USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 555 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -1.71 K(o=-1.7,f=-7.8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -4:sc= 0.457 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 100 LYS NZ :NH3+ -130:sc= -0.0338 (180deg=-0.421) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 150:sc= -0.287 (180deg=-1.83!) USER MOD Single : A 111 THR OG1 : rot 105:sc= 1.28 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= -0.566 K(o=-0.57,f=-2.3!) USER MOD Single : A 139 TYR OH : rot 165:sc= -0.0297 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= -0.0029 K(o=-0.0029,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 178.093 16.431 -8.161 1.00 0.00 N ATOM 2 CA LYS A 80 176.855 16.270 -8.977 1.00 0.00 C ATOM 3 C LYS A 80 175.685 15.846 -8.086 1.00 0.00 C ATOM 4 O LYS A 80 174.642 16.470 -8.059 1.00 0.00 O ATOM 5 CB LYS A 80 177.187 15.170 -9.987 1.00 0.00 C ATOM 6 CG LYS A 80 178.202 15.698 -11.003 1.00 0.00 C ATOM 7 CD LYS A 80 178.524 14.603 -12.021 1.00 0.00 C ATOM 8 CE LYS A 80 179.448 13.564 -11.380 1.00 0.00 C ATOM 9 NZ LYS A 80 180.032 12.812 -12.526 1.00 0.00 N ATOM 0 HA LYS A 80 176.560 17.198 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.592 14.299 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 80 176.281 14.845 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.801 16.575 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.112 16.014 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.605 14.127 -12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 80 179.002 15.037 -12.899 1.00 0.00 H new ATOM 0 HE2 LYS A 80 180.225 14.041 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.896 12.902 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 180.678 12.080 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 179.269 12.363 -13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 180.557 13.467 -13.140 1.00 0.00 H new ATOM 23 N ALA A 81 175.869 14.778 -7.357 1.00 0.00 N ATOM 24 CA ALA A 81 174.802 14.266 -6.447 1.00 0.00 C ATOM 25 C ALA A 81 175.205 14.483 -4.986 1.00 0.00 C ATOM 26 O ALA A 81 176.370 14.667 -4.684 1.00 0.00 O ATOM 27 CB ALA A 81 174.729 12.769 -6.750 1.00 0.00 C ATOM 0 H ALA A 81 176.729 14.229 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 81 173.849 14.773 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.966 12.308 -6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 81 174.474 12.622 -7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.695 12.308 -6.544 1.00 0.00 H new ATOM 33 N LYS A 82 174.257 14.480 -4.081 1.00 0.00 N ATOM 34 CA LYS A 82 174.595 14.702 -2.647 1.00 0.00 C ATOM 35 C LYS A 82 174.422 13.417 -1.838 1.00 0.00 C ATOM 36 O LYS A 82 173.732 12.499 -2.234 1.00 0.00 O ATOM 37 CB LYS A 82 173.611 15.772 -2.172 1.00 0.00 C ATOM 38 CG LYS A 82 173.869 17.074 -2.933 1.00 0.00 C ATOM 39 CD LYS A 82 172.886 18.147 -2.459 1.00 0.00 C ATOM 40 CE LYS A 82 173.478 18.889 -1.260 1.00 0.00 C ATOM 41 NZ LYS A 82 172.680 20.142 -1.150 1.00 0.00 N ATOM 0 H LYS A 82 173.267 14.333 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 82 175.633 15.008 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.586 15.438 -2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.724 15.936 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 82 174.894 17.407 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 82 173.755 16.910 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 82 172.679 18.848 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 82 171.936 17.689 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 82 173.404 18.293 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 82 174.535 19.106 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 173.028 20.706 -0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 172.775 20.692 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 171.679 19.904 -0.998 1.00 0.00 H new ATOM 55 N THR A 83 175.064 13.364 -0.697 1.00 0.00 N ATOM 56 CA THR A 83 174.970 12.152 0.181 1.00 0.00 C ATOM 57 C THR A 83 173.495 11.787 0.398 1.00 0.00 C ATOM 58 O THR A 83 173.140 10.637 0.560 1.00 0.00 O ATOM 59 CB THR A 83 175.629 12.560 1.501 1.00 0.00 C ATOM 60 OG1 THR A 83 176.827 13.274 1.227 1.00 0.00 O ATOM 61 CG2 THR A 83 175.955 11.311 2.323 1.00 0.00 C ATOM 0 H THR A 83 175.653 14.112 -0.332 1.00 0.00 H new ATOM 0 HA THR A 83 175.457 11.280 -0.255 1.00 0.00 H new ATOM 0 HB THR A 83 174.946 13.194 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.251 13.538 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.424 11.605 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 83 175.036 10.763 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.637 10.673 1.761 1.00 0.00 H new ATOM 69 N GLU A 84 172.642 12.778 0.391 1.00 0.00 N ATOM 70 CA GLU A 84 171.173 12.542 0.584 1.00 0.00 C ATOM 71 C GLU A 84 170.656 11.451 -0.361 1.00 0.00 C ATOM 72 O GLU A 84 169.804 10.660 0.000 1.00 0.00 O ATOM 73 CB GLU A 84 170.523 13.882 0.232 1.00 0.00 C ATOM 74 CG GLU A 84 170.859 14.912 1.313 1.00 0.00 C ATOM 75 CD GLU A 84 170.303 16.279 0.905 1.00 0.00 C ATOM 76 OE1 GLU A 84 171.001 16.993 0.205 1.00 0.00 O ATOM 77 OE2 GLU A 84 169.192 16.586 1.301 1.00 0.00 O ATOM 0 H GLU A 84 172.901 13.756 0.258 1.00 0.00 H new ATOM 0 HA GLU A 84 170.947 12.208 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.880 14.228 -0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.442 13.764 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.433 14.605 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.939 14.973 1.450 1.00 0.00 H new ATOM 84 N ASP A 85 171.166 11.406 -1.565 1.00 0.00 N ATOM 85 CA ASP A 85 170.709 10.367 -2.541 1.00 0.00 C ATOM 86 C ASP A 85 170.930 8.965 -1.963 1.00 0.00 C ATOM 87 O ASP A 85 170.018 8.163 -1.894 1.00 0.00 O ATOM 88 CB ASP A 85 171.576 10.576 -3.786 1.00 0.00 C ATOM 89 CG ASP A 85 170.878 9.973 -5.008 1.00 0.00 C ATOM 90 OD1 ASP A 85 170.177 8.988 -4.843 1.00 0.00 O ATOM 91 OD2 ASP A 85 171.056 10.509 -6.090 1.00 0.00 O ATOM 0 H ASP A 85 171.880 12.044 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 85 169.646 10.455 -2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.752 11.640 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.551 10.109 -3.645 1.00 0.00 H new ATOM 96 N PHE A 86 172.134 8.670 -1.550 1.00 0.00 N ATOM 97 CA PHE A 86 172.426 7.323 -0.975 1.00 0.00 C ATOM 98 C PHE A 86 171.898 7.208 0.461 1.00 0.00 C ATOM 99 O PHE A 86 171.415 6.164 0.859 1.00 0.00 O ATOM 100 CB PHE A 86 173.952 7.194 -1.001 1.00 0.00 C ATOM 101 CG PHE A 86 174.397 6.616 -2.330 1.00 0.00 C ATOM 102 CD1 PHE A 86 173.818 5.433 -2.815 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.392 7.261 -3.074 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.233 4.901 -4.042 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.808 6.726 -4.300 1.00 0.00 C ATOM 106 CZ PHE A 86 175.228 5.548 -4.783 1.00 0.00 C ATOM 0 H PHE A 86 172.931 9.306 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 86 171.939 6.531 -1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.411 8.171 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.286 6.553 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.052 4.933 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.839 8.171 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 86 173.785 3.992 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.577 7.223 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.549 5.138 -5.729 1.00 0.00 H new ATOM 116 N VAL A 87 172.002 8.254 1.252 1.00 0.00 N ATOM 117 CA VAL A 87 171.520 8.171 2.673 1.00 0.00 C ATOM 118 C VAL A 87 170.038 7.773 2.711 1.00 0.00 C ATOM 119 O VAL A 87 169.651 6.849 3.401 1.00 0.00 O ATOM 120 CB VAL A 87 171.715 9.584 3.241 1.00 0.00 C ATOM 121 CG1 VAL A 87 171.218 9.638 4.690 1.00 0.00 C ATOM 122 CG2 VAL A 87 173.203 9.944 3.206 1.00 0.00 C ATOM 0 H VAL A 87 172.396 9.154 0.979 1.00 0.00 H new ATOM 0 HA VAL A 87 172.062 7.421 3.250 1.00 0.00 H new ATOM 0 HB VAL A 87 171.147 10.293 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.360 10.644 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 87 170.159 9.382 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.781 8.927 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.344 10.947 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.765 9.229 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.561 9.913 2.177 1.00 0.00 H new ATOM 132 N LYS A 88 169.215 8.471 1.974 1.00 0.00 N ATOM 133 CA LYS A 88 167.752 