USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 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 -170:sc= -0.446 USER MOD Set 1.2: A 182 CYS SG : rot 180:sc= 0.00587 USER MOD Set 1.3: A 186 HIS : no HD1:sc= -0.666 X(o=-1.1,f=-0.62) USER MOD Set 2.1: A 138 CYS SG : rot -99:sc= -4.28! USER MOD Set 2.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 160 CYS SG : rot 180:sc= -0.554 USER MOD Set 2.4: A 163 CYS SG : rot 144:sc= -1.93! USER MOD Single : A 139 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.5) USER MOD Single : A 148 SER OG : rot -111:sc= 0.0721 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 HIS : no HD1:sc= -5.87! C(o=-5.9!,f=-6.2!) USER MOD Single : A 155 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.036) USER MOD Single : A 157 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-0.8) USER MOD Single : A 165 THR OG1 : rot -74:sc= 0.131 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 175 ASN : amide:sc= -0.772 K(o=-0.77,f=-3.4!) USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 TYR OH : rot -84:sc= 1.13 USER MOD Single : A 180 GLN : amide:sc= 0.526 K(o=0.53,f=-2.3!) 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 -8.074 19.797 -12.345 1.00 0.00 N ATOM 18 CA ALA A 136 -8.098 19.450 -10.929 1.00 0.00 C ATOM 19 C ALA A 136 -9.504 19.589 -10.354 1.00 0.00 C ATOM 20 O ALA A 136 -9.880 20.653 -9.859 1.00 0.00 O ATOM 21 CB ALA A 136 -7.120 20.323 -10.156 1.00 0.00 C ATOM 0 HA ALA A 136 -7.795 18.408 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.148 20.054 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.112 20.171 -10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.398 21.371 -10.271 1.00 0.00 H new ATOM 27 N ARG A 137 -10.277 18.511 -10.425 1.00 0.00 N ATOM 28 CA ARG A 137 -11.644 18.514 -9.914 1.00 0.00 C ATOM 29 C ARG A 137 -12.133 17.091 -9.662 1.00 0.00 C ATOM 30 O ARG A 137 -12.255 16.295 -10.593 1.00 0.00 O ATOM 31 CB ARG A 137 -12.574 19.221 -10.901 1.00 0.00 C ATOM 32 CG ARG A 137 -14.041 19.181 -10.499 1.00 0.00 C ATOM 33 CD ARG A 137 -14.904 18.564 -11.589 1.00 0.00 C ATOM 34 NE ARG A 137 -16.274 18.334 -11.137 1.00 0.00 N ATOM 35 CZ ARG A 137 -17.185 19.297 -11.010 1.00 0.00 C ATOM 36 NH1 ARG A 137 -16.876 20.554 -11.301 1.00 0.00 N ATOM 37 NH2 ARG A 137 -18.408 19.000 -10.594 1.00 0.00 N ATOM 0 H ARG A 137 -9.981 17.624 -10.831 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.653 19.053 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.262 20.261 -10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.463 18.761 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.151 18.607 -9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.389 20.192 -10.288 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.915 19.221 -12.459 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.464 17.619 -11.909 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.549 17.380 -10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.937 20.787 -11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.578 21.288 -11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -18.651 18.035 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -19.106 19.737 -10.496 1.00 0.00 H new ATOM 51 N CYS A 138 -12.425 16.778 -8.402 1.00 0.00 N ATOM 52 CA CYS A 138 -12.913 15.451 -8.043 1.00 0.00 C ATOM 53 C CYS A 138 -14.216 15.153 -8.778 1.00 0.00 C ATOM 54 O CYS A 138 -15.289 15.591 -8.366 1.00 0.00 O ATOM 55 CB CYS A 138 -13.122 15.348 -6.530 1.00 0.00 C ATOM 56 SG CYS A 138 -13.295 13.651 -5.928 1.00 0.00 S ATOM 0 H CYS A 138 -12.333 17.422 -7.617 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.166 14.715 -8.339 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.279 15.819 -6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.013 15.913 -6.257 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.555 13.372 -5.772 1.00 0.00 H new ATOM 61 N GLN A 139 -14.104 14.421 -9.883 1.00 0.00 N ATOM 62 CA GLN A 139 -15.265 14.078 -10.702 1.00 0.00 C ATOM 63 C GLN A 139 -15.947 12.793 -10.229 1.00 0.00 C ATOM 64 O GLN A 139 -16.345 11.961 -11.043 1.00 0.00 O ATOM 65 CB GLN A 139 -14.851 13.934 -12.169 1.00 0.00 C ATOM 66 CG GLN A 139 -13.749 12.910 -12.399 1.00 0.00 C ATOM 67 CD GLN A 139 -14.288 11.545 -12.778 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.236 11.431 -13.555 1.00 0.00 O ATOM 69 NE2 GLN A 139 -13.684 10.499 -12.227 1.00 0.00 N ATOM 0 H GLN A 139 -13.220 14.053 -10.233 1.00 0.00 H new ATOM 0 HA GLN A 139 -15.984 14.891 -10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -15.724 13.652 -12.757 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.517 14.903 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.087 13.266 -13.188 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.148 12.820 -11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -12.902 10.640 -11.588 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.002 9.554 -12.443 1.00 0.00 H new ATOM 78 N VAL A 140 -16.098 12.640 -8.919 1.00 0.00 N ATOM 79 CA VAL A 140 -16.753 11.461 -8.368 1.00 0.00 C ATOM 80 C VAL A 140 -18.257 11.700 -8.229 1.00 0.00 C ATOM 81 O VAL A 140 -18.681 12.621 -7.531 1.00 0.00 O ATOM 82 CB VAL A 140 -16.172 11.076 -6.995 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.743 9.744 -6.523 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.653 11.022 -7.056 1.00 0.00 C ATOM 0 H VAL A 140 -15.778 13.313 -8.223 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.573 10.640 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.458 11.841 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.320 9.491 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.827 9.823 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.492 8.965 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.259 10.748 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.345 10.279 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.265 12.000 -7.343 1.00 0.00 H new ATOM 94 N PRO A 141 -19.087 10.879 -8.902 1.00 0.00 N ATOM 95 CA PRO A 141 -20.546 11.012 -8.855 1.00 0.00 C ATOM 96 C PRO A 141 -21.075 11.347 -7.463 1.00 0.00 C ATOM 97 O PRO A 141 -21.844 12.292 -7.292 1.00 0.00 O ATOM 98 CB PRO A 141 -21.023 9.630 -9.292 1.00 0.00 C ATOM 99 CG PRO A 141 -19.971 9.154 -10.234 1.00 0.00 C ATOM 100 CD PRO A 141 -18.669 9.758 -9.767 1.00 0.00 C ATOM 0 HA PRO A 141 -20.900 11.831 -9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.127 8.958 -8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.997 9.681 -9.778 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -19.915 8.065 -10.234 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.197 9.462 -11.255 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -18.067 9.034 -9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.066 