USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=5 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= 1.08 K(o=2.3,f=-5.1) USER MOD Set 1.2: A 185 LYS NZ :NH3+ -171:sc= 1.21 (180deg=0) 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= 0 X(o=0,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 139:sc= 0.729 (180deg=-0.0375) USER MOD Single : A 173 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 2.259 1.143 -17.756 1.00 0.00 N ATOM 2 CA GLY A 149 1.286 0.194 -17.229 1.00 0.00 C ATOM 3 C GLY A 149 1.147 0.338 -15.737 1.00 0.00 C ATOM 4 O GLY A 149 1.909 1.095 -15.127 1.00 0.00 O ATOM 0 HA2 GLY A 149 0.319 0.356 -17.705 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.595 -0.822 -17.473 1.00 0.00 H new ATOM 10 N PRO A 150 0.167 -0.353 -15.113 1.00 0.00 N ATOM 11 CA PRO A 150 -0.038 -0.295 -13.664 1.00 0.00 C ATOM 12 C PRO A 150 1.175 -0.812 -12.900 1.00 0.00 C ATOM 13 O PRO A 150 1.710 -0.132 -12.024 1.00 0.00 O ATOM 14 CB PRO A 150 -1.249 -1.208 -13.433 1.00 0.00 C ATOM 15 CG PRO A 150 -1.926 -1.284 -14.754 1.00 0.00 C ATOM 16 CD PRO A 150 -0.834 -1.215 -15.769 1.00 0.00 C ATOM 0 HA PRO A 150 -0.191 0.725 -13.311 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -0.940 -2.195 -13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -1.913 -0.799 -12.671 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -2.493 -2.210 -14.851 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -2.631 -0.463 -14.881 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -0.431 -2.202 -15.997 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -1.182 -0.788 -16.709 1.00 0.00 H new ATOM 24 N GLY A 151 1.607 -2.005 -13.232 1.00 0.00 N ATOM 25 CA GLY A 151 2.760 -2.590 -12.600 1.00 0.00 C ATOM 26 C GLY A 151 2.459 -3.072 -11.199 1.00 0.00 C ATOM 27 O GLY A 151 2.188 -4.253 -10.978 1.00 0.00 O ATOM 0 H GLY A 151 1.171 -2.592 -13.943 1.00 0.00 H new ATOM 0 HA2 GLY A 151 3.117 -3.426 -13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 151 3.565 -1.856 -12.565 1.00 0.00 H new ATOM 31 N SER A 152 2.498 -2.172 -10.259 1.00 0.00 N ATOM 32 CA SER A 152 2.251 -2.506 -8.884 1.00 0.00 C ATOM 33 C SER A 152 1.232 -1.543 -8.265 1.00 0.00 C ATOM 34 O SER A 152 1.022 -1.542 -7.055 1.00 0.00 O ATOM 35 CB SER A 152 3.574 -2.469 -8.128 1.00 0.00 C ATOM 36 OG SER A 152 4.521 -3.331 -8.752 1.00 0.00 O ATOM 0 H SER A 152 2.702 -1.186 -10.423 1.00 0.00 H new ATOM 0 HA SER A 152 1.826 -3.508 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 152 3.959 -1.450 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A 152 3.419 -2.775 -7.093 1.00 0.00 H new ATOM 0 HG SER A 152 5.367 -3.298 -8.259 1.00 0.00 H new ATOM 42 N GLU A 153 0.555 -0.771 -9.106 1.00 0.00 N ATOM 43 CA GLU A 153 -0.408 0.224 -8.624 1.00 0.00 C ATOM 44 C GLU A 153 -1.604 -0.420 -7.942 1.00 0.00 C ATOM 45 O GLU A 153 -2.107 0.090 -6.952 1.00 0.00 O ATOM 46 CB GLU A 153 -0.857 1.156 -9.736 1.00 0.00 C ATOM 47 CG GLU A 153 0.256 2.027 -10.269 1.00 0.00 C ATOM 48 CD GLU A 153 -0.219 2.979 -11.324 1.00 0.00 C ATOM 49 OE1 GLU A 153 -0.809 4.010 -10.973 1.00 0.00 O ATOM 50 OE2 GLU A 153 -0.010 2.712 -12.521 1.00 0.00 O ATOM 0 H GLU A 153 0.651 -0.810 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 153 0.112 0.821 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.269 0.564 -10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -1.661 1.792 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 153 0.698 2.591 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 153 1.043 1.395 -10.681 1.00 0.00 H new ATOM 57 N ASP A 154 -1.985 -1.594 -8.408 1.00 0.00 N ATOM 58 CA ASP A 154 -3.143 -2.320 -7.852 1.00 0.00 C ATOM 59 C ASP A 154 -2.818 -2.910 -6.488 1.00 0.00 C ATOM 60 O ASP A 154 -3.658 -3.520 -5.845 1.00 0.00 O ATOM 61 CB ASP A 154 -3.630 -3.426 -8.799 1.00 0.00 C ATOM 62 CG ASP A 154 -4.161 -2.893 -10.106 1.00 0.00 C ATOM 63 OD1 ASP A 154 -5.335 -2.439 -10.151 1.00 0.00 O ATOM 64 OD2 ASP A 154 -3.414 -2.899 -11.121 1.00 0.00 O ATOM 0 H ASP A 154 -1.516 -2.079 -9.173 1.00 0.00 H new ATOM 0 HA ASP A 154 -3.947 -1.593 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -2.807 -4.112 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.412 -4.002 -8.304 1.00 0.00 H new ATOM 69 N ASP A 155 -1.592 -2.723 -6.077 1.00 0.00 N ATOM 70 CA ASP A 155 -1.102 -3.153 -4.782 1.00 0.00 C ATOM 71 C ASP A 155 -0.776 -1.925 -3.928 1.00 0.00 C ATOM 72 O ASP A 155 -1.052 -1.881 -2.729 1.00 0.00 O ATOM 73 CB ASP A 155 0.175 -3.977 -4.978 1.00 0.00 C ATOM 74 CG ASP A 155 0.792 -4.438 -3.684 1.00 0.00 C ATOM 75 OD1 ASP A 155 0.391 -5.455 -3.154 1.00 0.00 O ATOM 76 OD2 ASP A 155 1.731 -3.786 -3.192 1.00 0.00 O ATOM 0 H ASP A 155 -0.884 -2.256 -6.643 1.00 0.00 H new ATOM 0 HA ASP A 155 -1.862 -3.755 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -0.053 -4.847 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 155 0.903 -3.380 -5.527 1.00 0.00 H new ATOM 81 N ASP A 156 -0.214 -0.917 -4.586 1.00 0.00 N ATOM 82 CA ASP A 156 0.264 0.309 -3.935 1.00 0.00 C ATOM 83 C ASP A 156 -0.891 1.174 -3.474 1.00 0.00 C ATOM 84 O ASP A 156 -0.861 1.757 -2.386 1.00 0.00 O ATOM 85 CB ASP A 156 1.162 1.093 -4.909 1.00 0.00 C ATOM 86 CG ASP A 156 1.914 2.254 -4.272 1.00 