USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 331 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 182 TYR OH : rot 130:sc= 0.919 USER MOD Set 1.2: A 189 LYS NZ :NH3+ -172:sc= 1.59 (180deg=0.14) USER MOD Single : A 152 SER OG : rot 47:sc= 0.259 USER MOD Single : A 162 SER OG : rot 36:sc= 0.223 USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc=-0.00212 K(o=-0.0021,f=-0.83) USER MOD Single : A 181 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD Single : A 185 LYS NZ :NH3+ -169:sc= -0.0255 (180deg=-0.165) USER MOD Single : A 186 LYS NZ :NH3+ 156:sc= 0.00476 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 8.622 22.537 15.893 1.00 0.00 N ATOM 2 CA GLY A 149 8.805 21.232 15.306 1.00 0.00 C ATOM 3 C GLY A 149 7.698 20.929 14.343 1.00 0.00 C ATOM 4 O GLY A 149 7.147 21.850 13.727 1.00 0.00 O ATOM 0 HA2 GLY A 149 9.765 21.190 14.791 1.00 0.00 H new ATOM 0 HA3 GLY A 149 8.831 20.475 16.090 1.00 0.00 H new ATOM 10 N PRO A 150 7.338 19.659 14.174 1.00 0.00 N ATOM 11 CA PRO A 150 6.252 19.270 13.297 1.00 0.00 C ATOM 12 C PRO A 150 4.898 19.571 13.934 1.00 0.00 C ATOM 13 O PRO A 150 4.533 18.982 14.955 1.00 0.00 O ATOM 14 CB PRO A 150 6.437 17.746 13.130 1.00 0.00 C ATOM 15 CG PRO A 150 7.740 17.427 13.793 1.00 0.00 C ATOM 16 CD PRO A 150 7.958 18.497 14.810 1.00 0.00 C ATOM 0 HA PRO A 150 6.270 19.810 12.350 1.00 0.00 H new ATOM 0 HB2 PRO A 150 5.616 17.198 13.593 1.00 0.00 H new ATOM 0 HB3 PRO A 150 6.453 17.466 12.077 1.00 0.00 H new ATOM 0 HG2 PRO A 150 7.708 16.444 14.262 1.00 0.00 H new ATOM 0 HG3 PRO A 150 8.553 17.408 13.067 1.00 0.00 H new ATOM 0 HD2 PRO A 150 7.487 18.255 15.763 1.00 0.00 H new ATOM 0 HD3 PRO A 150 9.017 18.659 15.010 1.00 0.00 H new ATOM 24 N GLY A 151 4.191 20.509 13.368 1.00 0.00 N ATOM 25 CA GLY A 151 2.880 20.850 13.856 1.00 0.00 C ATOM 26 C GLY A 151 1.854 19.860 13.368 1.00 0.00 C ATOM 27 O GLY A 151 1.979 19.329 12.253 1.00 0.00 O ATOM 0 H GLY A 151 4.501 21.055 12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 151 2.886 20.867 14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 151 2.612 21.853 13.523 1.00 0.00 H new ATOM 31 N SER A 152 0.867 19.588 14.172 1.00 0.00 N ATOM 32 CA SER A 152 -0.140 18.647 13.804 1.00 0.00 C ATOM 33 C SER A 152 -1.523 19.138 14.203 1.00 0.00 C ATOM 34 O SER A 152 -2.012 18.861 15.305 1.00 0.00 O ATOM 35 CB SER A 152 0.172 17.273 14.409 1.00 0.00 C ATOM 36 OG SER A 152 0.377 17.382 15.815 1.00 0.00 O ATOM 0 H SER A 152 0.742 20.010 15.092 1.00 0.00 H new ATOM 0 HA SER A 152 -0.140 18.544 12.719 1.00 0.00 H new ATOM 0 HB2 SER A 152 -0.649 16.585 14.207 1.00 0.00 H new ATOM 0 HB3 SER A 152 1.061 16.855 13.937 1.00 0.00 H new ATOM 0 HG SER A 152 -0.339 17.922 16.209 1.00 0.00 H new ATOM 42 N GLU A 153 -2.110 19.921 13.357 1.00 0.00 N ATOM 43 CA GLU A 153 -3.440 20.396 13.575 1.00 0.00 C ATOM 44 C GLU A 153 -4.366 19.619 12.665 1.00 0.00 C ATOM 45 O GLU A 153 -5.091 18.723 13.105 1.00 0.00 O ATOM 46 CB GLU A 153 -3.521 21.899 13.279 1.00 0.00 C ATOM 47 CG GLU A 153 -4.900 22.518 13.479 1.00 0.00 C ATOM 48 CD GLU A 153 -5.395 22.385 14.892 1.00 0.00 C ATOM 49 OE1 GLU A 153 -4.922 23.140 15.764 1.00 0.00 O ATOM 50 OE2 GLU A 153 -6.260 21.518 15.159 1.00 0.00 O ATOM 0 H GLU A 153 -1.681 20.251 12.493 1.00 0.00 H new ATOM 0 HA GLU A 153 -3.732 20.249 14.615 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.809 22.420 13.919 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.208 22.069 12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -4.863 23.573 13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -5.610 22.041 12.803 1.00 0.00 H new ATOM 57 N ASP A 154 -4.252 19.885 11.395 1.00 0.00 N ATOM 58 CA ASP A 154 -5.095 19.264 10.377 1.00 0.00 C ATOM 59 C ASP A 154 -4.169 18.682 9.313 1.00 0.00 C ATOM 60 O ASP A 154 -4.578 18.210 8.265 1.00 0.00 O ATOM 61 CB ASP A 154 -5.999 20.370 9.796 1.00 0.00 C ATOM 62 CG ASP A 154 -7.026 19.908 8.794 1.00 0.00 C ATOM 63 OD1 ASP A 154 -8.089 19.388 9.214 1.00 0.00 O ATOM 64 OD2 ASP A 154 -6.836 20.150 7.585 1.00 0.00 O ATOM 0 H ASP A 154 -3.569 20.543 11.019 1.00 0.00 H new ATOM 0 HA ASP A 154 -5.722 18.465 10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -6.516 20.863 10.620 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -5.366 21.121 9.322 1.00 0.00 H new ATOM 69 N ASP A 155 -2.907 18.660 9.676 1.00 0.00 N ATOM 70 CA ASP A 155 -1.798 18.316 8.789 1.00 0.00 C ATOM 71 C ASP A 155 -1.602 16.817 8.719 1.00 0.00 C ATOM 72 O ASP A 155 -1.358 16.251 7.645 1.00 0.00 O ATOM 73 CB ASP A 155 -0.506 18.942 9.338 1.00 0.00 C ATOM 74 CG ASP A 155 -0.688 20.369 9.798 1.00 0.00 C ATOM 75 OD1 ASP A 155 -1.060 20.572 10.979 1.00 0.00 O ATOM 76 OD2 ASP A 155 -0.501 21.310 9.007 1.00 0.00 O ATOM 0 H ASP A 155 -2.605 18.887 10.624 1.00 0.00 H new ATOM 0 HA ASP A 155 -2.027 18.694 7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -0.144 18.341 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 155 0.263 18.911 8.566 1.00 0.00 H new ATOM 81 N ASP A 156 -1.700 16.163 9.865 1.00 0.00 N ATOM 82 CA ASP A 156 -1.450 14.722 9.941 1.00 0.00 C ATOM 83 C ASP A 156 -2.670 13.942 9.526 1.00 0.00 C ATOM 84 O ASP A 156 -2.568 12.839 9.009 