 98 21.686 0.115 79.535 1.00 0.00 C ATOM 1518 O GLY A 98 22.488 -0.319 78.736 1.00 0.00 O ATOM 0 H GLY A 98 21.612 -2.830 80.473 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.768 -0.581 80.265 1.00 0.00 H new ATOM 0 HA3 GLY A 98 21.075 -0.771 81.416 1.00 0.00 H new ATOM 1522 N PRO A 99 21.513 1.396 79.752 1.00 0.00 N ATOM 1523 CA PRO A 99 22.279 2.431 79.025 1.00 0.00 C ATOM 1524 C PRO A 99 23.724 1.996 78.839 1.00 0.00 C ATOM 1525 O PRO A 99 24.160 1.690 77.746 1.00 0.00 O ATOM 1526 CB PRO A 99 22.158 3.648 79.952 1.00 0.00 C ATOM 1527 CG PRO A 99 20.835 3.451 80.727 1.00 0.00 C ATOM 1528 CD PRO A 99 20.563 1.935 80.749 1.00 0.00 C ATOM 0 HA PRO A 99 21.913 2.631 78.018 1.00 0.00 H new ATOM 0 HB2 PRO A 99 23.006 3.707 80.634 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.143 4.576 79.380 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.916 3.845 81.740 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.018 3.985 80.242 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.737 1.511 81.738 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.531 1.709 80.482 1.00 0.00 H new ATOM 1536 N ASP A 100 24.457 1.972 79.891 1.00 0.00 N ATOM 1537 CA ASP A 100 25.868 1.566 79.807 1.00 0.00 C ATOM 1538 C ASP A 100 26.300 1.122 81.190 1.00 0.00 C ATOM 1539 O ASP A 100 25.593 0.412 81.875 1.00 0.00 O ATOM 1540 CB ASP A 100 26.709 2.764 79.357 1.00 0.00 C ATOM 1541 CG ASP A 100 28.130 2.305 79.035 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.301 1.128 78.765 1.00 0.00 O ATOM 1543 OD2 ASP A 100 29.024 3.135 79.080 1.00 0.00 O ATOM 0 H ASP A 100 24.135 2.221 80.826 1.00 0.00 H new ATOM 0 HA ASP A 100 26.001 0.755 79.091 1.00 0.00 H new ATOM 0 HB2 ASP A 100 26.259 3.227 78.479 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.730 3.521 80.141 1.00 0.00 H new ATOM 1548 N GLY A 101 27.441 1.546 81.618 1.00 0.00 N ATOM 1549 CA GLY A 101 27.909 1.152 82.967 1.00 0.00 C ATOM 1550 C GLY A 101 26.828 1.495 84.011 1.00 0.00 C ATOM 1551 O GLY A 101 26.975 1.211 85.192 1.00 0.00 O ATOM 0 H GLY A 101 28.075 2.150 81.094 1.00 0.00 H new ATOM 0 HA2 GLY A 101 28.125 0.084 82.990 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.837 1.670 83.206 1.00 0.00 H new ATOM 1555 N LEU A 102 25.728 2.087 83.599 1.00 0.00 N ATOM 1556 CA LEU A 102 24.674 2.434 84.592 1.00 0.00 C ATOM 1557 C LEU A 102 24.376 1.253 85.457 1.00 0.00 C ATOM 1558 O LEU A 102 24.729 1.244 86.615 1.00 0.00 O ATOM 1559 CB LEU A 102 23.362 2.888 83.935 1.00 0.00 C ATOM 1560 CG LEU A 102 22.427 3.475 85.017 1.00 0.00 C ATOM 1561 CD1 LEU A 102 21.279 4.262 84.371 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.862 2.376 85.937 1.00 0.00 C ATOM 0 H LEU A 102 25.522 2.339 82.632 1.00 0.00 H new ATOM 0 HA LEU A 102 25.068 3.263 85.179 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.565 3.636 83.169 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.880 2.046 83.439 1.00 0.00 H new ATOM 0 HG LEU A 102 23.023 4.153 85.629 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.632 4.667 85.149 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.687 5.079 83.777 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.701 3.599 83.727 1.00 0.00 H new ATOM 0 HD21 LEU A 102 21.210 2.827 86.685 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.293 1.661 85.343 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.683 1.861 86.436 1.00 0.00 H new ATOM 1574 N THR A 103 23.687 0.278 84.921 1.00 0.00 N ATOM 1575 CA THR A 103 23.304 -0.884 85.745 1.00 0.00 C ATOM 1576 C THR A 103 23.242 -0.396 87.183 1.00 0.00 C ATOM 1577 O THR A 103 22.366 0.357 87.582 1.00 0.00 O ATOM 1578 CB THR A 103 24.366 -1.985 85.594 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.344 -2.839 86.736 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.742 -1.331 85.459 1.00 0.00 C ATOM 0 H THR A 103 23.378 0.245 83.949 1.00 0.00 H new ATOM 0 HA THR A 103 22.343 -1.299 85.439 1.00 0.00 H new ATOM 0 HB THR A 103 24.154 -2.582 84.707 1.00 0.00 H new ATOM 0 HG1 THR A 103 23.928 -3.694 86.497 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.503 -2.104 85.351 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.753 -0.685 84.581 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.951 -0.737 86.349 1.00 0.00 H new ATOM 1588 N ALA A 104 24.163 -0.788 87.956 1.00 0.00 N ATOM 1589 CA ALA A 104 24.174 -0.350 89.363 1.00 0.00 C ATOM 1590 C ALA A 104 24.988 0.950 89.550 1.00 0.00 C ATOM 1591 O ALA A 104 24.748 1.709 90.472 1.00 0.00 O ATOM 1592 CB ALA A 104 24.802 -1.473 90.131 1.00 0.00 C ATOM 0 H ALA A 104 24.930 -1.404 87.685 1.00 0.00 H new ATOM 0 HA ALA A 104 23.164 -0.129 89.709 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.842 -1.213 91.189 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.209 -2.378 90.002 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.813 -1.646 89.762 1.00 0.00 H new ATOM 1598 N LEU A 105 25.966 1.201 88.721 1.00 0.00 N ATOM 1599 CA LEU A 105 26.810 2.420 88.898 1.00 0.00 C ATOM 1600 C LEU A 105 26.016 3.725 88.889 1.00 0.00 C ATOM 1601 O LEU A 105 25.927 4.405 89.889 1.00 0.00 O ATOM 1602 CB LEU A 105 27.821 2.517 87.771 1.00 0.00 C ATOM 1603 CG LEU A 105 28.483 1.175 87.538 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.577 1.346 86.492 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.099 0.687 88.848 1.00 0.00 C ATOM 0 H LEU A 105 26.218 0.613 87.926 1.00 0.00 H new ATOM 0 HA LEU A 105 27.281 2.305 89.874 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.327 2.849 86.858 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.576 3.265 88.015 1.00 0.00 H new ATOM 0 HG LEU A 105 27.750 0.447 87.190 1.00 0.00 H new ATOM 0 HD11 LEU A 105 30.063 0.387 86.314 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.138 1.709 85.563 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.314 2.065 86.850 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.577 -0.279 88.687 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.842 1.407 89.191 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.318 0.584 89.601 1.00 0.00 H new ATOM 1617 N GLU A 106 25.489 4.132 87.765 1.00 0.00 N ATOM 1618 CA GLU A 106 24.783 5.439 87.745 1.00 0.00 C ATOM 1619 C GLU A 106 23.391 5.266 88.345 1.00 0.00 C ATOM 1620 O GLU A 106 22.614 6.192 88.407 1.00 0.00 O ATOM 1621 CB GLU A 106 24.772 5.991 86.282 1.00 0.00 C ATOM 1622 CG GLU A 106 23.433 6.628 85.858 1.00 0.00 C ATOM 1623 CD GLU A 106 23.324 8.044 86.427 1.00 0.00 C ATOM 1624 OE1 GLU A 106 24.210 8.432 87.167 1.00 0.00 O ATOM 1625 OE2 GLU A 106 22.358 8.720 86.103 1.00 0.00 O ATOM 0 H GLU A 106 25.516 3.627 86.879 1.00 0.00 H new ATOM 0 HA GLU A 106 25.297 6.180 88.357 1.00 0.00 H new ATOM 0 HB2 GLU A 106 25.563 6.733 86.180 1.00 0.00 H new ATOM 0 HB3 GLU A 106 25.008 5.177 85.596 1.00 0.00 H new ATOM 0 HG2 GLU A 106 23.363 6.658 84.771 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.602 6.019 86.214 1.00 0.00 H new ATOM 1632 N ALA A 107 23.089 4.085 88.827 1.00 0.00 N ATOM 1633 CA ALA A 107 21.755 3.878 89.446 1.00 0.00 C ATOM 1634 C ALA A 107 21.661 4.504 90.859 1.00 0.00 C ATOM 1635 O ALA A 107 20.678 5.154 91.161 1.00 0.00 O ATOM 1636 CB ALA A 107 21.471 2.380 89.569 1.00 0.00 C ATOM 0 H ALA A 107 23.702 3.270 88.817 1.00 0.00 H new ATOM 0 HA ALA A 107 21.025 4.366 88.800 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.491 2.231 90.024 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.484 