USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 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 181 GLN : amide:sc= 0.796 K(o=2,f=-8.9!) USER MOD Set 1.2: A 185 LYS NZ :NH3+ -157:sc= 1.19 (180deg=-0.151) USER MOD Single : A 152 SER OG : rot 167:sc= -1.19 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -0.871! C(o=-0.87!,f=-2!) USER MOD Single : A 169 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0346) USER MOD Single : A 173 GLN : amide:sc= -0.903 K(o=-0.9,f=-0.0095) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000277) USER MOD Single : A 188 LYS NZ :NH3+ -168:sc= -0.0274 (180deg=-0.267) USER MOD Single : A 189 LYS NZ :NH3+ -172:sc=-0.00716 (180deg=-0.0957) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 8.753 4.411 4.625 1.00 0.00 N ATOM 2 CA GLY A 149 7.473 4.370 5.316 1.00 0.00 C ATOM 3 C GLY A 149 6.721 3.131 4.950 1.00 0.00 C ATOM 4 O GLY A 149 7.318 2.058 4.895 1.00 0.00 O ATOM 0 HA2 GLY A 149 7.634 4.400 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 149 6.884 5.250 5.057 1.00 0.00 H new ATOM 10 N PRO A 150 5.417 3.226 4.671 1.00 0.00 N ATOM 11 CA PRO A 150 4.624 2.072 4.310 1.00 0.00 C ATOM 12 C PRO A 150 4.921 1.626 2.885 1.00 0.00 C ATOM 13 O PRO A 150 4.567 2.303 1.920 1.00 0.00 O ATOM 14 CB PRO A 150 3.170 2.543 4.439 1.00 0.00 C ATOM 15 CG PRO A 150 3.222 3.983 4.855 1.00 0.00 C ATOM 16 CD PRO A 150 4.626 4.460 4.650 1.00 0.00 C ATOM 0 HA PRO A 150 4.840 1.214 4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 150 2.641 2.432 3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 150 2.633 1.946 5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 150 2.525 4.578 4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 150 2.929 4.091 5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 150 4.735 4.990 3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 150 4.935 5.147 5.438 1.00 0.00 H new ATOM 24 N GLY A 151 5.613 0.517 2.765 1.00 0.00 N ATOM 25 CA GLY A 151 5.966 0.011 1.474 1.00 0.00 C ATOM 26 C GLY A 151 4.788 -0.606 0.760 1.00 0.00 C ATOM 27 O GLY A 151 4.358 -0.126 -0.296 1.00 0.00 O ATOM 0 H GLY A 151 5.939 -0.047 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.373 0.820 0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.754 -0.734 1.581 1.00 0.00 H new ATOM 31 N SER A 152 4.247 -1.647 1.328 1.00 0.00 N ATOM 32 CA SER A 152 3.137 -2.342 0.716 1.00 0.00 C ATOM 33 C SER A 152 1.923 -2.352 1.644 1.00 0.00 C ATOM 34 O SER A 152 0.933 -3.011 1.373 1.00 0.00 O ATOM 35 CB SER A 152 3.574 -3.766 0.405 1.00 0.00 C ATOM 36 OG SER A 152 4.860 -3.786 -0.225 1.00 0.00 O ATOM 0 H SER A 152 4.555 -2.039 2.218 1.00 0.00 H new ATOM 0 HA SER A 152 2.848 -1.829 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 152 3.608 -4.348 1.326 1.00 0.00 H new ATOM 0 HB3 SER A 152 2.840 -4.241 -0.246 1.00 0.00 H new ATOM 0 HG SER A 152 5.210 -4.701 -0.225 1.00 0.00 H new ATOM 42 N GLU A 153 1.995 -1.565 2.698 1.00 0.00 N ATOM 43 CA GLU A 153 0.952 -1.534 3.722 1.00 0.00 C ATOM 44 C GLU A 153 -0.348 -0.899 3.210 1.00 0.00 C ATOM 45 O GLU A 153 -1.448 -1.300 3.598 1.00 0.00 O ATOM 46 CB GLU A 153 1.465 -0.812 4.960 1.00 0.00 C ATOM 47 CG GLU A 153 2.681 -1.477 5.581 1.00 0.00 C ATOM 48 CD GLU A 153 3.206 -0.745 6.784 1.00 0.00 C ATOM 49 OE1 GLU A 153 2.511 -0.686 7.820 1.00 0.00 O ATOM 50 OE2 GLU A 153 4.337 -0.214 6.722 1.00 0.00 O ATOM 0 H GLU A 153 2.772 -0.928 2.875 1.00 0.00 H new ATOM 0 HA GLU A 153 0.710 -2.564 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 153 1.716 0.215 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 153 0.667 -0.764 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 153 2.423 -2.496 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 153 3.471 -1.547 4.833 1.00 0.00 H new ATOM 57 N ASP A 154 -0.222 0.051 2.309 1.00 0.00 N ATOM 58 CA ASP A 154 -1.395 0.747 1.766 1.00 0.00 C ATOM 59 C ASP A 154 -1.763 0.164 0.447 1.00 0.00 C ATOM 60 O ASP A 154 -2.943 0.017 0.129 1.00 0.00 O ATOM 61 CB ASP A 154 -1.171 2.249 1.602 1.00 0.00 C ATOM 62 CG ASP A 154 -1.023 2.982 2.905 1.00 0.00 C ATOM 63 OD1 ASP A 154 -2.047 3.284 3.555 1.00 0.00 O ATOM 64 OD2 ASP A 154 0.117 3.289 3.306 1.00 0.00 O ATOM 0 H ASP A 154 0.671 0.367 1.931 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.202 0.611 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -0.277 2.411 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -2.008 2.674 1.049 1.00 0.00 H new ATOM 69 N ASP A 155 -0.739 -0.228 -0.308 1.00 0.00 N ATOM 70 CA ASP A 155 -0.898 -0.856 -1.640 1.00 0.00 C ATOM 71 C ASP A 155 -1.577 -2.226 -1.494 1.00 0.00 C ATOM 72 O ASP A 155 -2.010 -2.845 -2.456 1.00 0.00 O ATOM 73 CB ASP A 155 0.480 -0.984 -2.323 1.00 0.00 C ATOM 74 CG ASP A 155 0.413 -1.462 -3.766 1.00 0.00 C ATOM 75 OD1 ASP A 155 -0.191 -0.764 -4.606 1.00 0.00 O ATOM 76 OD2 ASP A 155 1.027 -2.496 -4.092 1.00 0.00 O ATOM 0 H ASP A 155 0.234 -0.123 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 155 -1.532 -0.230 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 155 0.980 -0.016 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 155 1.095 -1.677 -1.750 1.00 0.00 H new ATOM 81 N ASP A 156 -1.662 -2.658 -0.252 1.00 0.00 N ATOM 82 CA ASP A 156 -2.353 -3.871 0.179 1.00 0.00 C ATOM 