10.104 -10.606 1.00 0.00 H new ATOM 108 N ASP A 142 -20.663 10.564 -6.471 1.00 0.00 N ATOM 109 CA ASP A 142 -21.101 10.781 -5.097 1.00 0.00 C ATOM 110 C ASP A 142 -20.346 11.938 -4.448 1.00 0.00 C ATOM 111 O ASP A 142 -20.851 12.575 -3.525 1.00 0.00 O ATOM 112 CB ASP A 142 -20.912 9.507 -4.272 1.00 0.00 C ATOM 113 CG ASP A 142 -19.500 8.962 -4.363 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.072 8.607 -5.480 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.825 8.890 -3.315 1.00 0.00 O ATOM 0 H ASP A 142 -20.028 9.775 -6.593 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.160 11.039 -5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.152 9.714 -3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.614 8.748 -4.616 1.00 0.00 H new ATOM 120 N CYS A 143 -19.135 12.201 -4.931 1.00 0.00 N ATOM 121 CA CYS A 143 -18.319 13.283 -4.386 1.00 0.00 C ATOM 122 C CYS A 143 -17.881 14.251 -5.482 1.00 0.00 C ATOM 123 O CYS A 143 -16.882 14.022 -6.165 1.00 0.00 O ATOM 124 CB CYS A 143 -17.093 12.712 -3.669 1.00 0.00 C ATOM 125 SG CYS A 143 -16.001 13.967 -2.957 1.00 0.00 S ATOM 0 H CYS A 143 -18.699 11.684 -5.694 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.928 13.835 -3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.428 12.045 -2.875 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.522 12.107 -4.374 1.00 0.00 H new ATOM 0 HG CYS A 143 -14.996 13.386 -2.372 1.00 0.00 H new ATOM 130 N GLU A 144 -18.632 15.337 -5.637 1.00 0.00 N ATOM 131 CA GLU A 144 -18.318 16.348 -6.642 1.00 0.00 C ATOM 132 C GLU A 144 -17.525 17.491 -6.017 1.00 0.00 C ATOM 133 O GLU A 144 -18.071 18.556 -5.730 1.00 0.00 O ATOM 134 CB GLU A 144 -19.603 16.886 -7.277 1.00 0.00 C ATOM 135 CG GLU A 144 -20.469 15.807 -7.903 1.00 0.00 C ATOM 136 CD GLU A 144 -21.597 15.362 -6.992 1.00 0.00 C ATOM 137 OE1 GLU A 144 -21.329 14.589 -6.050 1.00 0.00 O ATOM 138 OE2 GLU A 144 -22.749 15.788 -7.222 1.00 0.00 O ATOM 0 H GLU A 144 -19.462 15.540 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.710 15.884 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.182 17.410 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -19.342 17.619 -8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -20.888 16.179 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -19.848 14.947 -8.152 1.00 0.00 H new ATOM 145 N ALA A 145 -16.236 17.256 -5.799 1.00 0.00 N ATOM 146 CA ALA A 145 -15.365 18.260 -5.199 1.00 0.00 C ATOM 147 C ALA A 145 -14.720 19.147 -6.257 1.00 0.00 C ATOM 148 O ALA A 145 -14.462 18.709 -7.378 1.00 0.00 O ATOM 149 CB ALA A 145 -14.296 17.586 -4.351 1.00 0.00 C ATOM 0 H ALA A 145 -15.771 16.378 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 145 -15.978 18.898 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.651 18.345 -3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -14.771 17.006 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.699 16.923 -4.977 1.00 0.00 H new ATOM 155 N ASP A 146 -14.459 20.398 -5.889 1.00 0.00 N ATOM 156 CA ASP A 146 -13.840 21.354 -6.802 1.00 0.00 C ATOM 157 C ASP A 146 -12.397 21.636 -6.394 1.00 0.00 C ATOM 158 O ASP A 146 -12.038 22.770 -6.078 1.00 0.00 O ATOM 159 CB ASP A 146 -14.642 22.656 -6.830 1.00 0.00 C ATOM 160 CG ASP A 146 -14.194 23.586 -7.941 1.00 0.00 C ATOM 161 OD1 ASP A 146 -14.193 23.154 -9.112 1.00 0.00 O ATOM 162 OD2 ASP A 146 -13.845 24.746 -7.638 1.00 0.00 O ATOM 0 H ASP A 146 -14.667 20.774 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.837 20.919 -7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.700 22.426 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.539 23.164 -5.871 1.00 0.00 H new ATOM 167 N ILE A 147 -11.573 20.591 -6.400 1.00 0.00 N ATOM 168 CA ILE A 147 -10.169 20.721 -6.030 1.00 0.00 C ATOM 169 C ILE A 147 -9.390 21.507 -7.083 1.00 0.00 C ATOM 170 O ILE A 147 -8.527 20.960 -7.772 1.00 0.00 O ATOM 171 CB ILE A 147 -9.512 19.339 -5.841 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.614 18.523 -7.132 1.00 0.00 C ATOM 173 CG2 ILE A 147 -10.163 18.596 -4.682 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.325 17.827 -7.514 1.00 0.00 C ATOM 0 H ILE A 147 -11.855 19.645 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 147 -10.138 21.263 -5.085 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.457 19.482 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.400 17.776 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -9.916 19.183 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.688 17.622 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -10.043 19.174 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -11.225 18.459 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.473 17.269 -8.438 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.540 18.569 -7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -8.032 17.141 -6.719 1.00 0.00 H new ATOM 186 N SER A 148 -9.700 22.794 -7.207 1.00 0.00 N ATOM 187 CA SER A 148 -9.030 23.652 -8.178 1.00 0.00 C ATOM 188 C SER A 148 -7.705 24.171 -7.628 1.00 0.00 C ATOM 189 O SER A 148 -6.765 24.421 -8.382 1.00 0.00 O ATOM 190 CB SER A 148 -9.932 24.827 -8.560 1.00 0.00 C ATOM 191 OG SER A 148 -10.620 25.331 -7.428 1.00 0.00 O ATOM 0 H SER A 148 -10.411 23.265 -6.647 1.00 0.00 H new ATOM 0 HA SER A 148 -8.823 23.056 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 148 -9.332 25.619 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 148 -10.651 24.507 -9.314 1.00 0.00 H new ATOM 0 HG SER A 148 -11.576 25.130 -7.510 1.00 0.00 H new ATOM 197 N GLU A 149 -7.638 24.335 -6.310 1.00 0.00 N ATOM 198 CA GLU A 149 -6.427 24.827 -5.663 1.00 0.00 C ATOM 199 C GLU A 149 -5.973 23.877 -4.557 1.00 0.00 C ATOM 200 O GLU A 149 -5.928 24.247 -3.384 1.00 0.00 O ATOM 201 CB GLU A 149 -6.664 26.225 -5.088 1.00 0.00 C ATOM 202 CG GLU A 149 -6.850 27.296 -6.149 1.00 0.00 C ATOM 203 CD GLU A 149 -5.541 27.946 -6.556 1.00 0.00 C ATOM 204 OE1 GLU A 149 -4.713 27.263 -7.192 1.00 0.00 O ATOM 205 OE2 GLU A 149 -5.346 29.138 -6.237 1.00 0.00 O ATOM 0 H GLU A 149 -8.407 24.135 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.639 24.879 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -7.547 26.201 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -5.820 26.496 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -7.321 26.854 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -7.530 28.061 -5.773 1.00 0.00 H new ATOM 212 N LEU A 150 -5.639 22.649 -4.941 1.00 0.00 N ATOM 213 CA LEU A 150 -5.187 21.645 -3.983 1.00 0.00 C ATOM 214 C LEU A 150 -3.765 21.191 -4.302 1.00 0.00 C ATOM 215 O LEU A 150 -3.432 20.925 -5.456 1.00 0.00 O ATOM 216 CB LEU A 150 -6.137 20.445 -3.988 1.00 0.00 C ATOM 217 CG LEU A 150 -6.661 20.029 -2.613 1.00 0.00 C ATOM 218 CD1 LEU A 150 -7.674 21.041 -2.103 1.00 0.00 C