0.00 C ATOM 87 OD1 ASP A 156 1.404 3.395 -4.261 1.00 0.00 O ATOM 88 OD2 ASP A 156 3.075 2.047 -3.827 1.00 0.00 O ATOM 0 H ASP A 156 -0.074 -0.923 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 156 0.841 0.029 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 156 1.884 0.407 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 156 0.547 1.477 -5.723 1.00 0.00 H new ATOM 93 N ILE A 157 -1.914 1.226 -4.285 1.00 0.00 N ATOM 94 CA ILE A 157 -3.102 2.026 -3.993 1.00 0.00 C ATOM 95 C ILE A 157 -3.926 1.362 -2.906 1.00 0.00 C ATOM 96 O ILE A 157 -4.088 1.902 -1.816 1.00 0.00 O ATOM 97 CB ILE A 157 -3.994 2.212 -5.253 1.00 0.00 C ATOM 98 CG1 ILE A 157 -3.212 2.876 -6.402 1.00 0.00 C ATOM 99 CG2 ILE A 157 -5.263 3.017 -4.926 1.00 0.00 C ATOM 100 CD1 ILE A 157 -2.678 4.269 -6.094 1.00 0.00 C ATOM 0 H ILE A 157 -1.960 0.720 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 157 -2.758 3.005 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 157 -4.299 1.219 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -2.374 2.233 -6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -3.861 2.936 -7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.865 3.129 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.842 2.491 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -4.983 4.002 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -2.143 4.654 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.509 4.933 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.000 4.219 -5.242 1.00 0.00 H new ATOM 112 N ASP A 158 -4.410 0.187 -3.193 1.00 0.00 N ATOM 113 CA ASP A 158 -5.258 -0.526 -2.278 1.00 0.00 C ATOM 114 C ASP A 158 -4.938 -1.982 -2.371 1.00 0.00 C ATOM 115 O ASP A 158 -4.897 -2.534 -3.457 1.00 0.00 O ATOM 116 CB ASP A 158 -6.725 -0.304 -2.636 1.00 0.00 C ATOM 117 CG ASP A 158 -7.677 -0.947 -1.655 1.00 0.00 C ATOM 118 OD1 ASP A 158 -7.864 -2.173 -1.705 1.00 0.00 O ATOM 119 OD2 ASP A 158 -8.263 -0.220 -0.816 1.00 0.00 O ATOM 0 H ASP A 158 -4.228 -0.305 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 158 -5.088 -0.164 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -6.925 0.767 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -6.914 -0.703 -3.632 1.00 0.00 H new ATOM 124 N LEU A 159 -4.644 -2.571 -1.264 1.00 0.00 N ATOM 125 CA LEU A 159 -4.331 -3.985 -1.209 1.00 0.00 C ATOM 126 C LEU A 159 -5.429 -4.739 -0.409 1.00 0.00 C ATOM 127 O LEU A 159 -5.385 -5.953 -0.221 1.00 0.00 O ATOM 128 CB LEU A 159 -2.891 -4.142 -0.617 1.00 0.00 C ATOM 129 CG LEU A 159 -2.186 -5.529 -0.653 1.00 0.00 C ATOM 130 CD1 LEU A 159 -2.548 -6.405 0.536 1.00 0.00 C ATOM 131 CD2 LEU A 159 -2.487 -6.257 -1.957 1.00 0.00 C ATOM 0 H LEU A 159 -4.610 -2.098 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 159 -4.328 -4.437 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -2.246 -3.436 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -2.932 -3.825 0.425 1.00 0.00 H new ATOM 0 HG LEU A 159 -1.116 -5.333 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -2.027 -7.359 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -2.253 -5.906 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -3.624 -6.579 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -1.983 -7.224 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -3.563 -6.408 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.131 -5.661 -2.797 1.00 0.00 H new ATOM 143 N PHE A 160 -6.440 -4.022 0.011 1.00 0.00 N ATOM 144 CA PHE A 160 -7.462 -4.621 0.840 1.00 0.00 C ATOM 145 C PHE A 160 -8.579 -5.197 -0.012 1.00 0.00 C ATOM 146 O PHE A 160 -9.031 -6.302 0.225 1.00 0.00 O ATOM 147 CB PHE A 160 -8.026 -3.608 1.847 1.00 0.00 C ATOM 148 CG PHE A 160 -8.926 -4.226 2.892 1.00 0.00 C ATOM 149 CD1 PHE A 160 -8.386 -4.772 4.049 1.00 0.00 C ATOM 150 CD2 PHE A 160 -10.302 -4.268 2.721 1.00 0.00 C ATOM 151 CE1 PHE A 160 -9.197 -5.344 5.008 1.00 0.00 C ATOM 152 CE2 PHE A 160 -11.116 -4.838 3.678 1.00 0.00 C ATOM 153 CZ PHE A 160 -10.563 -5.377 4.821 1.00 0.00 C ATOM 0 H PHE A 160 -6.580 -3.034 -0.202 1.00 0.00 H new ATOM 0 HA PHE A 160 -6.999 -5.433 1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -7.197 -3.105 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -8.584 -2.844 1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -7.317 -4.749 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -10.741 -3.849 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -8.763 -5.765 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -12.186 -4.862 3.532 1.00 0.00 H new ATOM 0 HZ PHE A 160 -11.200 -5.825 5.570 1.00 0.00 H new ATOM 163 N GLY A 161 -9.005 -4.464 -0.992 1.00 0.00 N ATOM 164 CA GLY A 161 -10.097 -4.908 -1.800 1.00 0.00 C ATOM 165 C GLY A 161 -11.403 -4.695 -1.078 1.00 0.00 C ATOM 166 O GLY A 161 -11.638 -3.617 -0.514 1.00 0.00 O ATOM 0 H GLY A 161 -8.615 -3.558 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -10.103 -4.365 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -9.975 -5.964 -2.040 1.00 0.00 H new ATOM 170 N SER A 162 -12.230 -5.703 -1.042 1.00 0.00 N ATOM 171 CA SER A 162 -13.506 -5.580 -0.388 1.00 0.00 C ATOM 172 C SER A 162 -13.465 -6.206 1.002 1.00 0.00 C ATOM 173 O SER A 162 -13.886 -5.594 1.983 1.00 0.00 O ATOM 