USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 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 179 CYS SG : rot -160:sc= -1.03 USER MOD Set 1.2: A 182 CYS SG : rot 180:sc= 0.00686 USER MOD Set 1.3: A 186 HIS : no HD1:sc= -1.93 K(o=-2.9,f=-1.9) USER MOD Set 2.1: A 138 CYS SG : rot -101:sc= -4.23! USER MOD Set 2.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 160 CYS SG : rot -47:sc= -0.46 USER MOD Set 2.4: A 163 CYS SG : rot 146:sc= -0.746 USER MOD Single : A 139 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.4) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 154 HIS : no HD1:sc= -5.01! C(o=-5!,f=-5!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.93) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 175 ASN : amide:sc= -0.63 K(o=-0.63,f=-3.8!) USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 TYR OH : rot 143:sc= 0.417! USER MOD Single : A 180 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.025) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ALA A 136 -8.105 19.845 -12.391 1.00 0.00 N ATOM 18 CA ALA A 136 -8.074 19.381 -11.009 1.00 0.00 C ATOM 19 C ALA A 136 -9.431 19.559 -10.338 1.00 0.00 C ATOM 20 O ALA A 136 -9.732 20.624 -9.798 1.00 0.00 O ATOM 21 CB ALA A 136 -6.997 20.122 -10.231 1.00 0.00 C ATOM 0 HA ALA A 136 -7.839 18.317 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -6.983 19.767 -9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.026 19.940 -10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.209 21.191 -10.244 1.00 0.00 H new ATOM 27 N ARG A 137 -10.247 18.511 -10.378 1.00 0.00 N ATOM 28 CA ARG A 137 -11.575 18.555 -9.775 1.00 0.00 C ATOM 29 C ARG A 137 -12.102 17.146 -9.520 1.00 0.00 C ATOM 30 O ARG A 137 -12.265 16.358 -10.451 1.00 0.00 O ATOM 31 CB ARG A 137 -12.537 19.322 -10.688 1.00 0.00 C ATOM 32 CG ARG A 137 -13.992 19.267 -10.241 1.00 0.00 C ATOM 33 CD ARG A 137 -14.891 18.697 -11.327 1.00 0.00 C ATOM 34 NE ARG A 137 -15.509 19.747 -12.133 1.00 0.00 N ATOM 35 CZ ARG A 137 -16.519 20.505 -11.714 1.00 0.00 C ATOM 36 NH1 ARG A 137 -17.028 20.332 -10.500 1.00 0.00 N ATOM 37 NH2 ARG A 137 -17.022 21.439 -12.510 1.00 0.00 N ATOM 0 H ARG A 137 -10.013 17.622 -10.821 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.503 19.070 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.222 20.364 -10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.462 18.919 -11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.074 18.656 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.330 20.269 -9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.308 18.040 -11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.669 18.086 -10.870 1.00 0.00 H new ATOM 0 HE ARG A 137 -15.145 19.908 -13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.645 19.615 -9.884 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.802 20.916 -10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -16.635 21.576 -13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.796 22.020 -12.189 1.00 0.00 H new ATOM 51 N CYS A 138 -12.381 16.836 -8.255 1.00 0.00 N ATOM 52 CA CYS A 138 -12.903 15.522 -7.894 1.00 0.00 C ATOM 53 C CYS A 138 -14.225 15.270 -8.606 1.00 0.00 C ATOM 54 O CYS A 138 -15.281 15.717 -8.157 1.00 0.00 O ATOM 55 CB CYS A 138 -13.087 15.410 -6.379 1.00 0.00 C ATOM 56 SG CYS A 138 -13.249 13.710 -5.788 1.00 0.00 S ATOM 0 H CYS A 138 -12.255 17.473 -7.468 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.183 14.766 -8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.236 15.878 -5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -13.974 15.972 -6.088 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.502 13.445 -5.568 1.00 0.00 H new ATOM 61 N GLN A 139 -14.153 14.568 -9.734 1.00 0.00 N ATOM 62 CA GLN A 139 -15.337 14.270 -10.538 1.00 0.00 C ATOM 63 C GLN A 139 -16.044 12.995 -10.080 1.00 0.00 C ATOM 64 O GLN A 139 -16.497 12.200 -10.905 1.00 0.00 O ATOM 65 CB GLN A 139 -14.951 14.145 -12.014 1.00 0.00 C ATOM 66 CG GLN A 139 -13.871 13.108 -12.284 1.00 0.00 C ATOM 67 CD GLN A 139 -14.438 11.745 -12.628 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.406 11.635 -13.383 1.00 0.00 O ATOM 69 NE2 GLN A 139 -13.838 10.697 -12.076 1.00 0.00 N ATOM 0 H GLN A 139 -13.284 14.193 -10.114 1.00 0.00 H new ATOM 0 HA GLN A 139 -16.034 15.098 -10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -15.839 13.888 -12.591 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.607 15.115 -12.373 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.241 13.452 -13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.231 13.019 -11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -13.039 10.834 -11.457 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.176 9.755 -12.271 1.00 0.00 H new ATOM 78 N VAL A 140 -16.162 12.809 -8.769 1.00 0.00 N ATOM 79 CA VAL A 140 -16.841 11.636 -8.235 1.00 0.00 C ATOM 80 C VAL A 140 -18.329 11.927 -8.046 1.00 0.00 C ATOM 81 O VAL A 140 -18.694 12.939 -7.447 1.00 0.00 O ATOM 82 CB VAL A 140 -16.233 11.186 -6.890 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.775 9.825 -6.485 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.714 11.157 -6.972 1.00 0.00 C ATOM 0 H VAL A 140 -15.799 13.450 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.711 10.829 -8.956 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.520 11.908 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.334 9.526 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.859 9.881 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.522 9.090 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.304 10.837 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.405 10.459 -7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.343 12.154 -7.211 1.00 0.00 H new ATOM 94 N PRO A 141 -19.216 11.054 -8.558 1.00 0.00 N ATOM 95 CA PRO A 141 -20.664 11.245 -8.440 1.00 0.00 C ATOM 96 C PRO A 141 -21.093 11.565 -7.011 1.00 0.00 C ATOM 97 O PRO A 141 -21.708 12.600 -6.756 1.00 0.00 O ATOM 98 CB PRO A 141 -21.256 9.899 -8.895 1.00 0.00 C ATOM 99 CG PRO A 141 -20.096 8.966 -9.027 1.00 0.00 C ATOM 100 CD PRO A 141 -18.893 9.825 -9.290 1.00 0.00 C ATOM 0 HA PRO A 141 -21.007 12.091 -9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.978 9.524 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.783 10.004 -9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -19.964 8.379 -8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.255 8.260 -9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -17.976 9.363 -8.923 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.752 10.012 -10.355 1.00 0.00 H new ATOM 108 N ASP A 142 -20.763 10.673 -6.085 1.00 0.00 N ATOM 109 CA ASP A 142 -21.112 10.863 -4.683 1.00 0.00 C ATOM 110 C ASP A 142 -20.293 11.990 -4.055 1.00 0.00 C ATOM 111 O ASP A 142 -20.681 12.552 -3.031 1.00 0.00 O ATOM 112 CB ASP A 142 -20.894 9.566 -3.903 1.00 0.00 C ATOM 113 CG ASP A 142 -19.476 9.045 -4.033 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.013 8.865 -5.178 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.831 8.815 -2.989 1.00 0.00 O ATOM 0 H ASP A 142 -20.254 9.811 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.165 11.140 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.121 9.736 -2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.591 8.808 -4.261 1.00 0.00 H new ATOM 120 N CYS A 143 -19.156 12.314 -4.667 1.00 0.00 N ATOM 121 CA CYS A 143 -18.291 13.372 -4.152 1.00 0.00 C ATOM 122 C CYS A 143 -17.847 14.320 -5.265 1.00 0.00 C ATOM 123 O CYS A 143 -16.850 14.075 -5.945 1.00 0.00 O ATOM 124 CB CYS A 143 -17.065 12.767 -3.465 1.00 0.00 C ATOM 125 SG CYS A 143 -15.930 13.989 -2.765 1.00 0.00 S ATOM 0 H CYS A 143 -18.814 11.862 -5.515 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.865 13.946 -3.425 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.400 12.101 -2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.523 12.155 -4.186 1.00 0.00 H new ATOM 0 HG CYS A 143 -14.928 13.379 -2.205 1.00 0.00 H new ATOM 130 N GLU A 144 -18.587 15.411 -5.435 1.00 0.00 N ATOM 131 CA GLU A 144 -18.263 16.404 -6.453 1.00 0.00 C ATOM 132 C GLU A 144 -17.450 17.540 -5.837 1.00 0.00 C ATOM 133 O GLU A 144 -17.965 18.633 -5.603 1.00 0.00 O ATOM 134 CB GLU A 144 -19.542 16.954 -7.091 1.00 0.00 C ATOM 135 CG GLU A 144 -19.772 16.463 -8.511 1.00 0.00 C ATOM 136 CD GLU A 144 -21.224 16.566 -8.936 1.00 0.00 C ATOM 137 OE1 GLU A 144 -21.992 15.619 -8.663 1.00 0.00 O ATOM 138 OE2 GLU A 144 -21.593 17.594 -9.541 1.00 0.00 O ATOM 0 H GLU A 144 -19.415 15.630 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.668 15.925 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.396 16.672 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -19.497 18.043 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -19.155 17.043 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -19.447 15.426 -8.590 1.00 0.00 H new ATOM 145 N ALA A 145 -16.178 17.266 -5.567 1.00 0.00 N ATOM 146 CA ALA A 145 -15.293 18.256 -4.965 1.00 0.00 C ATOM 147 C ALA A 145 -14.575 19.088 -6.022 1.00 0.00 C ATOM 148 O ALA A 145 -14.426 18.663 -7.168 1.00 0.00 O ATOM 149 CB ALA A 145 -14.282 17.572 -4.057 1.00 0.00 C ATOM 0 H ALA A 145 -15.737 16.366 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 145 -15.908 18.934 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.626 18.321 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -14.807 17.035 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.687 16.869 -4.640 1.00 0.00 H new ATOM 155 N ASP A 146 -14.127 20.275 -5.622 1.00 0.00 N ATOM 156 CA ASP A 146 -13.418 21.173 -6.525 1.00 0.00 C ATOM 157 C ASP A 146 -12.005 21.442 -6.019 1.00 0.00 C ATOM 158 O ASP A 146 -11.771 22.400 -5.280 1.00 0.00 O ATOM 159 CB ASP A 146 -14.180 22.491 -6.673 1.00 0.00 C ATOM 160 CG ASP A 146 -14.011 23.105 -8.049 1.00 0.00 C ATOM 161 OD1 ASP A 146 -14.061 22.354 -9.045 1.00 0.00 O ATOM 162 OD2 ASP A 146 -13.827 24.338 -8.130 1.00 0.00 O ATOM 0 H ASP A 146 -14.244 20.637 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.352 20.691 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.239 22.318 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -13.831 23.196 -5.918 1.00 0.00 H new ATOM 167 N ILE A 147 -11.068 20.588 -6.415 1.00 0.00 N ATOM 168 CA ILE A 147 -9.677 20.729 -5.998 1.00 0.00 C ATOM 169 C ILE A 147 -8.875 21.544 -7.009 1.00 0.00 C ATOM 170 O ILE A 147 -7.764 21.166 -7.387 1.00 0.00 O ATOM 171 CB ILE A 147 -9.007 19.351 -5.816 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.226 18.486 -7.059 1.00 0.00 C ATOM 173 CG2 ILE A 147 -9.554 18.659 -4.576 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.002 17.695 -7.468 1.00 0.00 C ATOM 0 H ILE A 147 -11.246 19.790 -7.025 1.00 0.00 H new ATOM 0 HA ILE A 147 -9.684 21.253 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 147 -7.935 19.496 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.049 17.796 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -9.529 19.125 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.073 17.688 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -9.351 19.272 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -10.630 18.521 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.230 17.105 -8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.183 18.380 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -7.710 17.030 -6.655 1.00 0.00 H new ATOM 186 N SER A 148 -9.439 22.666 -7.441 1.00 0.00 N ATOM 187 CA SER A 148 -8.773 23.534 -8.403 1.00 0.00 C ATOM 188 C SER A 148 -7.600 24.267 -7.756 1.00 0.00 C ATOM 189 O SER A 148 -6.643 24.643 -8.431 1.00 0.00 O ATOM 190 CB SER A 148 -9.763 24.544 -8.983 1.00 0.00 C ATOM 191 OG SER A 148 -10.076 25.554 -8.038 1.00 0.00 O ATOM 0 H SER A 148 -10.356 22.995 -7.140 1.00 0.00 H new ATOM 0 HA SER A 148 -8.388 22.910 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 148 -9.340 24.999 -9.879 1.00 0.00 H new ATOM 0 HB3 SER A 148 -10.675 24.030 -9.286 1.00 0.00 H new ATOM 0 HG SER A 148 -10.709 26.188 -8.434 1.00 0.00 H new ATOM 197 N GLU A 149 -7.684 24.465 -6.444 1.00 0.00 N ATOM 198 CA GLU A 149 -6.630 25.154 -5.706 1.00 0.00 C ATOM 199 C GLU A 149 -5.739 24.158 -4.966 1.00 0.00 C ATOM 200 O GLU A 149 -4.568 24.435 -4.705 1.00 0.00 O ATOM 201 CB GLU A 149 -7.240 26.146 -4.715 1.00 0.00 C ATOM 202 CG GLU A 149 -7.575 27.493 -5.332 1.00 0.00 C ATOM 203 CD GLU A 149 -7.822 28.566 -4.289 1.00 0.00 C ATOM 204 OE1 GLU A 149 -7.136 28.550 -3.247 1.00 0.00 O ATOM 205 OE2 GLU A 149 -8.704 29.422 -4.516 1.00 0.00 O ATOM 0 H GLU A 149 -8.470 24.159 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 149 -6.015 25.698 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -8.147 25.714 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -6.544 26.297 -3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -6.757 27.804 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -8.460 27.391 -5.960 1.00 0.00 H new ATOM 212 N LEU A 150 -6.300 23.000 -4.629 1.00 0.00 N ATOM 213 CA LEU A 150 -5.555 21.966 -3.918 1.00 0.00 C ATOM 214 C LEU A 150 -4.277 21.598 -4.667 1.00 0.00 C ATOM 215 O LEU A 150 -4.187 21.773 -5.881 1.00 0.00 O ATOM 216 CB LEU A 150 -6.423 20.721 -3.726 1.00 0.00 C ATOM 217 CG LEU A 150 -6.166 19.944 -2.434 1.00 0.00 C ATOM 218 CD1 LEU A 150 -6.699 20.710 -1.235 1.00 0.00 C ATOM 219 CD2 LEU A 150 -6.797 18.561 -2.508 1.00 0.00 C ATOM 0 H LEU A 150 -7.268 22.754 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.279 22.363 