ATOM 219 CD2 LEU A 150 -7.278 18.638 -2.677 1.00 0.00 C ATOM 0 H LEU A 150 -5.673 22.325 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.188 22.095 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.987 20.677 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.622 19.595 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.823 20.001 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -8.037 20.730 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -7.201 22.020 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -8.511 21.100 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.646 18.357 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -8.106 18.639 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.524 17.920 -3.001 1.00 0.00 H new ATOM 231 N LYS A 151 -2.933 21.103 -3.270 1.00 0.00 N ATOM 232 CA LYS A 151 -1.548 20.679 -3.439 1.00 0.00 C ATOM 233 C LYS A 151 -1.409 19.176 -3.222 1.00 0.00 C ATOM 234 O LYS A 151 -2.129 18.585 -2.415 1.00 0.00 O ATOM 235 CB LYS A 151 -0.640 21.433 -2.463 1.00 0.00 C ATOM 236 CG LYS A 151 -0.370 22.871 -2.873 1.00 0.00 C ATOM 237 CD LYS A 151 0.994 23.340 -2.392 1.00 0.00 C ATOM 238 CE LYS A 151 0.956 24.790 -1.936 1.00 0.00 C ATOM 239 NZ LYS A 151 2.315 25.310 -1.625 1.00 0.00 N ATOM 0 H LYS A 151 -3.193 21.320 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 151 -1.245 20.910 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 151 -1.098 21.426 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 151 0.309 20.903 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -0.424 22.957 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -1.144 23.519 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.328 22.708 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 151 1.722 23.229 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 151 0.502 25.403 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 151 0.323 24.876 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 2.246 26.301 -1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 2.739 24.741 -0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 2.912 25.252 -2.475 1.00 0.00 H new ATOM 253 N GLY A 152 -0.478 18.562 -3.945 1.00 0.00 N ATOM 254 CA GLY A 152 -0.261 17.133 -3.817 1.00 0.00 C ATOM 255 C GLY A 152 -0.325 16.414 -5.151 1.00 0.00 C ATOM 256 O GLY A 152 0.103 16.948 -6.173 1.00 0.00 O ATOM 0 H GLY A 152 0.130 19.029 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.712 16.956 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -1.010 16.714 -3.146 1.00 0.00 H new ATOM 260 N TYR A 153 -0.861 15.197 -5.138 1.00 0.00 N ATOM 261 CA TYR A 153 -0.980 14.402 -6.355 1.00 0.00 C ATOM 262 C TYR A 153 -2.437 14.273 -6.786 1.00 0.00 C ATOM 263 O TYR A 153 -2.735 14.139 -7.973 1.00 0.00 O ATOM 264 CB TYR A 153 -0.374 13.013 -6.145 1.00 0.00 C ATOM 265 CG TYR A 153 -0.760 12.376 -4.829 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.053 11.919 -4.609 1.00 0.00 C ATOM 267 CD2 TYR A 153 0.170 12.231 -3.806 1.00 0.00 C ATOM 268 CE1 TYR A 153 -2.408 11.336 -3.407 1.00 0.00 C ATOM 269 CE2 TYR A 153 -0.177 11.649 -2.602 1.00 0.00 C ATOM 270 CZ TYR A 153 -1.468 11.204 -2.407 1.00 0.00 C ATOM 271 OH TYR A 153 -1.819 10.623 -1.210 1.00 0.00 O ATOM 0 H TYR A 153 -1.219 14.741 -4.299 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.432 14.915 -7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.689 12.362 -6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.712 13.088 -6.198 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.793 12.021 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 153 1.181 12.579 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.418 10.985 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 153 0.558 11.543 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.041 10.606 -0.614 1.00 0.00 H new ATOM 281 N HIS A 154 -3.345 14.314 -5.813 1.00 0.00 N ATOM 282 CA HIS A 154 -4.773 14.202 -6.094 1.00 0.00 C ATOM 283 C HIS A 154 -5.230 15.280 -7.075 1.00 0.00 C ATOM 284 O HIS A 154 -6.255 15.132 -7.739 1.00 0.00 O ATOM 285 CB HIS A 154 -5.584 14.300 -4.799 1.00 0.00 C ATOM 286 CG HIS A 154 -5.090 15.348 -3.851 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.636 15.059 -2.582 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.980 16.691 -3.991 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.271 16.177 -1.980 1.00 0.00 C ATOM 290 NE2 HIS A 154 -4.467 17.182 -2.815 1.00 0.00 N ATOM 0 H HIS A 154 -3.117 14.424 -4.825 1.00 0.00 H new ATOM 0 HA HIS A 154 -4.945 13.227 -6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.624 14.511 -5.048 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.566 13.333 -4.297 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -5.246 17.268 -4.864 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.879 16.256 -0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -4.269 18.163 -2.618 1.00 0.00 H new ATOM 298 N LYS A 155 -4.466 16.364 -7.160 1.00 0.00 N ATOM 299 CA LYS A 155 -4.799 17.464 -8.059 1.00 0.00 C ATOM 300 C LYS A 155 -4.724 17.019 -9.516 1.00 0.00 C ATOM 301 O LYS A 155 -5.593 17.349 -10.322 1.00 0.00 O ATOM 302 CB LYS A 155 -3.856 18.644 -7.825 1.00 0.00 C ATOM 303 CG LYS A 155 -4.235 19.890 -8.610 1.00 0.00 C ATOM 304 CD LYS A 155 -3.005 20.664 -9.057 1.00 0.00 C ATOM 305 CE LYS A 155 -2.682 20.401 -10.519 1.00 0.00 C ATOM 306 NZ LYS A 155 -3.417 21.327 -11.425 1.00 0.00 N ATOM 0 H LYS A 155 -3.613 16.505 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.821 17.777 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.844 18.884 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.843 18.348 -8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.824 19.606 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -4.866 20.531 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -3.170 21.731 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -2.152 20.383 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -1.610 20.511 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -2.937 19.371 -10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -3.362 20.974 -12.