83 C ASP A 156 -3.851 -3.767 -0.085 1.00 0.00 C ATOM 84 O ASP A 156 -4.525 -4.758 -0.380 1.00 0.00 O ATOM 85 CB ASP A 156 -2.088 -4.071 1.683 1.00 0.00 C ATOM 86 CG ASP A 156 -2.952 -5.119 2.345 1.00 0.00 C ATOM 87 OD1 ASP A 156 -2.623 -6.318 2.277 1.00 0.00 O ATOM 88 OD2 ASP A 156 -3.957 -4.752 2.982 1.00 0.00 O ATOM 0 H ASP A 156 -1.234 -2.155 0.525 1.00 0.00 H new ATOM 0 HA ASP A 156 -1.978 -4.725 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -1.042 -4.344 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -2.239 -3.120 2.194 1.00 0.00 H new ATOM 93 N ILE A 157 -4.351 -2.573 -0.024 1.00 0.00 N ATOM 94 CA ILE A 157 -5.765 -2.323 -0.203 1.00 0.00 C ATOM 95 C ILE A 157 -6.042 -1.998 -1.654 1.00 0.00 C ATOM 96 O ILE A 157 -5.686 -0.919 -2.137 1.00 0.00 O ATOM 97 CB ILE A 157 -6.248 -1.141 0.682 1.00 0.00 C ATOM 98 CG1 ILE A 157 -5.921 -1.408 2.160 1.00 0.00 C ATOM 99 CG2 ILE A 157 -7.753 -0.881 0.497 1.00 0.00 C ATOM 100 CD1 ILE A 157 -6.637 -2.610 2.759 1.00 0.00 C ATOM 0 H ILE A 157 -3.797 -1.735 0.151 1.00 0.00 H new ATOM 0 HA ILE A 157 -6.306 -3.221 0.095 1.00 0.00 H new ATOM 0 HB ILE A 157 -5.716 -0.245 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.846 -1.555 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.177 -0.522 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -8.059 -0.048 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -7.955 -0.637 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -8.313 -1.773 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -6.347 -2.723 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -7.715 -2.460 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -6.363 -3.509 2.207 1.00 0.00 H new ATOM 112 N ASP A 158 -6.628 -2.931 -2.357 1.00 0.00 N ATOM 113 CA ASP A 158 -6.979 -2.698 -3.745 1.00 0.00 C ATOM 114 C ASP A 158 -8.390 -2.153 -3.832 1.00 0.00 C ATOM 115 O ASP A 158 -9.303 -2.669 -3.178 1.00 0.00 O ATOM 116 CB ASP A 158 -6.848 -3.959 -4.585 1.00 0.00 C ATOM 117 CG ASP A 158 -7.215 -3.694 -6.021 1.00 0.00 C ATOM 118 OD1 ASP A 158 -6.398 -3.125 -6.755 1.00 0.00 O ATOM 119 OD2 ASP A 158 -8.339 -4.003 -6.422 1.00 0.00 O ATOM 0 H ASP A 158 -6.873 -3.855 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 158 -6.279 -1.966 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -5.825 -4.331 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -7.493 -4.739 -4.179 1.00 0.00 H new ATOM 124 N LEU A 159 -8.569 -1.127 -4.623 1.00 0.00 N ATOM 125 CA LEU A 159 -9.854 -0.444 -4.728 1.00 0.00 C ATOM 126 C LEU A 159 -10.660 -0.934 -5.941 1.00 0.00 C ATOM 127 O LEU A 159 -11.851 -0.653 -6.068 1.00 0.00 O ATOM 128 CB LEU A 159 -9.603 1.073 -4.836 1.00 0.00 C ATOM 129 CG LEU A 159 -10.835 1.986 -4.905 1.00 0.00 C ATOM 130 CD1 LEU A 159 -11.674 1.860 -3.645 1.00 0.00 C ATOM 131 CD2 LEU A 159 -10.418 3.430 -5.129 1.00 0.00 C ATOM 0 H LEU A 159 -7.837 -0.734 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 159 -10.441 -0.667 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.004 1.378 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -8.999 1.253 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.445 1.669 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -12.541 2.517 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -12.008 0.829 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -11.076 2.144 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.305 4.062 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -9.782 3.757 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -9.867 3.508 -6.066 1.00 0.00 H new ATOM 143 N PHE A 160 -10.030 -1.688 -6.808 1.00 0.00 N ATOM 144 CA PHE A 160 -10.680 -2.084 -8.035 1.00 0.00 C ATOM 145 C PHE A 160 -11.362 -3.418 -7.900 1.00 0.00 C ATOM 146 O PHE A 160 -12.273 -3.739 -8.658 1.00 0.00 O ATOM 147 CB PHE A 160 -9.715 -2.031 -9.212 1.00 0.00 C ATOM 148 CG PHE A 160 -9.145 -0.655 -9.396 1.00 0.00 C ATOM 149 CD1 PHE A 160 -9.956 0.387 -9.805 1.00 0.00 C ATOM 150 CD2 PHE A 160 -7.820 -0.394 -9.114 1.00 0.00 C ATOM 151 CE1 PHE A 160 -9.454 1.661 -9.940 1.00 0.00 C ATOM 152 CE2 PHE A 160 -7.311 0.880 -9.241 1.00 0.00 C ATOM 153 CZ PHE A 160 -8.128 1.909 -9.653 1.00 0.00 C ATOM 0 H PHE A 160 -9.079 -2.037 -6.690 1.00 0.00 H new ATOM 0 HA PHE A 160 -11.469 -1.361 -8.244 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -8.905 -2.743 -9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -10.232 -2.336 -10.122 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -10.997 0.199 -10.021 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -7.175 -1.197 -8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -10.096 2.464 -10.270 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -6.272 1.071 -9.018 1.00 0.00 H new ATOM 0 HZ PHE A 160 -7.731 2.909 -9.751 1.00 0.00 H new ATOM 163 N GLY A 161 -10.905 -4.211 -6.967 1.00 0.00 N ATOM 164 CA GLY A 161 -11.580 -5.425 -6.625 1.00 0.00 C ATOM 165 C GLY A 161 -12.903 -5.111 -5.973 1.00 0.00 C ATOM 166 O GLY A 161 -13.106 -3.989 -5.475 1.00 0.00 O ATOM 0 H GLY A 161 -10.058 -4.031 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -11.739 -6.027 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.963 -6.016 -5.949 1.00 0.00 H new ATOM 170 N SER A 162 -13.785 -6.057 -5.934 1.00 