8.154 1.959 1.00 0.00 C ATOM 134 C LYS A 88 167.525 6.719 1.471 1.00 0.00 C ATOM 135 O LYS A 88 166.590 6.055 1.872 1.00 0.00 O ATOM 136 CB LYS A 88 167.133 9.157 0.982 1.00 0.00 C ATOM 137 CG LYS A 88 165.612 9.156 1.141 1.00 0.00 C ATOM 138 CD LYS A 88 165.016 10.321 0.347 1.00 0.00 C ATOM 139 CE LYS A 88 163.541 10.493 0.717 1.00 0.00 C ATOM 140 NZ LYS A 88 162.791 9.770 -0.348 1.00 0.00 N ATOM 0 H LYS A 88 169.492 9.251 1.378 1.00 0.00 H new ATOM 0 HA LYS A 88 167.307 8.227 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.528 10.155 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.402 8.896 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 88 165.199 8.211 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 88 165.346 9.245 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 88 165.564 11.238 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.114 10.133 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 88 163.330 10.076 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 88 163.262 11.546 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 161.770 9.843 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 163.007 10.193 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 163.072 8.769 -0.352 1.00 0.00 H new ATOM 154 N ALA A 89 168.371 6.251 0.595 1.00 0.00 N ATOM 155 CA ALA A 89 168.215 4.866 0.049 1.00 0.00 C ATOM 156 C ALA A 89 168.283 3.807 1.155 1.00 0.00 C ATOM 157 O ALA A 89 167.382 3.000 1.296 1.00 0.00 O ATOM 158 CB ALA A 89 169.385 4.685 -0.921 1.00 0.00 C ATOM 0 H ALA A 89 169.170 6.769 0.230 1.00 0.00 H new ATOM 0 HA ALA A 89 167.245 4.743 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 89 169.340 3.690 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 89 169.324 5.436 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 89 170.325 4.800 -0.382 1.00 0.00 H new ATOM 164 N PHE A 90 169.347 3.778 1.916 1.00 0.00 N ATOM 165 CA PHE A 90 169.474 2.738 2.986 1.00 0.00 C ATOM 166 C PHE A 90 168.616 3.074 4.212 1.00 0.00 C ATOM 167 O PHE A 90 167.858 2.252 4.692 1.00 0.00 O ATOM 168 CB PHE A 90 170.956 2.735 3.360 1.00 0.00 C ATOM 169 CG PHE A 90 171.747 2.055 2.269 1.00 0.00 C ATOM 170 CD1 PHE A 90 172.168 2.782 1.148 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.062 0.698 2.381 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.905 2.148 0.140 1.00 0.00 C ATOM 173 CE2 PHE A 90 172.797 0.064 1.374 1.00 0.00 C ATOM 174 CZ PHE A 90 173.218 0.789 0.253 1.00 0.00 C ATOM 0 H PHE A 90 170.132 4.426 1.845 1.00 0.00 H new ATOM 0 HA PHE A 90 169.127 1.766 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.310 3.757 3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.102 2.216 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.924 3.831 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 90 171.738 0.138 3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 90 173.232 2.708 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.040 -0.985 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.785 0.299 -0.525 1.00 0.00 H new ATOM 184 N GLN A 91 168.777 4.253 4.756 1.00 0.00 N ATOM 185 CA GLN A 91 168.026 4.633 6.000 1.00 0.00 C ATOM 186 C GLN A 91 166.525 4.325 5.905 1.00 0.00 C ATOM 187 O GLN A 91 165.932 3.878 6.871 1.00 0.00 O ATOM 188 CB GLN A 91 168.249 6.137 6.157 1.00 0.00 C ATOM 189 CG GLN A 91 169.569 6.384 6.890 1.00 0.00 C ATOM 190 CD GLN A 91 169.540 7.768 7.541 1.00 0.00 C ATOM 191 OE1 GLN A 91 169.893 8.752 6.921 1.00 0.00 O ATOM 192 NE2 GLN A 91 169.131 7.887 8.773 1.00 0.00 N ATOM 0 H GLN A 91 169.399 4.976 4.393 1.00 0.00 H new ATOM 0 HA GLN A 91 168.386 4.058 6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 91 168.269 6.616 5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 91 167.423 6.582 6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 91 169.725 5.617 7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 91 170.403 6.316 6.192 1.00 0.00 H new ATOM 0 HE21 GLN A 91 168.835 7.062 9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 91 169.107 8.805 9.216 1.00 0.00 H new ATOM 201 N VAL A 92 165.893 4.558 4.777 1.00 0.00 N ATOM 202 CA VAL A 92 164.422 4.270 4.685 1.00 0.00 C ATOM 203 C VAL A 92 164.168 2.778 4.964 1.00 0.00 C ATOM 204 O VAL A 92 163.207 2.419 5.619 1.00 0.00 O ATOM 205 CB VAL A 92 164.011 4.662 3.260 1.00 0.00 C ATOM 206 CG1 VAL A 92 162.550 4.271 3.002 1.00 0.00 C ATOM 207 CG2 VAL A 92 164.156 6.177 3.094 1.00 0.00 C ATOM 0 H VAL A 92 166.322 4.929 3.929 1.00 0.00 H new ATOM 0 HA VAL A 92 163.839 4.827 5.418 1.00 0.00 H new ATOM 0 HB VAL A 92 164.653 4.140 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 92 162.271 4.555 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 92 162.435 3.194 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 92 161.904 4.786 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 92 163.865 6.462 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 92 163.513 6.685 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 92 165.193 6.464 3.268 1.00 0.00 H new ATOM 217 N PHE A 93 165.038 1.916 4.497 1.00 0.00 N ATOM 218 CA PHE A 93 164.864 0.455 4.766 1.00 0.00 C ATOM 219 C PHE A 93 165.102 0.197 6.257 1.00 0.00 C ATOM 220 O PHE A 93 164.349 -0.515 6.889 1.00 0.00 O ATOM 221 CB PHE A 93 165.926 -0.246 3.917 1.00 0.00 C ATOM 222 CG PHE A 93 165.649 -1.730 3.889 1.00 0.00 C ATOM 223 CD1 PHE A 93 164.471 -2.211 3.305 1.00 0.00 C ATOM 224 CD2 PHE A 93 166.569 -2.625 4.448 1.00 0.00 C ATOM 225 CE1 PHE A 93 164.213 -3.587 3.281 1.00 0.00 C ATOM 226 CE2 PHE A 93 166.312 -4.000 4.423 1.00 0.00 C ATOM 227 CZ PHE A 93 165.133 -4.482 3.839 1.00 0.00 C ATOM 0 H PHE A 93 165.859 2.160 3.943 1.00 0.00 H new ATOM 0 HA PHE A 93 163.866 0.093 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 93 165.920 0.155 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 93 166.918 -0.058 4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 93 163.761 -1.521 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 93 167.478 -2.254 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 93 163.304 -3.958 2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 93 167.022 -4.690 4.854 1.00 0.00 H new ATOM 0 HZ PHE A 93 164.934 -5.543 3.819 1.00 0.00 H new ATOM 237 N ASP A 94 166.149 0.754 6.818 1.00 0.00 N ATOM 238 CA ASP A 94 166.441 0.526 8.272 1.00 0.00 C ATOM 239 C ASP A 94 165.306 1.066 9.150 1.00 0.00 C ATOM 240 O ASP A 94 165.379 2.164 9.670 1.00 0.00 O ATOM 241 CB ASP A 94 167.737 1.292 8.548 1.00 0.00 C ATOM 242 CG ASP A 94 168.929 0.480 8.038 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.970 -0.708 8.311 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.778 1.060 7.381 1.00 0.00 O ATOM 0 H ASP A 94 166.814 1.356 6.333 1.00 0.00 H new ATOM 0 HA ASP A 94 166.534 -0.536 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.709 2.264 8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 94 167.841 1.478 9.617 1.00 0.00 H new ATOM 249 N LYS A 95 164.257 0.300 9.312 1.00 0.00 N ATOM 250 CA LYS A 95 163.105 0.756 10.149 1.00 0.00 C ATOM 251 C LYS A 95 163.544 0.966 11.601 1.00 0.00 C ATOM 252 O LYS A 95 163.142 1.922 12.238 1.00 0.00 O ATOM 253 CB LYS A 95 162.071 -0.372 10.064 1.00 0.00 C ATOM 254 CG LYS A 95 161.657 -0.579 8.606 1.00 0.00 C ATOM 255 CD LYS A 95 160.294 -1.274 8.557 1.00 0.00 C ATOM 256 CE LYS A 95 159.794 -1.315 7.111 1.00 0.00 C ATOM 257 NZ LYS A 95 158.892 -0.136 6.984 1.00 0.00 N ATOM 0 H LYS A 95 164.148 -0.626 8.899 1.00 0.00 H new ATOM 0 HA LYS A 95 162.703 1.707 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 95 162.489 -1.294 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.198 -0.126 10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 95 161.607 0.380 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 95 162.403 -1.181 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.375 -2.286 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 95 159.580 -0.742 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 95 160.622 -1.257 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 95 159.262 -2.244 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 158.508 -0.095 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 158.110 -0.222 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 159.427 0.734 7.181 1.00 0.00 H new ATOM 271 N GLU A 96 164.358 0.086 12.134 1.00 0.00 N ATOM 272 CA GLU A 96 164.813 0.248 13.551 1.00 0.00 C ATOM 273 C GLU A 96 166.126 1.041 13.618 1.00 0.00 C ATOM 274 O GLU A 96 166.813 1.022 14.621 1.00 0.00 O ATOM 275 CB GLU A 96 165.024 -1.178 14.062 1.00 0.00 C