1.00 0.00 O ATOM 85 CB ASP A 156 -1.035 14.310 11.362 1.00 0.00 C ATOM 86 CG ASP A 156 -0.709 12.829 11.477 1.00 0.00 C ATOM 87 OD1 ASP A 156 0.455 12.446 11.228 1.00 0.00 O ATOM 88 OD2 ASP A 156 -1.598 12.028 11.821 1.00 0.00 O ATOM 0 H ASP A 156 -1.949 16.598 10.753 1.00 0.00 H new ATOM 0 HA ASP A 156 -0.634 14.495 9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -0.165 14.893 11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -1.840 14.555 12.055 1.00 0.00 H new ATOM 93 N ILE A 157 -3.817 14.539 9.738 1.00 0.00 N ATOM 94 CA ILE A 157 -5.088 13.897 9.469 1.00 0.00 C ATOM 95 C ILE A 157 -5.331 13.784 7.968 1.00 0.00 C ATOM 96 O ILE A 157 -5.630 14.783 7.301 1.00 0.00 O ATOM 97 CB ILE A 157 -6.265 14.683 10.110 1.00 0.00 C ATOM 98 CG1 ILE A 157 -5.998 14.916 11.599 1.00 0.00 C ATOM 99 CG2 ILE A 157 -7.579 13.912 9.921 1.00 0.00 C ATOM 100 CD1 ILE A 157 -7.018 15.803 12.277 1.00 0.00 C ATOM 0 H ILE A 157 -3.900 15.488 10.103 1.00 0.00 H new ATOM 0 HA ILE A 157 -5.043 12.901 9.909 1.00 0.00 H new ATOM 0 HB ILE A 157 -6.351 15.651 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.974 13.953 12.108 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.010 15.362 11.715 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -8.398 14.471 10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -7.774 13.781 8.857 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.500 12.935 10.398 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -6.758 15.919 13.329 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -7.027 16.781 11.796 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -8.006 15.350 12.195 1.00 0.00 H new ATOM 112 N ASP A 158 -5.161 12.597 7.442 1.00 0.00 N ATOM 113 CA ASP A 158 -5.464 12.325 6.053 1.00 0.00 C ATOM 114 C ASP A 158 -6.977 12.194 5.970 1.00 0.00 C ATOM 115 O ASP A 158 -7.580 11.392 6.695 1.00 0.00 O ATOM 116 CB ASP A 158 -4.776 11.028 5.596 1.00 0.00 C ATOM 117 CG ASP A 158 -4.854 10.797 4.097 1.00 0.00 C ATOM 118 OD1 ASP A 158 -5.913 10.401 3.595 1.00 0.00 O ATOM 119 OD2 ASP A 158 -3.817 10.989 3.393 1.00 0.00 O ATOM 0 H ASP A 158 -4.810 11.792 7.960 1.00 0.00 H new ATOM 0 HA ASP A 158 -5.102 13.120 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -3.729 11.056 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -5.233 10.183 6.110 1.00 0.00 H new ATOM 124 N LEU A 159 -7.592 12.998 5.158 1.00 0.00 N ATOM 125 CA LEU A 159 -9.034 13.078 5.127 1.00 0.00 C ATOM 126 C LEU A 159 -9.659 12.038 4.221 1.00 0.00 C ATOM 127 O LEU A 159 -10.722 11.477 4.543 1.00 0.00 O ATOM 128 CB LEU A 159 -9.481 14.469 4.672 1.00 0.00 C ATOM 129 CG LEU A 159 -9.020 15.661 5.519 1.00 0.00 C ATOM 130 CD1 LEU A 159 -9.477 16.960 4.879 1.00 0.00 C ATOM 131 CD2 LEU A 159 -9.552 15.561 6.943 1.00 0.00 C ATOM 0 H LEU A 159 -7.119 13.617 4.499 1.00 0.00 H new ATOM 0 HA LEU A 159 -9.375 12.884 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.128 14.621 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.570 14.480 4.637 1.00 0.00 H new ATOM 0 HG LEU A 159 -7.931 15.647 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -9.145 17.802 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -9.049 17.043 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.565 16.969 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -9.209 16.419 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.642 15.548 6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -9.186 14.644 7.405 1.00 0.00 H new ATOM 143 N PHE A 160 -9.016 11.757 3.120 1.00 0.00 N ATOM 144 CA PHE A 160 -9.614 10.923 2.107 1.00 0.00 C ATOM 145 C PHE A 160 -9.363 9.449 2.315 1.00 0.00 C ATOM 146 O PHE A 160 -8.316 8.910 1.973 1.00 0.00 O ATOM 147 CB PHE A 160 -9.253 11.393 0.704 1.00 0.00 C ATOM 148 CG PHE A 160 -9.878 12.710 0.344 1.00 0.00 C ATOM 149 CD1 PHE A 160 -9.279 13.908 0.697 1.00 0.00 C ATOM 150 CD2 PHE A 160 -11.075 12.745 -0.348 1.00 0.00 C ATOM 151 CE1 PHE A 160 -9.860 15.112 0.367 1.00 0.00 C ATOM 152 CE2 PHE A 160 -11.662 13.945 -0.682 1.00 0.00 C ATOM 153 CZ PHE A 160 -11.055 15.133 -0.326 1.00 0.00 C ATOM 0 H PHE A 160 -8.078 12.092 2.899 1.00 0.00 H new ATOM 0 HA PHE A 160 -10.692 11.041 2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -8.169 11.478 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -9.568 10.639 -0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -8.344 13.898 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -11.555 11.820 -0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -9.382 16.038 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -12.597 13.957 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 160 -11.513 16.075 -0.588 1.00 0.00 H new ATOM 163 N GLY A 161 -10.334 8.820 2.900 1.00 0.00 N ATOM 164 CA GLY A 161 -10.293 7.426 3.150 1.00 0.00 C ATOM 165 C GLY A 161 -11.597 6.803 2.766 1.00 0.00 C ATOM 166 O GLY A 161 -12.492 6.636 3.615 1.00 0.00 O ATOM 0 H GLY A 161 -11.189 9.275 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.481 6.970 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.089 7.242 4.205 1.00 0.00 H new ATOM 170 N SER A 162 -11.746 6.552 1.485 1.00 0.00 N ATOM 171 CA SER A 162 -12.917 5.914 0.927 1.00 0.00 C ATOM 