0.00 N ATOM 171 CA SER A 162 -15.093 -5.833 -5.359 1.00 0.00 C ATOM 172 C SER A 162 -14.986 -5.913 -3.835 1.00 0.00 C ATOM 173 O SER A 162 -15.808 -5.370 -3.095 1.00 0.00 O ATOM 174 CB SER A 162 -16.074 -6.850 -5.920 1.00 0.00 C ATOM 175 OG SER A 162 -16.060 -6.797 -7.349 1.00 0.00 O ATOM 0 H SER A 162 -13.632 -7.000 -6.292 1.00 0.00 H new ATOM 0 HA SER A 162 -15.465 -4.842 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 162 -15.808 -7.851 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 162 -17.078 -6.644 -5.549 1.00 0.00 H new ATOM 0 HG SER A 162 -16.692 -7.455 -7.707 1.00 0.00 H new ATOM 181 N ASP A 163 -13.941 -6.559 -3.398 1.00 0.00 N ATOM 182 CA ASP A 163 -13.602 -6.698 -2.009 1.00 0.00 C ATOM 183 C ASP A 163 -12.152 -7.134 -1.991 1.00 0.00 C ATOM 184 O ASP A 163 -11.637 -7.618 -3.009 1.00 0.00 O ATOM 185 CB ASP A 163 -14.497 -7.754 -1.302 1.00 0.00 C ATOM 186 CG ASP A 163 -14.374 -7.731 0.214 1.00 0.00 C ATOM 187 OD1 ASP A 163 -13.314 -8.105 0.745 1.00 0.00 O ATOM 188 OD2 ASP A 163 -15.336 -7.336 0.891 1.00 0.00 O ATOM 0 H ASP A 163 -13.278 -7.020 -4.022 1.00 0.00 H new ATOM 0 HA ASP A 163 -13.759 -5.763 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -15.537 -7.581 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.232 -8.747 -1.666 1.00 0.00 H new ATOM 193 N ASN A 164 -11.516 -7.033 -0.887 1.00 0.00 N ATOM 194 CA ASN A 164 -10.110 -7.363 -0.792 1.00 0.00 C ATOM 195 C ASN A 164 -9.928 -8.812 -0.568 1.00 0.00 C ATOM 196 O ASN A 164 -8.932 -9.387 -0.996 1.00 0.00 O ATOM 197 CB ASN A 164 -9.362 -6.547 0.272 1.00 0.00 C ATOM 198 CG ASN A 164 -9.216 -5.077 -0.080 1.00 0.00 C ATOM 199 OD1 ASN A 164 -9.177 -4.220 0.798 1.00 0.00 O ATOM 200 ND2 ASN A 164 -9.107 -4.776 -1.352 1.00 0.00 N ATOM 0 H ASN A 164 -11.937 -6.721 -0.012 1.00 0.00 H new ATOM 0 HA ASN A 164 -9.666 -7.091 -1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -9.890 -6.634 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -8.371 -6.977 0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -8.986 -3.804 -1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -9.144 -5.514 -2.056 1.00 0.00 H new ATOM 207 N GLU A 165 -10.906 -9.430 0.053 1.00 0.00 N ATOM 208 CA GLU A 165 -10.826 -10.843 0.291 1.00 0.00 C ATOM 209 C GLU A 165 -11.276 -11.609 -0.946 1.00 0.00 C ATOM 210 O GLU A 165 -11.056 -12.821 -1.065 1.00 0.00 O ATOM 211 CB GLU A 165 -11.606 -11.273 1.533 1.00 0.00 C ATOM 212 CG GLU A 165 -13.102 -11.055 1.446 1.00 0.00 C ATOM 213 CD GLU A 165 -13.802 -11.477 2.691 1.00 0.00 C ATOM 214 OE1 GLU A 165 -14.046 -12.682 2.862 1.00 0.00 O ATOM 215 OE2 GLU A 165 -14.119 -10.626 3.541 1.00 0.00 O ATOM 0 H GLU A 165 -11.754 -8.979 0.397 1.00 0.00 H new ATOM 0 HA GLU A 165 -9.782 -11.086 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -11.416 -12.331 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -11.222 -10.726 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -13.304 -10.001 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -13.501 -11.613 0.599 1.00 0.00 H new ATOM 222 N GLU A 166 -11.931 -10.911 -1.861 1.00 0.00 N ATOM 223 CA GLU A 166 -12.355 -11.531 -3.085 1.00 0.00 C ATOM 224 C GLU A 166 -11.236 -11.444 -4.124 1.00 0.00 C ATOM 225 O GLU A 166 -11.004 -12.372 -4.882 1.00 0.00 O ATOM 226 CB GLU A 166 -13.736 -10.989 -3.550 1.00 0.00 C ATOM 227 CG GLU A 166 -13.817 -9.603 -4.184 1.00 0.00 C ATOM 228 CD GLU A 166 -13.274 -9.494 -5.589 1.00 0.00 C ATOM 229 OE1 GLU A 166 -13.530 -10.381 -6.408 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.637 -8.492 -5.905 1.00 0.00 O ATOM 0 H GLU A 166 -12.174 -9.924 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.531 -12.595 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -14.144 -11.702 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.398 -10.993 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.860 -9.287 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -13.276 -8.901 -3.549 1.00 0.00 H new ATOM 237 N GLU A 167 -10.534 -10.318 -4.129 1.00 0.00 N ATOM 238 CA GLU A 167 -9.348 -10.111 -4.961 1.00 0.00 C ATOM 239 C GLU A 167 -8.108 -10.670 -4.230 1.00 0.00 C ATOM 240 O GLU A 167 -6.963 -10.405 -4.602 1.00 0.00 O ATOM 241 CB GLU A 167 -9.151 -8.629 -5.215 1.00 0.00 C ATOM 242 CG GLU A 167 -8.301 -8.359 -6.438 1.00 0.00 C ATOM 243 CD GLU A 167 -9.054 -8.594 -7.727 1.00 0.00 C ATOM 244 OE1 GLU A 167 -9.368 -9.752 -8.048 1.00 0.00 O ATOM 245 OE2 GLU A 167 -9.388 -7.611 -8.438 1.00 0.00 O ATOM 0 H GLU A 167 -10.772 -9.512 -3.551 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.481 -10.626 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.123 -8.153 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.682 -8.173 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.947 -7.329 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.420 -9.000 -6.413 1.00 0.00 H new ATOM 252 N ASP A 168 -8.360 -11.451 -3.185 1.00 0.00 N ATOM 253 CA ASP A 168 -7.318 -12.101 -2.336 1.00 0.00 C ATOM 254 C ASP A 168 -6.315 -12.872 -3.179 1.00 0.00 C ATOM 255 O ASP A 168 -5.146 -13.043 -2.798 1.00 0.00 O ATOM 256 CB ASP A 168 -7.972 -13.027 -1.318 1.00 0.00 C ATOM 257 CG ASP A 168 -6.988 -13.766 -0.452 1.00 0.00 C ATOM 258 OD1 ASP A 168 -6.466 -13.177 0.512 