ATOM 276 CG GLU A 96 163.686 -1.921 14.080 1.00 0.00 C ATOM 277 CD GLU A 96 162.908 -1.546 15.344 1.00 0.00 C ATOM 278 OE1 GLU A 96 162.984 -0.397 15.744 1.00 0.00 O ATOM 279 OE2 GLU A 96 162.251 -2.416 15.890 1.00 0.00 O ATOM 0 H GLU A 96 164.725 -0.734 11.651 1.00 0.00 H new ATOM 0 HA GLU A 96 164.088 0.799 14.149 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.734 -1.703 13.423 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.453 -1.156 15.064 1.00 0.00 H new ATOM 0 HG2 GLU A 96 163.105 -1.666 13.194 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.856 -2.997 14.051 1.00 0.00 H new ATOM 286 N SER A 97 166.456 1.768 12.573 1.00 0.00 N ATOM 287 CA SER A 97 167.697 2.612 12.543 1.00 0.00 C ATOM 288 C SER A 97 168.915 1.964 13.223 1.00 0.00 C ATOM 289 O SER A 97 169.696 2.646 13.862 1.00 0.00 O ATOM 290 CB SER A 97 167.308 3.895 13.273 1.00 0.00 C ATOM 291 OG SER A 97 167.253 3.643 14.671 1.00 0.00 O ATOM 0 H SER A 97 165.902 1.812 11.718 1.00 0.00 H new ATOM 0 HA SER A 97 168.015 2.769 11.512 1.00 0.00 H new ATOM 0 HB2 SER A 97 168.033 4.681 13.062 1.00 0.00 H new ATOM 0 HB3 SER A 97 166.341 4.250 12.918 1.00 0.00 H new ATOM 0 HG SER A 97 167.411 2.690 14.838 1.00 0.00 H new ATOM 297 N THR A 98 169.091 0.668 13.098 1.00 0.00 N ATOM 298 CA THR A 98 170.274 0.021 13.753 1.00 0.00 C ATOM 299 C THR A 98 171.561 0.570 13.130 1.00 0.00 C ATOM 300 O THR A 98 172.561 0.749 13.800 1.00 0.00 O ATOM 301 CB THR A 98 170.136 -1.480 13.473 1.00 0.00 C ATOM 302 OG1 THR A 98 170.182 -1.707 12.070 1.00 0.00 O ATOM 303 CG2 THR A 98 168.808 -1.991 14.037 1.00 0.00 C ATOM 0 H THR A 98 168.477 0.039 12.580 1.00 0.00 H new ATOM 0 HA THR A 98 170.315 0.218 14.824 1.00 0.00 H new ATOM 0 HB THR A 98 170.956 -2.014 13.952 1.00 0.00 H new ATOM 0 HG1 THR A 98 170.096 -2.667 11.891 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.714 -3.058 13.836 1.00 0.00 H new ATOM 0 HG22 THR A 98 168.780 -1.821 15.113 1.00 0.00 H new ATOM 0 HG23 THR A 98 167.983 -1.458 13.564 1.00 0.00 H new ATOM 311 N GLY A 99 171.531 0.853 11.852 1.00 0.00 N ATOM 312 CA GLY A 99 172.737 1.410 11.172 1.00 0.00 C ATOM 313 C GLY A 99 173.562 0.294 10.512 1.00 0.00 C ATOM 314 O GLY A 99 174.691 0.516 10.115 1.00 0.00 O ATOM 0 H GLY A 99 170.719 0.721 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.431 2.135 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.353 1.943 11.896 1.00 0.00 H new ATOM 318 N LYS A 100 173.022 -0.897 10.392 1.00 0.00 N ATOM 319 CA LYS A 100 173.797 -2.009 9.758 1.00 0.00 C ATOM 320 C LYS A 100 172.937 -2.739 8.720 1.00 0.00 C ATOM 321 O LYS A 100 171.723 -2.746 8.809 1.00 0.00 O ATOM 322 CB LYS A 100 174.144 -2.949 10.912 1.00 0.00 C ATOM 323 CG LYS A 100 175.151 -2.270 11.842 1.00 0.00 C ATOM 324 CD LYS A 100 176.504 -2.158 11.136 1.00 0.00 C ATOM 325 CE LYS A 100 177.599 -1.884 12.170 1.00 0.00 C ATOM 326 NZ LYS A 100 177.860 -3.201 12.813 1.00 0.00 N ATOM 0 H LYS A 100 172.083 -1.145 10.704 1.00 0.00 H new ATOM 0 HA LYS A 100 174.683 -1.647 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.242 -3.211 11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.561 -3.878 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 100 174.792 -1.280 12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 100 175.256 -2.844 12.763 1.00 0.00 H new ATOM 0 HD2 LYS A 100 176.722 -3.079 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.476 -1.355 10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 100 178.499 -1.490 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 100 177.274 -1.145 12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 177.833 -3.094 13.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 177.132 -3.882 12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 178.797 -3.548 12.525 1.00 0.00 H new ATOM 340 N VAL A 101 173.554 -3.366 7.748 1.00 0.00 N ATOM 341 CA VAL A 101 172.770 -4.114 6.716 1.00 0.00 C ATOM 342 C VAL A 101 173.600 -5.286 6.180 1.00 0.00 C ATOM 343 O VAL A 101 174.809 -5.303 6.299 1.00 0.00 O ATOM 344 CB VAL A 101 172.464 -3.104 5.602 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.592 -1.977 6.156 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.773 -2.516 5.064 1.00 0.00 C ATOM 0 H VAL A 101 174.566 -3.392 7.625 1.00 0.00 H new ATOM 0 HA VAL A 101 171.850 -4.532 7.126 1.00 0.00 H new ATOM 0 HB VAL A 101 171.935 -3.611 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.376 -1.261 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.658 -2.392 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.120 -1.473 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.552 -1.799 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.305 -2.013 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.395 -3.317 4.664 1.00 0.00 H new ATOM 356 N SER A 102 172.957 -6.257 5.583 1.00 0.00 N ATOM 357 CA SER A 102 173.700 -7.429 5.025 1.00 0.00 C ATOM 358 C SER A 102 174.241 -7.094 3.634 1.00 0.00 C ATOM 359 O SER A 102 173.621 -6.369 2.879 1.00 0.00 O ATOM 360 CB SER A 102 172.660 -8.545 4.932 1.00 0.00 C ATOM 361 OG SER A 102 171.468 -8.029 4.353 1.00 0.00 O ATOM 0 H SER A 102 171.945 -6.289 5.457 1.00 0.00 H new ATOM 0 HA SER A 102 174.552 -7.711 5.643 1.00 0.00 H new ATOM 0 HB2 SER A 102 173.045 -9.367 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.452 -8.947 5.923 1.00 0.00 H new ATOM 0 HG SER A 102 170.799 -8.743 4.290 1.00 0.00 H new ATOM 367 N VAL A 103 175.393 -7.613 3.291 1.00 0.00 N ATOM 368 CA VAL A 103 175.983 -7.323 1.943 1.00 0.00 C ATOM 369 C VAL A 103 175.011 -7.729 0.826 1.00 0.00 C ATOM 370 O VAL A 103 174.888 -7.043 -0.171 1.00 0.00 O ATOM 371 CB VAL A 103 177.271 -8.156 1.877 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.942 -9.645 2.016 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.972 -7.913 0.536 1.00 0.00 C ATOM 0 H VAL A 103 175.953 -8.225 3.884 1.00 0.00 H new ATOM 0 HA VAL A 103 176.182 -6.260 1.807 1.00 0.00 H new ATOM 0 HB VAL A 103 177.928 -7.857 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.862 -10.227 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.451 -9.821 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.278 -9.948 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.886 -8.505 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.310 -8.205 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.219 -6.856 0.441 1.00 0.00 H new ATOM 383 N GLY A 104 174.326 -8.836 0.980 1.00 0.00 N ATOM 384 CA GLY A 104 173.369 -9.284 -0.078 1.00 0.00 C ATOM 385 C GLY A 104 172.298 -8.214 -0.306 1.00 0.00 C ATOM 386 O GLY A 104 171.922 -7.928 -1.427 1.00 0.00 O ATOM 0 H GLY A 104 174.389 -9.448 1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.906 -9.476 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.900 -10.222 0.219 1.00 0.00 H new ATOM 390 N ASP A 105 171.814 -7.616 0.754 1.00 0.00 N ATOM 391 CA ASP A 105 170.774 -6.554 0.616 1.00 0.00 C ATOM 392 C ASP A 105 171.421 -5.220 0.242 1.00 0.00 C ATOM 393 O ASP A 105 170.896 -4.468 -0.557 1.00 0.00 O ATOM 394 CB ASP A 105 170.110 -6.464 1.991 1.00 0.00 C ATOM 395 CG ASP A 105 168.861 -5.583 1.903 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.872 -4.649 1.117 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.915 -5.856 2.624 1.00 0.00 O ATOM 0 H ASP A 105 172.097 -7.820 1.713 1.00 0.00 H new ATOM 0 HA ASP A 105 170.054 -6.785 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.840 -7.460 2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.809 -6.049 2.717 1.00 0.00 H new ATOM 402 N LEU A 106 172.552 -4.920 0.828 1.00 0.00 N ATOM 403 CA LEU A 106 173.242 -3.628 0.525 1.00 0.00 C ATOM 404 C LEU A 106 173.583 -3.549 -0.967 1.00 0.00 C ATOM 405 O LEU A 106 173.297 -2.562 -1.620 1.00 0.00 O ATOM 406 CB LEU A 106 174.520 -3.650 1.375 1.00 0.00 C ATOM 407 CG LEU A 106 175.352 -2.384 1.115 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.914 -1.855 2.436 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.510 -2.718 0.171 1.00 0.00 C ATOM 0 H LEU A 106 173.029 -5.515 1.505 1.00 0.00 H new ATOM 0 HA LEU A 106 172.620 -2.762 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.261 -3.713 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.109 -4.536 1.137 1.00 0.00 H new ATOM 0 HG LEU A 106 174.716 -1.624 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.503 -0.958 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.092 -1.615 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.547 -2.616 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 106 177.100 -1.820 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 