1.925 88.579 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.235 1.915 90.192 1.00 0.00 H new ATOM 1642 N THR A 108 22.619 4.278 91.748 1.00 0.00 N ATOM 1643 CA THR A 108 22.469 4.831 93.139 1.00 0.00 C ATOM 1644 C THR A 108 23.803 4.979 93.898 1.00 0.00 C ATOM 1645 O THR A 108 24.859 5.225 93.340 1.00 0.00 O ATOM 1646 CB THR A 108 21.636 3.832 93.926 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.360 4.345 95.224 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.438 2.530 94.047 1.00 0.00 C ATOM 0 H THR A 108 23.473 3.749 91.573 1.00 0.00 H new ATOM 0 HA THR A 108 22.024 5.822 93.048 1.00 0.00 H new ATOM 0 HB THR A 108 20.690 3.650 93.415 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.822 3.697 95.724 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.859 1.797 94.609 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.650 2.139 93.052 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.376 2.727 94.566 1.00 0.00 H new ATOM 1656 N ASP A 109 23.712 4.814 95.214 1.00 0.00 N ATOM 1657 CA ASP A 109 24.896 4.915 96.119 1.00 0.00 C ATOM 1658 C ASP A 109 24.750 3.935 97.289 1.00 0.00 C ATOM 1659 O ASP A 109 25.657 3.782 98.085 1.00 0.00 O ATOM 1660 CB ASP A 109 25.014 6.338 96.661 1.00 0.00 C ATOM 1661 CG ASP A 109 26.387 6.522 97.308 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.302 5.828 96.905 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.498 7.358 98.190 1.00 0.00 O ATOM 0 H ASP A 109 22.837 4.609 95.697 1.00 0.00 H new ATOM 0 HA ASP A 109 25.793 4.666 95.552 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.880 7.059 95.854 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.227 6.527 97.391 1.00 0.00 H new ATOM 1668 N ASN A 110 23.645 3.232 97.393 1.00 0.00 N ATOM 1669 CA ASN A 110 23.545 2.253 98.503 1.00 0.00 C ATOM 1670 C ASN A 110 24.387 1.064 98.061 1.00 0.00 C ATOM 1671 O ASN A 110 24.493 0.773 96.889 1.00 0.00 O ATOM 1672 CB ASN A 110 22.080 1.866 98.796 1.00 0.00 C ATOM 1673 CG ASN A 110 21.491 1.095 97.623 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.134 1.076 96.496 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.431 0.509 97.729 1.00 0.00 N flip ATOM 0 H ASN A 110 22.836 3.295 96.775 1.00 0.00 H new ATOM 0 HA ASN A 110 23.910 2.665 99.444 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.031 1.259 99.700 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.490 2.763 98.983 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.926 0.524 98.615 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.047 0.002 96.932 1.00 0.00 H new ATOM 1682 N GLN A 111 25.070 0.448 98.958 1.00 0.00 N ATOM 1683 CA GLN A 111 26.001 -0.644 98.570 1.00 0.00 C ATOM 1684 C GLN A 111 25.293 -1.984 98.245 1.00 0.00 C ATOM 1685 O GLN A 111 25.943 -2.987 98.037 1.00 0.00 O ATOM 1686 CB GLN A 111 27.008 -0.784 99.716 1.00 0.00 C ATOM 1687 CG GLN A 111 27.779 -2.102 99.640 1.00 0.00 C ATOM 1688 CD GLN A 111 29.055 -2.002 100.488 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.073 -2.447 101.620 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.133 -1.434 100.001 1.00 0.00 N ATOM 0 H GLN A 111 25.030 0.648 99.957 1.00 0.00 H new ATOM 0 HA GLN A 111 26.499 -0.385 97.635 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.710 0.049 99.686 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.483 -0.725 100.670 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.155 -2.921 99.998 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.035 -2.326 98.604 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.127 -1.058 99.053 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.977 -1.369 100.571 1.00 0.00 H new ATOM 1699 N ALA A 112 23.986 -2.020 98.147 