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.742 -14.966 -0.705 1.00 0.00 O ATOM 0 H ASP A 168 -9.310 -11.667 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.777 -11.315 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.635 -12.442 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.594 -13.751 -1.845 1.00 0.00 H new ATOM 264 N LYS A 169 -6.785 -13.311 -4.325 1.00 0.00 N ATOM 265 CA LYS A 169 -5.987 -13.931 -5.346 1.00 0.00 C ATOM 266 C LYS A 169 -4.723 -13.090 -5.639 1.00 0.00 C ATOM 267 O LYS A 169 -3.612 -13.599 -5.579 1.00 0.00 O ATOM 268 CB LYS A 169 -6.878 -14.170 -6.605 1.00 0.00 C ATOM 269 CG LYS A 169 -7.609 -12.919 -7.169 1.00 0.00 C ATOM 270 CD LYS A 169 -6.806 -12.175 -8.245 1.00 0.00 C ATOM 271 CE LYS A 169 -6.504 -13.044 -9.472 1.00 0.00 C ATOM 272 NZ LYS A 169 -7.729 -13.515 -10.155 1.00 0.00 N ATOM 0 H LYS A 169 -7.771 -13.241 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.622 -14.901 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.253 -14.588 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.626 -14.923 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.567 -13.226 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.825 -12.234 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.361 -11.291 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -5.868 -11.825 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.898 -12.474 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.911 -13.905 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -7.468 -14.025 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.255 -14.152 -9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.326 -12.699 -10.399 1.00 0.00 H new ATOM 286 N GLU A 170 -4.887 -11.787 -5.853 1.00 0.00 N ATOM 287 CA GLU A 170 -3.763 -10.942 -6.114 1.00 0.00 C ATOM 288 C GLU A 170 -3.156 -10.440 -4.865 1.00 0.00 C ATOM 289 O GLU A 170 -2.011 -10.057 -4.877 1.00 0.00 O ATOM 290 CB GLU A 170 -4.056 -9.801 -7.047 1.00 0.00 C ATOM 291 CG GLU A 170 -3.248 -9.914 -8.303 1.00 0.00 C ATOM 292 CD GLU A 170 -3.553 -8.868 -9.327 1.00 0.00 C ATOM 293 OE1 GLU A 170 -3.067 -7.741 -9.213 1.00 0.00 O ATOM 294 OE2 GLU A 170 -4.244 -9.180 -10.311 1.00 0.00 O ATOM 0 H GLU A 170 -5.789 -11.311 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 170 -3.045 -11.582 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.118 -9.791 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.835 -8.856 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.190 -9.857 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.417 -10.897 -8.743 1.00 0.00 H new ATOM 301 N ALA A 171 -3.912 -10.447 -3.777 1.00 0.00 N ATOM 302 CA ALA A 171 -3.366 -10.063 -2.488 1.00 0.00 C ATOM 303 C ALA A 171 -2.162 -10.942 -2.190 1.00 0.00 C ATOM 304 O ALA A 171 -1.177 -10.484 -1.685 1.00 0.00 O ATOM 305 CB ALA A 171 -4.412 -10.176 -1.388 1.00 0.00 C ATOM 0 H ALA A 171 -4.897 -10.712 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.057 -9.018 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -3.972 -9.881 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.253 -9.521 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.762 -11.206 -1.323 1.00 0.00 H new ATOM 311 N ALA A 172 -2.263 -12.205 -2.582 1.00 0.00 N ATOM 312 CA ALA A 172 -1.179 -13.151 -2.469 1.00 0.00 C ATOM 313 C ALA A 172 -0.130 -12.895 -3.546 1.00 0.00 C ATOM 314 O ALA A 172 1.040 -12.721 -3.220 1.00 0.00 O ATOM 315 CB ALA A 172 -1.708 -14.575 -2.556 1.00 0.00 C ATOM 0 H ALA A 172 -3.111 -12.598 -2.990 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.704 -13.021 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.879 -15.277 -2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.418 -14.750 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.207 -14.720 -3.514 1.00 0.00 H new ATOM 321 N GLN A 173 -0.566 -12.842 -4.822 1.00 0.00 N ATOM 322 CA GLN A 173 0.326 -12.625 -5.977 1.00 0.00 C ATOM 323 C GLN A 173 1.204 -11.393 -5.806 1.00 0.00 C ATOM 324 O GLN A 173 2.426 -11.486 -5.831 1.00 0.00 O ATOM 325 CB GLN A 173 -0.482 -12.462 -7.249 1.00 0.00 C ATOM 326 CG GLN A 173 -1.305 -13.667 -7.647 1.00 0.00 C ATOM 327 CD GLN A 173 -2.110 -13.425 -8.910 1.00 0.00 C ATOM 328 OE1 GLN A 173 -3.203 -13.964 -9.081 1.00 0.00 O ATOM 329 NE2 GLN A 173 -1.574 -12.647 -9.815 1.00 0.00 N ATOM 0 H GLN A 173 -1.547 -12.949 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 173 0.967 -13.504 -6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.150 -11.609 -7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.199 -12.221 -8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.645 -14.521 -7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.981 -13.927 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -0.666 -12.215 -9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.064 -12.473 -10.692 1.00 0.00 H new ATOM 338 N LEU A 174 0.571 -10.245 -5.620 1.00 0.00 N ATOM 339 CA LEU A 174 1.280 -8.982 -5.445 1.00 0.00 C ATOM 340 C LEU A 174 2.215 -9.061 -4.261 1.00 0.00 C ATOM 341 O LEU A 174 3.388 -8.740 -4.373 1.00 0.00 O ATOM 342 CB LEU A 174 0.281 -7.864 -5.227 1.00 0.00 C ATOM 343 CG LEU A 174 -0.726 -7.666 -6.342 1.00 0.00 C ATOM 344 CD1 LEU A 174 -1.775 -6.655 -5.926 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.036 -7.227 -7.629 1.00 0.00 C ATOM 0 H LEU A 174 -0.445 -10.160 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 174 1.865 -8.782 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.261 -8.059 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.829 -6.932 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.217 -8.620 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.493 -6.521 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.293 -7.014 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.295 -5.702 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.781 -7.092 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.487 -6.286 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.680 -7.989 -7.936 1.00 0.00 H new ATOM 357 N ARG A 175 1.677 -9.522 -3.143 1.00 0.00 N ATOM 358 CA ARG A 175 2.428 -9.698 -1.886 1.00 0.00 C ATOM 359 C ARG A 175 3.738 -10.452 -2.103 1.00 0.00 C ATOM 360 O ARG A 175 4.827 -9.924 -1.818 1.00 0.00 O ATOM 361 CB ARG A 175 1.563 -10.455 -0.879 1.00 0.00 C ATOM 362 CG ARG A 175 2.278 -10.959 0.358 1.00 0.00 C ATOM 363 CD ARG A 175 1.389 -11.920 1.109 1.00 0.00 C ATOM 364 NE ARG A 175 2.076 -12.551 2.236 1.00 0.00 N ATOM 365 CZ ARG A 175 1.979 -13.856 2.566 1.00 0.00 C ATOM 366 NH1 ARG A 175 1.313 -14.706 1.786 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.584 -14.307 3.647 1.00 0.00 N ATOM 0 H ARG A 175 0.696 -9.791 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 175 2.676 -8.708 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.749 -9.802 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.110 -11.307 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.207 -11.454 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.547 -10.120 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.510 -11.388 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.033 -12.691 0.426 1.00 0.00 H new ATOM 0 HE ARG A 175 2.673 -11.961 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.870 -14.373 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 175 1.246 -15.690 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.124 -13.670 4.232 1.00 0.00 H new ATOM 0 HH22 ARG A 175 2.512 -15.293 3.898 1.00 0.00 H new ATOM 381 N GLU A 176 3.630 -11.658 -2.639 1.00 0.00 N ATOM 382 CA GLU A 176 4.779 -12.510 -2.832 1.00 0.00 C ATOM 383 C GLU A 176 5.750 -11.911 -3.822 1.00 0.00 C ATOM 384 O GLU A 176 6.961 -11.957 -3.614 1.00 0.00 O ATOM 385 CB GLU A 176 4.367 -13.935 -3.217 1.00 0.00 C ATOM 386 CG GLU A 176 3.521 -14.044 -4.473 1.00 0.00 C ATOM 387 CD GLU A 176 3.161 -15.458 -4.822 1.00 0.00 C ATOM 388 OE1 GLU A 176 2.246 -16.001 -4.209 1.00 0.00 O ATOM 389 OE2 GLU A 176 3.795 -16.052 -5.720 1.00 0.00 O ATOM 0 H GLU A 176 2.748 -12.066 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 176 5.300 -12.580 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.268 -14.533 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.814 -14.374 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.607 -13.466 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 176 4.062 -13.597 -5.307 1.00 0.00 H new ATOM 396 N GLU A 177 5.226 -11.303 -4.863 1.00 0.00 N ATOM 397 CA GLU A 177 6.074 -10.691 -5.852 1.00 0.00 C ATOM 398 C GLU A 177 6.823 -9.498 -5.320 1.00 0.00 C ATOM 399 O GLU A 177 8.012 -9.396 -5.551 1.00 0.00 O ATOM 400 CB GLU A 177 5.372 -10.396 -7.164 1.00 0.00 C ATOM 401 CG GLU A 177 4.957 -11.662 -7.868 1.00 0.00 C ATOM 402 CD GLU A 177 4.597 -11.462 -9.300 1.00 0.00 C ATOM 403 OE1 GLU A 177 5.518 -11.427 -10.156 1.00 0.00 O ATOM 404 OE2 GLU A 177 3.413 -11.388 -9.617 1.00 0.00 O ATOM 0 H GLU A 177 4.225 -11.221 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 177 6.822 -11.448 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.494 -9.779 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 177 6.034 -9.820 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.770 -12.385 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 177 4.104 -12.095 -7.345 1.00 0.00 H new ATOM 411 N ARG A 178 6.150 -8.638 -4.557 1.00 0.00 N ATOM 412 CA ARG A 178 6.808 -7.467 -3.956 1.00 0.00 C ATOM 413 C ARG A 178 7.998 -7.909 -3.106 1.00 0.00 C ATOM 414 O ARG A 178 9.126 -7.444 -3.301 1.00 0.00 O ATOM 415 CB ARG A 178 5.855 -6.690 -3.047 1.00 0.00 C ATOM 416 CG ARG A 178 4.648 -6.062 -3.714 1.00 0.00 C ATOM 417 CD ARG A 178 3.745 -5.490 -2.647 1.00 0.00 C ATOM 418 NE ARG A 178 2.465 -4.984 -3.148 1.00 0.00 N ATOM 419 CZ ARG A 178 1.265 -5.423 -2.735 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.172 -6.396 -1.835 1.00 0.00 N ATOM 421 NH2 ARG A 178 0.170 -4.856 -3.191 1.00 0.00 N ATOM 0 H ARG A 178 5.157 -8.724 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 178 7.131 -6.828 -4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.502 -7.364 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.422 -5.900 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 178 4.963 -5.278 -4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.112 -6.807 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.551 -6.260 -1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 178 4.269 -4.680 -2.140 1.00 0.00 H new ATOM 0 HE ARG A 178 2.487 -4.251 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.017 -6.817 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.255 -6.721 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 178 0.234 -4.085 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.743 -5.187 -2.880 1.00 0.00 H new ATOM 435 N LEU A 179 7.746 -8.850 -2.205 1.00 0.00 N ATOM 436 CA LEU A 179 8.770 -9.289 -1.282 1.00 0.00 C ATOM 437 C LEU A 179 9.883 -10.100 -1.952 1.00 0.00 C ATOM 438 O LEU A 179 11.053 -9.985 -1.568 1.00 0.00 O ATOM 439 CB LEU A 179 8.173 -9.962 -0.005 1.00 0.00 C ATOM 440 CG LEU A 179 7.251 -11.198 -0.159 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.021 -12.464 -0.505 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.422 -11.402 1.100 1.00 0.00 C ATOM 0 H LEU A 179 6.846 -9.318 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 179 9.269 -8.387 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.008 -10.254 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.611 -9.200 0.535 1.00 0.00 H new ATOM 0 HG LEU A 179 6.585 -10.996 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.326 -13.298 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.550 -12.322 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 179 8.740 -12.680 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.780 -12.274 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.085 -11.558 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.806 -10.520 1.277 1.00 0.00 H new ATOM 454 N ARG A 180 9.555 -10.897 -2.965 1.00 0.00 N ATOM 455 CA ARG A 180 10.604 -11.650 -3.620 1.00 0.00 C ATOM 456 C ARG A 180 11.391 -10.759 -4.566 1.00 0.00 C ATOM 457 O ARG A 180 12.586 -10.908 -4.674 1.00 0.00 O ATOM 458 CB ARG A 180 10.118 -12.956 -4.290 1.00 0.00 C ATOM 459 CG ARG A 180 9.243 -12.794 -5.507 1.00 0.00 C ATOM 460 CD ARG A 180 8.724 -14.145 -5.980 1.00 0.00 C ATOM 461 NE ARG A 180 7.924 -14.039 -7.208 1.00 0.00 N ATOM 462 CZ ARG A 180 6.763 -14.680 -7.439 1.00 0.00 C ATOM 463 NH1 ARG A 180 6.256 -15.480 -6.525 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.135 -14.519 -8.599 1.00 0.00 N ATOM 0 H ARG A 180 8.613 -11.032 -3.333 1.00 0.00 H new ATOM 0 HA ARG A 180 11.280 -11.990 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 180 10.993 -13.542 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 180 9.570 -13.538 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 180 8.404 -12.138 -5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 180 9.809 -12.316 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 180 9.567 -14.814 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 180 8.119 -14.594 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 180 8.277 -13.430 -7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 180 6.743 -15.615 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 180 5.376 -15.964 -6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 180 6.533 -13.910 -9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 180 5.255 -15.005 -8.774 1.00 0.00 H new ATOM 478 N GLN A 181 10.720 -9.784 -5.206 1.00 0.00 N ATOM 479 CA GLN A 181 11.413 -8.818 -6.061 1.00 0.00 C ATOM 480 C GLN A 181 12.358 -7.989 -5.253 1.00 0.00 C ATOM 481 O GLN A 181 13.445 -7.665 -5.709 1.00 0.00 O ATOM 482 CB GLN A 181 10.459 -7.873 -6.796 1.00 0.00 C ATOM 483 CG GLN A 181 9.734 -8.464 -7.976 1.00 0.00 C ATOM 484 CD GLN A 181 10.682 -8.964 -9.039 1.00 0.00 C ATOM 485 OE1 GLN A 181 11.814 -8.478 -9.185 1.00 0.00 O ATOM 486 NE2 GLN A 181 10.221 -9.865 -9.823 1.00 0.00 N ATOM 0 H GLN A 181 9.711 -9.649 -5.145 1.00 0.00 H new ATOM 0 HA GLN A 181 11.948 -9.409 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.719 -7.508 -6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.026 -7.007 -7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.104 -9.287 -7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.072 -7.712 -8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 181 9.285 -10.242 -9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 181 10.790 -10.206 -10.598 1.00 0.00 H new ATOM 495 N TYR A 182 11.930 -7.638 -4.055 1.00 0.00 N ATOM 496 CA TYR A 182 12.731 -6.848 -3.145 1.00 0.00 C ATOM 497 C TYR A 182 14.015 -7.612 -2.847 1.00 0.00 C ATOM 498 O TYR A 182 15.107 -7.076 -2.961 1.00 0.00 O ATOM 499 CB TYR A 182 11.949 -6.591 -1.851 1.00 0.00 C ATOM 500 CG TYR A 182 12.456 -5.427 -1.022 1.00 0.00 C ATOM 501 CD1 TYR A 182 13.603 -5.527 -0.245 1.00 0.00 C ATOM 502 CD2 TYR A 182 11.766 -4.224 -1.012 1.00 0.00 C ATOM 503 CE1 TYR A 182 14.042 -4.462 0.517 1.00 0.00 C ATOM 504 CE2 TYR A 182 12.201 -3.158 -0.254 1.00 0.00 C ATOM 505 CZ TYR A 182 13.338 -3.280 0.504 1.00 0.00 C ATOM 506 OH TYR A 182 13.770 -2.213 1.270 1.00 0.00 O ATOM 0 H TYR A 182 11.014 -7.894 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 182 12.973 -5.885 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.904 -6.411 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.978 -7.493 -1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 182 14.160 -6.452 -0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 182 10.872 -4.121 -1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 182 14.933 -4.557 1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 182 11.649 -2.230 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 