172 C SER A 162 -13.126 4.548 1.593 1.00 0.00 C ATOM 173 O SER A 162 -12.332 3.653 1.407 1.00 0.00 O ATOM 174 CB SER A 162 -12.683 5.775 -0.575 1.00 0.00 C ATOM 175 OG SER A 162 -11.378 5.253 -0.810 1.00 0.00 O ATOM 0 H SER A 162 -11.041 6.791 0.787 1.00 0.00 H new ATOM 0 HA SER A 162 -13.817 6.502 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 162 -13.433 5.115 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 162 -12.791 6.745 -1.061 1.00 0.00 H new ATOM 0 HG SER A 162 -11.157 4.600 -0.114 1.00 0.00 H new ATOM 181 N ASP A 163 -14.184 4.412 2.356 1.00 0.00 N ATOM 182 CA ASP A 163 -14.388 3.209 3.182 1.00 0.00 C ATOM 183 C ASP A 163 -14.950 2.024 2.409 1.00 0.00 C ATOM 184 O ASP A 163 -14.920 0.901 2.892 1.00 0.00 O ATOM 185 CB ASP A 163 -15.272 3.501 4.415 1.00 0.00 C ATOM 186 CG ASP A 163 -16.710 3.857 4.077 1.00 0.00 C ATOM 187 OD1 ASP A 163 -16.985 5.031 3.747 1.00 0.00 O ATOM 188 OD2 ASP A 163 -17.597 2.982 4.154 1.00 0.00 O ATOM 0 H ASP A 163 -14.925 5.109 2.434 1.00 0.00 H new ATOM 0 HA ASP A 163 -13.390 2.927 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -15.269 2.627 5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.829 4.321 4.980 1.00 0.00 H new ATOM 193 N ASN A 164 -15.427 2.249 1.206 1.00 0.00 N ATOM 194 CA ASN A 164 -16.045 1.156 0.450 1.00 0.00 C ATOM 195 C ASN A 164 -15.056 0.382 -0.413 1.00 0.00 C ATOM 196 O ASN A 164 -15.434 -0.581 -1.077 1.00 0.00 O ATOM 197 CB ASN A 164 -17.232 1.629 -0.407 1.00 0.00 C ATOM 198 CG ASN A 164 -18.397 2.152 0.412 1.00 0.00 C ATOM 199 OD1 ASN A 164 -18.486 3.346 0.702 1.00 0.00 O ATOM 200 ND2 ASN A 164 -19.307 1.285 0.767 1.00 0.00 N ATOM 0 H ASN A 164 -15.406 3.151 0.730 1.00 0.00 H new ATOM 0 HA ASN A 164 -16.420 0.472 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -16.892 2.413 -1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -17.576 0.801 -1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -20.121 1.590 1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -19.203 0.303 0.511 1.00 0.00 H new ATOM 207 N GLU A 165 -13.798 0.766 -0.409 1.00 0.00 N ATOM 208 CA GLU A 165 -12.831 0.058 -1.233 1.00 0.00 C ATOM 209 C GLU A 165 -12.113 -1.063 -0.492 1.00 0.00 C ATOM 210 O GLU A 165 -11.624 -2.006 -1.114 1.00 0.00 O ATOM 211 CB GLU A 165 -11.883 1.008 -2.002 1.00 0.00 C ATOM 212 CG GLU A 165 -11.285 2.157 -1.202 1.00 0.00 C ATOM 213 CD GLU A 165 -10.306 1.752 -0.131 1.00 0.00 C ATOM 214 OE1 GLU A 165 -10.717 1.373 0.951 1.00 0.00 O ATOM 215 OE2 GLU A 165 -9.099 1.845 -0.363 1.00 0.00 O ATOM 0 H GLU A 165 -13.424 1.542 0.137 1.00 0.00 H new ATOM 0 HA GLU A 165 -13.412 -0.448 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -11.066 0.416 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -12.430 1.427 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -10.784 2.837 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -12.097 2.716 -0.737 1.00 0.00 H new ATOM 222 N GLU A 166 -12.098 -0.992 0.836 1.00 0.00 N ATOM 223 CA GLU A 166 -11.463 -2.018 1.666 1.00 0.00 C ATOM 224 C GLU A 166 -12.268 -3.310 1.627 1.00 0.00 C ATOM 225 O GLU A 166 -11.804 -4.362 2.080 1.00 0.00 O ATOM 226 CB GLU A 166 -11.294 -1.567 3.116 1.00 0.00 C ATOM 227 CG GLU A 166 -12.600 -1.383 3.873 1.00 0.00 C ATOM 228 CD GLU A 166 -12.381 -1.339 5.357 1.00 0.00 C ATOM 229 OE1 GLU A 166 -12.022 -2.404 5.935 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.545 -0.267 5.974 1.00 0.00 O ATOM 0 H GLU A 166 -12.521 -0.230 1.366 1.00 0.00 H new ATOM 0 HA GLU A 166 -10.470 -2.190 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -10.683 -2.300 3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -10.745 -0.626 3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -13.081 -0.460 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -13.280 -2.200 3.630 1.00 0.00 H new ATOM 237 N GLU A 167 -13.502 -3.184 1.127 1.00 0.00 N ATOM 238 CA GLU A 167 -14.411 -4.292 0.916 1.00 0.00 C ATOM 239 C GLU A 167 -13.766 -5.290 -0.041 1.00 0.00 C ATOM 240 O GLU A 167 -13.919 -6.508 0.100 1.00 0.00 O ATOM 241 CB GLU A 167 -15.725 -3.747 0.331 1.00 0.00 C ATOM 242 CG GLU A 167 -16.789 -4.787 0.002 1.00 0.00 C ATOM 243 CD GLU A 167 -17.201 -5.618 1.187 1.00 0.00 C ATOM 244 OE1 GLU A 167 -17.740 -5.064 2.166 1.00 0.00 O ATOM 245 OE2 GLU A 167 -17.001 -6.849 1.157 1.00 0.00 O ATOM 0 H GLU A 167 -13.896 -2.283 0.855 1.00 0.00 H new ATOM 0 HA GLU A 167 -14.625 -4.800 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -16.148 -3.035 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -15.493 -3.193 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -17.667 -4.282 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -16.413 -5.446 -0.781 1.00 0.00 H new ATOM 252 N ASP A 168 -13.014 -4.776 -0.997 1.00 0.00 N ATOM 253 CA ASP A 168 -12.318 -5.632 -1.913 1.00 0.00 C ATOM 254 C ASP A 168 -10.990 -5.964 -1.313 1.00 0.00 C ATOM 255 O ASP A 168 -9.990 -5.245 -1.503 1.00 0.00 O ATOM 256 CB ASP A 168 -12.135 -5.009 -3.284 1.00 0.00 C ATOM 257 CG ASP A 168 -11.819 -6.065 -4.306 1.00 0.00 C ATOM 258 OD1 ASP A 168 -10.654 -6.471 -4.445 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.762 -6.536 -4.979 1.00 0.00 O ATOM 0 H ASP A 168 -12.876 -3.777 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.917 -6.530 -2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -13.042 -4.476 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.330 -4.274 -3.251 1.00 0.00 H new ATOM 264 N LYS A 169 -11.001 -7.002 -0.517 1.00 0.00 N ATOM 265 CA LYS A 169 -9.850 -7.435 0.220 1.00 0.00 C ATOM 266 C LYS A 169 -8.787 -7.982 -0.723 1.00 0.00 C ATOM 267 O LYS A 169 -7.595 -7.942 -0.415 1.00 0.00 O ATOM 268 CB LYS A 169 -10.265 -8.460 1.271 1.00 0.00 C ATOM 269 CG LYS A 169 -9.206 -8.745 2.313 1.00 0.00 C ATOM 270 CD LYS A 169 -9.757 -9.623 3.409 1.00 0.00 C ATOM 271 CE LYS A 169 -8.775 -9.763 4.549 1.00 0.00 C ATOM 272 NZ LYS A 169 -9.358 -10.501 5.681 1.00 0.00 N ATOM 0 H LYS A 169 -11.828 -7.579 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.410 -6.583 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.165 -8.105 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -10.526 -9.392 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.351 -9.233 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.846 -7.808 2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -10.691 -9.201 3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.991 -10.608 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.882 -10.280 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.461 -8.774 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.656 -10.577 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.196 -9.994 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.635 -11.454 5.369 1.00 0.00 H new ATOM 286 N GLU A 170 -9.227 -8.461 -1.879 1.00 0.00 N ATOM 287 CA GLU A 170 -8.333 -8.912 -2.917 1.00 0.00 C ATOM 288 C GLU A 170 -7.413 -7.771 -3.321 1.00 0.00 C ATOM 289 O GLU A 170 -6.177 -7.877 -3.196 1.00 0.00 O ATOM 290 CB GLU A 170 -9.118 -9.392 -4.136 1.00 0.00 C ATOM 291 CG GLU A 170 -8.229 -9.702 -5.318 1.00 0.00 C ATOM 292 CD GLU A 170 -8.973 -10.173 -6.522 1.00 0.00 C ATOM 293 OE1 GLU A 170 -9.385 -9.337 -7.348 1.00 0.00 O ATOM 294 OE2 GLU A 170 -9.150 -11.380 -6.693 1.00 0.00 O ATOM 0 H GLU A 170 -10.216 -8.545 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.744 -9.746 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -9.685 -10.284 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.841 -8.628 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -7.662 -8.808 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -7.506 -10.464 -5.027 1.00 0.00 H new ATOM 301 N ALA A 171 -8.024 -6.683 -3.770 1.00 0.00 N ATOM 302 CA ALA A 171 -7.301 -5.486 -4.179 1.00 0.00 C ATOM 303 C ALA A 171 -6.502 -4.933 -3.025 1.00 0.00 C ATOM 304 O ALA A 171 -5.349 -4.555 -3.200 1.00 0.00 O ATOM 305 CB ALA A 171 -8.253 -4.426 -4.703 1.00 0.00 C ATOM 0 H ALA A 171 -9.037 -6.605 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.620 -5.765 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.687 -3.544 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.795 -4.817 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.962 -4.155 -3.921 1.00 0.00 H new ATOM 311 N ALA A 172 -7.117 -4.936 -1.836 1.00 0.00 N ATOM 312 CA ALA A 172 -6.490 -4.436 -0.614 1.00 0.00 C ATOM 313 C ALA A 172 -5.157 -5.124 -0.371 1.00 0.00 C ATOM 314 O ALA A 172 -4.138 -4.466 -0.143 1.00 0.00 O ATOM 315 CB ALA A 172 -7.410 -4.643 0.573 1.00 0.00 C ATOM 0 H ALA A 172 -8.065 -5.286 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.308 -3.368 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.930 -4.266 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.344 -4.106 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.619 -5.706 0.690 1.00 0.00 H new ATOM 321 N GLN A 173 -5.163 -6.438 -0.457 1.00 0.00 N ATOM 322 CA GLN A 173 -3.959 -7.214 -0.289 1.00 0.00 C ATOM 323 C GLN A 173 -2.928 -6.892 -1.342 1.00 0.00 C ATOM 324 O GLN A 173 -1.863 -6.393 -1.019 1.00 0.00 O ATOM 325 CB GLN A 173 -4.251 -8.691 -0.332 1.00 0.00 C ATOM 326 CG GLN A 173 -4.954 -9.236 0.880 1.00 0.00 C ATOM 327 CD GLN A 173 -5.199 -10.716 0.752 1.00 0.00 C ATOM 328 OE1 GLN A 173 -5.394 -11.237 -0.350 1.00 0.00 O ATOM 329 NE2 GLN A 173 -5.169 -11.404 1.855 1.00 0.00 N ATOM 0 H GLN A 173 -5.999 -6.992 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.558 -6.948 0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -4.860 -8.900 -1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -3.311 -9.228 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -4.355 -9.040 1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -5.904 -8.719 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -5.005 -10.934 2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.310 -12.414 1.830 1.00 0.00 H new ATOM 338 N LEU A 174 -3.266 -7.135 -2.605 1.00 0.00 N ATOM 339 CA LEU A 174 -2.313 -6.990 -3.691 1.00 0.00 C ATOM 340 C LEU A 174 -1.712 -5.591 -3.806 1.00 0.00 C ATOM 341 O LEU A 174 -0.544 -5.463 -4.125 1.00 0.00 O ATOM 342 CB LEU A 174 -2.881 -7.533 -5.022 1.00 0.00 C ATOM 343 CG LEU A 174 -4.187 -6.920 -5.549 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.958 -5.618 -6.314 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.948 -7.927 -6.383 1.00 0.00 C ATOM 0 H LEU A 174 -4.196 -7.434 