106 177.142 -3.480 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 106 176.114 -3.092 -0.773 1.00 0.00 H new ATOM 421 N ARG A 107 174.198 -4.569 -1.506 1.00 0.00 N ATOM 422 CA ARG A 107 174.566 -4.539 -2.953 1.00 0.00 C ATOM 423 C ARG A 107 173.310 -4.504 -3.826 1.00 0.00 C ATOM 424 O ARG A 107 173.327 -3.974 -4.922 1.00 0.00 O ATOM 425 CB ARG A 107 175.372 -5.819 -3.201 1.00 0.00 C ATOM 426 CG ARG A 107 176.227 -5.657 -4.461 1.00 0.00 C ATOM 427 CD ARG A 107 176.832 -7.008 -4.844 1.00 0.00 C ATOM 428 NE ARG A 107 175.705 -7.784 -5.431 1.00 0.00 N ATOM 429 CZ ARG A 107 175.926 -8.615 -6.413 1.00 0.00 C ATOM 430 NH1 ARG A 107 176.373 -9.816 -6.162 1.00 0.00 N ATOM 431 NH2 ARG A 107 175.703 -8.246 -7.644 1.00 0.00 N ATOM 0 H ARG A 107 174.461 -5.420 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 107 175.144 -3.650 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 107 176.009 -6.030 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.698 -6.668 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.618 -5.274 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.019 -4.929 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.644 -6.887 -5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 107 177.249 -7.515 -3.973 1.00 0.00 H new ATOM 0 HE ARG A 107 174.760 -7.666 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 107 176.549 -10.104 -5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 107 176.546 -10.466 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 107 175.356 -7.307 -7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 107 175.876 -8.896 -8.411 1.00 0.00 H new ATOM 445 N TYR A 108 172.225 -5.076 -3.359 1.00 0.00 N ATOM 446 CA TYR A 108 170.978 -5.083 -4.182 1.00 0.00 C ATOM 447 C TYR A 108 170.396 -3.670 -4.299 1.00 0.00 C ATOM 448 O TYR A 108 170.046 -3.230 -5.378 1.00 0.00 O ATOM 449 CB TYR A 108 170.008 -6.019 -3.459 1.00 0.00 C ATOM 450 CG TYR A 108 168.820 -6.297 -4.348 1.00 0.00 C ATOM 451 CD1 TYR A 108 167.698 -5.462 -4.300 1.00 0.00 C ATOM 452 CD2 TYR A 108 168.842 -7.390 -5.222 1.00 0.00 C ATOM 453 CE1 TYR A 108 166.597 -5.721 -5.126 1.00 0.00 C ATOM 454 CE2 TYR A 108 167.741 -7.650 -6.048 1.00 0.00 C ATOM 455 CZ TYR A 108 166.620 -6.814 -6.000 1.00 0.00 C ATOM 456 OH TYR A 108 165.534 -7.070 -6.814 1.00 0.00 O ATOM 0 H TYR A 108 172.151 -5.534 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 108 171.171 -5.421 -5.200 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.510 -6.952 -3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.678 -5.566 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 108 167.681 -4.618 -3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 108 169.709 -8.033 -5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 108 165.730 -5.077 -5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 108 167.757 -8.495 -6.721 1.00 0.00 H new ATOM 0 HH TYR A 108 165.714 -7.864 -7.359 1.00 0.00 H new ATOM 466 N MET A 109 170.275 -2.960 -3.200 1.00 0.00 N ATOM 467 CA MET A 109 169.695 -1.585 -3.267 1.00 0.00 C ATOM 468 C MET A 109 170.619 -0.656 -4.037 1.00 0.00 C ATOM 469 O MET A 109 170.162 0.163 -4.813 1.00 0.00 O ATOM 470 CB MET A 109 169.562 -1.127 -1.819 1.00 0.00 C ATOM 471 CG MET A 109 168.166 -1.483 -1.296 1.00 0.00 C ATOM 472 SD MET A 109 167.290 0.020 -0.776 1.00 0.00 S ATOM 473 CE MET A 109 167.473 0.947 -2.324 1.00 0.00 C ATOM 0 H MET A 109 170.551 -3.272 -2.269 1.00 0.00 H new ATOM 0 HA MET A 109 168.735 -1.576 -3.783 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.325 -1.604 -1.204 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.724 -0.051 -1.750 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.598 -1.994 -2.073 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.249 -2.173 -0.457 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.623 1.618 -2.449 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.394 1.530 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.512 0.251 -3.162 1.00 0.00 H new ATOM 483 N LEU A 110 171.913 -0.770 -3.852 1.00 0.00 N ATOM 484 CA LEU A 110 172.850 0.119 -4.609 1.00 0.00 C ATOM 485 C LEU A 110 172.564 -0.040 -6.104 1.00 0.00 C ATOM 486 O LEU A 110 172.453 0.921 -6.840 1.00 0.00 O ATOM 487 CB LEU A 110 174.253 -0.390 -4.268 1.00 0.00 C ATOM 488 CG LEU A 110 175.215 0.792 -4.135 1.00 0.00 C ATOM 489 CD1 LEU A 110 175.006 1.472 -2.780 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.656 0.289 -4.234 1.00 0.00 C ATOM 0 H LEU A 110 172.357 -1.433 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 110 172.744 1.174 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.228 -0.957 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.602 -1.069 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 110 175.022 1.508 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.692 2.314 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 110 173.979 1.830 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.198 0.757 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.342 1.130 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.847 -0.427 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.807 -0.195 -5.199 1.00 0.00 H new ATOM 502 N THR A 111 172.406 -1.265 -6.533 1.00 0.00 N ATOM 503 CA THR A 111 172.093 -1.532 -7.971 1.00 0.00 C ATOM 504 C THR A 111 170.775 -0.849 -8.358 1.00 0.00 C ATOM 505 O THR A 111 170.566 -0.466 -9.494 1.00 0.00 O ATOM 506 CB THR A 111 171.949 -3.053 -8.071 1.00 0.00 C ATOM 507 OG1 THR A 111 173.079 -3.674 -7.474 1.00 0.00 O ATOM 508 CG2 THR A 111 171.856 -3.464 -9.541 1.00 0.00 C ATOM 0 H THR A 111 172.480 -2.097 -5.947 1.00 0.00 H new ATOM 0 HA THR A 111 172.865 -1.149 -8.639 1.00 0.00 H new ATOM 0 HB THR A 111 171.044 -3.367 -7.551 1.00 0.00 H new ATOM 0 HG1 THR A 111 172.827 -4.042 -6.601 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.754 -4.547 -9.610 1.00 0.00 H new ATOM 0 HG22 THR A 111 170.989 -2.988 -9.998 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.759 -3.151 -10.064 1.00 0.00 H new ATOM 516 N GLY A 112 169.900 -0.672 -7.402 1.00 0.00 N ATOM 517 CA GLY A 112 168.599 0.008 -7.658 1.00 0.00 C ATOM 518 C GLY A 112 168.751 1.531 -7.505 1.00 0.00 C ATOM 519 O GLY A 112 167.879 2.290 -7.882 1.00 0.00 O ATOM 0 H GLY A 112 170.037 -0.976 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.248 -0.230 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.846 -0.360 -6.962 1.00 0.00 H new ATOM 523 N LEU A 113 169.833 1.976 -6.912 1.00 0.00 N ATOM 524 CA LEU A 113 170.044 3.438 -6.674 1.00 0.00 C ATOM 525 C LEU A 113 170.870 4.098 -7.792 1.00 0.00 C ATOM 526 O LEU A 113 171.279 5.237 -7.663 1.00 0.00 O ATOM 527 CB LEU A 113 170.826 3.492 -5.354 1.00 0.00 C ATOM 528 CG LEU A 113 170.311 4.631 -4.459 1.00 0.00 C ATOM 529 CD1 LEU A 113 170.454 5.976 -5.177 1.00 0.00 C ATOM 530 CD2 LEU A 113 168.839 4.393 -4.114 1.00 0.00 C ATOM 0 H LEU A 113 170.589 1.379 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 113 169.096 3.975 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.730 2.541 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 113 171.886 3.637 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 113 170.902 4.651 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.086 6.774 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 113 171.504 6.154 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 113 169.875 5.959 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 113 168.478 5.203 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 113 168.251 4.361 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 113 168.738 3.445 -3.585 1.00 0.00 H new ATOM 542 N GLY A 114 171.148 3.406 -8.868 1.00 0.00 N ATOM 543 CA GLY A 114 171.980 4.014 -9.956 1.00 0.00 C ATOM 544 C GLY A 114 173.398 3.445 -9.859 1.00 0.00 C ATOM 545 O GLY A 114 174.371 4.100 -10.179 1.00 0.00 O ATOM 0 H GLY A 114 170.837 2.450 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.549 3.791 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.000 5.099 -9.856 1.00 0.00 H new ATOM 549 N GLU A 115 173.501 2.213 -9.442 1.00 0.00 N ATOM 550 CA GLU A 115 174.836 1.554 -9.344 1.00 0.00 C ATOM 551 C GLU A 115 174.935 0.405 -10.347 1.00 0.00 C ATOM 552 O GLU A 115 174.182 -0.548 -10.278 1.00 0.00 O ATOM 553 CB GLU A 115 174.927 1.020 -7.916 1.00 0.00 C ATOM 554 CG GLU A 115 176.389 0.726 -7.574 1.00 0.00 C ATOM 555 CD GLU A 115 177.112 2.036 -7.255 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.819 2.614 -6.221 1.00 0.00 O ATOM 557 OE2 GLU A 115 177.945 2.439 -8.050 1.00 0.00 