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.471 21.020 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.264 20.052 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.089 19.825 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -6.507 20.141 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.201 21.677 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.772 20.862 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -6.604 18.023 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.873 18.659 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.367 18.009 -3.344 1.00 0.00 H new ATOM 231 N LYS A 151 -3.294 21.087 -3.934 1.00 0.00 N ATOM 232 CA LYS A 151 -2.022 20.694 -4.529 1.00 0.00 C ATOM 233 C LYS A 151 -1.616 19.296 -4.073 1.00 0.00 C ATOM 234 O LYS A 151 -2.055 18.824 -3.023 1.00 0.00 O ATOM 235 CB LYS A 151 -0.931 21.701 -4.162 1.00 0.00 C ATOM 236 CG LYS A 151 -0.951 22.958 -5.016 1.00 0.00 C ATOM 237 CD LYS A 151 0.129 22.923 -6.087 1.00 0.00 C ATOM 238 CE LYS A 151 0.317 24.287 -6.733 1.00 0.00 C ATOM 239 NZ LYS A 151 1.481 25.021 -6.161 1.00 0.00 N ATOM 0 H LYS A 151 -3.354 20.935 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 151 -2.145 20.681 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 151 -1.044 21.981 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 151 0.043 21.221 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -1.928 23.063 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -0.807 23.832 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.070 22.595 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 151 -0.137 22.191 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 151 0.459 24.163 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 151 -0.587 24.880 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 1.573 25.945 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 1.335 25.163 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 2.349 24.468 -6.313 1.00 0.00 H new ATOM 253 N GLY A 152 -0.776 18.640 -4.867 1.00 0.00 N ATOM 254 CA GLY A 152 -0.326 17.303 -4.527 1.00 0.00 C ATOM 255 C GLY A 152 -0.496 16.323 -5.671 1.00 0.00 C ATOM 256 O GLY A 152 -0.447 16.710 -6.839 1.00 0.00 O ATOM 0 H GLY A 152 -0.399 19.010 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.724 17.340 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -0.883 16.945 -3.661 1.00 0.00 H new ATOM 260 N TYR A 153 -0.698 15.054 -5.335 1.00 0.00 N ATOM 261 CA TYR A 153 -0.878 14.016 -6.344 1.00 0.00 C ATOM 262 C TYR A 153 -2.336 13.930 -6.783 1.00 0.00 C ATOM 263 O TYR A 153 -2.629 13.760 -7.967 1.00 0.00 O ATOM 264 CB TYR A 153 -0.414 12.663 -5.802 1.00 0.00 C ATOM 265 CG TYR A 153 -1.044 12.292 -4.478 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.270 11.642 -4.430 1.00 0.00 C ATOM 267 CD2 TYR A 153 -0.412 12.594 -3.278 1.00 0.00 C ATOM 268 CE1 TYR A 153 -2.849 11.302 -3.222 1.00 0.00 C ATOM 269 CE2 TYR A 153 -0.984 12.255 -2.067 1.00 0.00 C ATOM 270 CZ TYR A 153 -2.203 11.610 -2.044 1.00 0.00 C ATOM 271 OH TYR A 153 -2.777 11.272 -0.840 1.00 0.00 O ATOM 0 H TYR A 153 -0.741 14.719 -4.373 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.272 14.278 -7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.645 11.889 -6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.670 12.680 -5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.779 11.398 -5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 153 0.541 13.102 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.804 10.797 -3.201 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -0.479 12.494 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.193 11.559 -0.107 1.00 0.00 H new ATOM 281 N HIS A 154 -3.247 14.052 -5.822 1.00 0.00 N ATOM 282 CA HIS A 154 -4.676 13.990 -6.112 1.00 0.00 C ATOM 283 C HIS A 154 -5.085 15.069 -7.111 1.00 0.00 C ATOM 284 O HIS A 154 -6.130 14.966 -7.755 1.00 0.00 O ATOM 285 CB HIS A 154 -5.496 14.138 -4.827 1.00 0.00 C ATOM 286 CG HIS A 154 -4.966 15.174 -3.884 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.584 14.889 -2.589 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.758 16.503 -4.052 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.166 15.997 -2.002 1.00 0.00 C ATOM 290 NE2 HIS A 154 -4.260 16.989 -2.868 1.00 0.00 N ATOM 0 H HIS A 154 -3.022 14.194 -4.837 1.00 0.00 H new ATOM 0 HA HIS A 154 -4.879 13.014 -6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.523 14.392 -5.090 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.527 13.176 -4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -4.948 17.073 -4.949 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.808 16.077 -0.986 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -4.004 17.960 -2.687 1.00 0.00 H new ATOM 298 N LYS A 155 -4.260 16.105 -7.238 1.00 0.00 N ATOM 299 CA LYS A 155 -4.543 17.199 -8.158 1.00 0.00 C ATOM 300 C LYS A 155 -4.520 16.716 -9.604 1.00 0.00 C ATOM 301 O LYS A 155 -5.373 17.088 -10.407 1.00 0.00 O ATOM 302 CB LYS A 155 -3.526 18.327 -7.968 1.00 0.00 C ATOM 303 CG LYS A 155 -4.124 19.716 -8.116 1.00 0.00 C ATOM 304 CD LYS A 155 -3.060 20.746 -8.458 1.00 0.00 C ATOM 305 CE LYS A 155 -2.615 20.627 -9.907 1.00 0.00 C ATOM 306 NZ LYS A 155 -1.234 21.146 -10.109 1.00 0.00 N ATOM 0 H LYS A 155 -3.391 16.208 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.541 17.577 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.077 18.237 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.723 18.207 -8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.885 19.705 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -4.622 20.000 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -3.450 21.748 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -2.201 20.615 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -2.659 19.582 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -3.306 21.177 -10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -0.969 21.047 -11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -1.197 22.150 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -0.570 20.605 -9.520 1.00 0.00 H new ATOM 320 N ARG A 156 -3.531 15.887 -9.930 1.00 0.00 N ATOM 321 CA ARG A 156 -3.392 15.355 -11.281 1.00 0.00 C ATOM 322 C ARG A 156 -4.144 14.035 -11.445 1.00 0.00 C ATOM 323 O ARG A 156 -3.724 13.169 -12.212 1.00 0.00 O ATOM 324 CB ARG A 156 -1.913 15.155 -11.619 1.00 0.00 C ATOM 325 CG ARG A 156 -1.637 15.058 -13.110 1.00 0.00 C ATOM 326 CD ARG A 156 -1.446 16.431 -13.731 1.00 0.00 C ATOM 327 NE ARG A 156 -0.034 16.798 -13.828 1.00 0.00 N ATOM 328 CZ ARG A 156 0.430 17.754 -14.629 1.00 0.00 C ATOM 329 NH1 ARG A 156 -0.400 18.441 -15.404 1.00 0.00 N ATOM 330 NH2 ARG A 156 1.728 18.024 -14.654 1.00 0.00 N ATOM 0 H ARG A 156 -2.815 15.570 -9.276 