182 13.162 -1.454 1.147 1.00 0.00 H new ATOM 516 N ALA A 183 13.870 -8.878 -2.524 1.00 0.00 N ATOM 517 CA ALA A 183 15.009 -9.732 -2.255 1.00 0.00 C ATOM 518 C ALA A 183 15.883 -9.889 -3.509 1.00 0.00 C ATOM 519 O ALA A 183 17.089 -9.614 -3.468 1.00 0.00 O ATOM 520 CB ALA A 183 14.545 -11.086 -1.747 1.00 0.00 C ATOM 0 H ALA A 183 12.966 -9.344 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 183 15.616 -9.263 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.412 -11.717 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.975 -10.954 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.915 -11.560 -2.499 1.00 0.00 H new ATOM 526 N GLU A 184 15.257 -10.273 -4.626 1.00 0.00 N ATOM 527 CA GLU A 184 15.950 -10.496 -5.893 1.00 0.00 C ATOM 528 C GLU A 184 16.733 -9.274 -6.364 1.00 0.00 C ATOM 529 O GLU A 184 17.923 -9.365 -6.666 1.00 0.00 O ATOM 530 CB GLU A 184 14.976 -10.897 -7.006 1.00 0.00 C ATOM 531 CG GLU A 184 14.320 -12.244 -6.835 1.00 0.00 C ATOM 532 CD GLU A 184 13.384 -12.577 -7.979 1.00 0.00 C ATOM 533 OE1 GLU A 184 12.349 -11.909 -8.147 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.672 -13.520 -8.751 1.00 0.00 O ATOM 0 H GLU A 184 14.252 -10.438 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 184 16.650 -11.308 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.197 -10.138 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 184 15.512 -10.890 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.089 -13.013 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 184 13.764 -12.259 -5.898 1.00 0.00 H new ATOM 541 N LYS A 185 16.072 -8.142 -6.411 1.00 0.00 N ATOM 542 CA LYS A 185 16.656 -6.942 -6.982 1.00 0.00 C ATOM 543 C LYS A 185 17.577 -6.182 -6.031 1.00 0.00 C ATOM 544 O LYS A 185 18.356 -5.354 -6.479 1.00 0.00 O ATOM 545 CB LYS A 185 15.574 -6.036 -7.580 1.00 0.00 C ATOM 546 CG LYS A 185 14.753 -6.703 -8.694 1.00 0.00 C ATOM 547 CD LYS A 185 15.627 -7.105 -9.883 1.00 0.00 C ATOM 548 CE LYS A 185 14.835 -7.834 -10.968 1.00 0.00 C ATOM 549 NZ LYS A 185 14.246 -9.111 -10.487 1.00 0.00 N ATOM 0 H LYS A 185 15.122 -8.022 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 185 17.306 -7.280 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.899 -5.718 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.045 -5.137 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 185 14.252 -7.586 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 185 13.974 -6.019 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 185 16.087 -6.214 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 185 16.437 -7.746 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 185 14.038 -7.184 -11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 185 15.489 -8.037 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 14.068 -9.738 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.907 -9.573 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 13.350 -8.917 -9.997 1.00 0.00 H new ATOM 563 N LYS A 186 17.449 -6.398 -4.731 1.00 0.00 N ATOM 564 CA LYS A 186 18.386 -5.781 -3.782 1.00 0.00 C ATOM 565 C LYS A 186 19.630 -6.645 -3.586 1.00 0.00 C ATOM 566 O LYS A 186 20.755 -6.143 -3.589 1.00 0.00 O ATOM 567 CB LYS A 186 17.738 -5.431 -2.422 1.00 0.00 C ATOM 568 CG LYS A 186 16.930 -4.113 -2.371 1.00 0.00 C ATOM 569 CD LYS A 186 15.805 -4.052 -3.398 1.00 0.00 C ATOM 570 CE LYS A 186 14.909 -2.830 -3.207 1.00 0.00 C ATOM 571 NZ LYS A 186 15.633 -1.540 -3.330 1.00 0.00 N ATOM 0 H LYS A 186 16.726 -6.980 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 186 18.687 -4.835 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.077 -6.249 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 186 18.525 -5.380 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 186 16.508 -3.993 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 186 17.607 -3.274 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 186 16.232 -4.033 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.201 -4.957 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.107 -2.859 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 186 14.441 -2.883 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 14.964 -0.753 -3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 16.371 -1.485 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 16.072 -1.477 -4.271 1.00 0.00 H new ATOM 585 N ALA A 187 19.436 -7.953 -3.449 1.00 0.00 N ATOM 586 CA ALA A 187 20.557 -8.864 -3.227 1.00 0.00 C ATOM 587 C ALA A 187 21.374 -9.031 -4.491 1.00 0.00 C ATOM 588 O ALA A 187 22.595 -9.170 -4.442 1.00 0.00 O ATOM 589 CB ALA A 187 20.073 -10.215 -2.727 1.00 0.00 C ATOM 0 H ALA A 187 18.522 -8.404 -3.487 1.00 0.00 H new ATOM 0 HA ALA A 187 21.194 -8.425 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.928 -10.873 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.538 -10.085 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.405 -10.658 -3.465 1.00 0.00 H new ATOM 595 N LYS A 188 20.699 -9.022 -5.616 1.00 0.00 N ATOM 596 CA LYS A 188 21.353 -9.140 -6.907 1.00 0.00 C ATOM 597 C LYS A 188 21.227 -7.836 -7.661 1.00 0.00 C ATOM 598 O LYS A 188 21.035 -7.810 -8.885 1.00 0.00 O ATOM 599 CB LYS A 188 20.795 -10.314 -7.743 1.00 0.00 C ATOM 600 CG LYS A 188 21.216 -11.712 -7.275 1.00 0.00 C ATOM 601 CD LYS A 188 20.578 -12.139 -5.960 1.00 0.00 C ATOM 602 CE LYS A 188 21.104 -13.494 -5.508 1.00 0.00 C ATOM 603 NZ LYS A 188 20.861 -14.547 -6.516 1.00 0.00 N ATOM 0 H LYS A 188 19.684 -8.933 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 188 22.406 -9.357 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 188 19.706 -10.259 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 188 21.113 -10.185 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 188 20.956 -12.437 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 188 22.300 -11.737 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 188 20.784 -11.392 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 188 19.495 -12.187 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 188 22.174 -13.420 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 188 20.626 -13.774 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 21.045 -15.480 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 19.872 -14.500 -6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 21.494 -14.403 -7.328 1.00 0.00 H new ATOM 617 N LYS A 189 21.364 -6.759 -6.923 1.00 0.00 N ATOM 618 CA LYS A 189 21.327 -5.423 -7.470 1.00 0.00 C ATOM 619 C LYS A 189 22.562 -5.235 -8.355 1.00 0.00 C ATOM 620 O LYS A 189 23.599 -5.876 -8.112 1.00 0.00 O ATOM 621 CB LYS A 189 21.388 -4.413 -6.316 1.00 0.00 C ATOM 622 CG LYS A 189 21.134 -2.956 -6.677 1.00 0.00 C ATOM 623 CD LYS A 189 21.187 -2.079 -5.440 1.00 0.00 C ATOM 624 CE LYS A 189 20.952 -0.616 -5.767 1.00 0.00 C ATOM 625 NZ LYS A 189 22.010 -0.042 -6.633 1.00 0.00 N ATOM 0 H LYS A 189 21.506 -6.787 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 189 20.415 -5.272 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 189 20.658 -4.710 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 189 22.372 -4.483 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 189 21.878 -2.620 -7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 189 20.159 -2.859 -7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 189 20.436 -2.415 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 189 22.158 -2.191 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 189 19.987 -0.510 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 189 20.899 -0.045 -4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 21.873 0.986 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 22.943 -0.236 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 21.957 -0.473 -7.578 1.00 0.00 H new ATOM 639 N PRO A 190 22.466 -4.427 -9.411 1.00 0.00 N ATOM 640 CA PRO A 190 23.616 -4.073 -10.221 1.00 0.00 C ATOM 641 C PRO A 190 24.550 -3.173 -9.415 1.00 0.00 C ATOM 642 O PRO A 190 24.442 -1.938 -9.441 1.00 0.00 O ATOM 643 CB PRO A 190 23.029 -3.311 -11.426 1.00 0.00 C ATOM 644 CG PRO A 190 21.548 -3.509 -11.339 1.00 0.00 C ATOM 645 CD PRO A 190 21.239 -3.821 -9.902 1.00 0.00 C ATOM 0 HA PRO A 190 24.196 -4.940 -10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 190 23.287 -2.253 -11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 190 23.423 -3.699 -12.366 1.00 0.00 H new ATOM 0 HG2 PRO A 190 21.018 -2.614 -11.663 1.00 0.00 H new ATOM 0 HG3 PRO A 190 21.227 -4.323 -11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 190 20.985 -2.921 -9.342 1.00 0.00 H new ATOM 0 HD3 PRO A 190 20.392 -4.502 -9.813 1.00 0.00 H new ATOM 653 N ALA A 191 25.388 -3.795 -8.626 1.00 0.00 N ATOM 654 CA ALA A 191 26.289 -3.086 -7.784 1.00 0.00 C ATOM 655 C ALA A 191 27.572 -2.828 -8.505 1.00 0.00 C ATOM 656 O ALA A 191 28.424 -3.725 -8.667 1.00 0.00 O ATOM 657 CB ALA A 191 26.518 -3.824 -6.478 1.00 0.00 C ATOM 0 H ALA A 191 25.457 -4.810 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 191 25.843 -2.124 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 191 27.211 -3.257 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 191 25.569 -3.938 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 191 26.938 -4.808 -6.685 1.00 0.00 H new ATOM 663 N LEU A 192 27.677 -1.641 -9.005 1.00 0.00 N ATOM 664 CA LEU A 192 28.832 -1.212 -9.700 1.00 0.00 C ATOM 665 C LEU A 192 29.452 -0.098 -8.889 1.00 0.00 C ATOM 666 O LEU A 192 29.286 1.091 -9.239 1.00 0.00 O ATOM 667 CB LEU A 192 28.453 -0.719 -11.107 1.00 0.00 C ATOM 668 CG LEU A 192 27.692 -1.712 -12.002 1.00 0.00 C ATOM 669 CD1 LEU A 192 27.372 -1.083 -13.347 1.00 0.00 C ATOM 670 CD2 LEU A 192 28.484 -2.997 -12.188 1.00 0.00 C ATOM 671 OXT LEU A 192 30.046 -0.398 -7.834 1.00 0.00 O ATOM 0 H LEU A 192 26.945 -0.934 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 192 29.540 -2.031 -9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 192 27.845 0.179 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 192 29.367 -0.426 -11.623 1.00 0.00 H new ATOM 0 HG LEU A 192 26.754 -1.962 -11.506 1.00 0.00 H new ATOM 0 HD11 LEU A 192 26.834 -1.801 -13.966 1.00 0.00 H new ATOM 0 HD12 LEU A 192 26.754 -0.198 -13.197 1.00 0.00 H new ATOM 0 HD13 LEU A 192 28.299 -0.798 -13.845 1.00 0.00 H new ATOM 0 HD21 LEU A 192 27.923 -3.681 -12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 192 29.442 -2.769 -12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 192 28.655 -3.463 -11.217 1.00 0.00 H new TER 683 LEU A 192