O ATOM 0 H GLU A 115 172.712 1.630 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 115 175.646 2.248 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.518 1.750 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.330 0.114 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 115 176.445 0.050 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 115 176.875 0.224 -8.410 1.00 0.00 H new ATOM 564 N LYS A 116 175.872 0.466 -11.257 1.00 0.00 N ATOM 565 CA LYS A 116 176.030 -0.650 -12.233 1.00 0.00 C ATOM 566 C LYS A 116 177.443 -1.215 -12.126 1.00 0.00 C ATOM 567 O LYS A 116 178.196 -1.261 -13.079 1.00 0.00 O ATOM 568 CB LYS A 116 175.729 -0.079 -13.619 1.00 0.00 C ATOM 569 CG LYS A 116 174.220 0.126 -13.769 1.00 0.00 C ATOM 570 CD LYS A 116 173.916 0.698 -15.156 1.00 0.00 C ATOM 571 CE LYS A 116 172.398 0.834 -15.341 1.00 0.00 C ATOM 572 NZ LYS A 116 172.167 2.280 -15.619 1.00 0.00 N ATOM 0 H LYS A 116 176.531 1.237 -11.366 1.00 0.00 H new ATOM 0 HA LYS A 116 175.346 -1.475 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.251 0.868 -13.755 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.093 -0.757 -14.391 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.699 -0.821 -13.633 1.00 0.00 H new ATOM 0 HG3 LYS A 116 173.856 0.804 -12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.394 1.671 -15.271 1.00 0.00 H new ATOM 0 HD3 LYS A 116 174.329 0.047 -15.927 1.00 0.00 H new ATOM 0 HE2 LYS A 116 172.044 0.213 -16.164 1.00 0.00 H new ATOM 0 HE3 LYS A 116 171.862 0.514 -14.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 171.150 2.449 -15.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 172.507 2.847 -14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 172.683 2.555 -16.479 1.00 0.00 H new ATOM 586 N LEU A 117 177.775 -1.682 -10.955 1.00 0.00 N ATOM 587 CA LEU A 117 179.103 -2.303 -10.708 1.00 0.00 C ATOM 588 C LEU A 117 178.997 -3.801 -10.989 1.00 0.00 C ATOM 589 O LEU A 117 177.959 -4.401 -10.778 1.00 0.00 O ATOM 590 CB LEU A 117 179.397 -2.050 -9.228 1.00 0.00 C ATOM 591 CG LEU A 117 179.448 -0.543 -8.963 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.424 -0.289 -7.454 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.735 0.037 -9.556 1.00 0.00 C ATOM 0 H LEU A 117 177.164 -1.658 -10.139 1.00 0.00 H new ATOM 0 HA LEU A 117 179.892 -1.896 -11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.627 -2.512 -8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.346 -2.510 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 117 178.586 -0.064 -9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.460 0.784 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 117 178.508 -0.701 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.286 -0.768 -6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 117 180.771 1.110 -9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.597 -0.442 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.754 -0.143 -10.631 1.00 0.00 H new ATOM 605 N THR A 118 180.058 -4.414 -11.440 1.00 0.00 N ATOM 606 CA THR A 118 180.016 -5.881 -11.707 1.00 0.00 C ATOM 607 C THR A 118 180.894 -6.604 -10.687 1.00 0.00 C ATOM 608 O THR A 118 181.903 -6.069 -10.274 1.00 0.00 O ATOM 609 CB THR A 118 180.578 -6.047 -13.117 1.00 0.00 C ATOM 610 OG1 THR A 118 180.002 -5.071 -13.974 1.00 0.00 O ATOM 611 CG2 THR A 118 180.247 -7.447 -13.638 1.00 0.00 C ATOM 0 H THR A 118 180.952 -3.963 -11.635 1.00 0.00 H new ATOM 0 HA THR A 118 179.011 -6.296 -11.628 1.00 0.00 H new ATOM 0 HB THR A 118 181.660 -5.917 -13.095 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.364 -5.176 -14.879 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.648 -7.565 -14.645 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.691 -8.194 -12.980 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.165 -7.580 -13.661 1.00 0.00 H new ATOM 619 N ASP A 119 180.513 -7.785 -10.237 1.00 0.00 N ATOM 620 CA ASP A 119 181.323 -8.524 -9.197 1.00 0.00 C ATOM 621 C ASP A 119 182.840 -8.414 -9.433 1.00 0.00 C ATOM 622 O ASP A 119 183.616 -8.457 -8.497 1.00 0.00 O ATOM 623 CB ASP A 119 180.877 -9.981 -9.318 1.00 0.00 C ATOM 624 CG ASP A 119 181.445 -10.788 -8.149 1.00 0.00 C ATOM 625 OD1 ASP A 119 181.478 -10.258 -7.050 1.00 0.00 O ATOM 626 OD2 ASP A 119 181.837 -11.922 -8.372 1.00 0.00 O ATOM 0 H ASP A 119 179.672 -8.272 -10.546 1.00 0.00 H new ATOM 0 HA ASP A 119 181.153 -8.102 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.789 -10.040 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.220 -10.400 -10.264 1.00 0.00 H new ATOM 631 N ALA A 120 183.263 -8.226 -10.659 1.00 0.00 N ATOM 632 CA ALA A 120 184.723 -8.058 -10.924 1.00 0.00 C ATOM 633 C ALA A 120 185.190 -6.753 -10.268 1.00 0.00 C ATOM 634 O ALA A 120 186.141 -6.734 -9.511 1.00 0.00 O ATOM 635 CB ALA A 120 184.855 -7.973 -12.446 1.00 0.00 C ATOM 0 H ALA A 120 182.663 -8.182 -11.483 1.00 0.00 H new ATOM 0 HA ALA A 120 185.326 -8.873 -10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.904 -7.849 -12.714 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.472 -8.889 -12.896 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.283 -7.121 -12.814 1.00 0.00 H new ATOM 641 N GLU A 121 184.513 -5.664 -10.544 1.00 0.00 N ATOM 642 CA GLU A 121 184.890 -4.349 -9.936 1.00 0.00 C ATOM 643 C GLU A 121 184.458 -4.291 -8.465 1.00 0.00 C ATOM 644 O GLU A 121 185.048 -3.595 -7.661 1.00 0.00 O ATOM 645 CB GLU A 121 184.140 -3.297 -10.756 1.00 0.00 C ATOM 646 CG GLU A 121 184.894 -3.033 -12.062 1.00 0.00 C ATOM 647 CD GLU A 121 184.597 -4.155 -13.058 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.467 -4.611 -13.088 1.00 0.00 O ATOM 649 OE2 GLU A 121 185.507 -4.538 -13.776 1.00 0.00 O ATOM 0 H GLU A 121 183.708 -5.630 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 121 185.968 -4.188 -9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.129 -3.642 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.047 -2.374 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 121 184.594 -2.072 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 121 185.966 -2.976 -11.871 1.00 0.00 H new ATOM 656 N VAL A 122 183.416 -5.002 -8.116 1.00 0.00 N ATOM 657 CA VAL A 122 182.933 -4.993 -6.700 1.00 0.00 C ATOM 658 C VAL A 122 183.797 -5.923 -5.835 1.00 0.00 C ATOM 659 O VAL A 122 184.012 -5.659 -4.667 1.00 0.00 O ATOM 660 CB VAL A 122 181.486 -5.500 -6.756 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.879 -5.486 -5.348 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.656 -4.592 -7.667 1.00 0.00 C ATOM 0 H VAL A 122 182.877 -5.590 -8.752 1.00 0.00 H new ATOM 0 HA VAL A 122 182.994 -3.999 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 122 181.481 -6.517 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.851 -5.847 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.463 -6.133 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 122 180.890 -4.469 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.629 -4.955 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.667 -3.575 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.080 -4.599 -8.671 1.00 0.00 H new ATOM 672 N ASP A 123 184.285 -7.012 -6.388 1.00 0.00 N ATOM 673 CA ASP A 123 185.123 -7.950 -5.572 1.00 0.00 C ATOM 674 C ASP A 123 186.436 -7.270 -5.163 1.00 0.00 C ATOM 675 O ASP A 123 186.836 -7.335 -4.015 1.00 0.00 O ATOM 676 CB ASP A 123 185.376 -9.168 -6.463 1.00 0.00 C ATOM 677 CG ASP A 123 186.199 -10.205 -5.694 1.00 0.00 C ATOM 678 OD1 ASP A 123 186.004 -10.315 -4.494 1.00 0.00 O ATOM 679 OD2 ASP A 123 187.009 -10.870 -6.317 1.00 0.00 O ATOM 0 H ASP A 123 184.141 -7.289 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 123 184.626 -8.243 -4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.428 -9.603 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.905 -8.866 -7.367 1.00 0.00 H new ATOM 684 N GLU A 124 187.096 -6.593 -6.076 1.00 0.00 N ATOM 685 CA GLU A 124 188.367 -5.879 -5.712 1.00 0.00 C ATOM 686 C GLU A 124 188.102 -4.898 -4.563 1.00 0.00 C ATOM 687 O GLU A 124 188.879 -4.798 -3.632 1.00 0.00 O ATOM 688 CB GLU A 124 188.814 -5.131 -6.983 1.00 0.00 C ATOM 689 CG GLU A 124 187.717 -4.202 -7.499 1.00 0.00 C ATOM 690 CD GLU A 124 188.193 -3.520 -8.783 1.00 0.00 C ATOM 691 OE1 GLU A 124 188.247 -4.190 -9.801 1.00 0.00 O ATOM 692 OE2 GLU A 124 188.498 -2.341 -8.726 1.00 0.00 O ATOM 0 H GLU A 124 186.813 -6.504 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 124 189.141 -6.569 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 124 189.712 -4.552 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.076 -5.852 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 124 186.806 -4.768 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 124 187.474 -3.453 -6.745 1.00 0.00 H new ATOM 699 N LEU A 125 187.004 -4.183 -4.617 1.00 0.00 N ATOM 700 CA LEU A 125 186.673 -3.217 -3.526 1.00 0.00 C ATOM 701 C LEU A 125 186.451 -3.976 -2.217 1.00 0.00 C ATOM 702 O LEU A 125 186.972 -3.620 -1.177 1.00 0.00 O ATOM 703 CB LEU A 125 185.369 -2.550 -3.972 1.00 0.00 C ATOM 704 CG LEU A 125 185.640 -1.656 -5.183 1.00 0.00 C ATOM 705 CD1 LEU A 125 184.316 -1.122 -5.730 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.527 -0.484 -4.761 1.00 0.00 C ATOM 0 H LEU A 125 186.321 -4.228 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 125 187.469 -2.491 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.628 -3.309 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.953 -1.959 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 125 186.145 -2.235 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 125 184.509 -0.485 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 125 183.683 -1.957 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 125 183.810 -0.543 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 125 186.721 0.154 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 125 186.022 0.095 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 125 187.471 -0.864 -4.371 1.00 0.00 H new ATOM 718 N LEU A 126 185.677 -5.028 -2.277 1.00 0.00 N ATOM 719 CA LEU A 126 185.398 -5.844 -1.055 1.00 0.00 C ATOM 720 C LEU A 126 186.691 -6.429 -0.476 1.00 0.00 C ATOM 721 O LEU A 126 186.728 -6.869 0.657 1.00 0.00 O ATOM 722 CB LEU A 126 184.488 -6.977 -1.534 1.00 0.00 C ATOM 723 CG LEU A 126 183.065 -6.450 -1.710 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.220 -7.506 -2.420 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.457 -6.151 -0.337 1.00 0.00 C ATOM 0 H LEU A 126 185.222 -5.361 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 126 184.943 -5.241 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.857 -7.380 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.498 -7.794 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 126 183.085 -5.537 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.204 -7.133 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.653 -7.722 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.200 -8.418 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.442 -5.775 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.435 -7.064 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 126 183.061 -5.401 0.173 1.00 0.00 H new ATOM 737 N LYS A 127 187.742 -6.469 -1.261 1.00 0.00 N ATOM 738 CA LYS A 127 189.027 -7.064 -0.776 1.00 0.00 C ATOM 739 C LYS A 127 189.510 -6.366 0.499 1.00 0.00 C ATOM 740 O LYS A 127 190.288 -6.915 1.256 1.00 0.00 O ATOM 741 CB LYS A 127 190.023 -6.814 -1.912 1.00 0.00 C ATOM 742 CG LYS A 127 191.322 -7.572 -1.627 1.00 0.00 C ATOM 743 CD LYS A 127 192.280 -7.407 -2.810 1.00 0.00 C ATOM 744 CE LYS A 127 193.579 -8.166 -2.529 1.00 0.00 C ATOM 745 NZ LYS A 127 193.908 -8.853 -3.809 1.00 0.00 N ATOM 0 H LYS A 127 187.765 -6.115 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 127 188.915 -8.121 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.599 -7.142 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 127 190.225 -5.747 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.784 -7.193 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 127 191.110 -8.628 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.817 -7.784 -3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.493 -6.351 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 127 194.377 -7.486 -2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 127 193.450 -8.883 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 194.788 -9.395 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 193.134 -9.499 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 194.032 -8.145 -4.561 1.00 0.00 H new ATOM 759 N GLY A 128 189.057 -5.158 0.739 1.00 0.00 N ATOM 760 CA GLY A 128 189.490 -4.422 1.961 1.00 0.00 C ATOM 761 C GLY A 128 188.281 -4.133 2.855 1.00 0.00 C ATOM 762 O GLY A 128 188.286 -3.190 3.624 1.00 0.00 O ATOM 0 H GLY A 128 188.406 -4.653 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.225 -5.011 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.976 -3.488 1.680 1.00 0.00 H new ATOM 766 N VAL A 129 187.249 -4.939 2.771 1.00 0.00 N ATOM 767 CA VAL A 129 186.047 -4.709 3.630 1.00 0.00 C ATOM 768 C VAL A 129 185.980 -5.782 4.721 1.00 0.00 C ATOM 769 O VAL A 129 186.098 -6.965 4.467 1.00 0.00 O ATOM 770 CB VAL A 129 184.842 -4.782 2.689 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.552 -4.565 3.484 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.965 -3.692 1.622 1.00 0.00 C ATOM 0 H VAL A 129 187.188 -5.743 2.146 1.00 0.00 H new ATOM 0 HA VAL A 129 186.076 -3.746 4.139 1.00 0.00 H new ATOM 0 HB VAL A 129 184.815 -5.763 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.696 -4.618 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.461 -5.337 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.579 -3.585 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 129 184.108 -3.742 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 129 184.993 -2.714 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.882 -3.843 1.052 1.00 0.00 H new ATOM 782 N GLU A 130 185.814 -5.348 5.942 1.00 0.00 N ATOM 783 CA GLU A 130 185.763 -6.294 7.095 1.00 0.00 C ATOM 784 C GLU A 130 184.324 -6.576 7.541 1.00 0.00 C ATOM 785 O GLU A 130 183.716 -5.798 8.250 1.00 0.00 O ATOM 786 CB GLU A 130 186.527 -5.578 8.210 1.00 0.00 C ATOM 787 CG GLU A 130 186.666 -6.513 9.416 1.00 0.00 C ATOM 788 CD GLU A 130 187.434 -5.808 10.541 1.00 0.00 C ATOM 789 OE1 GLU A 130 188.176 -4.884 10.246 1.00 0.00 O ATOM 790 OE2 GLU A 130 187.272 -6.211 11.681 1.00 0.00 O ATOM 0 H GLU A 130 185.710 -4.365 6.193 1.00 0.00 H new ATOM 0 HA GLU A 130 186.190 -7.262 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.512 -5.276 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 130 186.001 -4.669 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.680 -6.812 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.189 -7.423 9.122 1.00 0.00 H new ATOM 797 N VAL A 131 183.803 -7.712 7.158 1.00 0.00 N ATOM 798 CA VAL A 131 182.428 -8.103 7.578 1.00 0.00 C ATOM 799 C VAL A 131 182.504 -8.747 8.967 1.00 0.00 C ATOM 800 O VAL A 131 183.553 -9.200 9.387 1.00 0.00 O ATOM 801 CB VAL A 131 181.958 -9.114 6.522 1.00 0.00 C ATOM 802 CG1 VAL A 131 182.895 -10.335 6.490 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.539 -9.565 6.862 1.00 0.00 C ATOM 0 H VAL A 131 184.279 -8.392 6.565 1.00 0.00 H new ATOM 0 HA VAL A 131 181.740 -7.260 7.644 1.00 0.00 H new ATOM 0 HB VAL A 131 181.974 -8.640 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.547 -11.041 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 131 183.906 -10.011 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.896 -10.819 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.197 -10.283 6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.532 -10.032 7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 131 179.874 -8.702 6.865 1.00 0.00 H new ATOM 813 N ASP A 132 181.414 -8.770 9.690 1.00 0.00 N ATOM 814 CA ASP A 132 181.435 -9.362 11.061 1.00 0.00 C ATOM 815 C ASP A 132 180.968 -10.821 11.044 1.00 0.00 C ATOM 816 O ASP A 132 180.682 -11.386 10.007 1.00 0.00 O ATOM 817 CB ASP A 132 180.464 -8.503 11.872 1.00 0.00 C ATOM 818 CG ASP A 132 181.039 -7.095 12.032 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.237 -6.984 12.230 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.270 -6.151 11.955 1.00 0.00 O ATOM 0 H ASP A 132 180.510 -8.404 9.390 1.00 0.00 H new ATOM 0 HA ASP A 132 182.441 -9.368 11.481 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.497 -8.458 11.371 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.295 -8.952 12.851 1.00 0.00 H new ATOM 825 N SER A 133 180.903 -11.426 12.203 1.00 0.00 N ATOM 826 CA SER A 133 180.465 -12.854 12.300 1.00 0.00 C ATOM 827 C SER A 133 178.956 -13.008 12.040 1.00 0.00 C ATOM 828 O SER A 133 178.439 -14.110 12.041 1.00 0.00 O ATOM 829 CB SER A 133 180.801 -13.272 13.731 1.00 0.00 C ATOM 830 OG SER A 133 182.163 -13.674 13.796 1.00 0.00 O ATOM 0 H SER A 133 181.136 -10.989 13.094 1.00 0.00 H new ATOM 0 HA SER A 133 180.963 -13.472 11.552 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.622 -12.443 