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 182 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 186 LYS NZ :NH3+ 163:sc= -0.0133 (180deg=-0.168) 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=-0.29) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -0.75 K(o=-0.75,f=-1.8!) USER MOD Single : A 181 GLN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 138:sc= 1.11 (180deg=-1.04!) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 6.968 -0.066 9.985 1.00 0.00 N ATOM 2 CA GLY A 149 7.378 -0.696 8.737 1.00 0.00 C ATOM 3 C GLY A 149 6.178 -1.187 7.978 1.00 0.00 C ATOM 4 O GLY A 149 5.061 -1.124 8.501 1.00 0.00 O ATOM 0 HA2 GLY A 149 7.934 0.017 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 149 8.049 -1.529 8.946 1.00 0.00 H new ATOM 10 N PRO A 150 6.356 -1.673 6.739 1.00 0.00 N ATOM 11 CA PRO A 150 5.248 -2.145 5.920 1.00 0.00 C ATOM 12 C PRO A 150 4.634 -3.444 6.447 1.00 0.00 C ATOM 13 O PRO A 150 3.466 -3.474 6.855 1.00 0.00 O ATOM 14 CB PRO A 150 5.877 -2.382 4.534 1.00 0.00 C ATOM 15 CG PRO A 150 7.247 -1.788 4.600 1.00 0.00 C ATOM 16 CD PRO A 150 7.641 -1.791 6.045 1.00 0.00 C ATOM 0 HA PRO A 150 4.431 -1.423 5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 150 5.923 -3.446 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 150 5.284 -1.911 3.750 1.00 0.00 H new ATOM 0 HG2 PRO A 150 7.951 -2.369 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 150 7.250 -0.775 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 150 8.164 -2.707 6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 150 8.306 -0.961 6.283 1.00 0.00 H new ATOM 24 N GLY A 151 5.424 -4.499 6.457 1.00 0.00 N ATOM 25 CA GLY A 151 4.934 -5.794 6.838 1.00 0.00 C ATOM 26 C GLY A 151 4.022 -6.331 5.774 1.00 0.00 C ATOM 27 O GLY A 151 4.364 -6.322 4.588 1.00 0.00 O ATOM 0 H GLY A 151 6.412 -4.477 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 151 5.769 -6.477 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 151 4.400 -5.726 7.786 1.00 0.00 H new ATOM 31 N SER A 152 2.851 -6.728 6.163 1.00 0.00 N ATOM 32 CA SER A 152 1.851 -7.209 5.239 1.00 0.00 C ATOM 33 C SER A 152 0.947 -6.047 4.827 1.00 0.00 C ATOM 34 O SER A 152 -0.222 -6.224 4.549 1.00 0.00 O ATOM 35 CB SER A 152 1.063 -8.338 5.899 1.00 0.00 C ATOM 36 OG SER A 152 1.947 -9.375 6.316 1.00 0.00 O ATOM 0 H SER A 152 2.552 -6.731 7.138 1.00 0.00 H new ATOM 0 HA SER A 152 2.317 -7.606 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 152 0.511 -7.953 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 152 0.328 -8.736 5.199 1.00 0.00 H new ATOM 0 HG SER A 152 1.432 -10.093 6.739 1.00 0.00 H new ATOM 42 N GLU A 153 1.562 -4.880 4.736 1.00 0.00 N ATOM 43 CA GLU A 153 0.946 -3.615 4.346 1.00 0.00 C ATOM 44 C GLU A 153 0.080 -3.769 3.091 1.00 0.00 C ATOM 45 O GLU A 153 -1.098 -3.438 3.099 1.00 0.00 O ATOM 46 CB GLU A 153 2.074 -2.634 4.050 1.00 0.00 C ATOM 47 CG GLU A 153 1.658 -1.258 3.582 1.00 0.00 C ATOM 48 CD GLU A 153 2.838 -0.501 3.041 1.00 0.00 C ATOM 49 OE1 GLU A 153 3.163 -0.674 1.847 1.00 0.00 O ATOM 50 OE2 GLU A 153 3.481 0.265 3.794 1.00 0.00 O ATOM 0 H GLU A 153 2.556 -4.780 4.942 1.00 0.00 H new ATOM 0 HA GLU A 153 0.301 -3.266 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 153 2.675 -2.521 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 153 2.719 -3.074 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 153 0.892 -1.347 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 153 1.214 -0.706 4.410 1.00 0.00 H new ATOM 57 N ASP A 