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.460 -7.619 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.117 -7.404 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.038 -8.605 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.795 -6.660 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.914 -5.229 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.487 -4.887 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.309 -5.808 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.870 -7.475 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.335 -8.235 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.188 -8.798 -5.773 1.00 0.00 H new ATOM 357 N ARG A 175 -2.491 -4.547 -3.492 1.00 0.00 N ATOM 358 CA ARG A 175 -1.970 -3.185 -3.558 1.00 0.00 C ATOM 359 C ARG A 175 -0.895 -2.970 -2.483 1.00 0.00 C ATOM 360 O ARG A 175 0.166 -2.395 -2.747 1.00 0.00 O ATOM 361 CB ARG A 175 -3.087 -2.128 -3.451 1.00 0.00 C ATOM 362 CG ARG A 175 -3.817 -2.115 -2.137 1.00 0.00 C ATOM 363 CD ARG A 175 -4.907 -1.080 -2.115 1.00 0.00 C ATOM 364 NE ARG A 175 -5.642 -1.093 -0.845 1.00 0.00 N ATOM 365 CZ ARG A 175 -6.740 -0.379 -0.598 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.219 0.450 -1.510 1.00 0.00 N ATOM 367 NH2 ARG A 175 -7.351 -0.482 0.575 1.00 0.00 N ATOM 0 H ARG A 175 -3.464 -4.621 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.511 -3.056 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.653 -1.142 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.808 -2.300 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.246 -3.099 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -3.111 -1.917 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.474 -0.092 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -5.599 -1.262 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.288 -1.691 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.748 0.546 -2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.060 0.993 -1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -6.981 -1.108 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -8.191 0.065 0.762 1.00 0.00 H new ATOM 381 N GLU A 176 -1.157 -3.500 -1.304 1.00 0.00 N ATOM 382 CA GLU A 176 -0.254 -3.400 -0.192 1.00 0.00 C ATOM 383 C GLU A 176 0.975 -4.261 -0.482 1.00 0.00 C ATOM 384 O GLU A 176 2.111 -3.779 -0.463 1.00 0.00 O ATOM 385 CB GLU A 176 -0.970 -3.888 1.086 1.00 0.00 C ATOM 386 CG GLU A 176 -0.148 -3.812 2.367 1.00 0.00 C ATOM 387 CD GLU A 176 0.159 -2.401 2.806 1.00 0.00 C ATOM 388 OE1 GLU A 176 0.989 -1.740 2.182 1.00 0.00 O ATOM 389 OE2 GLU A 176 -0.379 -1.953 3.839 1.00 0.00 O ATOM 0 H GLU A 176 -2.013 -4.015 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 176 0.060 -2.367 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.877 -3.299 1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.281 -4.922 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.687 -4.323 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 176 0.789 -4.350 2.220 1.00 0.00 H new ATOM 396 N GLU A 177 0.725 -5.514 -0.839 1.00 0.00 N ATOM 397 CA GLU A 177 1.773 -6.493 -1.074 1.00 0.00 C ATOM 398 C GLU A 177 2.759 -6.068 -2.152 1.00 0.00 C ATOM 399 O GLU A 177 3.966 -6.251 -1.980 1.00 0.00 O ATOM 400 CB GLU A 177 1.197 -7.872 -1.400 1.00 0.00 C ATOM 401 CG GLU A 177 0.321 -8.457 -0.303 1.00 0.00 C ATOM 402 CD GLU A 177 0.998 -8.469 1.039 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.064 -9.096 1.172 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.466 -7.883 1.999 1.00 0.00 O ATOM 0 H GLU A 177 -0.217 -5.880 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 177 2.327 -6.556 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.613 -7.802 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 177 2.019 -8.559 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.601 -7.880 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.041 -9.475 -0.573 1.00 0.00 H new ATOM 411 N ARG A 178 2.259 -5.484 -3.243 1.00 0.00 N ATOM 412 CA ARG A 178 3.128 -5.047 -4.335 1.00 0.00 C ATOM 413 C ARG A 178 4.070 -3.932 -3.891 1.00 0.00 C ATOM 414 O ARG A 178 5.247 -3.928 -4.257 1.00 0.00 O ATOM 415 CB ARG A 178 2.331 -4.645 -5.592 1.00 0.00 C ATOM 416 CG ARG A 178 1.390 -3.464 -5.422 1.00 0.00 C ATOM 417 CD ARG A 178 0.540 -3.272 -6.654 1.00 0.00 C ATOM 418 NE ARG A 178 -0.500 -2.246 -6.476 1.00 0.00 N ATOM 419 CZ ARG A 178 -1.642 -2.203 -7.180 1.00 0.00 C ATOM 420 NH1 ARG A 178 -1.854 -3.071 -8.158 1.00 0.00 N ATOM 421 NH2 ARG A 178 -2.557 -1.277 -6.909 1.00 0.00 N ATOM 0 H ARG A 178 1.266 -5.304 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 178 3.740 -5.906 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.037 -4.412 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.749 -5.506 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.750 -3.626 -4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.966 -2.559 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.180 -2.993 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.068 -4.219 -6.915 1.00 0.00 H new ATOM 0 HE ARG A 178 -0.343 -1.523 -5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -1.149 -3.774 