1.00 0.00 H new ATOM 0 HA ARG A 156 -3.828 16.079 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.339 15.984 -11.205 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.557 14.247 -11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -0.745 14.454 -13.277 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -2.465 14.547 -13.602 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -1.893 16.444 -14.725 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -1.974 17.175 -13.134 1.00 0.00 H new ATOM 0 HE ARG A 156 0.635 16.292 -13.248 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -1.399 18.237 -15.388 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -0.039 19.173 -16.016 1.00 0.00 H new ATOM 0 HH21 ARG A 156 2.370 17.499 -14.060 1.00 0.00 H new ATOM 0 HH22 ARG A 156 2.085 18.757 -15.268 1.00 0.00 H new ATOM 344 N HIS A 157 -5.254 13.884 -10.728 1.00 0.00 N ATOM 345 CA HIS A 157 -6.050 12.663 -10.810 1.00 0.00 C ATOM 346 C HIS A 157 -7.539 12.950 -10.626 1.00 0.00 C ATOM 347 O HIS A 157 -8.322 12.043 -10.339 1.00 0.00 O ATOM 348 CB HIS A 157 -5.579 11.655 -9.762 1.00 0.00 C ATOM 349 CG HIS A 157 -4.256 11.033 -10.086 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.043 10.258 -11.206 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.073 11.078 -9.430 1.00 0.00 C ATOM 352 CE1 HIS A 157 -2.785 9.852 -11.224 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.175 10.337 -10.159 1.00 0.00 N ATOM 0 H HIS A 157 -5.621 14.587 -10.087 1.00 0.00 H new ATOM 0 HA HIS A 157 -5.910 12.242 -11.806 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.511 12.153 -8.795 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.327 10.869 -9.663 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.872 11.599 -8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -2.333 9.229 -11.982 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.196 10.186 -9.917 1.00 0.00 H new ATOM 361 N ARG A 158 -7.930 14.213 -10.795 1.00 0.00 N ATOM 362 CA ARG A 158 -9.328 14.613 -10.652 1.00 0.00 C ATOM 363 C ARG A 158 -9.950 14.027 -9.384 1.00 0.00 C ATOM 364 O ARG A 158 -10.997 13.380 -9.436 1.00 0.00 O ATOM 365 CB ARG A 158 -10.131 14.175 -11.879 1.00 0.00 C ATOM 366 CG ARG A 158 -9.701 14.864 -13.163 1.00 0.00 C ATOM 367 CD ARG A 158 -10.604 14.490 -14.325 1.00 0.00 C ATOM 368 NE ARG A 158 -10.555 15.480 -15.400 1.00 0.00 N ATOM 369 CZ ARG A 158 -11.251 15.382 -16.529 1.00 0.00 C ATOM 370 NH1 ARG A 158 -12.052 14.344 -16.737 1.00 0.00 N ATOM 371 NH2 ARG A 158 -11.148 16.326 -17.454 1.00 0.00 N ATOM 0 H ARG A 158 -7.297 14.977 -11.031 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.357 15.700 -10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -10.030 13.097 -12.003 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.187 14.378 -11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -9.718 15.945 -13.021 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -8.672 14.590 -13.397 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -10.307 13.517 -14.715 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -11.630 14.392 -13.970 1.00 0.00 H new ATOM 0 HE ARG A 158 -9.952 16.293 -15.277 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -12.137 13.615 -16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -12.583 14.275 -17.605 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -10.535 17.127 -17.300 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -11.681 16.252 -18.320 1.00 0.00 H new ATOM 385 N VAL A 159 -9.300 14.264 -8.249 1.00 0.00 N ATOM 386 CA VAL A 159 -9.785 13.764 -6.968 1.00 0.00 C ATOM 387 C VAL A 159 -9.362 14.688 -5.830 1.00 0.00 C ATOM 388 O VAL A 159 -8.402 15.446 -5.960 1.00 0.00 O ATOM 389 CB VAL A 159 -9.268 12.338 -6.689 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.748 12.314 -6.661 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.842 11.804 -5.384 1.00 0.00 C ATOM 0 H VAL A 159 -8.434 14.800 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 159 -10.873 13.736 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.603 11.688 -7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.404 11.299 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.361 12.647 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.388 12.979 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.465 10.797 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.543 12.454 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -10.930 11.778 -5.449 1.00 0.00 H new ATOM 401 N CYS A 160 -10.085 14.623 -4.716 1.00 0.00 N ATOM 402 CA CYS A 160 -9.780 15.460 -3.561 1.00 0.00 C ATOM 403 C CYS A 160 -8.983 14.686 -2.514 1.00 0.00 C ATOM 404 O CYS A 160 -8.900 13.459 -2.563 1.00 0.00 O ATOM 405 CB CYS A 160 -11.072 16.014 -2.948 1.00 0.00 C ATOM 406 SG CYS A 160 -12.038 14.806 -2.006 1.00 0.00 S ATOM 0 H CYS A 160 -10.884 14.001 -4.589 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.166 16.294 -3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -10.819 16.848 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.695 16.414 -3.748 1.00 0.00 H new ATOM 0 HG CYS A 160 -12.156 13.711 -2.697 1.00 0.00 H new ATOM 411 N LEU A 161 -8.393 15.415 -1.571 1.00 0.00 N ATOM 412 CA LEU A 161 -7.599 14.803 -0.512 1.00 0.00 C ATOM 413 C LEU A 161 -8.444 13.852 0.330 1.00 0.00 C ATOM 414 O LEU A 161 -7.972 12.800 0.759 1.00 0.00 O ATOM 415 CB LEU A 161 -6.984 15.881 0.383 1.00 0.00 C ATOM 416 CG LEU A 161 -5.877 15.392 1.318 1.00 0.00 C ATOM 417 CD1 LEU A 161 -4.813 16.465 1.492 1.00 0.00 C ATOM 418 CD2 LEU A 161 -6.458 14.988 2.664 1.00 0.00 C ATOM 0 H LEU A 161 -8.450 16.432 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.801 14.229 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.581 16.671 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.776 16.328 0.985 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.408 14.516 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.033 16.099 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.376 16.705 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.266 17.360 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -5.657 14.642 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -6.953 15.846 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.182 14.185 2.522 1.00 0.00 H new ATOM 430 N ARG A 162 -9.695 14.233 0.566 1.00 0.00 N ATOM 431 CA ARG A 162 -10.608 13.417 1.361 1.00 0.00 C ATOM 432 C ARG A 162 -10.751 12.016 0.771 1.00 0.00 C ATOM 433 O ARG A 162 -10.889 11.036 1.502 1.00 0.00 O ATOM 434 CB ARG A 162 -11.979 14.087 1.448 1.00 0.00 C ATOM 435 CG ARG A 162 -12.814 13.615 2.629 1.00 0.00 C ATOM 436 CD ARG A 162 -14.207 13.186 2.193 1.00 0.00 C ATOM 437 NE ARG A 162 -15.170 13.254 3.289 1.00 0.00 N ATOM 438 CZ ARG A 162 -15.270 12.333 4.246 1.00 0.00 C ATOM 439 NH1 ARG A 162 -14.470 11.274 4.244 1.00 0.00 N ATOM 440 NH2 ARG A 162 -16.173 12.472 5.206 1.00 0.00 N ATOM 0 H ARG A 162 -10.101 15.102 0.218 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.189 13.326 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -11.843 15.166 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.527 13.894 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -12.313 12.781 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -12.893 14.417 3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -14.543 13.824 1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -14.168 12.167 1.807 1.00 0.00 H new ATOM 0 HE ARG A 162 -15.803 14.053 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -13.774 11.162 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -14.551 10.572 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -16.791 13.284 5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -16.250 11.767 5.939 1.00 0.00 H new ATOM 454 N CYS A 163 -10.717 11.930 -0.554 1.00 0.00 N ATOM 455 CA CYS A 163 -10.844 10.648 -1.239 1.00 0.00 C ATOM 456 C CYS A 163 -9.513 9.904 -1.253 1.00 0.00 C ATOM 457 O CYS A 163 -9.480 8.674 -1.283 1.00 0.00 O ATOM 458 CB CYS A 163 -11.339 10.859 -2.672 1.00 0.00 C ATOM 459 SG CYS A 163 -13.128 11.095 -2.806 1.00 0.00 S ATOM 0 H CYS A 163 -10.603 12.731 -1.175 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.571 10.044 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -10.836 11.728 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.050 9.999 -3.276 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.385 11.929 -3.770 1.00 0.00 H new ATOM 464 N ALA A 164 -8.417 10.655 -1.228 1.00 0.00 N ATOM 465 CA ALA A 164 -7.085 10.065 -1.238 1.00 0.00 C ATOM 466 C ALA A 164 -6.814 9.295 0.053 1.00 0.00 C ATOM 467 O ALA A 164 -6.123 8.277 0.046 1.00 0.00 O ATOM 468 CB ALA A 164 -6.031 11.142 -1.440 1.00 0.00 C ATOM 0 H ALA A 164 -8.426 11.675 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.035 9.361 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.041 10.686 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.203 11.646 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.092 11.867 -0.629 1.00 0.00 H new ATOM 474 N THR A 165 -7.361 9.792 1.157 1.00 0.00 N ATOM 475 CA THR A 165 -7.176 9.152 2.455 1.00 0.00 C ATOM 476 C THR A 165 -8.339 8.221 2.783 1.00 0.00 C ATOM 477 O THR A 165 -8.174 7.238 3.504 1.00 0.00 O ATOM 478 CB THR A 165 -7.034 10.193 3.581 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.268 10.898 3.755 1.00 0.00 O ATOM 480 CG2 THR A 165 -5.921 11.181 3.266 1.00 0.00 C ATOM 0 H THR A 165 -7.935 10.635 1.180 1.00 0.00 H new ATOM 0 HA THR A 165 -6.257 8.570 2.390 1.00 0.00 H new ATOM 0 HB THR A 165 -6.783 9.667 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 165 -8.170 11.557 4.474 1.00 0.00 H new ATOM 0 HG21 THR A 165 -5.839 11.907 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 165 -4.977 10.645 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 165 -6.148 11.700 2.335 1.00 0.00 H new ATOM 488 N ALA A 166 -9.516 8.539 2.251 1.00 0.00 N ATOM 489 CA ALA A 166 -10.706 7.731 2.490 1.00 0.00 C ATOM 490 C ALA A 166 -10.485 6.285 2.059 1.00 0.00 C ATOM 491 O ALA A 166 -9.626 5.998 1.226 1.00 0.00 O ATOM 492 CB ALA A 166 -11.901 8.323 1.761 1.00 0.00 C ATOM 0 H ALA A 166 -9.670 9.350 1.652 1.00 0.00 H new ATOM 0 HA ALA A 166 -10.908 7.736 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.782 7.709 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.081 9.336 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.698 8.349 0.690 1.00 0.00 H new ATOM 498 N SER A 167 -11.268 5.376 2.633 1.00 0.00 N ATOM 499 CA SER A 167 -11.158 3.958 2.310 1.00 0.00 C ATOM 500 C SER A 167 -11.794 3.659 0.957 1.00 0.00 C ATOM 501 O SER A 167 -11.147 3.113 0.062 1.00 0.00 O ATOM 502 CB SER A 167 -11.822 3.112 3.397 1.00 0.00 C ATOM 503 OG SER A 167 -11.629 3.685 4.679 1.00 0.00 O ATOM 0 H SER A 167 -11.985 5.597 3.324 1.00 0.00 H new ATOM 0 HA SER A 167 -10.099 3.703 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 167 -12.889 3.023 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.409 2.103 3.380 1.00 0.00 H new ATOM 0 HG SER A 167 -12.065 3.126 5.356 1.00 0.00 H new ATOM 509 N PHE A 168 -13.065 4.020 0.813 1.00 0.00 N ATOM 510 CA PHE A 168 -13.789 3.789 -0.433 1.00 0.00 C ATOM 511 C PHE A 168 -14.758 4.931 -0.719 1.00 0.00 C ATOM 512 O PHE A 168 -14.974 5.801 0.125 1.00 0.00 O ATOM 513 CB PHE A 168 -14.549 2.463 -0.367 1.00 0.00 C ATOM 514 CG PHE A 168 -15.618 2.435 0.689 1.00 0.00 C ATOM 515 CD1 PHE A 168 -16.884 2.931 0.425 1.00 0.00 C ATOM 516 CD2 PHE A 168 -15.356 1.912 1.945 1.00 0.00 C ATOM 517 CE1 PHE A 168 -17.868 2.908 1.395 1.00 0.00 C ATOM 518 CE2 PHE A 168 -16.335 1.885 2.918 1.00 0.00 C ATOM 519 CZ PHE A 168 -17.594 2.384 2.644 1.00 0.00 C ATOM 0 H PHE A 168 -13.615 4.473 1.543 1.00 0.00 H new ATOM 0 HA PHE A 168 -13.062 3.743 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -15.004 2.265 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.841 1.657 -0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -17.105 3.340 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -14.374 1.521 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -18.851 3.299 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -16.117 1.474 3.893 1.00 0.00 H new ATOM 0 HZ PHE A 168 -18.362 2.365 3.404 1.00 0.00 H new ATOM 529 N VAL A 169 -15.341 4.920 -1.912 1.00 0.00 N ATOM 530 CA VAL A 169 -16.289 5.954 -2.311 1.00 0.00 C ATOM 531 C VAL A 169 -17.429 5.365 -3.132 1.00 0.00 C ATOM 532 O VAL A 169 -17.210 4.530 -4.011 1.00 0.00 O ATOM 533 CB VAL A 169 -15.600 7.061 -3.130 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.601 7.820 -2.272 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.922 6.472 -4.358 1.00 0.00 C ATOM 0 H VAL A 169 -15.174 4.206 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.690 6.387 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.361 7.765 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.125 8.598 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -15.119 8.276 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.842 7.131 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.440 7.269 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.173 5.744 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.667 5.980 -4.984 1.00 0.00 H new ATOM 545 N VAL A 170 -18.650 5.803 -2.841 1.00 0.00 N ATOM 546 CA VAL A 170 -19.826 5.320 -3.555 1.00 0.00 C ATOM 547 C VAL A 170 -19.922 5.951 -4.939 1.00 0.00 C ATOM 548 O VAL A 170 -20.761 6.820 -5.181 1.00 0.00 O ATOM 549 CB VAL A 170 -21.121 5.615 -2.772 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.317 