1.00 0.00 N ATOM 1700 CA ALA A 112 23.314 -3.317 97.790 1.00 0.00 C ATOM 1701 C ALA A 112 23.271 -3.429 96.267 1.00 0.00 C ATOM 1702 O ALA A 112 23.625 -4.428 95.661 1.00 0.00 O ATOM 1703 CB ALA A 112 21.884 -3.341 98.338 1.00 0.00 C ATOM 0 H ALA A 112 23.362 -1.226 98.295 1.00 0.00 H new ATOM 0 HA ALA A 112 23.868 -4.150 98.223 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.408 -4.285 98.073 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.908 -3.239 99.423 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.316 -2.516 97.909 1.00 0.00 H new ATOM 1709 N ILE A 113 22.881 -2.372 95.659 1.00 0.00 N ATOM 1710 CA ILE A 113 22.817 -2.302 94.183 1.00 0.00 C ATOM 1711 C ILE A 113 24.223 -2.441 93.671 1.00 0.00 C ATOM 1712 O ILE A 113 24.530 -3.220 92.781 1.00 0.00 O ATOM 1713 CB ILE A 113 22.321 -0.890 93.846 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.785 -0.829 93.809 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.880 -0.422 92.500 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.206 -0.691 95.220 1.00 0.00 C ATOM 0 H ILE A 113 22.591 -1.517 96.134 1.00 0.00 H new ATOM 0 HA ILE A 113 22.173 -3.069 93.753 1.00 0.00 H new ATOM 0 HB ILE A 113 22.679 -0.227 94.634 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.466 0.015 93.197 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.393 -1.731 93.338 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.514 0.582 92.283 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.969 -0.410 92.543 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.555 -1.104 91.714 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.118 -0.650 95.165 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.507 -1.548 95.822 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.580 0.224 95.679 1.00 0.00 H new ATOM 1728 N LYS A 114 25.069 -1.670 94.241 1.00 0.00 N ATOM 1729 CA LYS A 114 26.459 -1.702 93.827 1.00 0.00 C ATOM 1730 C LYS A 114 26.969 -3.127 93.982 1.00 0.00 C ATOM 1731 O LYS A 114 28.018 -3.479 93.477 1.00 0.00 O ATOM 1732 CB LYS A 114 27.244 -0.712 94.677 1.00 0.00 C ATOM 1733 CG LYS A 114 26.521 0.659 94.666 1.00 0.00 C ATOM 1734 CD LYS A 114 26.651 1.348 93.300 1.00 0.00 C ATOM 1735 CE LYS A 114 26.204 2.806 93.434 1.00 0.00 C ATOM 1736 NZ LYS A 114 26.315 3.491 92.111 1.00 0.00 N ATOM 0 H LYS A 114 24.850 -1.010 94.987 1.00 0.00 H new ATOM 0 HA LYS A 114 26.578 -1.410 92.784 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.332 -1.082 95.699 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.257 -0.605 94.289 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.467 0.519 94.906 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.941 1.300 95.441 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.683 1.301 92.951 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.040 0.833 92.559 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.175 2.850 93.792 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.820 3.319 94.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 25.856 4.423 92.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.318 3.613 91.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 25.848 2.915 91.382 1.00 0.00 H new ATOM 1750 N ALA A 115 26.209 -3.958 94.648 1.00 0.00 N ATOM 1751 CA ALA A 115 26.633 -5.365 94.797 1.00 0.00 C ATOM 1752 C ALA A 115 26.612 -6.013 93.415 1.00 0.00 C ATOM 1753 O ALA A 115 27.467 -6.816 93.093 1.00 0.00 O ATOM 1754 CB ALA A 115 25.686 -6.114 95.743 1.00 0.00 C ATOM 0 H ALA A 115 25.321 -3.717 95.089 1.00 0.00 H new ATOM 0 HA ALA A 115 27.636 -5.408 95.222 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.013 -7.149 95.841 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.697 -5.636 96.722 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.674 -6.090 95.339 1.00 0.00 H new ATOM 1760 N LEU A 116 25.648 -5.680 92.580 1.00 0.00 N ATOM 1761 CA LEU A 116 25.627 -6.308 91.216 1.00 0.00 C ATOM 1762 C LEU A 116 26.779 -5.756 90.381 1.00 0.00 C ATOM 1763 O LEU A 116 27.199 -6.358 89.416 1.00 0.00 O ATOM 1764 CB LEU A 116 24.293 -6.047 90.476 1.00 0.00 C ATOM 1765 CG LEU A 116 23.371 -7.276 90.533 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.140 -7.014 89.652 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.100 -8.539 90.016 1.00 0.00 C ATOM 0 H LEU A 116 24.896 -5.020 92.777 1.00 0.00 H new ATOM 0 HA LEU A 116 25.733 -7.385 91.349 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.788 -5.191 90.923 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.496 -5.790 89.436 1.00 0.00 H new ATOM 0 HG LEU A 116 23.075 -7.444 91.569 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.478 -7.880 89.685 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.608 -6.137 90.021 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.459 -6.839 88.624 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.426 -9.394 90.067 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.411 -8.383 88.983 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.977 -8.731 90.634 1.00 0.00 H new ATOM 1779 N LEU A 117 27.315 -4.625 90.741 1.00 0.00 N ATOM 1780 CA LEU A 117 28.449 -4.081 89.951 1.00 0.00 C ATOM 1781 C LEU A 117 29.706 -4.858 90.358 1.00 0.00 C ATOM 1782 O LEU A 117 30.786 -4.681 89.822 1.00 0.00 O ATOM 1783 CB LEU A 117 28.560 -2.553 90.228 1.00 0.00 C ATOM 1784 CG LEU A 117 29.722 -2.200 91.188 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.087 -2.216 90.450 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.489 -0.798 91.808 1.00 0.00 C ATOM 0 H LEU A 117 27.021 -4.061 91.538 1.00 0.00 H new ATOM 0 HA LEU A 117 28.308 -4.200 88.877 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.702 -2.027 89.284 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.622 -2.197 90.654 1.00 0.00 H new ATOM 0 HG LEU A 117 29.746 -2.953 91.975 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.883 -1.964 91.151 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.267 -3.209 90.039 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.072 -1.486 89.641 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.311 -0.557 92.482 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.440 -0.053 91.014 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.552 -0.797 92.364 1.00 0.00 H new ATOM 1798 N GLN A 118 29.554 -5.764 91.279 1.00 0.00 N ATOM 1799 CA GLN A 118 30.711 -6.578 91.715 1.00 0.00 C ATOM 1800 C GLN A 118 31.248 -7.369 90.520 1.00 0.00 C ATOM 1801 O GLN A 118 30.654 -7.279 89.459 1.00 0.00 O ATOM 1802 CB GLN A 118 30.255 -7.543 92.811 1.00 0.00 C ATOM 1803 CG GLN A 118 29.463 -8.723 92.216 1.00 0.00 C ATOM 1804 CD GLN A 118 30.426 -9.841 91.823 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.445 -10.276 90.688 1.00 0.00 O ATOM 1806 NE2 GLN A 118 31.236 -10.334 92.726 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.257 -8.041 90.677 1.00 0.00 O ATOM 0 H GLN A 118 28.673 -5.974 91.749 1.00 0.00 H new ATOM 0 HA GLN A 118 31.499 -5.932 92.103 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.123 -7.920 93.353 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.635 -7.012 93.533 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.739 -9.092 92.943 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.899 -8.392 91.344 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.221 -9.969 93.678 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.882 -11.083 92.477 1.00 0.00 H new