USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 331 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 182 TYR OH : rot 180:sc= 0.196 USER MOD Set 1.2: A 186 LYS NZ :NH3+ -110:sc= 0.429 (180deg=-0.714) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= 1.05 K(o=1.1,f=-0.16) USER MOD Single : A 169 LYS NZ :NH3+ 174:sc= 2.44 (180deg=2.33) USER MOD Single : A 173 GLN : amide:sc=-0.00599 K(o=-0.006,f=-1.9) USER MOD Single : A 181 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.42) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.22) USER MOD Single : A 189 LYS NZ :NH3+ 166:sc= -0.0263 (180deg=-0.198) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -12.255 11.331 -0.315 1.00 0.00 N ATOM 2 CA GLY A 149 -13.397 10.436 -0.498 1.00 0.00 C ATOM 3 C GLY A 149 -13.011 9.253 -1.347 1.00 0.00 C ATOM 4 O GLY A 149 -12.204 9.408 -2.273 1.00 0.00 O ATOM 0 HA2 GLY A 149 -13.756 10.093 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -14.218 10.976 -0.969 1.00 0.00 H new ATOM 10 N PRO A 150 -13.565 8.054 -1.096 1.00 0.00 N ATOM 11 CA PRO A 150 -13.205 6.875 -1.832 1.00 0.00 C ATOM 12 C PRO A 150 -14.013 6.716 -3.122 1.00 0.00 C ATOM 13 O PRO A 150 -15.189 6.321 -3.106 1.00 0.00 O ATOM 14 CB PRO A 150 -13.493 5.730 -0.853 1.00 0.00 C ATOM 15 CG PRO A 150 -14.487 6.273 0.140 1.00 0.00 C ATOM 16 CD PRO A 150 -14.610 7.762 -0.093 1.00 0.00 C ATOM 0 HA PRO A 150 -12.167 6.906 -2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -13.897 4.863 -1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -12.580 5.405 -0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -15.454 5.786 0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -14.157 6.072 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -15.601 8.028 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -14.449 8.325 0.827 1.00 0.00 H new ATOM 24 N GLY A 151 -13.386 7.055 -4.217 1.00 0.00 N ATOM 25 CA GLY A 151 -13.994 6.934 -5.514 1.00 0.00 C ATOM 26 C GLY A 151 -13.325 5.825 -6.252 1.00 0.00 C ATOM 27 O GLY A 151 -13.803 4.693 -6.260 1.00 0.00 O ATOM 0 H GLY A 151 -12.435 7.424 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -15.061 6.733 -5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -13.896 7.869 -6.066 1.00 0.00 H new ATOM 31 N SER A 152 -12.158 6.107 -6.796 1.00 0.00 N ATOM 32 CA SER A 152 -11.361 5.099 -7.459 1.00 0.00 C ATOM 33 C SER A 152 -10.808 4.142 -6.397 1.00 0.00 C ATOM 34 O SER A 152 -10.508 2.987 -6.666 1.00 0.00 O ATOM 35 CB SER A 152 -10.237 5.777 -8.224 1.00 0.00 C ATOM 36 OG SER A 152 -10.771 6.820 -9.032 1.00 0.00 O ATOM 0 H SER A 152 -11.739 7.037 -6.790 1.00 0.00 H new ATOM 0 HA SER A 152 -11.963 4.531 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 152 -9.503 6.182 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 152 -9.718 5.050 -8.848 1.00 0.00 H new ATOM 0 HG SER A 152 -10.045 7.258 -9.523 1.00 0.00 H new ATOM 42 N GLU A 153 -10.766 4.640 -5.165 1.00 0.00 N ATOM 43 CA GLU A 153 -10.331 3.887 -3.996 1.00 0.00 C ATOM 44 C GLU A 153 -11.343 2.781 -3.693 1.00 0.00 C ATOM 45 O GLU A 153 -11.077 1.880 -2.914 1.00 0.00 O ATOM 46 CB GLU A 153 -10.251 4.792 -2.743 1.00 0.00 C ATOM 47 CG GLU A 153 -9.286 5.985 -2.774 1.00 0.00 C ATOM 48 CD GLU A 153 -9.533 6.971 -3.890 1.00 0.00 C ATOM 49 OE1 GLU A 153 -10.704 7.261 -4.218 1.00 0.00 O ATOM 50 OE2 GLU A 153 -8.566 7.471 -4.474 1.00 0.00 O ATOM 0 H GLU A 153 -11.039 5.598 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 153 -9.346 3.477 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -11.251 5.177 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -9.978 4.164 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -9.351 6.512 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -8.267 5.608 -2.860 1.00 0.00 H new ATOM 57 N ASP A 154 -12.512 2.897 -4.264 1.00 0.00 N ATOM 58 CA ASP A 154 -13.538 1.915 -4.062 1.00 0.00 C ATOM 59 C ASP A 154 -13.849 1.186 -5.354 1.00 0.00 C ATOM 60 O ASP A 154 -13.995 -0.031 -5.372 1.00 0.00 O ATOM 61 CB ASP A 154 -14.802 2.558 -3.496 1.00 0.00 C ATOM 62 CG ASP A 154 -15.907 1.557 -3.310 1.00 0.00 C ATOM 63 OD1 ASP A 154 -15.839 0.743 -2.348 1.00 0.00 O ATOM 64 OD2 ASP A 154 -16.847 1.536 -4.122 1.00 0.00 O ATOM 0 H ASP A 154 -12.777 3.668 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 154 -13.169 1.189 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -14.573 3.027 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -15.138 3.349 -4.167 1.00 0.00 H new ATOM 69 N ASP A 155 -13.927 1.936 -6.432 1.00 0.00 N ATOM 70 CA ASP A 155 -14.266 1.389 -7.745 1.00 0.00 C ATOM 71 C ASP A 155 -13.133 0.546 -8.327 1.00 0.00 C ATOM 72 O ASP A 155 -13.362 -0.537 -8.855 1.00 0.00 O ATOM 73 CB ASP A 155 -14.645 2.520 -8.703 1.00 0.00 C ATOM 74 CG ASP A 155 -15.097 2.024 -10.055 1.00 0.00 C ATOM 75 OD1 ASP A 155 -16.178 1.407 -10.135 1.00 0.00 O ATOM 76 OD2 ASP A 155 -14.421 2.308 -11.060 1.00 0.00 O ATOM 0 H ASP A 155 -13.759 2.942 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 155 -15.122 0.727 -7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -15.441 3.115 -8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -13.788 3.181 -8.833 1.00 0.00 H new ATOM 81 N ASP A 156 -11.920 1.035 -8.201 1.00 0.00 N ATOM 82 CA ASP A 156 -10.738 0.326 -8.715 1.00 0.00 C