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -2.723 -3.036 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -2.391 -0.599 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -3.425 -1.245 -7.445 1.00 0.00 H new ATOM 435 N LEU A 179 3.572 -3.023 -3.067 1.00 0.00 N ATOM 436 CA LEU A 179 4.396 -1.935 -2.578 1.00 0.00 C ATOM 437 C LEU A 179 5.395 -2.450 -1.558 1.00 0.00 C ATOM 438 O LEU A 179 6.571 -2.059 -1.562 1.00 0.00 O ATOM 439 CB LEU A 179 3.542 -0.819 -1.972 1.00 0.00 C ATOM 440 CG LEU A 179 2.513 -0.166 -2.901 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.788 0.954 -2.180 1.00 0.00 C ATOM 442 CD2 LEU A 179 3.172 0.354 -4.174 1.00 0.00 C ATOM 0 H LEU A 179 2.610 -3.018 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 179 4.939 -1.517 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 179 3.014 -1.224 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 179 4.210 -0.041 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 179 1.786 -0.926 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 179 1.060 1.408 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 179 1.274 0.552 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 179 2.508 1.708 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.417 0.812 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.927 1.096 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.643 -0.474 -4.704 1.00 0.00 H new ATOM 454 N ARG A 180 4.943 -3.363 -0.716 1.00 0.00 N ATOM 455 CA ARG A 180 5.789 -3.938 0.318 1.00 0.00 C ATOM 456 C ARG A 180 6.909 -4.776 -0.284 1.00 0.00 C ATOM 457 O ARG A 180 8.039 -4.708 0.173 1.00 0.00 O ATOM 458 CB ARG A 180 4.981 -4.775 1.316 1.00 0.00 C ATOM 459 CG ARG A 180 3.875 -4.016 2.031 1.00 0.00 C ATOM 460 CD ARG A 180 4.395 -2.835 2.834 1.00 0.00 C ATOM 461 NE ARG A 180 3.289 -2.106 3.447 1.00 0.00 N ATOM 462 CZ ARG A 180 3.290 -1.540 4.651 1.00 0.00 C ATOM 463 NH1 ARG A 180 4.414 -1.450 5.366 1.00 0.00 N ATOM 464 NH2 ARG A 180 2.151 -1.042 5.136 1.00 0.00 N ATOM 0 H ARG A 180 3.989 -3.724 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 180 6.234 -3.103 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.540 -5.620 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.662 -5.185 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.152 -3.660 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.345 -4.697 2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 180 5.079 -3.186 3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 180 4.962 -2.168 2.185 1.00 0.00 H new ATOM 0 HE ARG A 180 2.433 -2.022 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 180 5.288 -1.818 4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 180 4.399 -1.013 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 180 1.294 -1.098 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 180 2.137 -0.605 6.058 1.00 0.00 H new ATOM 478 N GLN A 181 6.608 -5.549 -1.319 1.00 0.00 N ATOM 479 CA GLN A 181 7.634 -6.368 -1.927 1.00 0.00 C ATOM 480 C GLN A 181 8.688 -5.500 -2.599 1.00 0.00 C ATOM 481 O GLN A 181 9.884 -5.686 -2.383 1.00 0.00 O ATOM 482 CB GLN A 181 7.029 -7.460 -2.870 1.00 0.00 C ATOM 483 CG GLN A 181 6.322 -6.999 -4.166 1.00 0.00 C ATOM 484 CD GLN A 181 7.268 -6.643 -5.318 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.362 -7.202 -5.444 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.857 -5.723 -6.158 1.00 0.00 N ATOM 0 H GLN A 181 5.683 -5.623 -1.743 1.00 0.00 H new ATOM 0 HA GLN A 181 8.143 -6.922 -1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.834 -8.138 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.313 -8.041 -2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.649 -7.789 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.705 -6.130 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.947 -5.281 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.447 -5.450 -6.944 1.00 0.00 H new ATOM 495 N TYR A 182 8.232 -4.496 -3.309 1.00 0.00 N ATOM 496 CA TYR A 182 9.109 -3.655 -4.074 1.00 0.00 C ATOM 497 C TYR A 182 9.957 -2.734 -3.204 1.00 0.00 C ATOM 498 O TYR A 182 11.179 -2.817 -3.215 1.00 0.00 O ATOM 499 CB TYR A 182 8.320 -2.852 -5.115 1.00 0.00 C ATOM 500 CG TYR A 182 9.188 -1.935 -5.935 1.00 0.00 C ATOM 501 CD1 TYR A 182 10.122 -2.452 -6.810 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.098 -0.560 -5.805 1.00 0.00 C ATOM 503 CE1 TYR A 182 10.941 -1.628 -7.541 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.918 0.270 -6.530 1.00 0.00 C ATOM 505 CZ TYR A 182 10.838 -0.274 -7.397 1.00 0.00 C ATOM 506 OH TYR A 182 11.672 0.552 -8.117 1.00 0.00 O ATOM 0 H TYR A 182 7.246 -4.243 -3.370 1.00 0.00 H new ATOM 0 HA TYR A 182 9.803 -4.316 -4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.801 -3.542 -5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.556 -2.262 -4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 182 10.210 -3.523 -6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 182 8.374 -0.135 -5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 182 11.663 -2.048 -8.226 1.00 0.00 H new ATOM 0 HE2 TYR A 182 9.841 1.342 -6.420 1.00 0.00 H new ATOM 0 HH TYR A 182 11.141 1.242 -8.566 1.00 0.00 H new ATOM 516 N ALA