174 CB SER A 162 -14.581 -6.224 -1.234 1.00 0.00 C ATOM 175 OG SER A 162 -14.558 -5.698 -2.553 1.00 0.00 O ATOM 0 H SER A 162 -12.046 -6.617 -1.456 1.00 0.00 H new ATOM 0 HA SER A 162 -13.739 -4.522 -0.270 1.00 0.00 H new ATOM 0 HB2 SER A 162 -14.431 -7.303 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 162 -15.559 -6.051 -0.784 1.00 0.00 H new ATOM 0 HG SER A 162 -15.258 -6.126 -3.088 1.00 0.00 H new ATOM 181 N ASP A 163 -12.967 -7.421 1.086 1.00 0.00 N ATOM 182 CA ASP A 163 -12.875 -8.109 2.379 1.00 0.00 C ATOM 183 C ASP A 163 -11.460 -8.575 2.586 1.00 0.00 C ATOM 184 O ASP A 163 -11.083 -8.993 3.669 1.00 0.00 O ATOM 185 CB ASP A 163 -13.811 -9.324 2.427 1.00 0.00 C ATOM 186 CG ASP A 163 -13.932 -9.955 3.807 1.00 0.00 C ATOM 187 OD1 ASP A 163 -14.414 -9.289 4.758 1.00 0.00 O ATOM 188 OD2 ASP A 163 -13.547 -11.132 3.964 1.00 0.00 O ATOM 0 H ASP A 163 -12.620 -7.957 0.291 1.00 0.00 H new ATOM 0 HA ASP A 163 -13.170 -7.412 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -14.802 -9.021 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -13.451 -10.076 1.725 1.00 0.00 H new ATOM 193 N ASN A 164 -10.685 -8.528 1.503 1.00 0.00 N ATOM 194 CA ASN A 164 -9.267 -8.947 1.461 1.00 0.00 C ATOM 195 C ASN A 164 -9.126 -10.429 1.306 1.00 0.00 C ATOM 196 O ASN A 164 -8.245 -10.905 0.613 1.00 0.00 O ATOM 197 CB ASN A 164 -8.404 -8.376 2.626 1.00 0.00 C ATOM 198 CG ASN A 164 -7.000 -8.972 2.695 1.00 0.00 C ATOM 199 OD1 ASN A 164 -6.767 -9.947 3.415 1.00 0.00 O ATOM 200 ND2 ASN A 164 -6.075 -8.421 1.946 1.00 0.00 N ATOM 0 H ASN A 164 -11.026 -8.190 0.603 1.00 0.00 H new ATOM 0 HA ASN A 164 -8.852 -8.492 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -8.326 -7.295 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -8.915 -8.561 3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -5.127 -8.798 1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -6.304 -7.616 1.363 1.00 0.00 H new ATOM 207 N GLU A 165 -10.027 -11.160 1.902 1.00 0.00 N ATOM 208 CA GLU A 165 -9.994 -12.579 1.799 1.00 0.00 C ATOM 209 C GLU A 165 -10.673 -13.013 0.532 1.00 0.00 C ATOM 210 O GLU A 165 -10.453 -14.105 0.040 1.00 0.00 O ATOM 211 CB GLU A 165 -10.550 -13.243 3.040 1.00 0.00 C ATOM 212 CG GLU A 165 -9.732 -12.911 4.274 1.00 0.00 C ATOM 213 CD GLU A 165 -10.170 -13.659 5.485 1.00 0.00 C ATOM 214 OE1 GLU A 165 -9.693 -14.784 5.709 1.00 0.00 O ATOM 215 OE2 GLU A 165 -10.982 -13.144 6.250 1.00 0.00 O ATOM 0 H GLU A 165 -10.793 -10.788 2.464 1.00 0.00 H new ATOM 0 HA GLU A 165 -8.957 -12.910 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -11.581 -12.924 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -10.568 -14.323 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -8.683 -13.132 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -9.801 -11.841 4.471 1.00 0.00 H new ATOM 222 N GLU A 166 -11.496 -12.138 -0.009 1.00 0.00 N ATOM 223 CA GLU A 166 -12.097 -12.399 -1.268 1.00 0.00 C ATOM 224 C GLU A 166 -11.133 -12.076 -2.410 1.00 0.00 C ATOM 225 O GLU A 166 -10.977 -12.851 -3.349 1.00 0.00 O ATOM 226 CB GLU A 166 -13.505 -11.771 -1.388 1.00 0.00 C ATOM 227 CG GLU A 166 -13.698 -10.295 -1.007 1.00 0.00 C ATOM 228 CD GLU A 166 -12.881 -9.292 -1.739 1.00 0.00 C ATOM 229 OE1 GLU A 166 -13.184 -8.976 -2.899 1.00 0.00 O ATOM 230 OE2 GLU A 166 -11.932 -8.755 -1.120 1.00 0.00 O ATOM 0 H GLU A 166 -11.753 -11.247 0.415 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.288 -13.469 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.831 -11.889 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.182 -12.361 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.749 -10.044 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -13.487 -10.191 0.057 1.00 0.00 H new ATOM 237 N GLU A 167 -10.442 -10.958 -2.280 1.00 0.00 N ATOM 238 CA GLU A 167 -9.410 -10.549 -3.232 1.00 0.00 C ATOM 239 C GLU A 167 -8.055 -11.216 -2.888 1.00 0.00 C ATOM 240 O GLU A 167 -6.983 -10.802 -3.382 1.00 0.00 O ATOM 241 CB GLU A 167 -9.251 -9.059 -3.199 1.00 0.00 C ATOM 242 CG GLU A 167 -8.714 -8.515 -4.504 1.00 0.00 C ATOM 243 CD GLU A 167 -9.722 -8.621 -5.617 1.00 0.00 C ATOM 244 OE1 GLU A 167 -10.626 -7.769 -5.713 1.00 0.00 O ATOM 245 OE2 GLU A 167 -9.629 -9.564 -6.417 1.00 0.00 O ATOM 0 H GLU A 167 -10.577 -10.302 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.717 -10.865 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.214 -8.597 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.577 -8.785 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.429 -7.471 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.811 -9.060 -4.780 1.00 0.00 H new ATOM 252 N ASP A 168 -8.122 -12.257 -2.063 1.00 0.00 N ATOM 253 CA ASP A 168 -6.947 -13.054 -1.585 1.00 0.00 C ATOM 254 C ASP A 168 -6.026 -13.440 -2.726 1.00 0.00 C ATOM 255 O ASP A 168 -4.801 -13.514 -2.555 1.00 0.00 O ATOM 256 CB ASP A 168 -7.411 -14.314 -0.848 1.00 0.00 C ATOM 257 CG ASP A 168 -6.264 -15.174 -0.343 1.00 0.00 C ATOM 258 OD1 ASP A 168 -5.663 -14.837 0.694 1.00 0.00 O ATOM 259 OD2 ASP A 168 -5.977 -16.227 -0.951 1.00 0.00 O ATOM 0 H ASP A 168 -9.008 -12.595 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.388 -12.419 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.036 -14.023 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.034 -14.908 -1.516 1.00 0.00 H new ATOM 264 N LYS A 169 -6.628 -13.665 -3.892 1.00 0.00 N ATOM 265 CA LYS A 169 -5.912 -13.938 -5.127 1.00 0.00 C ATOM 266 C LYS A 169 -4.746 -12.951 -5.347 1.00 0.00 C ATOM 267 O LYS A 169 -3.596 -13.356 -5.447 1.00 0.00 O ATOM 268 CB LYS A 169 -6.875 -13.867 -6.328 1.00 0.00 C ATOM 269 CG LYS A 169 -7.840 -12.672 -6.289 1.00 0.00 C ATOM 270 CD LYS A 169 -8.347 -12.257 -7.646 1.00 0.00 C ATOM 271 CE LYS A 169 -7.212 -11.881 -8.586 1.00 0.00 C ATOM 272 NZ LYS A 169 -7.703 -11.392 -9.881 1.00 0.00 N ATOM 0 H LYS A 169 -7.642 -13.662 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.496 -14.942 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.290 -13.818 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.456 -14.788 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.690 -12.924 -5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.336 -11.824 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.925 -13.072 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.024 -11.409 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -6.596 -11.113 -8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -6.572 -12.749 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -7.130 -10.579 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -7.630 -12.151 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.697 -11.100 -9.788 1.00 0.00 H new ATOM 286 N GLU A 170 -5.035 -11.660 -5.358 1.00 0.00 N ATOM 287 CA GLU A 170 -4.026 -10.689 -5.611 1.00 0.00 C ATOM 288 C GLU A 170 -3.354 -10.224 -4.387 1.00 0.00 C ATOM 289 O GLU A 170 -2.226 -9.803 -4.458 1.00 0.00 O ATOM 290 CB GLU A 170 -4.467 -9.574 -6.524 1.00 0.00 C ATOM 291 CG GLU A 170 -4.072 -9.855 -7.956 1.00 0.00 C ATOM 292 CD GLU A 170 -4.747 -8.974 -8.969 1.00 0.00 C ATOM 293 OE1 GLU A 170 -4.386 -7.788 -9.081 1.00 0.00 O ATOM 294 OE2 GLU A 170 -5.639 -9.454 -9.689 1.00 0.00 O ATOM 0 H GLU A 170 -5.966 -11.277 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 170 -3.259 -11.215 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.548 -9.453 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -4.021 -8.635 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.993 -9.738 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -4.302 -10.895 -8.186 1.00 0.00 H new ATOM 301 N ALA A 171 -4.021 -10.341 -3.252 1.00 0.00 N ATOM 302 CA ALA A 171 -3.406 -10.001 -1.989 1.00 0.00 C ATOM 303 C ALA A 171 -2.118 -10.805 -1.842 1.00 0.00 C ATOM 304 O ALA A 171 -1.090 -10.273 -1.481 1.00 0.00 O ATOM 305 CB ALA A 171 -4.358 -10.272 -0.837 1.00 0.00 C ATOM 0 H ALA A 171 -4.985 -10.668 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.171 -8.937 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -3.875 -10.009 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.260 -9.673 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.624 -11.329 -0.825 1.00 0.00 H new ATOM 311 N ALA A 172 -2.195 -12.073 -2.230 1.00 0.00 N ATOM 312 CA ALA A 172 -1.069 -12.963 -2.233 1.00 0.00 C ATOM 313 C ALA A 172 -0.166 -12.726 -3.454 1.00 0.00 C ATOM 314 O ALA A 172 1.017 -12.514 -3.278 1.00 0.00 O ATOM 315 CB ALA A 172 -1.533 -14.405 -2.175 1.00 0.00 C ATOM 0 H ALA A 172 -3.060 -12.506 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.475 -12.754 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.667 -15.066 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.109 -14.566 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.158 -14.621 -3.042 1.00 0.00 H new ATOM 321 N GLN A 173 -0.736 -12.738 -4.694 1.00 0.00 N ATOM 322 CA GLN A 173 0.056 -12.548 -5.928 1.00 0.00 C ATOM 323 C GLN A 173 0.887 -11.282 -5.924 1.00 0.00 C ATOM 324 O GLN A 173 2.093 -11.325 -6.187 1.00 0.00 O ATOM 325 CB GLN A 173 -0.801 -12.541 -7.158 1.00 0.00 C ATOM 326 CG GLN A 173 -1.339 -13.883 -7.549 1.00 0.00 C ATOM 327 CD GLN A 173 -1.972 -13.843 -8.908 1.00 0.00 C ATOM 328 OE1 GLN A 173 -2.512 -12.811 -9.339 1.00 0.00 O ATOM 329 NE2 GLN A 173 -1.903 -14.927 -9.603 1.00 0.00 N ATOM 0 H GLN A 173 -1.733 -12.877 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 173 0.729 -13.406 -5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.638 -11.861 -6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -0.219 -12.141 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.532 -14.616 -7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -2.073 -14.211 -6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -1.451 -15.754 -9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.300 -14.957 -10.542 1.00 0.00 H new ATOM 338 N LEU A 174 0.241 -10.161 -5.660 1.00 0.00 N ATOM 339 CA LEU A 174 0.928 -8.878 -5.583 1.00 0.00 C ATOM 340 C LEU A 174 2.008 -8.937 -4.519 1.00 0.00 C ATOM 341 O LEU A 174 3.162 -8.603 -4.780 1.00 0.00 O ATOM 342 CB LEU A 174 -0.072 -7.784 -5.254 1.00 0.00 C ATOM 343 CG LEU A 174 -1.211 -7.621 -6.260 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.268 -6.658 -5.742 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.688 -7.155 -7.601 1.00 0.00 C ATOM 0 H LEU A 174 -0.764 -10.110 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 174 1.393 -8.657 