4.971 -3.455 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.997 5.136 -1.332 1.00 0.00 C ATOM 0 H VAL A 170 -18.850 6.492 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.715 4.241 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.277 6.694 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -23.222 5.190 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.417 5.368 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -22.171 3.892 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.921 5.353 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.815 4.061 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -20.167 5.650 -0.848 1.00 0.00 H new ATOM 561 N LEU A 171 -19.056 5.512 -5.845 1.00 0.00 N ATOM 562 CA LEU A 171 -19.042 6.036 -7.205 1.00 0.00 C ATOM 563 C LEU A 171 -20.365 5.750 -7.911 1.00 0.00 C ATOM 564 O LEU A 171 -21.323 5.290 -7.291 1.00 0.00 O ATOM 565 CB LEU A 171 -17.881 5.432 -7.997 1.00 0.00 C ATOM 566 CG LEU A 171 -17.217 6.381 -8.998 1.00 0.00 C ATOM 567 CD1 LEU A 171 -15.829 6.782 -8.519 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.141 5.741 -10.377 1.00 0.00 C ATOM 0 H LEU A 171 -18.354 4.794 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 171 -18.907 7.116 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.125 5.082 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.245 4.557 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 171 -17.828 7.280 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.374 7.456 -9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -15.908 7.285 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.209 5.892 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.666 6.432 -11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.556 4.823 -10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.147 5.509 -10.726 1.00 0.00 H new ATOM 580 N ASP A 172 -20.410 6.026 -9.212 1.00 0.00 N ATOM 581 CA ASP A 172 -21.616 5.802 -10.003 1.00 0.00 C ATOM 582 C ASP A 172 -22.090 4.356 -9.889 1.00 0.00 C ATOM 583 O ASP A 172 -21.688 3.498 -10.675 1.00 0.00 O ATOM 584 CB ASP A 172 -21.359 6.152 -11.469 1.00 0.00 C ATOM 585 CG ASP A 172 -22.630 6.150 -12.297 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.589 5.448 -11.910 1.00 0.00 O ATOM 587 OD2 ASP A 172 -22.666 6.849 -13.331 1.00 0.00 O ATOM 0 H ASP A 172 -19.624 6.405 -9.741 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.400 6.450 -9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -20.892 7.135 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -20.653 5.438 -11.892 1.00 0.00 H new ATOM 592 N GLY A 173 -22.950 4.095 -8.909 1.00 0.00 N ATOM 593 CA GLY A 173 -23.471 2.753 -8.710 1.00 0.00 C ATOM 594 C GLY A 173 -22.376 1.709 -8.591 1.00 0.00 C ATOM 595 O GLY A 173 -22.577 0.548 -8.946 1.00 0.00 O ATOM 0 H GLY A 173 -23.296 4.790 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.083 2.736 -7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.124 2.494 -9.543 1.00 0.00 H new ATOM 599 N GLU A 174 -21.216 2.123 -8.092 1.00 0.00 N ATOM 600 CA GLU A 174 -20.089 1.212 -7.930 1.00 0.00 C ATOM 601 C GLU A 174 -19.084 1.762 -6.921 1.00 0.00 C ATOM 602 O GLU A 174 -18.522 2.839 -7.115 1.00 0.00 O ATOM 603 CB GLU A 174 -19.401 0.973 -9.275 1.00 0.00 C ATOM 604 CG GLU A 174 -19.992 -0.186 -10.062 1.00 0.00 C ATOM 605 CD GLU A 174 -19.079 -0.659 -11.175 1.00 0.00 C ATOM 606 OE1 GLU A 174 -18.398 0.191 -11.788 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.042 -1.880 -11.434 1.00 0.00 O ATOM 0 H GLU A 174 -21.032 3.081 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.473 0.264 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.468 1.881 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.342 0.782 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -20.193 -1.016 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -20.949 0.118 -10.486 1.00 0.00 H new ATOM 614 N ASN A 175 -18.864 1.011 -5.846 1.00 0.00 N ATOM 615 CA ASN A 175 -17.927 1.422 -4.807 1.00 0.00 C ATOM 616 C ASN A 175 -16.488 1.162 -5.242 1.00 0.00 C ATOM 617 O ASN A 175 -15.986 0.043 -5.126 1.00 0.00 O ATOM 618 CB ASN A 175 -18.221 0.679 -3.503 1.00 0.00 C ATOM 619 CG ASN A 175 -19.625 0.938 -2.995 1.00 0.00 C ATOM 620 OD1 ASN A 175 -20.068 2.084 -2.920 1.00 0.00 O ATOM 621 ND2 ASN A 175 -20.333 -0.129 -2.642 1.00 0.00 N ATOM 0 H ASN A 175 -19.321 0.116 -5.672 1.00 0.00 H new ATOM 0 HA ASN A 175 -18.051 2.492 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -18.086 -0.391 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -17.501 0.984 -2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -21.284 -0.017 -2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -19.925 -1.061 -2.721 1.00 0.00 H new ATOM 628 N LYS A 176 -15.830 2.200 -5.745 1.00 0.00 N ATOM 629 CA LYS A 176 -14.449 2.083 -6.200 1.00 0.00 C ATOM 630 C LYS A 176 -13.488 2.694 -5.187 1.00 0.00 C ATOM 631 O LYS A 176 -13.840 3.626 -4.465 1.00 0.00 O ATOM 632 CB LYS A 176 -14.279 2.765 -7.559 1.00 0.00 C ATOM 633 CG LYS A 176 -15.076 2.105 -8.673 1.00 0.00 C ATOM 634 CD LYS A 176 -14.303 2.095 -9.983 1.00 0.00 C ATOM 635 CE LYS A 176 -14.864 3.106 -10.970 1.00 0.00 C ATOM 636 NZ LYS A 176 -14.578 2.722 -12.380 1.00 0.00 N ATOM 0 H LYS A 176 -16.230 3.132 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.215 1.023 -6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.584 3.808 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.223 2.763 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -15.323 1.082 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -16.019 2.635 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -13.254 2.318 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -14.341 1.098 -10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -15.941 3.192 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -14.436 4.088 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -14.977 3.436 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -13.549 2.664 -12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -15.008 1.797 -12.582 1.00 0.00 H new ATOM 650 N ARG A 177 -12.269 2.164 -5.141 1.00 0.00 N ATOM 651 CA ARG A 177 -11.255 2.659 -4.218 1.00 0.00 C ATOM 652 C ARG A 177 -10.218 3.500 -4.953 1.00 0.00 C ATOM 653 O ARG A 177 -10.230 3.585 -6.180 1.00 0.00 O ATOM 654 CB ARG A 177 -10.572 1.490 -3.505 1.00 0.00 C ATOM 655 CG ARG A 177 -11.545 0.519 -2.854 1.00 0.00 C ATOM 656 CD ARG A 177 -11.175 0.239 -1.407 1.00 0.00 C ATOM 657 NE ARG A 177 -12.343 -0.104 -0.598 1.00 0.00 N ATOM 658 CZ ARG A 177 -12.324 -0.193 0.730 1.00 0.00 C ATOM 659 NH1 ARG A 177 -11.201 0.031 1.401 1.00 0.00 N ATOM 660 NH2 ARG A 177 -13.431 -0.509 1.389 1.00 0.00 N ATOM 0 H ARG A 177 -11.960 1.392 