ATOM 83 C ASP A 156 -10.167 -0.559 -7.650 1.00 0.00 C ATOM 84 O ASP A 156 -9.993 -1.776 -7.835 1.00 0.00 O ATOM 85 CB ASP A 156 -9.658 1.319 -9.169 1.00 0.00 C ATOM 86 CG ASP A 156 -8.342 0.645 -9.559 1.00 0.00 C ATOM 87 OD1 ASP A 156 -8.208 0.147 -10.696 1.00 0.00 O ATOM 88 OD2 ASP A 156 -7.413 0.630 -8.739 1.00 0.00 O ATOM 0 H ASP A 156 -11.711 1.924 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 156 -11.052 -0.274 -9.569 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -10.032 1.889 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -9.469 2.032 -8.366 1.00 0.00 H new ATOM 93 N ILE A 157 -9.886 0.054 -6.544 1.00 0.00 N ATOM 94 CA ILE A 157 -9.292 -0.609 -5.411 1.00 0.00 C ATOM 95 C ILE A 157 -10.343 -1.460 -4.719 1.00 0.00 C ATOM 96 O ILE A 157 -11.407 -0.967 -4.340 1.00 0.00 O ATOM 97 CB ILE A 157 -8.715 0.420 -4.396 1.00 0.00 C ATOM 98 CG1 ILE A 157 -7.747 1.401 -5.088 1.00 0.00 C ATOM 99 CG2 ILE A 157 -8.002 -0.291 -3.251 1.00 0.00 C ATOM 100 CD1 ILE A 157 -6.514 0.759 -5.676 1.00 0.00 C ATOM 0 H ILE A 157 -10.063 1.047 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 157 -8.474 -1.235 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 157 -9.553 0.988 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -8.284 1.921 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -7.438 2.156 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -7.607 0.448 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -8.706 -0.940 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.182 -0.890 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -5.892 1.524 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -5.950 0.264 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -6.808 0.025 -6.426 1.00 0.00 H new ATOM 112 N ASP A 158 -10.082 -2.731 -4.611 1.00 0.00 N ATOM 113 CA ASP A 158 -10.985 -3.625 -3.917 1.00 0.00 C ATOM 114 C ASP A 158 -10.700 -3.588 -2.434 1.00 0.00 C ATOM 115 O ASP A 158 -9.719 -4.166 -1.962 1.00 0.00 O ATOM 116 CB ASP A 158 -10.883 -5.065 -4.456 1.00 0.00 C ATOM 117 CG ASP A 158 -11.753 -6.071 -3.706 1.00 0.00 C ATOM 118 OD1 ASP A 158 -11.337 -6.523 -2.625 1.00 0.00 O ATOM 119 OD2 ASP A 158 -12.824 -6.455 -4.217 1.00 0.00 O ATOM 0 H ASP A 158 -9.250 -3.180 -4.994 1.00 0.00 H new ATOM 0 HA ASP A 158 -12.005 -3.285 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -11.166 -5.069 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -9.844 -5.389 -4.404 1.00 0.00 H new ATOM 124 N LEU A 159 -11.480 -2.813 -1.734 1.00 0.00 N ATOM 125 CA LEU A 159 -11.419 -2.758 -0.288 1.00 0.00 C ATOM 126 C LEU A 159 -12.654 -3.438 0.244 1.00 0.00 C ATOM 127 O LEU A 159 -12.619 -4.138 1.246 1.00 0.00 O ATOM 128 CB LEU A 159 -11.298 -1.312 0.206 1.00 0.00 C ATOM 129 CG LEU A 159 -10.016 -0.585 -0.222 1.00 0.00 C ATOM 130 CD1 LEU A 159 -10.019 0.852 0.246 1.00 0.00 C ATOM 131 CD2 LEU A 159 -8.781 -1.307 0.292 1.00 0.00 C ATOM 0 H LEU A 159 -12.181 -2.197 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 159 -10.531 -3.273 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -12.157 -0.747 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -11.352 -1.310 1.295 1.00 0.00 H new ATOM 0 HG LEU A 159 -9.987 -0.588 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -9.098 1.340 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.874 1.373 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.087 0.880 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -7.887 -0.770 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -8.811 -1.349 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -8.758 -2.320 -0.110 1.00 0.00 H new ATOM 143 N PHE A 160 -13.738 -3.219 -0.446 1.00 0.00 N ATOM 144 CA PHE A 160 -14.963 -3.949 -0.236 1.00 0.00 C ATOM 145 C PHE A 160 -15.229 -4.683 -1.538 1.00 0.00 C ATOM 146 O PHE A 160 -15.568 -5.867 -1.554 1.00 0.00 O ATOM 147 CB PHE A 160 -16.129 -2.998 0.095 1.00 0.00 C ATOM 148 CG PHE A 160 -17.426 -3.706 0.420 1.00 0.00 C ATOM 149 CD1 PHE A 160 -18.326 -4.046 -0.579 1.00 0.00 C ATOM 150 CD2 PHE A 160 -17.736 -4.033 1.726 1.00 0.00 C ATOM 151 CE1 PHE A 160 -19.500 -4.701 -0.277 1.00 0.00 C ATOM 152 CE2 PHE A 160 -18.910 -4.684 2.036 1.00 0.00 C ATOM 153 CZ PHE A 160 -19.795 -5.019 1.032 1.00 0.00 C ATOM 0 H PHE A 160 -13.799 -2.517 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 160 -14.875 -4.634 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -15.846 -2.373 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -16.293 -2.332 -0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -18.104 -3.794 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -17.047 -3.774 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -20.189 -4.965 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -19.137 -4.931 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 160 -20.717 -5.529 1.271 1.00 0.00 H new ATOM 163 N GLY A 161 -15.044 -3.942 -2.626 1.00 0.00 N ATOM 164 CA GLY A 161 -15.145 -4.463 -3.955 1.00 0.00 C ATOM 165 C GLY A 161 -16.469 -5.092 -4.237 1.00 0.00 C ATOM 166 O GLY A 161 -17.525 -4.490 -3.989 1.00 0.00 O ATOM 0 H GLY A 161 -14.817 -2.948 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -14.972 -3.658 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -14.358 -5.201 -4.111 1.00 0.00 H new ATOM 170 N