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.501 -7.989 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.462 -6.837 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.675 -8.599 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.065 -6.562 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.681 -7.039 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.816 -5.682 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -1.519 -7.047 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -0.187 -6.194 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.019 -7.887 -7.990 1.00 0.00 H new ATOM 357 N ARG A 175 1.620 -9.411 -3.345 1.00 0.00 N ATOM 358 CA ARG A 175 2.524 -9.576 -2.202 1.00 0.00 C ATOM 359 C ARG A 175 3.781 -10.371 -2.573 1.00 0.00 C ATOM 360 O ARG A 175 4.899 -9.838 -2.521 1.00 0.00 O ATOM 361 CB ARG A 175 1.778 -10.294 -1.080 1.00 0.00 C ATOM 362 CG ARG A 175 2.607 -10.686 0.119 1.00 0.00 C ATOM 363 CD ARG A 175 1.799 -11.583 1.025 1.00 0.00 C ATOM 364 NE ARG A 175 2.567 -12.028 2.197 1.00 0.00 N ATOM 365 CZ ARG A 175 2.169 -12.972 3.075 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.987 -13.574 2.935 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.962 -13.305 4.094 1.00 0.00 N ATOM 0 H ARG A 175 0.660 -9.697 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 175 2.846 -8.586 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.966 -9.651 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.322 -11.194 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.512 -11.200 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.923 -9.795 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.907 -11.052 1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.460 -12.453 0.463 1.00 0.00 H new ATOM 0 HE ARG A 175 3.473 -11.588 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.375 -13.322 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.695 -14.286 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.866 -12.847 4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 175 2.665 -14.018 4.760 1.00 0.00 H new ATOM 381 N GLU A 176 3.581 -11.613 -2.996 1.00 0.00 N ATOM 382 CA GLU A 176 4.672 -12.528 -3.283 1.00 0.00 C ATOM 383 C GLU A 176 5.597 -11.998 -4.376 1.00 0.00 C ATOM 384 O GLU A 176 6.812 -11.949 -4.199 1.00 0.00 O ATOM 385 CB GLU A 176 4.144 -13.937 -3.632 1.00 0.00 C ATOM 386 CG GLU A 176 3.209 -13.981 -4.835 1.00 0.00 C ATOM 387 CD GLU A 176 2.867 -15.364 -5.304 1.00 0.00 C ATOM 388 OE1 GLU A 176 1.929 -15.986 -4.766 1.00 0.00 O ATOM 389 OE2 GLU A 176 3.526 -15.858 -6.254 1.00 0.00 O ATOM 0 H GLU A 176 2.655 -12.012 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 176 5.267 -12.607 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 176 4.994 -14.592 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.620 -14.340 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.287 -13.458 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.670 -13.435 -5.658 1.00 0.00 H new ATOM 396 N GLU A 177 5.026 -11.540 -5.466 1.00 0.00 N ATOM 397 CA GLU A 177 5.821 -11.089 -6.580 1.00 0.00 C ATOM 398 C GLU A 177 6.576 -9.800 -6.286 1.00 0.00 C ATOM 399 O GLU A 177 7.729 -9.649 -6.709 1.00 0.00 O ATOM 400 CB GLU A 177 5.015 -11.034 -7.875 1.00 0.00 C ATOM 401 CG GLU A 177 4.602 -12.423 -8.359 1.00 0.00 C ATOM 402 CD GLU A 177 3.896 -12.418 -9.686 1.00 0.00 C ATOM 403 OE1 GLU A 177 4.487 -11.946 -10.687 1.00 0.00 O ATOM 404 OE2 GLU A 177 2.764 -12.942 -9.774 1.00 0.00 O ATOM 0 H GLU A 177 4.018 -11.471 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 177 6.593 -11.842 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.124 -10.425 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.606 -10.543 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.490 -13.051 -8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.951 -12.879 -7.613 1.00 0.00 H new ATOM 411 N ARG A 178 5.977 -8.895 -5.520 1.00 0.00 N ATOM 412 CA ARG A 178 6.667 -7.660 -5.181 1.00 0.00 C ATOM 413 C ARG A 178 7.773 -7.896 -4.166 1.00 0.00 C ATOM 414 O ARG A 178 8.853 -7.282 -4.262 1.00 0.00 O ATOM 415 CB ARG A 178 5.739 -6.554 -4.680 1.00 0.00 C ATOM 416 CG ARG A 178 4.711 -6.073 -5.688 1.00 0.00 C ATOM 417 CD ARG A 178 4.057 -4.787 -5.213 1.00 0.00 C ATOM 418 NE ARG A 178 5.036 -3.680 -5.143 1.00 0.00 N ATOM 419 CZ ARG A 178 4.909 -2.548 -4.426 1.00 0.00 C ATOM 420 NH1 ARG A 178 3.849 -2.338 -3.656 1.00 0.00 N ATOM 421 NH2 ARG A 178 5.864 -1.628 -4.481 1.00 0.00 N ATOM 0 H ARG A 178 5.039 -8.990 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 178 7.102 -7.315 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.216 -6.913 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.346 -5.704 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.190 -5.909 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 178 3.951 -6.841 -5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.247 -4.517 -5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.612 -4.944 -4.231 1.00 0.00 H new ATOM 0 HE ARG A 178 5.890 -3.785 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 178 3.112 -3.041 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 178 3.771 -1.474 -3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 