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.747 3.289 -3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -9.957 0.948 -4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.900 1.884 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -12.554 0.930 -2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -11.556 -0.416 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -10.455 -0.579 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -10.685 1.115 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 177 -13.224 -0.286 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -10.347 0.273 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -11.192 -0.039 2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -14.296 -0.684 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -13.417 -0.577 2.407 1.00 0.00 H new ATOM 674 N TYR A 178 -9.321 4.121 -4.193 1.00 0.00 N ATOM 675 CA TYR A 178 -8.278 4.957 -4.773 1.00 0.00 C ATOM 676 C TYR A 178 -6.971 4.183 -4.913 1.00 0.00 C ATOM 677 O TYR A 178 -6.243 3.991 -3.939 1.00 0.00 O ATOM 678 CB TYR A 178 -8.058 6.203 -3.912 1.00 0.00 C ATOM 679 CG TYR A 178 -7.006 7.140 -4.460 1.00 0.00 C ATOM 680 CD1 TYR A 178 -7.264 7.931 -5.572 1.00 0.00 C ATOM 681 CD2 TYR A 178 -5.753 7.234 -3.865 1.00 0.00 C ATOM 682 CE1 TYR A 178 -6.307 8.790 -6.075 1.00 0.00 C ATOM 683 CE2 TYR A 178 -4.790 8.089 -4.363 1.00 0.00 C ATOM 684 CZ TYR A 178 -5.071 8.866 -5.468 1.00 0.00 C ATOM 685 OH TYR A 178 -4.114 9.719 -5.966 1.00 0.00 O ATOM 0 H TYR A 178 -9.296 4.061 -3.175 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.604 5.263 -5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -9.001 6.742 -3.821 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.769 5.894 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -8.230 7.873 -6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -5.529 6.628 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -6.525 9.399 -6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -3.821 8.149 -3.890 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.607 10.111 -5.224 1.00 0.00 H new ATOM 695 N CYS A 179 -6.678 3.744 -6.133 1.00 0.00 N ATOM 696 CA CYS A 179 -5.457 2.993 -6.405 1.00 0.00 C ATOM 697 C CYS A 179 -4.263 3.934 -6.530 1.00 0.00 C ATOM 698 O CYS A 179 -4.142 4.668 -7.509 1.00 0.00 O ATOM 699 CB CYS A 179 -5.615 2.173 -7.685 1.00 0.00 C ATOM 700 SG CYS A 179 -4.162 1.184 -8.115 1.00 0.00 S ATOM 0 H CYS A 179 -7.270 3.895 -6.950 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.278 2.315 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.473 1.510 -7.575 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.838 2.848 -8.511 1.00 0.00 H new ATOM 0 HG CYS A 179 -4.208 0.871 -9.376 1.00 0.00 H new ATOM 705 N GLN A 180 -3.386 3.908 -5.532 1.00 0.00 N ATOM 706 CA GLN A 180 -2.203 4.763 -5.531 1.00 0.00 C ATOM 707 C GLN A 180 -1.209 4.347 -6.615 1.00 0.00 C ATOM 708 O GLN A 180 -0.276 5.086 -6.928 1.00 0.00 O ATOM 709 CB GLN A 180 -1.523 4.720 -4.161 1.00 0.00 C ATOM 710 CG GLN A 180 -1.979 5.823 -3.220 1.00 0.00 C ATOM 711 CD GLN A 180 -0.828 6.667 -2.706 1.00 0.00 C ATOM 712 OE1 GLN A 180 -0.884 7.897 -2.737 1.00 0.00 O ATOM 713 NE2 GLN A 180 0.222 6.009 -2.231 1.00 0.00 N ATOM 0 H GLN A 180 -3.471 3.305 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.530 5.781 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.720 3.754 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.444 4.794 -4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -2.692 6.465 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -2.505 5.379 -2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 180 0.225 4.989 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 180 1.026 6.523 -1.872 1.00 0.00 H new ATOM 722 N GLN A 181 -1.407 3.159 -7.182 1.00 0.00 N ATOM 723 CA GLN A 181 -0.517 2.654 -8.223 1.00 0.00 C ATOM 724 C GLN A 181 -0.800 3.319 -9.568 1.00 0.00 C ATOM 725 O GLN A 181 0.116 3.556 -10.355 1.00 0.00 O ATOM 726 CB GLN A 181 -0.661 1.135 -8.347 1.00 0.00 C ATOM 727 CG GLN A 181 0.554 0.368 -7.856 1.00 0.00 C ATOM 728 CD GLN A 181 0.610 -1.046 -8.399 1.00 0.00 C ATOM 729 OE1 GLN A 181 0.140 -1.987 -7.760 1.00 0.00 O ATOM 730 NE2 GLN A 181 1.188 -1.204 -9.584 1.00 0.00 N ATOM 0 H GLN A 181 -2.173 2.531 -6.939 1.00 0.00 H new ATOM 0 HA GLN A 181 0.506 2.897 -7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -1.536 0.814 -7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -0.844 0.880 -9.391 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.458 0.902 -8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 181 0.542 0.335 -6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 181 1.565 -0.396 -10.080 1.00 0.00 H new ATOM 0 HE22 GLN A 181 1.255 -2.133 -9.999 1.00 0.00 H new ATOM 739 N CYS A 182 -2.071 3.612 -9.831 1.00 0.00 N ATOM 740 CA CYS A 182 -2.464 4.243 -11.089 1.00 0.00 C ATOM 741 C CYS A 182 -3.053 5.633 -10.858 1.00 0.00 C ATOM 742 O CYS A 182 -3.051 6.473 -11.759 1.00 0.00 O ATOM 743 CB CYS A 182 -3.476 3.366 -11.827 1.00 0.00 C ATOM 744 SG CYS A 182 -2.998 1.625 -11.939 1.00 0.00 S ATOM 0 H CYS A 182 -2.844 3.424 -9.193 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.567 4.353 -11.699 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -4.439 3.436 -11.321 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.616 3.759 -12.834 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.917 0.963 -12.578 1.00 0.00 H new ATOM 749 N GLY A 183 -3.557 5.871 -9.652 1.00 0.00 N ATOM 750 CA GLY A 183 -4.142 7.160 -9.336 1.00 0.00 C ATOM 751 C GLY A 183 -5.651 7.167 -9.495 1.00 0.00 C ATOM 752 O GLY A 183 -6.372 7.654 -8.627 1.00 0.00 O ATOM 0 H GLY A 183 -3.571 5.195 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.886 7.430 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.708 7.921 -9.984 1.00 0.00 H new ATOM 756 N LYS A 184 -6.126 6.623 -10.611 1.00 0.00 N ATOM 757 CA LYS A 184 -7.558 6.568 -10.884 1.00 0.00 C ATOM 758 C LYS A 184 -8.273 5.682 -9.869 1.00 0.00 C ATOM 759 O LYS A 184 -7.644 5.113 -8.977 1.00 0.00 O ATOM 760 CB LYS A 184 -7.807 6.042 -12.299 1.00 0.00 C ATOM 761 CG LYS A 184 -7.299 4.626 -12.519 1.00 0.00 C ATOM 762 CD LYS A 184 -7.877 4.014 -13.784 1.00 0.00 C ATOM 763 CE LYS A 184 -6.906 4.117 -14.950 1.00 0.00 C ATOM 764 NZ LYS A 184 -6.714 2.806 -15.630 1.00 0.00 N ATOM 0 H LYS A 184 -5.541 6.215 -11.340 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.957 7.579 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -8.877 6.072 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -7.325 6.708 -13.015 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -6.211 4.635 -12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -7.563 4.007 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -8.120 