14.416 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.153 -14.090 14.045 1.00 0.00 H new ATOM 0 HG SER A 133 182.382 -13.941 14.713 1.00 0.00 H new ATOM 836 N ASN A 134 178.245 -11.928 11.800 1.00 0.00 N ATOM 837 CA ASN A 134 176.782 -12.034 11.522 1.00 0.00 C ATOM 838 C ASN A 134 176.496 -11.749 10.040 1.00 0.00 C ATOM 839 O ASN A 134 175.426 -12.047 9.544 1.00 0.00 O ATOM 840 CB ASN A 134 176.126 -10.979 12.415 1.00 0.00 C ATOM 841 CG ASN A 134 174.652 -11.332 12.630 1.00 0.00 C ATOM 842 OD1 ASN A 134 174.269 -12.480 12.524 1.00 0.00 O ATOM 843 ND2 ASN A 134 173.805 -10.387 12.932 1.00 0.00 N ATOM 0 H ASN A 134 178.619 -10.979 11.786 1.00 0.00 H new ATOM 0 HA ASN A 134 176.397 -13.033 11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.642 -10.928 13.374 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.211 -9.995 11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 134 172.821 -10.612 13.079 1.00 0.00 H new ATOM 0 HD22 ASN A 134 174.127 -9.423 13.021 1.00 0.00 H new ATOM 850 N GLY A 135 177.443 -11.180 9.329 1.00 0.00 N ATOM 851 CA GLY A 135 177.225 -10.884 7.883 1.00 0.00 C ATOM 852 C GLY A 135 176.670 -9.468 7.722 1.00 0.00 C ATOM 853 O GLY A 135 175.934 -9.182 6.796 1.00 0.00 O ATOM 0 H GLY A 135 178.357 -10.909 9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.163 -10.981 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.531 -11.607 7.455 1.00 0.00 H new ATOM 857 N GLU A 136 177.007 -8.585 8.630 1.00 0.00 N ATOM 858 CA GLU A 136 176.489 -7.187 8.546 1.00 0.00 C ATOM 859 C GLU A 136 177.611 -6.201 8.211 1.00 0.00 C ATOM 860 O GLU A 136 178.677 -6.229 8.795 1.00 0.00 O ATOM 861 CB GLU A 136 175.914 -6.896 9.934 1.00 0.00 C ATOM 862 CG GLU A 136 174.643 -7.724 10.145 1.00 0.00 C ATOM 863 CD GLU A 136 174.055 -7.443 11.534 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.790 -6.977 12.392 1.00 0.00 O ATOM 865 OE2 GLU A 136 172.878 -7.706 11.718 1.00 0.00 O ATOM 0 H GLU A 136 177.618 -8.773 9.425 1.00 0.00 H new ATOM 0 HA GLU A 136 175.744 -7.079 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.649 -7.137 10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.689 -5.834 10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.910 -7.482 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.870 -8.785 10.046 1.00 0.00 H new ATOM 872 N ILE A 137 177.355 -5.322 7.278 1.00 0.00 N ATOM 873 CA ILE A 137 178.375 -4.306 6.886 1.00 0.00 C ATOM 874 C ILE A 137 177.769 -2.904 7.017 1.00 0.00 C ATOM 875 O ILE A 137 176.618 -2.681 6.691 1.00 0.00 O ATOM 876 CB ILE A 137 178.727 -4.628 5.430 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.381 -6.012 5.361 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.709 -3.584 4.886 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.304 -7.096 5.256 1.00 0.00 C ATOM 0 H ILE A 137 176.474 -5.264 6.766 1.00 0.00 H new ATOM 0 HA ILE A 137 179.264 -4.331 7.516 1.00 0.00 H new ATOM 0 HB ILE A 137 177.816 -4.615 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.048 -6.066 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 137 179.992 -6.179 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 137 179.954 -3.820 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.253 -2.595 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.619 -3.593 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.778 -8.076 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.655 -7.050 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.712 -6.934 4.355 1.00 0.00 H new ATOM 891 N ASP A 138 178.538 -1.969 7.501 1.00 0.00 N ATOM 892 CA ASP A 138 178.020 -0.573 7.672 1.00 0.00 C ATOM 893 C ASP A 138 177.806 0.094 6.302 1.00 0.00 C ATOM 894 O ASP A 138 178.742 0.345 5.568 1.00 0.00 O ATOM 895 CB ASP A 138 179.094 0.167 8.487 1.00 0.00 C ATOM 896 CG ASP A 138 180.474 0.076 7.812 1.00 0.00 C ATOM 897 OD1 ASP A 138 180.610 -0.653 6.842 1.00 0.00 O ATOM 898 OD2 ASP A 138 181.379 0.745 8.284 1.00 0.00 O ATOM 0 H ASP A 138 179.507 -2.107 7.788 1.00 0.00 H new ATOM 0 HA ASP A 138 177.055 -0.555 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 138 178.811 1.214 8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.149 -0.258 9.489 1.00 0.00 H new ATOM 903 N TYR A 139 176.572 0.353 5.947 1.00 0.00 N ATOM 904 CA TYR A 139 176.272 0.972 4.613 1.00 0.00 C ATOM 905 C TYR A 139 176.733 2.441 4.535 1.00 0.00 C ATOM 906 O TYR A 139 177.244 2.885 3.525 1.00 0.00 O ATOM 907 CB TYR A 139 174.738 0.863 4.462 1.00 0.00 C ATOM 908 CG TYR A 139 174.018 1.859 5.350 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.694 1.522 6.668 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.675 3.119 4.844 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.026 2.446 7.481 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.008 4.042 5.657 1.00 0.00 C ATOM 913 CZ TYR A 139 172.684 3.706 6.975 1.00 0.00 C ATOM 914 OH TYR A 139 172.025 4.616 7.777 1.00 0.00 O ATOM 0 H TYR A 139 175.753 0.162 6.525 1.00 0.00 H new ATOM 0 HA TYR A 139 176.807 0.463 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.461 1.035 3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.418 -0.148 4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 139 173.959 0.550 7.058 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.925 3.378 3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 139 172.774 2.187 8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.744 5.014 5.267 1.00 0.00 H new ATOM 0 HH TYR A 139 172.073 5.506 7.369 1.00 0.00 H new ATOM 924 N LYS A 140 176.517 3.195 5.583 1.00 0.00 N ATOM 925 CA LYS A 140 176.896 4.646 5.572 1.00 0.00 C ATOM 926 C LYS A 140 178.400 4.836 5.345 1.00 0.00 C ATOM 927 O LYS A 140 178.828 5.841 4.807 1.00 0.00 O ATOM 928 CB LYS A 140 176.498 5.180 6.960 1.00 0.00 C ATOM 929 CG LYS A 140 175.448 6.286 6.813 1.00 0.00 C ATOM 930 CD LYS A 140 175.183 6.920 8.180 1.00 0.00 C ATOM 931 CE LYS A 140 174.730 8.370 7.993 1.00 0.00 C ATOM 932 NZ LYS A 140 174.999 9.027 9.302 1.00 0.00 N ATOM 0 H LYS A 140 176.093 2.869 6.451 1.00 0.00 H new ATOM 0 HA LYS A 140 176.395 5.175 4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 140 176.101 4.369 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.377 5.567 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 140 175.797 7.043 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 140 174.525 5.874 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 140 174.418 6.355 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.086 6.886 8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 140 175.280 8.855 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.673 8.423 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 174.714 10.026 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 174.456 8.548 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 176.014 8.966 9.519 1.00 0.00 H new ATOM 946 N LYS A 141 179.201 3.898 5.773 1.00 0.00 N ATOM 947 CA LYS A 141 180.679 4.040 5.610 1.00 0.00 C ATOM 948 C LYS A 141 181.141 3.582 4.224 1.00 0.00 C ATOM 949 O LYS A 141 182.031 4.169 3.636 1.00 0.00 O ATOM 950 CB LYS A 141 181.285 3.146 6.688 1.00 0.00 C ATOM 951 CG LYS A 141 180.855 3.643 8.071 1.00 0.00 C ATOM 952 CD LYS A 141 181.571 4.958 8.386 1.00 0.00 C ATOM 953 CE LYS A 141 181.250 5.390 9.822 1.00 0.00 C ATOM 954 NZ LYS A 141 182.565 5.751 10.421 1.00 0.00 N ATOM 0 H LYS A 141 178.897 3.038 6.229 1.00 0.00 H new ATOM 0 HA LYS A 141 180.988 5.081 5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 141 180.961 2.115 6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.372 3.152 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 141 179.775 3.789 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 141 181.094 2.896 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 141 182.647 4.835 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 141 181.257 5.731 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 141 180.565 6.238 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 141 180.771 4.584 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 182.426 6.057 11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 183.194 4.923 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 182.994 6.525 9.875 1.00 0.00 H new ATOM 968 N PHE A 142 180.572 2.517 3.715 1.00 0.00 N ATOM 969 CA PHE A 142 181.014 1.997 2.383 1.00 0.00 C ATOM 970 C PHE A 142 180.596 2.938 1.251 1.00 0.00 C ATOM 971 O PHE A 142 181.260 3.013 0.235 1.00 0.00 O ATOM 972 CB PHE A 142 180.344 0.630 2.231 1.00 0.00 C ATOM 973 CG PHE A 142 180.952 -0.106 1.061 