178 6.687 -1.781 -5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 178 5.775 -0.768 -3.941 1.00 0.00 H new ATOM 435 N LEU A 179 7.542 -8.786 -3.206 1.00 0.00 N ATOM 436 CA LEU A 179 8.556 -9.046 -2.201 1.00 0.00 C ATOM 437 C LEU A 179 9.751 -9.805 -2.772 1.00 0.00 C ATOM 438 O LEU A 179 10.857 -9.691 -2.254 1.00 0.00 O ATOM 439 CB LEU A 179 7.985 -9.660 -0.882 1.00 0.00 C ATOM 440 CG LEU A 179 7.251 -11.017 -0.926 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.207 -12.177 -1.127 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.432 -11.216 0.341 1.00 0.00 C ATOM 0 H LEU A 179 6.682 -9.326 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 179 8.941 -8.073 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 179 8.816 -9.761 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.297 -8.931 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 179 6.581 -10.998 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.646 -13.111 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.741 -12.050 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 179 8.923 -12.205 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.920 -12.177 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.092 -11.197 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.696 -10.417 0.428 1.00 0.00 H new ATOM 454 N ARG A 180 9.527 -10.550 -3.854 1.00 0.00 N ATOM 455 CA ARG A 180 10.614 -11.246 -4.545 1.00 0.00 C ATOM 456 C ARG A 180 11.544 -10.251 -5.198 1.00 0.00 C ATOM 457 O ARG A 180 12.752 -10.409 -5.152 1.00 0.00 O ATOM 458 CB ARG A 180 10.083 -12.229 -5.583 1.00 0.00 C ATOM 459 CG ARG A 180 9.414 -13.430 -4.977 1.00 0.00 C ATOM 460 CD ARG A 180 8.759 -14.307 -6.022 1.00 0.00 C ATOM 461 NE ARG A 180 8.119 -15.456 -5.394 1.00 0.00 N ATOM 462 CZ ARG A 180 6.856 -15.828 -5.578 1.00 0.00 C ATOM 463 NH1 ARG A 180 6.108 -15.238 -6.505 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.352 -16.815 -4.857 1.00 0.00 N ATOM 0 H ARG A 180 8.606 -10.687 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 180 11.167 -11.816 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.373 -11.715 -6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.907 -12.561 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 180 10.150 -14.014 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.663 -13.102 -4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.020 -13.730 -6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.505 -14.646 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 180 8.686 -16.021 -4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 180 6.502 -14.494 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 180 5.140 -15.529 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 180 6.932 -17.287 -4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 180 5.384 -17.104 -4.994 1.00 0.00 H new ATOM 478 N GLN A 181 10.969 -9.199 -5.767 1.00 0.00 N ATOM 479 CA GLN A 181 11.750 -8.150 -6.419 1.00 0.00 C ATOM 480 C GLN A 181 12.647 -7.488 -5.388 1.00 0.00 C ATOM 481 O GLN A 181 13.845 -7.303 -5.601 1.00 0.00 O ATOM 482 CB GLN A 181 10.831 -7.082 -7.009 1.00 0.00 C ATOM 483 CG GLN A 181 9.750 -7.603 -7.922 1.00 0.00 C ATOM 484 CD GLN A 181 10.276 -8.317 -9.144 1.00 0.00 C ATOM 485 OE1 GLN A 181 11.365 -8.016 -9.652 1.00 0.00 O ATOM 486 NE2 GLN A 181 9.519 -9.257 -9.618 1.00 0.00 N ATOM 0 H GLN A 181 9.961 -9.047 -5.791 1.00 0.00 H new ATOM 0 HA GLN A 181 12.339 -8.601 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 181 10.362 -6.536 -6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.439 -6.367 -7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.111 -8.285 -7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.124 -6.770 -8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 181 8.629 -9.471 -9.167 1.00 0.00 H new ATOM 0 HE22 GLN A 181 9.813 -9.782 -10.442 1.00 0.00 H new ATOM 495 N TYR A 182 12.035 -7.185 -4.261 1.00 0.00 N ATOM 496 CA TYR A 182 12.669 -6.549 -3.120 1.00 0.00 C ATOM 497 C TYR A 182 13.815 -7.435 -2.614 1.00 0.00 C ATOM 498 O TYR A 182 14.936 -6.975 -2.444 1.00 0.00 O ATOM 499 CB TYR A 182 11.584 -6.376 -2.036 1.00 0.00 C ATOM 500 CG TYR A 182 11.942 -5.536 -0.830 1.00 0.00 C ATOM 501 CD1 TYR A 182 12.500 -6.105 0.305 1.00 0.00 C ATOM 502 CD2 TYR A 182 11.675 -4.175 -0.815 1.00 0.00 C ATOM 503 CE1 TYR A 182 12.783 -5.343 1.420 1.00 0.00 C ATOM 504 CE2 TYR A 182 11.961 -3.404 0.291 1.00 0.00 C ATOM 505 CZ TYR A 182 12.514 -3.994 1.407 1.00 0.00 C ATOM 506 OH TYR A 182 12.793 -3.227 2.521 1.00 0.00 O ATOM 0 H TYR A 182 11.046 -7.382 -4.107 1.00 0.00 H new ATOM 0 HA TYR A 182 13.091 -5.579 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.704 -5.936 -2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.296 -7.367 -1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 182 12.717 -7.163 0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 182 11.235 -3.711 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 182 13.213 -5.803 2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 182 11.753 -2.344 0.283 1.00 0.00 H new ATOM 0 HH TYR A 182 12.545 -2.295 2.347 1.00 0.00 H new ATOM 516 N ALA A 183 13.519 -8.708 -2.431 1.00 0.00 N ATOM 517 CA ALA A 183 