2.967 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -8.809 4.518 -14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -7.278 4.848 -15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -5.945 4.484 -14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -6.045 2.919 -16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -6.335 2.115 -14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -7.627 2.468 -15.996 1.00 0.00 H new ATOM 778 N PHE A 185 -9.590 5.570 -10.011 1.00 0.00 N ATOM 779 CA PHE A 185 -10.390 4.753 -9.108 1.00 0.00 C ATOM 780 C PHE A 185 -10.573 3.344 -9.663 1.00 0.00 C ATOM 781 O PHE A 185 -10.732 3.159 -10.870 1.00 0.00 O ATOM 782 CB PHE A 185 -11.756 5.402 -8.876 1.00 0.00 C ATOM 783 CG PHE A 185 -11.693 6.669 -8.072 1.00 0.00 C ATOM 784 CD1 PHE A 185 -11.167 6.667 -6.791 1.00 0.00 C ATOM 785 CD2 PHE A 185 -12.158 7.863 -8.601 1.00 0.00 C ATOM 786 CE1 PHE A 185 -11.106 7.832 -6.049 1.00 0.00 C ATOM 787 CE2 PHE A 185 -12.100 9.031 -7.864 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.574 9.015 -6.587 1.00 0.00 C ATOM 0 H PHE A 185 -10.125 6.036 -10.744 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.860 4.683 -8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -12.215 5.617 -9.841 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.405 4.690 -8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.800 5.744 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.570 7.881 -9.599 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.693 7.817 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.466 9.955 -8.286 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.529 9.927 -6.010 1.00 0.00 H new ATOM 798 N HIS A 186 -10.546 2.355 -8.776 1.00 0.00 N ATOM 799 CA HIS A 186 -10.708 0.963 -9.178 1.00 0.00 C ATOM 800 C HIS A 186 -11.882 0.318 -8.448 1.00 0.00 C ATOM 801 O HIS A 186 -12.278 0.765 -7.373 1.00 0.00 O ATOM 802 CB HIS A 186 -9.426 0.175 -8.899 1.00 0.00 C ATOM 803 CG HIS A 186 -8.344 0.413 -9.907 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.594 0.810 -11.204 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.998 0.306 -9.803 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.451 0.936 -11.852 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.468 0.637 -11.025 1.00 0.00 N ATOM 0 H HIS A 186 -10.413 2.492 -7.774 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.913 0.943 -10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -9.054 0.441 -7.910 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.661 -0.889 -8.876 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.445 0.015 -8.922 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -7.340 1.233 -12.884 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -5.475 0.650 -11.256 1.00 0.00 H new ATOM 815 N LEU A 187 -12.434 -0.734 -9.042 1.00 0.00 N ATOM 816 CA LEU A 187 -13.566 -1.441 -8.450 1.00 0.00 C ATOM 817 C LEU A 187 -13.151 -2.164 -7.172 1.00 0.00 C ATOM 818 O LEU A 187 -12.017 -2.629 -7.050 1.00 0.00 O ATOM 819 CB LEU A 187 -14.153 -2.437 -9.454 1.00 0.00 C ATOM 820 CG LEU A 187 -15.588 -2.144 -9.894 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.596 -1.245 -11.120 1.00 0.00 C ATOM 822 CD2 LEU A 187 -16.334 -3.440 -10.174 1.00 0.00 C ATOM 0 H LEU A 187 -12.117 -1.117 -9.933 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.329 -0.706 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.515 -2.457 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -14.120 -3.434 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 187 -16.098 -1.623 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -16.625 -1.047 -11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -15.099 -0.304 -10.884 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.069 -1.739 -11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -17.353 -3.213 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -15.826 -3.988 -10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -16.358 -4.048 -9.270 1.00 0.00 H new ATOM 834 N LEU A 188 -14.078 -2.256 -6.223 1.00 0.00 N ATOM 835 CA LEU A 188 -13.813 -2.923 -4.955 1.00 0.00 C ATOM 836 C LEU A 188 -13.598 -4.431 -5.135 1.00 0.00 C ATOM 837 O LEU A 188 -12.718 -5.008 -4.496 1.00 0.00 O ATOM 838 CB LEU A 188 -14.954 -2.664 -3.963 1.00 0.00 C ATOM 839 CG LEU A 188 -14.542 -1.929 -2.687 1.00 0.00 C ATOM 840 CD1 LEU A 188 -15.719 -1.154 -2.116 1.00 0.00 C ATOM 841 CD2 LEU A 188 -14.000 -2.911 -1.659 1.00 0.00 C ATOM 0 H LEU A 188 -15.021 -1.876 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.890 -2.504 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.728 -2.084 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -15.400 -3.619 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 188 -13.752 -1.220 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -15.408 -0.637 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -16.064 -0.425 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -16.529 -1.844 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -13.711 -2.371 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -14.770 -3.643 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -13.130 -3.424 -2.069 1.00 0.00 H new ATOM 853 N PRO A 189 -14.391 -5.106 -5.998 1.00 0.00 N ATOM 854 CA PRO A 189 -14.243 -6.551 -6.217 1.00 0.00 C ATOM 855 C PRO A 189 -12.907 -6.912 -6.862 1.00 0.00 C ATOM 856 O PRO A 189 -12.516 -8.078 -6.886 1.00 0.00 O ATOM 857 CB PRO A 189 -15.403 -6.901 -7.154 1.00 0.00 C ATOM 858 CG PRO A 189 -15.753 -5.621 -7.826 1.00 0.00 C ATOM 859 CD PRO A 189 -15.480 -4.538 -6.821 1.00 0.00 C ATOM 0 HA PRO A 189 -14.261 -7.102 -5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.110 -7.660 -7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.252 -7.301 -6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.156 -5.477 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -16.799 -5.614 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -15.177 -3.609 -7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.362 -4.313 -6.222 1.00 0.00 H new ATOM 867 N ASP A 190 -12.208 -5.907 -7.383 1.00 0.00 N ATOM 868 CA ASP A 190 -10.917 -6.127 -8.023 1.00 0.00 C ATOM 869 C ASP A 190 -9.773 -5.846 -7.051 1.00 0.00 C ATOM 870 O ASP A 190 -8.727 -5.330 -7.442 1.00 0.00 O ATOM 871 CB ASP A 190 -10.780 -5.239 -9.261 1.00 0.00 C ATOM 872 CG ASP A 190 -11.712 -5.660 -10.380 1.00 0.00 C ATOM 873 OD1 ASP A 190 -11.998 -6.871 -10.492 1.00 0.00 O ATOM 874 OD2 ASP A 190 -12.157 -4.779 -11.146 1.00 0.00 O ATOM 0 H ASP A 190 -12.514 -4.934 -7.374 1.00 0.00 H new ATOM 0 HA ASP A 190 -10.863 -7.172 -8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -10.989 -4.205 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -9.750 -5.273 -9.617 1.00 0.00 H new