SER A 162 -16.430 -6.275 -4.775 1.00 0.00 N ATOM 171 CA SER A 162 -17.634 -7.003 -5.054 1.00 0.00 C ATOM 172 C SER A 162 -17.695 -8.270 -4.201 1.00 0.00 C ATOM 173 O SER A 162 -18.745 -8.912 -4.084 1.00 0.00 O ATOM 174 CB SER A 162 -17.696 -7.329 -6.548 1.00 0.00 C ATOM 175 OG SER A 162 -17.556 -6.137 -7.323 1.00 0.00 O ATOM 0 H SER A 162 -15.570 -6.760 -5.031 1.00 0.00 H new ATOM 0 HA SER A 162 -18.500 -6.393 -4.799 1.00 0.00 H new ATOM 0 HB2 SER A 162 -16.905 -8.033 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 162 -18.644 -7.814 -6.782 1.00 0.00 H new ATOM 0 HG SER A 162 -17.596 -6.360 -8.276 1.00 0.00 H new ATOM 181 N ASP A 163 -16.578 -8.604 -3.578 1.00 0.00 N ATOM 182 CA ASP A 163 -16.447 -9.815 -2.757 1.00 0.00 C ATOM 183 C ASP A 163 -15.377 -9.592 -1.743 1.00 0.00 C ATOM 184 O ASP A 163 -15.580 -9.787 -0.547 1.00 0.00 O ATOM 185 CB ASP A 163 -16.039 -11.034 -3.588 1.00 0.00 C ATOM 186 CG ASP A 163 -17.104 -11.591 -4.513 1.00 0.00 C ATOM 187 OD1 ASP A 163 -18.002 -12.343 -4.036 1.00 0.00 O ATOM 188 OD2 ASP A 163 -17.053 -11.329 -5.742 1.00 0.00 O ATOM 0 H ASP A 163 -15.726 -8.045 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 163 -17.418 -10.008 -2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -15.169 -10.766 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -15.726 -11.826 -2.907 1.00 0.00 H new ATOM 193 N ASN A 164 -14.192 -9.281 -2.260 1.00 0.00 N ATOM 194 CA ASN A 164 -13.004 -8.898 -1.471 1.00 0.00 C ATOM 195 C ASN A 164 -12.268 -10.067 -0.884 1.00 0.00 C ATOM 196 O ASN A 164 -11.047 -10.139 -0.959 1.00 0.00 O ATOM 197 CB ASN A 164 -13.295 -7.797 -0.429 1.00 0.00 C ATOM 198 CG ASN A 164 -12.124 -7.500 0.504 1.00 0.00 C ATOM 199 OD1 ASN A 164 -12.052 -8.029 1.626 1.00 0.00 O ATOM 200 ND2 ASN A 164 -11.190 -6.729 0.040 1.00 0.00 N ATOM 0 H ASN A 164 -14.017 -9.286 -3.265 1.00 0.00 H new ATOM 0 HA ASN A 164 -12.320 -8.456 -2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -13.572 -6.881 -0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -14.156 -8.095 0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -10.360 -6.539 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -11.285 -6.313 -0.886 1.00 0.00 H new ATOM 207 N GLU A 165 -12.988 -11.012 -0.367 1.00 0.00 N ATOM 208 CA GLU A 165 -12.367 -12.156 0.224 1.00 0.00 C ATOM 209 C GLU A 165 -11.861 -13.120 -0.842 1.00 0.00 C ATOM 210 O GLU A 165 -10.913 -13.855 -0.625 1.00 0.00 O ATOM 211 CB GLU A 165 -13.263 -12.819 1.304 1.00 0.00 C ATOM 212 CG GLU A 165 -14.706 -13.151 0.903 1.00 0.00 C ATOM 213 CD GLU A 165 -14.825 -14.174 -0.191 1.00 0.00 C ATOM 214 OE1 GLU A 165 -14.447 -15.343 0.021 1.00 0.00 O ATOM 215 OE2 GLU A 165 -15.331 -13.838 -1.266 1.00 0.00 O ATOM 0 H GLU A 165 -14.008 -11.015 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 165 -11.484 -11.819 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -12.780 -13.742 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -13.296 -12.158 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -15.241 -13.512 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -15.201 -12.235 0.583 1.00 0.00 H new ATOM 222 N GLU A 166 -12.465 -13.061 -2.018 1.00 0.00 N ATOM 223 CA GLU A 166 -12.052 -13.917 -3.090 1.00 0.00 C ATOM 224 C GLU A 166 -10.866 -13.337 -3.828 1.00 0.00 C ATOM 225 O GLU A 166 -10.122 -14.055 -4.466 1.00 0.00 O ATOM 226 CB GLU A 166 -13.230 -14.317 -4.001 1.00 0.00 C ATOM 227 CG GLU A 166 -13.929 -13.231 -4.813 1.00 0.00 C ATOM 228 CD GLU A 166 -13.111 -12.552 -5.873 1.00 0.00 C ATOM 229 OE1 GLU A 166 -12.754 -13.193 -6.888 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.867 -11.343 -5.731 1.00 0.00 O ATOM 0 H GLU A 166 -13.235 -12.431 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 166 -11.703 -14.856 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -12.866 -15.070 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -13.982 -14.799 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.805 -13.672 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -14.291 -12.469 -4.122 1.00 0.00 H new ATOM 237 N GLU A 167 -10.661 -12.030 -3.680 1.00 0.00 N ATOM 238 CA GLU A 167 -9.504 -11.357 -4.291 1.00 0.00 C ATOM 239 C GLU A 167 -8.202 -11.651 -3.466 1.00 0.00 C ATOM 240 O GLU A 167 -7.124 -11.086 -3.725 1.00 0.00 O ATOM 241 CB GLU A 167 -9.730 -9.849 -4.404 1.00 0.00 C ATOM 242 CG GLU A 167 -8.678 -9.158 -5.282 1.00 0.00 C ATOM 243 CD GLU A 167 -8.982 -9.126 -6.765 1.00 0.00 C ATOM 244 OE1 GLU A 167 -9.105 -10.185 -7.397 1.00 0.00 O ATOM 245 OE2 GLU A 167 -9.094 -8.028 -7.332 1.00 0.00 O ATOM 0 H GLU A 167 -11.274 -11.414 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.383 -11.754 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.721 -9.664 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.713 -9.407 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.556 -8.133 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.722 -9.661 -5.136 1.00 0.00 H new ATOM 252 N ASP A 168 -8.310 -12.577 -2.502 1.00 0.00 N ATOM 253 CA ASP A 168 -7.153 -13.055 -1.686 1.00 0.00 C ATOM 254 C ASP A 168 -6.022 -13.522 -2.605 1.00 0.00 C ATOM 255 O ASP A 168 -4.845 -13.411 -2.277 1.00 0.00 O ATOM 256 CB ASP A 168 -7.559 -14.213 -0.773 1.00 0.00 C ATOM 257 CG ASP A 168 -6.469 -14.562 0.229 1.00 0.00 C