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -4.413 21.381 -11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -2.990 22.274 -11.375 1.00 0.00 H new ATOM 320 N ARG A 156 -3.676 16.269 -9.848 1.00 0.00 N ATOM 321 CA ARG A 156 -3.485 15.780 -11.210 1.00 0.00 C ATOM 322 C ARG A 156 -4.141 14.416 -11.415 1.00 0.00 C ATOM 323 O ARG A 156 -3.648 13.593 -12.187 1.00 0.00 O ATOM 324 CB ARG A 156 -1.993 15.692 -11.534 1.00 0.00 C ATOM 325 CG ARG A 156 -1.685 15.805 -13.020 1.00 0.00 C ATOM 326 CD ARG A 156 -0.698 14.740 -13.470 1.00 0.00 C ATOM 327 NE ARG A 156 0.654 15.276 -13.624 1.00 0.00 N ATOM 328 CZ ARG A 156 1.058 15.976 -14.681 1.00 0.00 C ATOM 329 NH1 ARG A 156 0.220 16.228 -15.679 1.00 0.00 N ATOM 330 NH2 ARG A 156 2.303 16.428 -14.740 1.00 0.00 N ATOM 0 H ARG A 156 -2.947 15.987 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 156 -3.963 16.489 -11.886 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.467 16.484 -11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.604 14.744 -11.162 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.608 15.711 -13.592 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -1.277 16.793 -13.233 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -0.685 13.927 -12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -1.030 14.315 -14.417 1.00 0.00 H new ATOM 0 HE ARG A 156 1.327 15.103 -12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -0.740 15.885 -15.638 1.00 0.00 H new ATOM 0 HH12 ARG A 156 0.536 16.765 -16.487 1.00 0.00 H new ATOM 0 HH21 ARG A 156 2.951 16.239 -13.975 1.00 0.00 H new ATOM 0 HH22 ARG A 156 2.613 16.965 -15.550 1.00 0.00 H new ATOM 344 N HIS A 157 -5.254 14.177 -10.726 1.00 0.00 N ATOM 345 CA HIS A 157 -5.965 12.908 -10.847 1.00 0.00 C ATOM 346 C HIS A 157 -7.471 13.096 -10.675 1.00 0.00 C ATOM 347 O HIS A 157 -8.193 12.141 -10.389 1.00 0.00 O ATOM 348 CB HIS A 157 -5.444 11.909 -9.812 1.00 0.00 C ATOM 349 CG HIS A 157 -4.162 11.247 -10.213 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.115 10.061 -10.913 1.00 0.00 N ATOM 351 CD2 HIS A 157 -2.875 11.615 -10.009 1.00 0.00 C ATOM 352 CE1 HIS A 157 -2.853 9.726 -11.121 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.081 10.651 -10.585 1.00 0.00 N ATOM 0 H HIS A 157 -5.681 14.842 -10.081 1.00 0.00 H new ATOM 0 HA HIS A 157 -5.783 12.518 -11.848 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.296 12.425 -8.863 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.202 11.144 -9.644 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.536 12.500 -9.491 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -2.512 8.844 -11.642 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.061 10.651 -10.596 1.00 0.00 H new ATOM 361 N ARG A 158 -7.940 14.329 -10.856 1.00 0.00 N ATOM 362 CA ARG A 158 -9.363 14.639 -10.724 1.00 0.00 C ATOM 363 C ARG A 158 -9.953 14.021 -9.458 1.00 0.00 C ATOM 364 O ARG A 158 -10.943 13.289 -9.514 1.00 0.00 O ATOM 365 CB ARG A 158 -10.126 14.145 -11.954 1.00 0.00 C ATOM 366 CG ARG A 158 -9.784 14.906 -13.225 1.00 0.00 C ATOM 367 CD ARG A 158 -10.268 14.168 -14.464 1.00 0.00 C ATOM 368 NE ARG A 158 -9.769 12.796 -14.514 1.00 0.00 N ATOM 369 CZ ARG A 158 -10.174 11.892 -15.404 1.00 0.00 C ATOM 370 NH1 ARG A 158 -11.079 12.213 -16.321 1.00 0.00 N ATOM 371 NH2 ARG A 158 -9.671 10.665 -15.379 1.00 0.00 N ATOM 0 H ARG A 158 -7.356 15.130 -11.095 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.464 15.722 -10.648 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -9.911 13.087 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.196 14.229 -11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -10.237 15.897 -13.190 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -8.705 15.051 -13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -11.358 14.158 -14.477 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -9.943 14.705 -15.355 1.00 0.00 H new ATOM 0 HE ARG A 158 -9.070 12.514 -13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -11.467 13.156 -16.346 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -11.386 11.517 -17.000 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -8.974 10.414 -14.678 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -9.981 9.973 -16.061 1.00 0.00 H new ATOM 385 N VAL A 159 -9.341 14.323 -8.319 1.00 0.00 N ATOM 386 CA VAL A 159 -9.803 13.804 -7.037 1.00 0.00 C ATOM 387 C VAL A 159 -9.395 14.731 -5.897 1.00 0.00 C ATOM 388 O VAL A 159 -8.412 15.463 -6.003 1.00 0.00 O ATOM 389 CB VAL A 159 -9.248 12.390 -6.772 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.728 12.403 -6.754 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.800 11.833 -5.467 1.00 0.00 C ATOM 0 H VAL A 159 -8.521 14.927 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 159 -10.891 13.750 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.571 11.738 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.358 11.395 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.356 12.752 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.379 13.071 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.397 10.835 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.512 12.485 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -10.887 11.780 -5.525 1.00 0.00 H new ATOM 401 N CYS A 160 -10.156 14.699 -4.809 1.00 0.00 N ATOM 402 CA CYS A 160 -9.871 15.544 -3.655 1.00 0.00 C ATOM 403 C CYS A 160 -9.068 14.784 -2.601 1.00 0.00 C ATOM 404 O CYS A 160 -9.012 13.554 -2.615 1.00 0.00 O ATOM 405 CB CYS A 160 -11.174 16.080 -3.052 1.00 0.00 C ATOM 406 SG CYS A 160 -12.141 14.856 -2.135 1.00 0.00 S ATOM 0 H CYS A 160 -10.973 14.098 -4.702 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.268 16.387 -3.994 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -10.936 16.909 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.791 16.484 -3.855 1.00 0.00 H new ATOM 0 HG CYS A 160 -13.218 15.415 -1.668 1.00 0.00 H new ATOM 411 N LEU A 161 -8.446 15.528 -1.693 1.00 0.00 N ATOM 412 CA LEU A 161 -7.640 14.932 -0.632 1.00 0.00 C ATOM 413 C LEU A 161 -8.470 13.977 0.222 1.00 0.00 C ATOM 414 O LEU A 161 -7.971 12.952 0.686 1.00 0.00 O ATOM 415 CB LEU A 161 -7.035 16.025 0.252 1.00 0.00 C ATOM 416 CG LEU A 161 -6.124 15.521 1.373 1.00 0.00 C ATOM 417 CD1 LEU A 161 -4.990 16.503 1.621 1.00 0.00 C ATOM 418 CD2 LEU A 161 -6.924 15.295 2.647 1.00 0.00 C ATOM 0 H LEU A 161 -8.484 16.547 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.838 14.363 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.466 16.708 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.846 16.603 0.696 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.692 14.569 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.352 16.128 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.401 16.616 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.403 17.470 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -6.261 14.937 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.384 16.233 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.701 14.554 2.462 1.00 0.00 H new ATOM 430 N ARG A 162 -9.737 14.322 0.428 1.00 0.00 N ATOM 431 CA ARG A 162 -10.636 13.496 1.230 1.00 0.00 C ATOM 432 C ARG A 162 -10.730 12.080 0.670 1.00 0.00 C ATOM 433 O ARG A 162 -10.748 11.106 1.422 1.00 0.00 O ATOM 434 CB ARG A 162 -12.028 14.127 1.287 1.00 0.00 C ATOM 435 CG ARG A 162 -12.859 13.658 2.469 1.00 0.00 C ATOM 436 CD ARG A 162 -13.301 14.823 3.342 