A 183 9.316 -1.873 -2.460 1.00 0.00 N ATOM 517 CA ALA A 183 10.037 -0.876 -1.702 1.00 0.00 C ATOM 518 C ALA A 183 10.561 -1.420 -0.384 1.00 0.00 C ATOM 519 O ALA A 183 11.711 -1.182 -0.016 1.00 0.00 O ATOM 520 CB ALA A 183 9.163 0.348 -1.468 1.00 0.00 C ATOM 0 H ALA A 183 8.302 -1.838 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 183 10.905 -0.585 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.721 1.089 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.870 0.775 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.271 0.057 -0.913 1.00 0.00 H new ATOM 526 N GLU A 184 9.752 -2.197 0.295 1.00 0.00 N ATOM 527 CA GLU A 184 10.083 -2.603 1.642 1.00 0.00 C ATOM 528 C GLU A 184 11.021 -3.824 1.678 1.00 0.00 C ATOM 529 O GLU A 184 11.860 -3.936 2.584 1.00 0.00 O ATOM 530 CB GLU A 184 8.807 -2.811 2.454 1.00 0.00 C ATOM 531 CG GLU A 184 9.012 -2.904 3.949 1.00 0.00 C ATOM 532 CD GLU A 184 7.706 -2.995 4.686 1.00 0.00 C ATOM 533 OE1 GLU A 184 6.967 -1.982 4.731 1.00 0.00 O ATOM 534 OE2 GLU A 184 7.396 -4.059 5.241 1.00 0.00 O ATOM 0 H GLU A 184 8.866 -2.559 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 184 10.649 -1.798 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 184 8.123 -1.988 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 184 8.320 -3.724 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 184 9.621 -3.778 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.565 -2.031 4.295 1.00 0.00 H new ATOM 541 N LYS A 185 10.946 -4.717 0.677 1.00 0.00 N ATOM 542 CA LYS A 185 11.866 -5.850 0.676 1.00 0.00 C ATOM 543 C LYS A 185 13.236 -5.456 0.153 1.00 0.00 C ATOM 544 O LYS A 185 14.194 -6.231 0.236 1.00 0.00 O ATOM 545 CB LYS A 185 11.320 -7.088 -0.039 1.00 0.00 C ATOM 546 CG LYS A 185 10.130 -7.727 0.660 1.00 0.00 C ATOM 547 CD LYS A 185 9.717 -9.023 -0.020 1.00 0.00 C ATOM 548 CE LYS A 185 8.514 -9.666 0.670 1.00 0.00 C ATOM 549 NZ LYS A 185 8.770 -9.984 2.099 1.00 0.00 N ATOM 0 H LYS A 185 10.290 -4.677 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 185 11.975 -6.142 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 185 11.029 -6.812 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 185 12.117 -7.826 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 185 10.382 -7.925 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 185 9.291 -7.032 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 185 9.474 -8.825 -1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 185 10.555 -9.720 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 185 7.659 -8.994 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 185 8.244 -10.581 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 8.001 -10.580 2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 9.673 -10.493 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 8.816 -9.102 2.648 1.00 0.00 H new ATOM 563 N LYS A 186 13.336 -4.251 -0.381 1.00 0.00 N ATOM 564 CA LYS A 186 14.623 -3.708 -0.770 1.00 0.00 C ATOM 565 C LYS A 186 15.168 -2.831 0.337 1.00 0.00 C ATOM 566 O LYS A 186 16.286 -2.299 0.235 1.00 0.00 O ATOM 567 CB LYS A 186 14.569 -2.948 -2.095 1.00 0.00 C ATOM 568 CG LYS A 186 14.291 -3.833 -3.291 1.00 0.00 C ATOM 569 CD LYS A 186 14.404 -3.056 -4.587 1.00 0.00 C ATOM 570 CE LYS A 186 14.123 -3.946 -5.778 1.00 0.00 C ATOM 571 NZ LYS A 186 14.288 -3.231 -7.057 1.00 0.00 N ATOM 0 H LYS A 186 12.543 -3.633 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 186 15.298 -4.549 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 186 13.796 -2.182 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 186 15.517 -2.433 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 186 14.994 -4.666 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 186 13.292 -4.260 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 186 13.702 -2.222 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.404 -2.630 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.794 -4.805 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 186 13.107 -4.333 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 14.490 -3.915 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 13.413 -2.715 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 15.077 -2.558 -6.979 1.00 0.00 H new ATOM 585 N ALA A 187 14.354 -2.679 1.390 1.00 0.00 N ATOM 586 CA ALA A 187 14.672 -1.945 2.623 1.00 0.00 C ATOM 587 C ALA A 187 14.713 -0.434 2.439 1.00 0.00 C ATOM 588 O ALA A 187 14.036 0.304 3.163 1.00 0.00 O ATOM 589 CB ALA A 187 15.960 -2.449 3.266 1.00 0.00 C ATOM 0 H ALA A 187 13.417 -3.081 1.407 1.00 0.00 H new ATOM 0 HA ALA A 187 13.845 -2.150 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 187 16.160 -1.881 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 187 15.854 -3.505 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 187 16.788 -2.322 2.569 1.00 0.00 H new ATOM 595 N LYS A 188 15.479 0.015 1.489 1.00 0.00 N ATOM 596 CA LYS A 188 15.686 1.416 1.266 1.00 0.00 C ATOM 597 C LYS A 188 15.890 1.705 -0.208 1.00 0.00 C ATOM 598 O LYS A 188 16.482 0.901 -0.940 1.00 0.00 O ATOM 599 CB LYS A 188 16.916 1.894 2.060 1.00 0.00 C ATOM 600 CG LYS A 188 18.187 1.070 1.797 1.00 0.00 C ATOM 601 CD LYS