ATOM 258 OD1 ASP A 168 -5.593 -15.410 -0.069 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.467 -13.974 1.342 1.00 0.00 O ATOM 0 H ASP A 168 -9.194 -13.023 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.816 -12.222 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.471 -13.949 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -7.787 -15.089 -1.380 1.00 0.00 H new ATOM 264 N LYS A 169 -6.427 -14.028 -3.773 1.00 0.00 N ATOM 265 CA LYS A 169 -5.535 -14.375 -4.884 1.00 0.00 C ATOM 266 C LYS A 169 -4.473 -13.279 -5.102 1.00 0.00 C ATOM 267 O LYS A 169 -3.292 -13.532 -4.978 1.00 0.00 O ATOM 268 CB LYS A 169 -6.373 -14.532 -6.173 1.00 0.00 C ATOM 269 CG LYS A 169 -7.577 -13.601 -6.177 1.00 0.00 C ATOM 270 CD LYS A 169 -8.090 -13.183 -7.523 1.00 0.00 C ATOM 271 CE LYS A 169 -7.048 -12.442 -8.322 1.00 0.00 C ATOM 272 NZ LYS A 169 -7.688 -11.572 -9.314 1.00 0.00 N ATOM 0 H LYS A 169 -7.409 -14.213 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.026 -15.308 -4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.748 -14.323 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.711 -15.564 -6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.389 -14.090 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.317 -12.703 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.412 -14.064 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.967 -12.549 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -6.425 -11.847 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -6.391 -13.153 -8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -6.964 -10.993 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.181 -12.155 -10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.373 -10.950 -8.840 1.00 0.00 H new ATOM 286 N GLU A 170 -4.916 -12.037 -5.326 1.00 0.00 N ATOM 287 CA GLU A 170 -4.006 -10.949 -5.595 1.00 0.00 C ATOM 288 C GLU A 170 -3.406 -10.396 -4.371 1.00 0.00 C ATOM 289 O GLU A 170 -2.380 -9.747 -4.438 1.00 0.00 O ATOM 290 CB GLU A 170 -4.579 -9.871 -6.487 1.00 0.00 C ATOM 291 CG GLU A 170 -4.232 -10.095 -7.939 1.00 0.00 C ATOM 292 CD GLU A 170 -4.999 -9.217 -8.894 1.00 0.00 C ATOM 293 OE1 GLU A 170 -4.819 -7.990 -8.879 1.00 0.00 O ATOM 294 OE2 GLU A 170 -5.780 -9.753 -9.704 1.00 0.00 O ATOM 0 H GLU A 170 -5.901 -11.773 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 170 -3.198 -11.400 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.663 -9.844 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -4.201 -8.899 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -3.165 -9.921 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -4.420 -11.139 -8.190 1.00 0.00 H new ATOM 301 N ALA A 171 -4.040 -10.634 -3.248 1.00 0.00 N ATOM 302 CA ALA A 171 -3.462 -10.252 -1.992 1.00 0.00 C ATOM 303 C ALA A 171 -2.135 -10.979 -1.859 1.00 0.00 C ATOM 304 O ALA A 171 -1.134 -10.377 -1.582 1.00 0.00 O ATOM 305 CB ALA A 171 -4.391 -10.589 -0.839 1.00 0.00 C ATOM 0 H ALA A 171 -4.951 -11.088 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.305 -9.174 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -3.928 -10.289 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.334 -10.058 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.578 -11.663 -0.825 1.00 0.00 H new ATOM 311 N ALA A 172 -2.151 -12.263 -2.180 1.00 0.00 N ATOM 312 CA ALA A 172 -0.973 -13.093 -2.154 1.00 0.00 C ATOM 313 C ALA A 172 -0.060 -12.827 -3.361 1.00 0.00 C ATOM 314 O ALA A 172 1.135 -12.600 -3.181 1.00 0.00 O ATOM 315 CB ALA A 172 -1.367 -14.558 -2.111 1.00 0.00 C ATOM 0 H ALA A 172 -2.996 -12.757 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.412 -12.842 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.469 -15.176 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -1.959 -14.750 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -1.957 -14.802 -2.995 1.00 0.00 H new ATOM 321 N GLN A 173 -0.635 -12.851 -4.586 1.00 0.00 N ATOM 322 CA GLN A 173 0.119 -12.655 -5.832 1.00 0.00 C ATOM 323 C GLN A 173 0.903 -11.358 -5.842 1.00 0.00 C ATOM 324 O GLN A 173 2.132 -11.376 -5.936 1.00 0.00 O ATOM 325 CB GLN A 173 -0.811 -12.681 -7.035 1.00 0.00 C ATOM 326 CG GLN A 173 -1.441 -14.028 -7.305 1.00 0.00 C ATOM 327 CD GLN A 173 -2.416 -13.989 -8.454 1.00 0.00 C ATOM 328 OE1 GLN A 173 -3.605 -13.739 -8.277 1.00 0.00 O ATOM 329 NE2 GLN A 173 -1.941 -14.247 -9.624 1.00 0.00 N ATOM 0 H GLN A 173 -1.633 -13.007 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 173 0.829 -13.480 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.602 -11.947 -6.884 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -0.253 -12.371 -7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.658 -14.755 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.955 -14.371 -6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -0.948 -14.451 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.558 -14.247 -10.436 1.00 0.00 H new ATOM 338 N LEU A 174 0.197 -10.237 -5.713 1.00 0.00 N ATOM 339 CA LEU A 174 0.841 -8.917 -5.716 1.00 0.00 C ATOM 340 C LEU A 174 1.876 -8.814 -4.613 1.00 0.00 C ATOM 341 O LEU A 174 3.016 -8.411 -4.854 1.00 0.00 O ATOM 342 CB LEU A 174 -0.195 -7.828 -5.543 1.00 0.00 C ATOM 343 CG LEU A 174 -1.303 -7.813 -6.584 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.313 -6.730 -6.273 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.741 -7.640 -7.981 1.00 0.00 C ATOM 0 H LEU A 174 -0.817 -10.211 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 174 1.342 -8.791 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.647 -7.933 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.311 -6.862 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.811 -8.777 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.098 -6.736 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.753 -6.913 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.817 -5.759 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -1.557 -7.633 -8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -0.196 -6.698 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -0.065 -8.465 -8.206 1.00 0.00 H new ATOM 357 N ARG A 175 1.466 -9.195 -3.413 1.00 0.00 N ATOM 358 CA ARG A 175 2.345 -9.222 -2.232 1.00 0.00 C ATOM 359 C ARG A 175 3.654 -9.959 -2.504 1.00 0.00 C ATOM 360 O ARG A 175 4.748 -9.388 -2.337 1.00 0.00 O ATOM 361 CB ARG A 175 1.613 -9.906 -1.083 1.00 0.00 C ATOM 362 CG ARG A 175 2.455 -10.333 0.105 1.00 0.00 C ATOM 363 CD ARG A 175 1.613 -11.168 1.043 1.00 0.00 C ATOM 364 NE ARG A 175 2.389 -11.738 2.148 1.00 0.00 N ATOM 365 CZ ARG A 175 1.855 -12.347 3.212 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.537 -12.436 3.339 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.646 -12.869 4.143 1.00 0.00 N ATOM 0 H ARG A 175 0.511 -9.497 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 175 2.593 -8.192 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.837 -9.230 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.110 -10.789 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.318 -10.906 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.839 -9.456 0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.810 -10.552 1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.143 -11.975 0.481 1.00 0.00 H new ATOM 0 HE ARG A 175 3.405 -11.665 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.072 -12.039 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.133 -12.901 4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.659 -12.805 4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 175 2.240 -13.334 4.955 1.00 0.00 H new ATOM 381 N GLU A 176 3.544 -11.203 -2.963 1.00 0.00 N ATOM 382 CA GLU A 176 4.705 -12.041 -3.111 1.00 0.00 C ATOM 383 C GLU A 176 5.628 -11.515 -4.186 1.00 0.00 C ATOM 384 O GLU A 176 6.822 -11.502 -3.997 1.00 0.00 O ATOM 385 CB GLU A 176 4.319 -13.535 -3.299 1.00 0.00 C ATOM 386 CG GLU A 176 3.848 -13.984 -4.693 1.00 0.00 C ATOM 387 CD GLU A 176 4.987 -14.397 -5.624 1.00 0.00 C ATOM 388 OE1 GLU A 176 6.140 -14.481 -5.180 1.00 0.00 O ATOM 389 OE2 GLU A 176 4.724 -14.713 -6.803 1.00 0.00 O ATOM 0 H GLU A 176 2.663 -11.641 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 176 5.272 -12.002 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.183 -14.141 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.528 -13.769 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 176 3.160 -14.822 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.288 -13.172 -5.157 1.00 0.00 H new ATOM 396 N GLU A 177 5.064 -10.998 -5.266 1.00 0.00 N ATOM 397 CA GLU A 177 5.861 -10.487 -6.369 1.00 0.00 C ATOM 398 C GLU A 177 6.572 -9.186 -6.022 1.00 0.00 C ATOM 399 O GLU A 177 7.730 -8.981 -6.418 1.00 0.00 O ATOM 400 CB GLU A 177 5.039 -10.363 -7.635 1.00 0.00 C ATOM 401 CG GLU A 177 4.613 -11.706 -8.177 1.00 0.00 C ATOM 402 CD GLU A 177 3.797 -11.606 -9.425 1.00 0.00 C ATOM 403 OE1 GLU A 177 4.359 -11.251 -10.485 1.00 0.00 O ATOM 404 OE2 GLU A 177 2.577 -11.884 -9.378 1.00 0.00 O ATOM 0 H GLU A 177 4.056 -10.921 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 177 6.644 -11.221 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.155 -9.758 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.620 -9.836 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.500 -12.307 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 177 4.037 -12.232 -7.415 1.00 0.00 H new ATOM 411 N ARG A 178 5.911 -8.337 -5.251 1.00 0.00 N ATOM 412 CA ARG A 178 6.508 -7.082 -4.815 1.00 0.00 C ATOM 413 C ARG A 178 7.743 -7.329 -3.955 1.00 0.00 C ATOM 414 O ARG A 178 8.782 -6.668 -4.129 1.00 0.00 O ATOM 415 CB ARG A 178 5.485 -6.188 -4.088 1.00 0.00 C ATOM 416 CG ARG A 178 4.426 -5.616 -5.016 1.00 0.00 C ATOM 417 CD ARG A 178 3.448 -4.701 -4.299 1.00 0.00 C ATOM 418 NE ARG A 178 2.495 -4.100 -5.250 1.00 0.00 N ATOM 419 CZ ARG A 178 1.675 -3.064 -4.995 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.658 -2.498 -3.793 1.00 0.00 N ATOM 421 NH2 ARG A 178 0.866 -2.604 -5.951 1.00 0.00 N ATOM 0 H ARG A 178 4.961 -8.493 -4.914 1.00 0.00 H new ATOM 0 HA ARG A 178 6.828 -6.545 -5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 178 4.998 -6.768 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.011 -5.369 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 178 4.913 -5.062 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 178 3.877 -6.434 -5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.905 -5.265 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.994 -3.914 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 178 2.454 -4.506 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.269 -2.848 -3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 178 1.034 -1.713 -3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 178 0.869 -3.038 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 178 0.244 -1.819 -5.759 1.00 0.00 H new ATOM 435 N LEU A 179 7.654 -8.316 -3.077 1.00 0.00 N ATOM 436 CA LEU A 179 8.769 -8.651 -2.209 1.00 0.00 C ATOM 437 C LEU A 179 9.780 -9.547 -2.936 1.00 0.00 C ATOM 438 O LEU A 179 10.950 -9.531 -2.629 1.00 0.00 O ATOM 439 CB LEU A 179 8.264 -9.280 -0.881 1.00 0.00 C ATOM 440 CG LEU A 179 7.517 -10.632 -0.951 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.475 -11.816 -0.987 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.536 -10.768 0.194 1.00 0.00 C ATOM 0 H LEU A 179 6.825 -8.896 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 179 9.294 -7.733 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.125 -9.409 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.603 -8.559 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 179 6.959 -10.641 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.905 -12.744 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 179 9.117 -11.738 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.089 -11.815 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 179 6.023 -11.727 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.073 -10.713 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.805 -9.961 0.144 1.00 0.00 H new ATOM 454 N ARG A 180 9.294 -10.297 -3.917 1.00 0.00 N ATOM 455 CA ARG A 180 10.093 -11.238 -4.730 1.00 0.00 C ATOM 456 C ARG A 180 11.191 -10.488 -5.447 1.00 0.00 C ATOM 457 O ARG A 180 12.372 -10.829 -5.342 1.00 0.00 O ATOM 458 CB ARG A 180 9.149 -11.888 -5.746 1.00 0.00 C ATOM 459 CG ARG A 180 9.679 -13.031 -6.579 1.00 0.00 C ATOM 460 CD ARG A 180 8.516 -13.629 -7.364 1.00 0.00 C ATOM 461 NE ARG A 180 8.911 -14.719 -8.249 1.00 0.00 N ATOM 462 CZ ARG A 180 8.059 -15.564 -8.857 1.00 0.00 C ATOM 463 NH1 ARG A 180 6.752 -15.574 -8.545 1.00 0.00 N ATOM 464 NH2 ARG A 180 8.525 -16.430 -9.746 1.00 0.00 N ATOM 0 H ARG A 180 8.310 -10.276 -4.185 1.00 0.00 H new ATOM 0 HA ARG A 180 10.554 -11.998 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 180 8.273 -12.247 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 180 8.806 -11.110 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 180 10.455 -12.678 -7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 180 10.135 -13.787 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 180 7.765 -13.994 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 180 8.045 -12.844 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 180 9.908 -14.850 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 180 6.392 -14.934 -7.837 1.00 0.00 H new ATOM 0 HH12 ARG A 180 6.120 -16.221 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 180 9.521 -16.451 -9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 180 7.887 -17.075 -10.213 1.00 0.00 H new ATOM 478 N GLN A 181 10.792 -9.435 -6.133 1.00 0.00 N ATOM 479 CA GLN A 181 11.723 -8.614 -6.867 1.00 0.00 C ATOM 480 C GLN A 181 12.633 -7.870 -5.923 1.00 0.00 C ATOM 481 O GLN A 181 13.834 -7.846 -6.112 1.00 0.00 O ATOM 482 CB GLN A 181 10.980 -7.657 -7.800 1.00 0.00 C ATOM 483 CG GLN A 181 10.158 -8.374 -8.852 1.00 0.00 C ATOM 484 CD GLN A 181 11.011 -9.260 -9.730 1.00 0.00 C ATOM 485 OE1 GLN A 181 11.233 -10.432 -9.433 1.00 0.00 O ATOM 486 NE2 GLN A 181 11.494 -8.720 -10.806 1.00 0.00 N ATOM 0 H GLN A 181 9.821 -9.130 -6.195 1.00 0.00 H new ATOM 0 HA GLN A 181 12.345 -9.262 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 181 10.325 -7.017 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.702 -7.005 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.392 -8.977 -8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.641 -7.640 -9.471 1.00 0.00 H new ATOM 0 HE21 GLN A 181 11.290 -7.744 -11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 181 12.078 -9.271 -11.435 1.00 0.00 H new ATOM 495 N TYR A 182 12.049 -7.324 -4.877 1.00 0.00 N ATOM 496 CA TYR A 182 12.779 -6.576 -3.853 1.00 0.00 C ATOM 497 C TYR A 182 13.884 -7.440 -3.252 1.00 0.00 C ATOM 498 O TYR A 182 15.032 -7.018 -3.176 1.00 0.00 O ATOM 499 CB TYR A 182 11.795 -6.127 -2.756 1.00 0.00 C ATOM 500 CG TYR A 182 12.389 -5.219 -1.709 1.00 0.00 C ATOM 501 CD1 TYR A 182 12.417 -3.850 -1.907 1.00 0.00 C ATOM 502 CD2 TYR A 182 12.915 -5.724 -0.525 1.00 0.00 C ATOM 503 CE1 TYR A 182 12.960 -3.009 -0.969 1.00 0.00 C ATOM 504 CE2 TYR A 182 13.459 -4.885 0.423 1.00 0.00 C ATOM 505 CZ TYR A 182 13.476 -3.527 0.198 1.00 0.00 C ATOM 506 OH TYR A 182 14.032 -2.682 1.132 1.00 0.00 O ATOM 0 H TYR A 182 11.045 -7.383 -4.704 1.00 0.00 H new ATOM 0 HA TYR A 182 13.241 -5.699 -4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.956 -5.615 -3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.393 -7.012 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 182 12.004 -3.436 -2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 182 12.897 -6.789 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 182 12.983 -1.944 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 182 13.869 -5.290 1.336 1.00 0.00 H new ATOM 0 HH TYR A 182 