1.00 0.00 C ATOM 437 NE ARG A 162 -13.609 14.399 4.707 1.00 0.00 N ATOM 438 CZ ARG A 162 -12.686 14.165 5.636 1.00 0.00 C ATOM 439 NH1 ARG A 162 -11.397 14.311 5.354 1.00 0.00 N ATOM 440 NH2 ARG A 162 -13.053 13.787 6.852 1.00 0.00 N ATOM 0 H ARG A 162 -10.165 15.168 0.051 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.227 13.439 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -11.925 15.211 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.561 13.896 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -13.736 13.121 2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -12.278 12.955 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -12.514 15.577 3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -14.180 15.293 2.901 1.00 0.00 H new ATOM 0 HE ARG A 162 -14.589 14.275 4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -11.109 14.604 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -10.694 14.130 6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -14.042 13.676 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -12.346 13.607 7.565 1.00 0.00 H new ATOM 454 N CYS A 163 -10.789 11.973 -0.652 1.00 0.00 N ATOM 455 CA CYS A 163 -10.883 10.676 -1.310 1.00 0.00 C ATOM 456 C CYS A 163 -9.530 9.970 -1.320 1.00 0.00 C ATOM 457 O CYS A 163 -9.460 8.741 -1.332 1.00 0.00 O ATOM 458 CB CYS A 163 -11.395 10.841 -2.743 1.00 0.00 C ATOM 459 SG CYS A 163 -13.180 11.103 -2.861 1.00 0.00 S ATOM 0 H CYS A 163 -10.773 12.769 -1.289 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.588 10.064 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -10.883 11.685 -3.206 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.130 9.953 -3.317 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.434 11.931 -3.830 1.00 0.00 H new ATOM 464 N ALA A 164 -8.457 10.755 -1.314 1.00 0.00 N ATOM 465 CA ALA A 164 -7.107 10.205 -1.322 1.00 0.00 C ATOM 466 C ALA A 164 -6.786 9.513 -0.002 1.00 0.00 C ATOM 467 O ALA A 164 -6.013 8.557 0.038 1.00 0.00 O ATOM 468 CB ALA A 164 -6.092 11.303 -1.604 1.00 0.00 C ATOM 0 H ALA A 164 -8.497 11.774 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.051 9.459 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.088 10.878 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.300 11.750 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.160 12.068 -0.831 1.00 0.00 H new ATOM 474 N THR A 165 -7.386 10.004 1.080 1.00 0.00 N ATOM 475 CA THR A 165 -7.162 9.433 2.402 1.00 0.00 C ATOM 476 C THR A 165 -8.295 8.491 2.796 1.00 0.00 C ATOM 477 O THR A 165 -8.084 7.526 3.532 1.00 0.00 O ATOM 478 CB THR A 165 -7.030 10.532 3.473 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.177 11.391 3.438 1.00 0.00 O ATOM 480 CG2 THR A 165 -5.769 11.354 3.252 1.00 0.00 C ATOM 0 H THR A 165 -8.030 10.795 1.065 1.00 0.00 H new ATOM 0 HA THR A 165 -6.229 8.872 2.348 1.00 0.00 H new ATOM 0 HB THR A 165 -6.966 10.051 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 165 -8.124 11.976 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 165 -5.697 12.124 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 165 -4.896 10.703 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 165 -5.809 11.825 2.270 1.00 0.00 H new ATOM 488 N ALA A 166 -9.495 8.775 2.302 1.00 0.00 N ATOM 489 CA ALA A 166 -10.659 7.953 2.605 1.00 0.00 C ATOM 490 C ALA A 166 -10.444 6.511 2.159 1.00 0.00 C ATOM 491 O ALA A 166 -9.670 6.243 1.239 1.00 0.00 O ATOM 492 CB ALA A 166 -11.900 8.532 1.943 1.00 0.00 C ATOM 0 H ALA A 166 -9.686 9.568 1.690 1.00 0.00 H new ATOM 0 HA ALA A 166 -10.802 7.954 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.762 7.908 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.072 9.543 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.756 8.561 0.863 1.00 0.00 H new ATOM 498 N SER A 167 -11.134 5.584 2.817 1.00 0.00 N ATOM 499 CA SER A 167 -11.019 4.169 2.488 1.00 0.00 C ATOM 500 C SER A 167 -11.614 3.879 1.114 1.00 0.00 C ATOM 501 O SER A 167 -11.070 3.085 0.347 1.00 0.00 O ATOM 502 CB SER A 167 -11.721 3.319 3.549 1.00 0.00 C ATOM 503 OG SER A 167 -11.411 3.774 4.855 1.00 0.00 O ATOM 0 H SER A 167 -11.778 5.788 3.581 1.00 0.00 H new ATOM 0 HA SER A 167 -9.960 3.912 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 167 -12.799 3.356 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.419 2.277 3.443 1.00 0.00 H new ATOM 0 HG SER A 167 -11.873 3.215 5.514 1.00 0.00 H new ATOM 509 N PHE A 168 -12.732 4.529 0.812 1.00 0.00 N ATOM 510 CA PHE A 168 -13.401 4.344 -0.470 1.00 0.00 C ATOM 511 C PHE A 168 -14.570 5.310 -0.619 1.00 0.00 C ATOM 512 O PHE A 168 -14.883 6.068 0.301 1.00 0.00 O ATOM 513 CB PHE A 168 -13.897 2.902 -0.607 1.00 0.00 C ATOM 514 CG PHE A 168 -14.764 2.455 0.534 1.00 0.00 C ATOM 515 CD1 PHE A 168 -16.132 2.680 0.510 1.00 0.00 C ATOM 516 CD2 PHE A 168 -14.214 1.810 1.630 1.00 0.00 C ATOM 517 CE1 PHE A 168 -16.934 2.268 1.558 1.00 0.00 C ATOM 518 CE2 PHE A 168 -15.011 1.398 2.681 1.00 0.00 C ATOM 519 CZ PHE A 168 -16.372 1.627 2.645 1.00 0.00 C ATOM 0 H PHE A 168 -13.194 5.189 1.438 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.679 4.551 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.457 2.806 -1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.037 2.236 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -16.576 3.183 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -13.150 1.627 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -17.999 2.447 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -14.570 0.897 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 168 -16.996 1.305 3.465 1.00 0.00 H new ATOM 529 N VAL A 169 -15.214 5.282 -1.781 1.00 0.00 N ATOM 530 CA VAL A 169 -16.348 6.157 -2.048 1.00 0.00 C ATOM 531 C VAL A 169 -17.441 5.423 -2.815 1.00 0.00 C ATOM 532 O VAL A 169 -17.174 4.438 -3.507 1.00 0.00 O ATOM 533 CB VAL A 169 -15.922 7.400 -2.852 1.00 0.00 C ATOM 534 CG1 VAL A 169 -15.103 8.344 -1.985 1.00 0.00 C ATOM 535 CG2 VAL A 169 -15.143 6.992 -4.093 1.00 0.00 C ATOM 0 H VAL A 169 -14.969 4.662 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.736 6.474 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.820 7.928 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.812 9.216 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -15.700 8.664 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -14.210 7.830 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.851 7.883 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.251 6.440 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.768 6.360 -4.724 1.00 0.00 H new ATOM 545 N VAL A 170 -18.673 5.905 -2.689 1.00 0.00 N ATOM 546 CA VAL A 170 -19.805 5.293 -3.371 1.00 0.00 C ATOM 547 C VAL A 170 -19.972 5.863 -4.776 1.00 0.00 C ATOM 548 O VAL A 170 -20.867 6.669 -5.030 1.00 0.00 O ATOM 