A 188 19.408 1.618 2.527 1.00 0.00 C ATOM 602 CE LYS A 188 19.820 2.971 1.981 1.00 0.00 C ATOM 603 NZ LYS A 188 21.037 3.487 2.623 1.00 0.00 N ATOM 0 H LYS A 188 15.984 -0.588 0.839 1.00 0.00 H new ATOM 0 HA LYS A 188 14.799 1.951 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 188 17.113 2.937 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 188 16.685 1.858 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 188 18.017 0.039 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 188 18.388 1.052 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 188 19.188 1.705 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 188 20.237 0.917 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 188 19.985 2.891 0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 188 19.006 3.682 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 21.278 4.413 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 20.874 3.590 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 21.822 2.824 2.463 1.00 0.00 H new ATOM 617 N LYS A 189 15.392 2.829 -0.641 1.00 0.00 N ATOM 618 CA LYS A 189 15.616 3.298 -1.981 1.00 0.00 C ATOM 619 C LYS A 189 16.134 4.718 -1.951 1.00 0.00 C ATOM 620 O LYS A 189 15.354 5.659 -1.839 1.00 0.00 O ATOM 621 CB LYS A 189 14.362 3.236 -2.868 1.00 0.00 C ATOM 622 CG LYS A 189 13.937 1.842 -3.323 1.00 0.00 C ATOM 623 CD LYS A 189 12.781 1.909 -4.338 1.00 0.00 C ATOM 624 CE LYS A 189 13.158 2.756 -5.569 1.00 0.00 C ATOM 625 NZ LYS A 189 12.112 2.777 -6.616 1.00 0.00 N ATOM 0 H LYS A 189 14.816 3.449 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 189 16.353 2.627 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 189 13.533 3.688 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 189 14.535 3.849 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 189 14.788 1.329 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 189 13.630 1.253 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 189 12.516 0.901 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 189 11.899 2.334 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 189 13.360 3.778 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 189 14.082 2.368 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 12.481 3.248 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 11.837 1.802 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 11.281 3.296 -6.266 1.00 0.00 H new ATOM 639 N PRO A 190 17.459 4.908 -2.039 1.00 0.00 N ATOM 640 CA PRO A 190 18.075 6.241 -2.097 1.00 0.00 C ATOM 641 C PRO A 190 18.012 6.763 -3.533 1.00 0.00 C ATOM 642 O PRO A 190 18.967 7.346 -4.058 1.00 0.00 O ATOM 643 CB PRO A 190 19.545 5.973 -1.702 1.00 0.00 C ATOM 644 CG PRO A 190 19.640 4.506 -1.412 1.00 0.00 C ATOM 645 CD PRO A 190 18.476 3.859 -2.090 1.00 0.00 C ATOM 0 HA PRO A 190 17.587 6.976 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 190 20.222 6.255 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 190 19.827 6.561 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 190 20.580 4.098 -1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 190 19.614 4.321 -0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 190 18.711 3.571 -3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 190 18.154 2.956 -1.571 1.00 0.00 H new ATOM 653 N ALA A 191 16.867 6.583 -4.137 1.00 0.00 N ATOM 654 CA ALA A 191 16.653 6.907 -5.511 1.00 0.00 C ATOM 655 C ALA A 191 16.255 8.355 -5.682 1.00 0.00 C ATOM 656 O ALA A 191 15.079 8.713 -5.566 1.00 0.00 O ATOM 657 CB ALA A 191 15.609 5.979 -6.115 1.00 0.00 C ATOM 0 H ALA A 191 16.044 6.199 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 191 17.594 6.764 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 191 15.455 6.237 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 191 15.953 4.947 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 191 14.669 6.087 -5.573 1.00 0.00 H new ATOM 663 N LEU A 192 17.237 9.181 -5.872 1.00 0.00 N ATOM 664 CA LEU A 192 17.039 10.573 -6.161 1.00 0.00 C ATOM 665 C LEU A 192 17.416 10.783 -7.600 1.00 0.00 C ATOM 666 O LEU A 192 18.617 10.857 -7.893 1.00 0.00 O ATOM 667 CB LEU A 192 17.881 11.508 -5.249 1.00 0.00 C ATOM 668 CG LEU A 192 17.470 11.672 -3.770 1.00 0.00 C ATOM 669 CD1 LEU A 192 17.617 10.384 -2.969 1.00 0.00 C ATOM 670 CD2 LEU A 192 18.287 12.782 -3.135 1.00 0.00 C ATOM 671 OXT LEU A 192 16.521 10.815 -8.459 1.00 0.00 O ATOM 0 H LEU A 192 18.218 8.904 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 192 15.997 10.829 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 192 18.910 11.148 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 192 17.882 12.499 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 192 16.411 11.930 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 192 17.314 10.561 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 192 16.986 9.610 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 192 18.657 10.059 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 192 17.996 12.897 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 192 19.346 12.532 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 192 18.107 13.716 -3.667 1.00 0.00 H new TER 683 LEU A 192