14.487 -9.664 -1.933 1.00 0.00 C ATOM 518 C ALA A 183 15.641 -9.873 -2.914 1.00 0.00 C ATOM 519 O ALA A 183 16.805 -9.604 -2.587 1.00 0.00 O ATOM 520 CB ALA A 183 13.801 -10.995 -1.641 1.00 0.00 C ATOM 0 H ALA A 183 12.600 -9.107 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 183 14.908 -9.259 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 183 14.535 -11.708 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.024 -10.847 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.353 -11.382 -2.556 1.00 0.00 H new ATOM 526 N GLU A 184 15.309 -10.280 -4.120 1.00 0.00 N ATOM 527 CA GLU A 184 16.300 -10.646 -5.104 1.00 0.00 C ATOM 528 C GLU A 184 17.162 -9.496 -5.563 1.00 0.00 C ATOM 529 O GLU A 184 18.380 -9.575 -5.492 1.00 0.00 O ATOM 530 CB GLU A 184 15.674 -11.322 -6.290 1.00 0.00 C ATOM 531 CG GLU A 184 15.006 -12.622 -5.949 1.00 0.00 C ATOM 532 CD GLU A 184 14.460 -13.283 -7.161 1.00 0.00 C ATOM 533 OE1 GLU A 184 15.249 -13.847 -7.937 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.250 -13.226 -7.402 1.00 0.00 O ATOM 0 H GLU A 184 14.346 -10.366 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 184 16.959 -11.347 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.940 -10.651 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 184 16.441 -11.502 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.722 -13.284 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 184 14.201 -12.444 -5.236 1.00 0.00 H new ATOM 541 N LYS A 185 16.548 -8.412 -5.994 1.00 0.00 N ATOM 542 CA LYS A 185 17.313 -7.300 -6.549 1.00 0.00 C ATOM 543 C LYS A 185 18.192 -6.645 -5.519 1.00 0.00 C ATOM 544 O LYS A 185 19.291 -6.217 -5.828 1.00 0.00 O ATOM 545 CB LYS A 185 16.442 -6.262 -7.288 1.00 0.00 C ATOM 546 CG LYS A 185 15.978 -6.687 -8.688 1.00 0.00 C ATOM 547 CD LYS A 185 15.028 -7.872 -8.666 1.00 0.00 C ATOM 548 CE LYS A 185 14.687 -8.328 -10.070 1.00 0.00 C ATOM 549 NZ LYS A 185 13.709 -9.425 -10.069 1.00 0.00 N ATOM 0 H LYS A 185 15.538 -8.272 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 185 17.962 -7.745 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 185 15.563 -6.047 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 185 17.005 -5.333 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.486 -5.844 -9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 185 16.849 -6.939 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 185 15.482 -8.695 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.114 -7.599 -8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 185 14.288 -7.487 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 185 15.596 -8.653 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 13.617 -9.809 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.031 -10.176 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.786 -9.067 -9.750 1.00 0.00 H new ATOM 563 N LYS A 186 17.756 -6.643 -4.286 1.00 0.00 N ATOM 564 CA LYS A 186 18.535 -6.024 -3.238 1.00 0.00 C ATOM 565 C LYS A 186 19.621 -6.966 -2.717 1.00 0.00 C ATOM 566 O LYS A 186 20.490 -6.567 -1.932 1.00 0.00 O ATOM 567 CB LYS A 186 17.645 -5.510 -2.102 1.00 0.00 C ATOM 568 CG LYS A 186 16.878 -4.201 -2.395 1.00 0.00 C ATOM 569 CD LYS A 186 16.019 -4.258 -3.663 1.00 0.00 C ATOM 570 CE LYS A 186 15.228 -2.982 -3.848 1.00 0.00 C ATOM 571 NZ LYS A 186 14.554 -2.909 -5.161 1.00 0.00 N ATOM 0 H LYS A 186 16.875 -7.058 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 186 19.035 -5.159 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 186 16.921 -6.286 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 186 18.266 -5.357 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 186 16.238 -3.968 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 186 17.594 -3.385 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 186 16.658 -4.421 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.337 -5.106 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.482 -2.905 -3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.896 -2.127 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 14.028 -2.015 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 15.265 -2.954 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 13.894 -3.707 -5.257 1.00 0.00 H new ATOM 585 N ALA A 187 19.557 -8.217 -3.130 1.00 0.00 N ATOM 586 CA ALA A 187 20.574 -9.183 -2.786 1.00 0.00 C ATOM 587 C ALA A 187 21.591 -9.293 -3.917 1.00 0.00 C ATOM 588 O ALA A 187 22.790 -9.453 -3.681 1.00 0.00 O ATOM 589 CB ALA A 187 19.953 -10.541 -2.494 1.00 0.00 C ATOM 0 H ALA A 187 18.803 -8.587 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 187 21.084 -8.844 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.738 -11.252 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.258 -10.451 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.418 -10.894 -3.376 1.00 0.00 H new ATOM 595 N LYS A 188 21.103 -9.221 -5.143 1.00 0.00 N ATOM 596 CA LYS A 188 21.948 -9.286 -6.334 1.00 0.00 C ATOM 597 C LYS A 188 22.737 -8.002 -6.495 1.00 0.00 C ATOM 598 O LYS A 188 23.955 -8.019 -6.689 1.00 0.00 O ATOM 599 CB LYS A 188 21.093 -9.477 -7.602 1.00 0.00 C ATOM 600 CG LYS A 188 20.304 -10.775 -7.691 1.00 0.00 C ATOM 601 CD LYS A 188 21.196 -11.990 -7.882 1.00 0.00 C ATOM 602 CE LYS A 188 20.347 -13.241 -7.981 1.00 0.00 C ATOM 603 NZ LYS A 188 21.133 -14.460 -8.242 1.00 0.00 N ATOM 0 H LYS A 188 20.109 -9.116 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 188 22.623 -10.132 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.392 -8.645 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 188 21.749 -9.415 -8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 188 19.715 -10.901 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 188 19.600 -10.712 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.795 -11.874 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 188 21.891 -12.077 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 188 19.790 -13.368 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 188 19.614 -13.112 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 20.495 -15.279 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 21.645 -14.357 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 21.815 -14.605 -7.470 1.00 0.00 H new ATOM 617 N LYS A 189 22.049 -6.902 -6.393 1.00 0.00 N ATOM 618 CA LYS A 189 22.625 -5.613 -6.656 1.00 0.00 C ATOM 619 C LYS A 189 22.956 -4.937 -5.342 1.00 0.00 C ATOM 620 O LYS A 189 22.398 -5.298 -4.311 1.00 0.00 O ATOM 621 CB LYS A 189 21.605 -4.753 -7.423 1.00 0.00 C ATOM 622 CG LYS A 189 20.944 -5.457 -8.602 1.00 0.00 C ATOM 623 CD LYS A 189 21.954 -5.924 -9.636 1.00 0.00 C ATOM 624 CE LYS A 189 21.274 -6.681 -10.760 1.00 0.00 C ATOM 625 NZ LYS A 189 22.250 -7.237 -11.714 1.00 0.00 N ATOM 0 H LYS A 189 21.066 -6.873 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 189 23.532 -5.729 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 189 20.830 -4.427 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 189 22.106 -3.856 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 189 20.377 -6.314 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 189 20.232 -4.780 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 189 22.487 -5.064 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 189 22.697 -6.564 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 189 20.673 -7.489 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 189 20.591 -6.014 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 21.747 -7.747 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 22.807 -6.464 -12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 22.886 -7.893 -11.217 1.00 0.00 H new ATOM 639 N PRO A 190 23.859 -3.943 -5.350 1.00 0.00 N ATOM 640 CA PRO A 190 24.185 -3.155 -4.149 1.00 0.00 C ATOM 641 C PRO A 190 23.145 -2.035 -3.907 1.00 0.00 C ATOM 642 O PRO A 190 23.423 -1.016 -3.257 1.00 0.00 O ATOM 643 CB PRO A 190 25.547 -2.559 -4.509 1.00 0.00 C ATOM 644 CG PRO A 190 25.501 -2.387 -5.988 1.00 0.00 C ATOM 645 CD PRO A 190 24.679 -3.526 -6.519 1.00 0.00 C ATOM 0 HA PRO A 190 24.188 -3.747 -3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 190 25.709 -1.607 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 190 26.361 -3.221 -4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 190 25.055 -1.429 -6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 190 26.505 -2.401 -6.413 1.00 0.00 H new ATOM 0 HD2 PRO A 190 24.054 -3.213 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 190 25.308 -4.341 -6.878 1.00 0.00 H new ATOM 653 N ALA A 191 21.952 -2.263 -4.403 1.00 0.00 N ATOM 654 CA ALA A 191 20.876 -1.321 -4.331 1.00 0.00 C ATOM 655 C ALA A 191 19.964 -1.671 -3.186 1.00 0.00 C ATOM 656 O ALA A 191 19.833 -2.842 -2.824 1.00 0.00 O ATOM 657 CB ALA A 191 20.093 -1.324 -5.632 1.00 0.00 C ATOM 0 H ALA A 191 21.703 -3.131 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 191 21.289 -0.326 -4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 191 19.277 -0.604 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 191 20.754 -1.050 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 191 19.686 -2.319 -5.809 1.00 0.00 H new ATOM 663 N LEU A 192 19.373 -0.674 -2.620 1.00 0.00 N ATOM 664 CA LEU A 192 18.438 -0.803 -1.545 1.00 0.00 C ATOM 665 C LEU A 192 17.317 0.155 -1.823 1.00 0.00 C ATOM 666 O LEU A 192 17.560 1.370 -1.756 1.00 0.00 O ATOM 667 CB LEU A 192 19.105 -0.485 -0.185 1.00 0.00 C ATOM 668 CG LEU A 192 20.196 -1.462 0.284 1.00 0.00 C ATOM 669 CD1 LEU A 192 20.884 -0.933 1.527 1.00 0.00 C ATOM 670 CD2 LEU A 192 19.595 -2.835 0.568 1.00 0.00 C ATOM 671 OXT LEU A 192 16.199 -0.280 -2.140 1.00 0.00 O ATOM 0 H LEU A 192 19.532 0.293 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 192 18.068 -1.826 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 192 19.541 0.512 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 192 18.327 -0.449 0.578 1.00 0.00 H new ATOM 0 HG LEU A 192 20.934 -1.558 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 192 21.653 -1.637 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 192 21.343 0.031 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 192 20.151 -0.812 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 192 20.380 -3.515 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 192 18.839 -2.747 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 192 19.136 -3.226 -0.340 1.00 0.00 H new TER 683 LEU A 192