549 CB VAL A 170 -21.114 5.500 -2.586 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.245 4.694 -3.208 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.923 5.125 -1.123 1.00 0.00 C ATOM 0 H VAL A 170 -18.912 6.718 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.596 4.225 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.383 6.555 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -23.161 4.854 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.397 5.015 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -21.988 3.635 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.858 5.277 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.629 4.078 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -20.145 5.751 -0.685 1.00 0.00 H new ATOM 561 N LEU A 171 -19.101 5.438 -5.687 1.00 0.00 N ATOM 562 CA LEU A 171 -19.151 5.907 -7.068 1.00 0.00 C ATOM 563 C LEU A 171 -20.487 5.549 -7.714 1.00 0.00 C ATOM 564 O LEU A 171 -21.408 5.086 -7.041 1.00 0.00 O ATOM 565 CB LEU A 171 -17.995 5.305 -7.871 1.00 0.00 C ATOM 566 CG LEU A 171 -17.385 6.237 -8.921 1.00 0.00 C ATOM 567 CD1 LEU A 171 -16.096 6.856 -8.401 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.130 5.487 -10.220 1.00 0.00 C ATOM 0 H LEU A 171 -18.354 4.771 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 171 -19.053 6.993 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.211 5.000 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.349 4.403 -8.369 1.00 0.00 H new ATOM 0 HG LEU A 171 -18.096 7.039 -9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.677 7.515 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.306 7.430 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.380 6.067 -8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.696 6.167 -10.953 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.440 4.664 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.071 5.092 -10.603 1.00 0.00 H new ATOM 580 N ASP A 172 -20.588 5.771 -9.022 1.00 0.00 N ATOM 581 CA ASP A 172 -21.814 5.478 -9.759 1.00 0.00 C ATOM 582 C ASP A 172 -22.272 4.040 -9.526 1.00 0.00 C ATOM 583 O ASP A 172 -21.859 3.124 -10.235 1.00 0.00 O ATOM 584 CB ASP A 172 -21.603 5.719 -11.255 1.00 0.00 C ATOM 585 CG ASP A 172 -22.894 6.058 -11.974 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.865 5.283 -11.846 1.00 0.00 O ATOM 587 OD2 ASP A 172 -22.933 7.097 -12.666 1.00 0.00 O ATOM 0 H ASP A 172 -19.835 6.153 -9.594 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.592 6.148 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -20.890 6.532 -11.392 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -21.163 4.829 -11.705 1.00 0.00 H new ATOM 592 N GLY A 173 -23.134 3.853 -8.529 1.00 0.00 N ATOM 593 CA GLY A 173 -23.642 2.529 -8.219 1.00 0.00 C ATOM 594 C GLY A 173 -22.540 1.497 -8.060 1.00 0.00 C ATOM 595 O GLY A 173 -22.759 0.307 -8.286 1.00 0.00 O ATOM 0 H GLY A 173 -23.490 4.598 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.225 2.575 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.320 2.211 -9.011 1.00 0.00 H new ATOM 599 N GLU A 174 -21.355 1.953 -7.671 1.00 0.00 N ATOM 600 CA GLU A 174 -20.218 1.059 -7.483 1.00 0.00 C ATOM 601 C GLU A 174 -19.165 1.696 -6.585 1.00 0.00 C ATOM 602 O GLU A 174 -18.807 2.862 -6.763 1.00 0.00 O ATOM 603 CB GLU A 174 -19.601 0.696 -8.835 1.00 0.00 C ATOM 604 CG GLU A 174 -20.451 -0.263 -9.654 1.00 0.00 C ATOM 605 CD GLU A 174 -19.627 -1.086 -10.626 1.00 0.00 C ATOM 606 OE1 GLU A 174 -19.164 -0.521 -11.638 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.446 -2.295 -10.372 1.00 0.00 O ATOM 0 H GLU A 174 -21.156 2.935 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.578 0.151 -6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.442 1.609 -9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.621 0.249 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -20.988 -0.932 -8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -21.201 0.303 -10.207 1.00 0.00 H new ATOM 614 N ASN A 175 -18.670 0.925 -5.623 1.00 0.00 N ATOM 615 CA ASN A 175 -17.655 1.414 -4.698 1.00 0.00 C ATOM 616 C ASN A 175 -16.262 1.264 -5.299 1.00 0.00 C ATOM 617 O ASN A 175 -15.839 0.162 -5.646 1.00 0.00 O ATOM 618 CB ASN A 175 -17.734 0.656 -3.372 1.00 0.00 C ATOM 619 CG ASN A 175 -18.905 1.104 -2.519 1.00 0.00 C ATOM 620 OD1 ASN A 175 -19.648 2.013 -2.892 1.00 0.00 O ATOM 621 ND2 ASN A 175 -19.076 0.468 -1.367 1.00 0.00 N ATOM 0 H ASN A 175 -18.955 -0.041 -5.464 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.844 2.472 -4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.821 -0.412 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -16.807 0.802 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -19.847 0.727 -0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -18.436 -0.279 -1.097 1.00 0.00 H new ATOM 628 N LYS A 176 -15.553 2.382 -5.425 1.00 0.00 N ATOM 629 CA LYS A 176 -14.209 2.373 -5.989 1.00 0.00 C ATOM 630 C LYS A 176 -13.175 2.798 -4.950 1.00 0.00 C ATOM 631 O LYS A 176 -13.489 3.518 -4.003 1.00 0.00 O ATOM 632 CB LYS A 176 -14.137 3.301 -7.203 1.00 0.00 C ATOM 633 CG LYS A 176 -14.890 2.776 -8.413 1.00 0.00 C ATOM 634 CD LYS A 176 -14.262 3.256 -9.712 1.00 0.00 C ATOM 635 CE LYS A 176 -14.896 2.582 -10.918 1.00 0.00 C ATOM 636 NZ LYS A 176 -13.893 2.294 -11.982 1.00 0.00 N ATOM 0 H LYS A 176 -15.887 3.304 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 176 -13.983 1.354 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.540 4.276 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.092 3.452 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -14.899 1.686 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.929 3.104 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -14.377 4.337 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -13.192 3.049 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -15.372 1.652 -10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -15.680 3.222 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -14.364 1.835 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -13.456 3.184 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -13.158 1.663 -11.604 1.00 0.00 H new ATOM 650 N ARG A 177 -11.939 2.346 -5.136 1.00 0.00 N ATOM 651 CA ARG A 177 -10.855 2.677 -4.220 1.00 0.00 C ATOM 652 C ARG A 177 -9.731 3.402 -4.952 1.00 0.00 C ATOM 653 O ARG A 177 -9.474 3.144 -6.128 1.00 0.00 O ATOM 654 CB ARG A 177 -10.313 1.409 -3.556 1.00 0.00 C ATOM 655 CG ARG A 177 -9.794 1.636 -2.146 1.00 0.00 C ATOM 656 CD ARG A 177 -8.332 2.052 -2.151 1.00 0.00 C ATOM 657 NE ARG A 177 -7.654 1.685 -0.909 1.00 0.00 N ATOM 658 CZ ARG A 177 -6.408 2.046 -0.611 1.00 0.00 C ATOM 659 NH1 ARG A 177 -5.702 2.784 -1.459 1.00 0.00 N ATOM 660 NH2 ARG A 177 -5.867 1.670 0.540 1.00 0.00 