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.332 -0.334 1.019 1.00 0.00 C ATOM 975 CD2 PHE A 142 180.134 -0.568 0.022 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.897 -1.022 -0.062 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.699 -1.259 -1.059 1.00 0.00 C ATOM 978 CZ PHE A 142 182.080 -1.485 -1.100 1.00 0.00 C ATOM 0 H PHE A 142 179.824 1.987 4.162 1.00 0.00 H new ATOM 0 HA PHE A 142 182.100 1.923 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.470 0.049 3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.272 0.754 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 142 182.962 0.021 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 142 179.069 -0.392 0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.963 -1.195 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 142 180.069 -1.617 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.515 -2.017 -1.933 1.00 0.00 H new ATOM 988 N ILE A 143 179.506 3.649 1.404 1.00 0.00 N ATOM 989 CA ILE A 143 179.066 4.576 0.312 1.00 0.00 C ATOM 990 C ILE A 143 179.811 5.915 0.409 1.00 0.00 C ATOM 991 O ILE A 143 180.251 6.454 -0.590 1.00 0.00 O ATOM 992 CB ILE A 143 177.542 4.752 0.482 1.00 0.00 C ATOM 993 CG1 ILE A 143 177.215 5.478 1.802 1.00 0.00 C ATOM 994 CG2 ILE A 143 176.867 3.374 0.470 1.00 0.00 C ATOM 995 CD1 ILE A 143 175.697 5.659 1.945 1.00 0.00 C ATOM 0 H ILE A 143 178.906 3.630 2.229 1.00 0.00 H new ATOM 0 HA ILE A 143 179.294 4.174 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 143 177.167 5.357 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 143 177.602 4.906 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 143 177.708 6.450 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 143 175.790 3.495 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.073 2.876 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.258 2.770 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.478 6.173 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.321 6.250 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.213 4.683 1.946 1.00 0.00 H new ATOM 1007 N GLU A 144 179.953 6.456 1.593 1.00 0.00 N ATOM 1008 CA GLU A 144 180.667 7.763 1.746 1.00 0.00 C ATOM 1009 C GLU A 144 182.160 7.602 1.451 1.00 0.00 C ATOM 1010 O GLU A 144 182.811 8.538 1.026 1.00 0.00 O ATOM 1011 CB GLU A 144 180.459 8.166 3.207 1.00 0.00 C ATOM 1012 CG GLU A 144 178.992 8.549 3.429 1.00 0.00 C ATOM 1013 CD GLU A 144 178.777 8.950 4.893 1.00 0.00 C ATOM 1014 OE1 GLU A 144 179.718 9.431 5.504 1.00 0.00 O ATOM 1015 OE2 GLU A 144 177.670 8.775 5.374 1.00 0.00 O ATOM 0 H GLU A 144 179.605 6.050 2.462 1.00 0.00 H new ATOM 0 HA GLU A 144 180.286 8.513 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 144 180.734 7.342 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 144 181.107 9.005 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 144 178.719 9.375 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 144 178.345 7.710 3.173 1.00 0.00 H new ATOM 1022 N ASP A 145 182.707 6.429 1.659 1.00 0.00 N ATOM 1023 CA ASP A 145 184.159 6.231 1.368 1.00 0.00 C ATOM 1024 C ASP A 145 184.364 5.889 -0.116 1.00 0.00 C ATOM 1025 O ASP A 145 185.457 6.016 -0.636 1.00 0.00 O ATOM 1026 CB ASP A 145 184.632 5.102 2.285 1.00 0.00 C ATOM 1027 CG ASP A 145 186.158 5.115 2.367 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.789 4.785 1.376 1.00 0.00 O ATOM 1029 OD2 ASP A 145 186.672 5.456 3.421 1.00 0.00 O ATOM 0 H ASP A 145 182.216 5.609 2.014 1.00 0.00 H new ATOM 0 HA ASP A 145 184.737 7.136 1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.203 5.224 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.286 4.141 1.904 1.00 0.00 H new ATOM 1034 N VAL A 146 183.320 5.510 -0.816 1.00 0.00 N ATOM 1035 CA VAL A 146 183.458 5.227 -2.277 1.00 0.00 C ATOM 1036 C VAL A 146 183.060 6.499 -3.037 1.00 0.00 C ATOM 1037 O VAL A 146 183.650 6.860 -4.036 1.00 0.00 O ATOM 1038 CB VAL A 146 182.493 4.068 -2.559 1.00 0.00 C ATOM 1039 CG1 VAL A 146 182.412 3.803 -4.066 1.00 0.00 C ATOM 1040 CG2 VAL A 146 183.002 2.808 -1.857 1.00 0.00 C ATOM 0 H VAL A 146 182.381 5.385 -0.438 1.00 0.00 H new ATOM 0 HA VAL A 146 184.468 4.956 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 146 181.503 4.331 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 146 181.724 2.978 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 146 182.053 4.698 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 146 183.401 3.544 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 146 182.320 1.981 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 146 183.994 2.558 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 146 183.055 2.986 -0.783 1.00 0.00 H new ATOM 1050 N LEU A 147 182.067 7.184 -2.534 1.00 0.00 N ATOM 1051 CA LEU A 147 181.603 8.458 -3.168 1.00 0.00 C ATOM 1052 C LEU A 147 182.719 9.511 -3.185 1.00 0.00 C ATOM 1053 O LEU A 147 182.659 10.470 -3.932 1.00 0.00 O ATOM 1054 CB LEU A 147 180.437 8.939 -2.301 1.00 0.00 C ATOM 1055 CG LEU A 147 179.169 8.168 -2.672 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.122 8.349 -1.572 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.617 8.703 -3.998 1.00 0.00 C ATOM 0 H LEU A 147 181.549 6.912 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 147 181.311 8.300 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 147 180.669 8.791 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.280 10.008 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 147 179.404 7.109 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.218 7.800 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.515 7.969 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 147 177.885 9.408 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.713 8.154 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.381 9.762 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.364 8.574 -4.782 1.00 0.00 H new ATOM 1069 N ARG A 148 183.735 9.342 -2.374 1.00 0.00 N ATOM 1070 CA ARG A 148 184.856 10.337 -2.351 1.00 0.00 C ATOM 1071 C ARG A 148 185.498 10.438 -3.738 1.00 0.00 C ATOM 1072 O ARG A 148 185.774 9.440 -4.377 1.00 0.00 O ATOM 1073 CB ARG A 148 185.865 9.780 -1.341 1.00 0.00 C ATOM 1074 CG ARG A 148 185.378 10.074 0.079 1.00 0.00 C ATOM 1075 CD ARG A 148 185.721 11.519 0.449 1.00 0.00 C ATOM 1076 NE ARG A 148 184.898 11.814 1.653 1.00 0.00 N ATOM 1077 CZ ARG A 148 185.374 11.576 2.845 1.00 0.00 C ATOM 1078 NH1 ARG A 148 186.241 12.393 3.377 1.00 0.00 N ATOM 1079 NH2 ARG A 148 184.982 10.521 3.505 1.00 0.00 N ATOM 0 H ARG A 148 183.838 8.560 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 148 184.513 11.335 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 148 185.982 8.705 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 148 186.844 10.231 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 148 184.301 9.916 0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 148 185.845 9.386 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 148 186.784 11.630 0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 148 185.485 12.202 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 148 183.961 12.203 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 148 186.547 13.218 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 148 186.613 12.207 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 148 184.304 9.882 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 148 185.354 10.335 4.436 1.00 0.00 H new ATOM 1093 N GLN A 149 185.733 11.638 -4.206 1.00 0.00 N ATOM 1094 CA GLN A 149 186.354 11.815 -5.553 1.00 0.00 C ATOM 1095 C GLN A 149 187.181 13.103 -5.587 1.00 0.00 C ATOM 1096 O GLN A 149 186.645 14.138 -5.227 1.00 0.00 O ATOM 1097 CB GLN A 149 185.173 11.905 -6.521 1.00 0.00 C ATOM 1098 CG GLN A 149 185.692 12.034 -7.955 1.00 0.00 C ATOM 1099 CD GLN A 149 184.508 12.075 -8.924 1.00 0.00 C ATOM 1100 OE1 GLN A 149 183.446 11.566 -8.627 1.00 0.00 O ATOM 1101 NE2 GLN A 149 184.647 12.666 -10.079 1.00 0.00 N ATOM 1102 OXT GLN A 149 188.336 13.032 -5.973 1.00 0.00 O ATOM 0 H GLN A 149 185.521 12.505 -3.712 1.00 0.00 H new ATOM 0 HA GLN A 149 187.030 10.999 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 149 184.546 11.018 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 149 184.549 12.763 -6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 149 186.290 12.939 -8.057 1.00 0.00 H new ATOM 0 HG3 GLN A 149 186.343 11.193 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 149 185.539 13.094 -10.329 1.00 0.00 H new ATOM 0 HE22 GLN A 149 183.864 12.700 -10.732 1.00 0.00 H new TER 1111 GLN A 149