14.349 -3.204 1.898 1.00 0.00 H new ATOM 516 N ALA A 183 13.522 -8.653 -2.862 1.00 0.00 N ATOM 517 CA ALA A 183 14.439 -9.602 -2.260 1.00 0.00 C ATOM 518 C ALA A 183 15.620 -9.875 -3.173 1.00 0.00 C ATOM 519 O ALA A 183 16.782 -9.714 -2.771 1.00 0.00 O ATOM 520 CB ALA A 183 13.717 -10.907 -1.946 1.00 0.00 C ATOM 0 H ALA A 183 12.570 -9.008 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 183 14.813 -9.166 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 183 14.417 -11.610 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 183 12.899 -10.713 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.318 -11.333 -2.867 1.00 0.00 H new ATOM 526 N GLU A 184 15.331 -10.244 -4.406 1.00 0.00 N ATOM 527 CA GLU A 184 16.367 -10.578 -5.349 1.00 0.00 C ATOM 528 C GLU A 184 17.235 -9.405 -5.715 1.00 0.00 C ATOM 529 O GLU A 184 18.445 -9.550 -5.835 1.00 0.00 O ATOM 530 CB GLU A 184 15.817 -11.213 -6.591 1.00 0.00 C ATOM 531 CG GLU A 184 15.181 -12.534 -6.325 1.00 0.00 C ATOM 532 CD GLU A 184 14.818 -13.244 -7.576 1.00 0.00 C ATOM 533 OE1 GLU A 184 13.893 -12.835 -8.259 1.00 0.00 O ATOM 534 OE2 GLU A 184 15.496 -14.244 -7.918 1.00 0.00 O ATOM 0 H GLU A 184 14.382 -10.319 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 184 16.996 -11.304 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 184 15.083 -10.545 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 184 16.621 -11.340 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.864 -13.153 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 184 14.287 -12.389 -5.719 1.00 0.00 H new ATOM 541 N LYS A 185 16.636 -8.247 -5.869 1.00 0.00 N ATOM 542 CA LYS A 185 17.380 -7.071 -6.260 1.00 0.00 C ATOM 543 C LYS A 185 18.308 -6.595 -5.156 1.00 0.00 C ATOM 544 O LYS A 185 19.359 -6.031 -5.439 1.00 0.00 O ATOM 545 CB LYS A 185 16.455 -5.945 -6.728 1.00 0.00 C ATOM 546 CG LYS A 185 15.638 -6.292 -7.969 1.00 0.00 C ATOM 547 CD LYS A 185 16.514 -6.527 -9.188 1.00 0.00 C ATOM 548 CE LYS A 185 15.677 -6.924 -10.400 1.00 0.00 C ATOM 549 NZ LYS A 185 16.493 -6.974 -11.635 1.00 0.00 N ATOM 0 H LYS A 185 15.637 -8.093 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 185 18.002 -7.359 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 185 15.774 -5.687 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 185 17.054 -5.058 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.045 -7.185 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.937 -5.484 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 185 17.079 -5.622 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 185 17.240 -7.311 -8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 185 15.222 -7.899 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 185 14.863 -6.211 -10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 15.891 -7.247 -12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 16.907 -6.037 -11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 17.255 -7.673 -11.520 1.00 0.00 H new ATOM 563 N LYS A 186 17.944 -6.833 -3.906 1.00 0.00 N ATOM 564 CA LYS A 186 18.799 -6.411 -2.807 1.00 0.00 C ATOM 565 C LYS A 186 19.877 -7.440 -2.540 1.00 0.00 C ATOM 566 O LYS A 186 21.025 -7.082 -2.310 1.00 0.00 O ATOM 567 CB LYS A 186 18.023 -6.122 -1.508 1.00 0.00 C ATOM 568 CG LYS A 186 16.866 -5.123 -1.604 1.00 0.00 C ATOM 569 CD LYS A 186 17.189 -3.930 -2.480 1.00 0.00 C ATOM 570 CE LYS A 186 16.281 -2.755 -2.176 1.00 0.00 C ATOM 571 NZ LYS A 186 16.479 -2.252 -0.796 1.00 0.00 N ATOM 0 H LYS A 186 17.083 -7.305 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 186 19.254 -5.473 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.627 -7.065 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 186 18.730 -5.753 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 186 15.986 -5.630 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 186 16.610 -4.774 -0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 186 18.228 -3.637 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 186 17.086 -4.209 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 186 16.474 -1.952 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.241 -3.055 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 15.643 -2.479 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 17.319 -2.702 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 16.614 -1.221 -0.818 1.00 0.00 H new ATOM 585 N ALA A 187 19.509 -8.708 -2.570 1.00 0.00 N ATOM 586 CA ALA A 187 20.465 -9.775 -2.331 1.00 0.00 C ATOM 587 C ALA A 187 21.452 -9.863 -3.469 1.00 0.00 C ATOM 588 O ALA A 187 22.671 -9.875 -3.258 1.00 0.00 O ATOM 589 CB ALA A 187 19.760 -11.107 -2.147 1.00 0.00 C ATOM 0 H ALA A 187 18.557 -9.024 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 187 21.004 -9.544 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.499 -11.888 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.084 -11.046 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.190 -11.344 -3.045 1.00 0.00 H new ATOM 595 N LYS A 188 20.942 -9.872 -4.678 1.00 0.00 N ATOM 596 CA LYS A 188 21.772 -10.009 -5.841 1.00 0.00 C ATOM 597 C LYS A 188 22.203 -8.671 -6.403 1.00 0.00 C ATOM 598 O LYS A 188 21.750 -8.227 -7.470 1.00 0.00 O ATOM 599 CB LYS A 188 21.137 -10.928 -6.894 1.00 0.00 C ATOM 600 CG LYS A 188 21.070 -12.381 -6.443 1.00 0.00 C ATOM 601 CD LYS A 188 20.365 -13.285 -7.440 1.00 0.00 C ATOM 602 CE LYS A 188 18.862 -13.069 -7.458 1.00 0.00 C ATOM 603 NZ LYS A 188 18.172 -14.039 -8.349 1.00 0.00 N ATOM 0 H LYS A 188 19.946 -9.785 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 188 22.689 -10.503 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.131 -10.575 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 188 21.711 -10.865 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 188 22.082 -12.751 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 188 20.553 -12.434 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 188 20.767 -13.104 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 188 20.576 -14.326 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 188 18.470 -13.164 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 188 18.645 -12.054 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 17.198 -14.184 -8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 18.154 -13.667 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 18.681 -14.946 -8.335 1.00 0.00 H new ATOM 617 N LYS A 189 23.003 -8.000 -5.618 1.00 0.00 N ATOM 618 CA LYS A 189 23.660 -6.775 -5.998 1.00 0.00 C ATOM 619 C LYS A 189 25.043 -7.162 -6.520 1.00 0.00 C ATOM 620 O LYS A 189 25.555 -8.227 -6.143 1.00 0.00 O ATOM 621 CB LYS A 189 23.795 -5.830 -4.773 1.00 0.00 C ATOM 622 CG LYS A 189 22.528 -5.108 -4.335 1.00 0.00 C ATOM 623 CD LYS A 189 22.049 -4.107 -5.374 1.00 0.00 C ATOM 624 CE LYS A 189 20.830 -3.325 -4.877 1.00 0.00 C ATOM 625 NZ LYS A 189 21.129 -2.496 -3.682 1.00 0.00 N ATOM 0 H LYS A 189 23.223 -8.299 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 189 23.086 -6.245 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 189 24.165 -6.413 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 189 24.554 -5.082 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 189 21.742 -5.839 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 189 22.713 -4.591 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 189 22.856 -3.414 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 189 21.796 -4.630 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 189 20.465 -2.682 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 189 20.028 -4.024 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 20.357 -1.816 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 21.220 -3.110 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 22.020 -1.980 -3.831 1.00 0.00 H new ATOM 639 N PRO A 190 25.656 -6.357 -7.406 1.00 0.00 N ATOM 640 CA PRO A 190 26.991 -6.657 -7.941 1.00 0.00 C ATOM 641 C PRO A 190 28.094 -6.517 -6.872 1.00 0.00 C ATOM 642 O PRO A 190 27.802 -6.250 -5.690 1.00 0.00 O ATOM 643 CB PRO A 190 27.174 -5.611 -9.045 1.00 0.00 C ATOM 644 CG PRO A 190 26.298 -4.485 -8.636 1.00 0.00 C ATOM 645 CD PRO A 190 25.101 -5.116 -7.986 1.00 0.00 C ATOM 0 HA PRO A 190 27.069 -7.685 -8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 190 28.214 -5.296 -9.125 1.00 0.00 H new ATOM 0 HB3 PRO A 190 26.884 -6.006 -10.019 1.00 0.00 H new ATOM 0 HG2 PRO A 190 26.814 -3.819 -7.944 1.00 0.00 H new ATOM 0 HG3 PRO A 190 26.005 -3.884 -9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 190 24.669 -4.470 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 190 24.312 -5.325 -8.709 1.00 0.00 H new ATOM 653 N ALA A 191 29.341 -6.678 -7.306 1.00 0.00 N ATOM 654 CA ALA A 191 30.552 -6.635 -6.474 1.00 0.00 C ATOM 655 C ALA A 191 30.679 -7.879 -5.604 1.00 0.00 C ATOM 656 O ALA A 191 31.591 -8.680 -5.790 1.00 0.00 O ATOM 657 CB ALA A 191 30.666 -5.348 -5.646 1.00 0.00 C ATOM 0 H ALA A 191 29.550 -6.850 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 191 31.396 -6.626 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 191 31.580 -5.376 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 191 30.693 -4.487 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 191 29.806 -5.265 -4.982 1.00 0.00 H new ATOM 663 N LEU A 192 29.751 -8.061 -4.706 1.00 0.00 N ATOM 664 CA LEU A 192 29.777 -9.176 -3.787 1.00 0.00 C ATOM 665 C LEU A 192 29.134 -10.395 -4.426 1.00 0.00 C ATOM 666 O LEU A 192 29.859 -11.366 -4.752 1.00 0.00 O ATOM 667 CB LEU A 192 29.081 -8.811 -2.468 1.00 0.00 C ATOM 668 CG LEU A 192 29.684 -7.638 -1.678 1.00 0.00 C ATOM 669 CD1 LEU A 192 28.867 -7.370 -0.426 1.00 0.00 C ATOM 670 CD2 LEU A 192 31.137 -7.916 -1.310 1.00 0.00 C ATOM 671 OXT LEU A 192 27.914 -10.378 -4.667 1.00 0.00 O ATOM 0 H LEU A 192 28.950 -7.440 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 192 30.815 -9.416 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 192 28.039 -8.577 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 192 29.082 -9.692 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 192 29.658 -6.753 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 192 29.306 -6.537 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 192 27.843 -7.121 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 192 28.865 -8.259 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 192 31.539 -7.070 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 192 31.191 -8.815 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 192 31.721 -8.062 -2.219 1.00 0.00 H new TER 683 LEU A 192