N ATOM 0 H ARG A 177 -11.663 1.748 -5.915 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.251 3.339 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.102 0.658 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.509 1.003 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -10.391 2.406 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -9.912 0.723 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -7.824 1.582 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -8.262 3.130 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 177 -8.165 1.119 -0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -6.114 3.078 -2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -4.748 3.057 -1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -6.406 1.105 1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -4.912 1.946 0.769 1.00 0.00 H new ATOM 674 N TYR A 178 -9.062 4.312 -4.250 1.00 0.00 N ATOM 675 CA TYR A 178 -7.965 5.074 -4.836 1.00 0.00 C ATOM 676 C TYR A 178 -6.729 4.200 -5.018 1.00 0.00 C ATOM 677 O TYR A 178 -5.985 3.955 -4.069 1.00 0.00 O ATOM 678 CB TYR A 178 -7.629 6.278 -3.956 1.00 0.00 C ATOM 679 CG TYR A 178 -6.541 7.161 -4.527 1.00 0.00 C ATOM 680 CD1 TYR A 178 -5.202 6.830 -4.375 1.00 0.00 C ATOM 681 CD2 TYR A 178 -6.856 8.325 -5.219 1.00 0.00 C ATOM 682 CE1 TYR A 178 -4.204 7.634 -4.895 1.00 0.00 C ATOM 683 CE2 TYR A 178 -5.864 9.134 -5.741 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.542 8.784 -5.577 1.00 0.00 C ATOM 685 OH TYR A 178 -3.552 9.587 -6.097 1.00 0.00 O ATOM 0 H TYR A 178 -9.260 4.539 -3.276 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.283 5.426 -5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.530 6.874 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.319 5.924 -2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -4.935 5.930 -3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -7.892 8.601 -5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -3.166 7.363 -4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -6.124 10.036 -6.275 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.218 10.189 -5.399 1.00 0.00 H new ATOM 695 N CYS A 179 -6.513 3.737 -6.245 1.00 0.00 N ATOM 696 CA CYS A 179 -5.363 2.895 -6.554 1.00 0.00 C ATOM 697 C CYS A 179 -4.070 3.699 -6.479 1.00 0.00 C ATOM 698 O CYS A 179 -3.836 4.593 -7.290 1.00 0.00 O ATOM 699 CB CYS A 179 -5.517 2.279 -7.946 1.00 0.00 C ATOM 700 SG CYS A 179 -4.336 0.959 -8.305 1.00 0.00 S ATOM 0 H CYS A 179 -7.120 3.931 -7.042 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.316 2.095 -5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.528 1.884 -8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.405 3.065 -8.693 1.00 0.00 H new ATOM 0 HG CYS A 179 -4.404 0.646 -9.565 1.00 0.00 H new ATOM 705 N GLN A 180 -3.230 3.376 -5.500 1.00 0.00 N ATOM 706 CA GLN A 180 -1.962 4.075 -5.319 1.00 0.00 C ATOM 707 C GLN A 180 -0.952 3.706 -6.407 1.00 0.00 C ATOM 708 O GLN A 180 0.128 4.291 -6.482 1.00 0.00 O ATOM 709 CB GLN A 180 -1.377 3.755 -3.942 1.00 0.00 C ATOM 710 CG GLN A 180 -1.805 4.730 -2.858 1.00 0.00 C ATOM 711 CD GLN A 180 -2.020 4.054 -1.516 1.00 0.00 C ATOM 712 OE1 GLN A 180 -3.103 4.126 -0.938 1.00 0.00 O ATOM 713 NE2 GLN A 180 -0.983 3.392 -1.017 1.00 0.00 N ATOM 0 H GLN A 180 -3.404 2.635 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.162 5.144 -5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.679 2.748 -3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.289 3.755 -4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -1.047 5.506 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -2.727 5.225 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -0.103 3.359 -1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -1.066 2.916 -0.119 1.00 0.00 H new ATOM 722 N GLN A 181 -1.302 2.733 -7.247 1.00 0.00 N ATOM 723 CA GLN A 181 -0.412 2.299 -8.318 1.00 0.00 C ATOM 724 C GLN A 181 -0.691 3.051 -9.617 1.00 0.00 C ATOM 725 O GLN A 181 0.198 3.208 -10.453 1.00 0.00 O ATOM 726 CB GLN A 181 -0.558 0.793 -8.548 1.00 0.00 C ATOM 727 CG GLN A 181 0.372 0.249 -9.620 1.00 0.00 C ATOM 728 CD GLN A 181 1.057 -1.038 -9.201 1.00 0.00 C ATOM 729 OE1 GLN A 181 2.141 -1.015 -8.615 1.00 0.00 O ATOM 730 NE2 GLN A 181 0.427 -2.168 -9.499 1.00 0.00 N ATOM 0 H GLN A 181 -2.191 2.234 -7.206 1.00 0.00 H new ATOM 0 HA GLN A 181 0.610 2.522 -8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -0.364 0.270 -7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -1.589 0.575 -8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 181 -0.196 0.073 -10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 181 1.128 0.999 -9.854 1.00 0.00 H new ATOM 0 HE21 GLN A 181 -0.469 -2.139 -9.985 1.00 0.00 H new ATOM 0 HE22 GLN A 181 0.839 -3.065 -9.242 1.00 0.00 H new ATOM 739 N CYS A 182 -1.929 3.508 -9.788 1.00 0.00 N ATOM 740 CA CYS A 182 -2.311 4.233 -10.996 1.00 0.00 C ATOM 741 C CYS A 182 -2.858 5.622 -10.670 1.00 0.00 C ATOM 742 O CYS A 182 -2.766 6.540 -11.483 1.00 0.00 O ATOM 743 CB CYS A 182 -3.353 3.438 -11.784 1.00 0.00 C ATOM 744 SG CYS A 182 -2.940 1.691 -11.998 1.00 0.00 S ATOM 0 H CYS A 182 -2.681 3.390 -9.109 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.414 4.357 -11.602 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -4.314 3.514 -11.275 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.476 3.894 -12.766 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.881 1.102 -12.674 1.00 0.00 H new ATOM 749 N GLY A 183 -3.429 5.768 -9.479 1.00 0.00 N ATOM 750 CA GLY A 183 -3.982 7.047 -9.078 1.00 0.00 C ATOM 751 C GLY A 183 -5.469 7.145 -9.354 1.00 0.00 C ATOM 752 O GLY A 183 -6.227 7.660 -8.533 1.00 0.00 O ATOM 0 H GLY A 183 -3.518 5.025 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.802 7.200 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.463 7.846 -9.608 1.00 0.00 H new ATOM 756 N LYS A 184 -5.886 6.646 -10.512 1.00 0.00 N ATOM 757 CA LYS A 184 -7.293 6.675 -10.896 1.00 0.00 C ATOM 758 C LYS A 184 -8.141 5.876 -9.913 1.00 0.00 C ATOM 759 O LYS A 184 -7.673 5.492 -8.842 1.00 0.00 O ATOM 760 CB LYS A 184 -7.469 6.121 -12.311 1.00 0.00 C ATOM 761 CG LYS A 184 -6.468 6.675 -13.311 1.00 0.00 C ATOM 762 CD LYS A 184 -7.093 6.853 -14.685 1.00 0.00 C ATOM 763 CE LYS A 184 -6.227 7.722 -15.583 1.00 0.00 C ATOM 764 NZ LYS A 184 -6.473 7.448 -17.025 1.00 0.00 N ATOM 0 H LYS A 184 -5.270 6.216 -11.202 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.628 7.712 -10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -7.377 5.035 -12.281 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -8.478 6.346 -12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -6.089 7.633 -12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -5.614 6.002 -13.383 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -7.236 5.878 -15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -8.079 7.305 -14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -6.427 8.773 -15.374 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -5.176 7.546 -15.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -5.863 8.061 -17.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -6.258 6.452 -17.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -7.470 7.640 -17.250 1.00 0.00 H new ATOM 778 N PHE A 185 -9.393 5.625 -10.285 1.00 0.00 N ATOM 779 CA PHE A 185 -10.307 4.870 -9.434 1.00 0.00 C ATOM 780 C PHE A 185 -10.582 3.490 -10.022 1.00 0.00 C ATOM 781 O PHE A 185 -10.818 3.350 -11.223 1.00 0.00 O ATOM 782 CB PHE A 185 -11.620 5.633 -9.258 1.00 0.00 C ATOM 783 CG PHE A 185 -11.511 6.812 -8.333 1.00 0.00 C ATOM 784 CD1 PHE A 185 -11.071 6.652 -7.031 1.00 0.00 C ATOM 785 CD2 PHE A 185 -11.847 8.084 -8.771 1.00 0.00 C ATOM 786 CE1 PHE A 185 -10.969 7.734 -6.178 1.00 0.00 C ATOM 787 CE2 PHE A 185 -11.749 9.172 -7.924 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.308 8.997 -6.626 1.00 0.00 C ATOM 0 H PHE A 185 -9.797 5.933 -11.169 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.836 4.743 -8.459 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -11.964 5.978 -10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.379 4.950 -8.875 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.804 5.668 -6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.189 8.226 -9.785 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.625 7.593 -5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.017 10.157 -8.276 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.228 9.846 -5.963 1.00 0.00 H new ATOM 798 N HIS A 186 -10.555 2.472 -9.167 1.00 0.00 N ATOM 799 CA HIS A 186 -10.803 1.100 -9.600 1.00 0.00 C ATOM 800 C HIS A 186 -11.989 0.504 -8.850 1.00 0.00 C ATOM 801 O HIS A 186 -12.620 1.175 -8.034 1.00 0.00 O ATOM 802 CB HIS A 186 -9.558 0.240 -9.377 1.00 0.00 C ATOM 803 CG HIS A 186 -8.438 0.550 -10.321 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.635 1.115 -11.565 1.00 0.00 N ATOM 805 CD2 HIS A 186 -7.102 0.374 -10.198 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.468 1.270 -12.165 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.522 0.829 -11.356 1.00 0.00 N ATOM 0 H HIS A 186 -10.364 2.571 -8.170 1.00 0.00 H new ATOM 0 HA HIS A 186 -11.038 1.115 -10.664 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -9.209 0.380 -8.354 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.829 -0.811 -9.481 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.587 -0.046 -9.347 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -7.314 1.686 -13.149 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -5.522 0.827 -11.559 1.00 0.00 H new ATOM 815 N LEU A 187 -12.286 -0.761 -9.130 1.00 0.00 N ATOM 816 CA LEU A 187 -13.397 -1.446 -8.478 1.00 0.00 C ATOM 817 C LEU A 187 -12.935 -2.130 -7.195 1.00 0.00 C ATOM 818 O LEU A 187 -11.895 -2.788 -7.170 1.00 0.00 O ATOM 819 CB LEU A 187 -14.019 -2.473 -9.427 1.00 0.00 C ATOM 820 CG LEU A 187 -15.285 -2.005 -10.147 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.832 -3.109 -11.037 1.00 0.00 C ATOM 822 CD2 LEU A 187 -16.335 -1.560 -9.139 1.00 0.00 C ATOM 0 H LEU A 187 -11.774 -1.332 -9.803 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.150 -0.702 -8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.276 -2.751 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -14.254 -3.374 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 187 -15.029 -1.153 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -16.732 -2.758 -11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -15.083 -3.382 -11.781 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -16.073 -3.981 -10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -17.230 -1.230 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -16.587 -2.394 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -15.941 -0.737 -8.543 1.00 0.00 H new ATOM 834 N LEU A 188 -13.714 -1.968 -6.131 1.00 0.00 N ATOM 835 CA LEU A 188 -13.388 -2.568 -4.843 1.00 0.00 C ATOM 836 C LEU A 188 -13.488 -4.098 -4.882 1.00 0.00 C ATOM 837 O LEU A 188 -12.650 -4.784 -4.295 1.00 0.00 O ATOM 838 CB LEU A 188 -14.294 -2.004 -3.744 1.00 0.00 C ATOM 839 CG LEU A 188 -13.568 -1.226 -2.647 1.00 0.00 C ATOM 840 CD1 LEU A 188 -14.546 -0.782 -1.570 1.00 0.00 C ATOM 841 CD2 LEU A 188 -12.455 -2.069 -2.042 1.00 0.00 C ATOM 0 H LEU A 188 -14.577 -1.425 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.353 -2.312 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.034 -1.349 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -14.839 -2.828 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 188 -13.122 -0.337 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -14.011 -0.230 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -15.308 -0.141 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -15.021 -1.657 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -11.949 -1.499 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -12.879 -2.976 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -11.739 -2.337 -2.818 1.00 0.00 H new ATOM 853 N PRO A 189 -14.506 -4.671 -5.562 1.00 0.00 N ATOM 854 CA PRO A 189 -14.662 -6.129 -5.636 1.00 0.00 C ATOM 855 C PRO A 189 -13.554 -6.796 -6.445 1.00 0.00 C ATOM 856 O PRO A 189 -13.337 -8.002 -6.341 1.00 0.00 O ATOM 857 CB PRO A 189 -16.016 -6.316 -6.324 1.00 0.00 C ATOM 858 CG PRO A 189 -16.226 -5.064 -7.100 1.00 0.00 C ATOM 859 CD PRO A 189 -15.574 -3.968 -6.305 1.00 0.00 C ATOM 0 HA PRO A 189 -14.607 -6.589 -4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -16.011 -7.189 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.812 -6.468 -5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.783 -5.142 -8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -17.289 -4.865 -7.240 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -15.168 -3.190 -6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.282 -3.485 -5.631 1.00 0.00 H new ATOM 867 N ASP A 190 -12.852 -6.003 -7.250 1.00 0.00 N ATOM 868 CA ASP A 190 -11.764 -6.522 -8.072 1.00 0.00 C ATOM 869 C ASP A 190 -10.413 -6.269 -7.408 1.00 0.00 C ATOM 870 O ASP A 190 -9.404 -6.079 -8.084 1.00 0.00 O ATOM 871 CB ASP A 190 -11.793 -5.879 -9.460 1.00 0.00 C ATOM 872 CG ASP A 190 -12.593 -6.692 -10.459 1.00 0.00 C ATOM 873 OD1 ASP A 190 -13.827 -6.793 -10.291 1.00 0.00 O ATOM 874 OD2 ASP A 190 -11.986 -7.230 -11.408 1.00 0.00 O ATOM 0 H ASP A 190 -13.017 -5.001 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.902 -7.598 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -12.220 -4.879 -9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -10.772 -5.763 -9.825 1.00 0.00 H new