154 0.669 -4.323 2.044 1.00 0.00 N ATOM 58 CA ASP A 154 -0.003 -4.436 0.733 1.00 0.00 C ATOM 59 C ASP A 154 -1.148 -5.451 0.799 1.00 0.00 C ATOM 60 O ASP A 154 -2.194 -5.287 0.181 1.00 0.00 O ATOM 61 CB ASP A 154 1.016 -4.855 -0.334 1.00 0.00 C ATOM 62 CG ASP A 154 0.515 -4.666 -1.745 1.00 0.00 C ATOM 63 OD1 ASP A 154 -0.147 -5.541 -2.286 1.00 0.00 O ATOM 64 OD2 ASP A 154 0.806 -3.604 -2.349 1.00 0.00 O ATOM 0 H ASP A 154 1.614 -4.707 2.064 1.00 0.00 H new ATOM 0 HA ASP A 154 -0.423 -3.466 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 154 1.930 -4.277 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 154 1.277 -5.903 -0.186 1.00 0.00 H new ATOM 69 N ASP A 155 -0.941 -6.453 1.616 1.00 0.00 N ATOM 70 CA ASP A 155 -1.884 -7.555 1.814 1.00 0.00 C ATOM 71 C ASP A 155 -3.085 -7.122 2.645 1.00 0.00 C ATOM 72 O ASP A 155 -4.226 -7.454 2.338 1.00 0.00 O ATOM 73 CB ASP A 155 -1.153 -8.704 2.531 1.00 0.00 C ATOM 74 CG ASP A 155 -2.061 -9.827 3.006 1.00 0.00 C ATOM 75 OD1 ASP A 155 -2.286 -10.797 2.255 1.00 0.00 O ATOM 76 OD2 ASP A 155 -2.525 -9.783 4.167 1.00 0.00 O ATOM 0 H ASP A 155 -0.096 -6.539 2.181 1.00 0.00 H new ATOM 0 HA ASP A 155 -2.252 -7.878 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -0.405 -9.119 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -0.618 -8.298 3.390 1.00 0.00 H new ATOM 81 N ASP A 156 -2.821 -6.371 3.679 1.00 0.00 N ATOM 82 CA ASP A 156 -3.851 -5.986 4.628 1.00 0.00 C ATOM 83 C ASP A 156 -4.617 -4.755 4.206 1.00 0.00 C ATOM 84 O ASP A 156 -5.854 -4.725 4.253 1.00 0.00 O ATOM 85 CB ASP A 156 -3.256 -5.783 6.020 1.00 0.00 C ATOM 86 CG ASP A 156 -4.290 -5.381 7.046 1.00 0.00 C ATOM 87 OD1 ASP A 156 -5.020 -6.259 7.552 1.00 0.00 O ATOM 88 OD2 ASP A 156 -4.368 -4.184 7.401 1.00 0.00 O ATOM 0 H ASP A 156 -1.893 -6.006 3.894 1.00 0.00 H new ATOM 0 HA ASP A 156 -4.564 -6.810 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -2.772 -6.705 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -2.482 -5.017 5.971 1.00 0.00 H new ATOM 93 N ILE A 157 -3.907 -3.772 3.772 1.00 0.00 N ATOM 94 CA ILE A 157 -4.501 -2.487 3.474 1.00 0.00 C ATOM 95 C ILE A 157 -5.222 -2.483 2.134 1.00 0.00 C ATOM 96 O ILE A 157 -4.599 -2.569 1.073 1.00 0.00 O ATOM 97 CB ILE A 157 -3.454 -1.329 3.524 1.00 0.00 C ATOM 98 CG1 ILE A 157 -2.745 -1.282 4.895 1.00 0.00 C ATOM 99 CG2 ILE A 157 -4.106 0.021 3.214 1.00 0.00 C ATOM 100 CD1 ILE A 157 -3.675 -1.090 6.081 1.00 0.00 C ATOM 0 H ILE A 157 -2.901 -3.821 3.610 1.00 0.00 H new ATOM 0 HA ILE A 157 -5.240 -2.311 4.256 1.00 0.00 H new ATOM 0 HB ILE A 157 -2.706 -1.530 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -2.188 -2.209 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -2.017 -0.471 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -3.352 0.807 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -4.545 -0.007 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -4.885 0.226 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.091 -1.069 7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.214 -0.149 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -4.387 -1.914 6.122 1.00 0.00 H new ATOM 112 N ASP A 158 -6.531 -2.411 2.203 1.00 0.00 N ATOM 113 CA ASP A 158 -7.374 -2.275 1.036 1.00 0.00 C ATOM 114 C ASP A 158 -8.513 -1.340 1.321 1.00 0.00 C ATOM 115 O ASP A 158 -9.448 -1.678 2.050 1.00 0.00 O ATOM 116 CB ASP A 158 -7.922 -3.608 0.513 1.00 0.00 C ATOM 117 CG ASP A 158 -9.059 -3.377 -0.486 1.00 0.00 C ATOM 118 OD1 ASP A 158 -8.887 -2.596 -1.435 1.00 0.00 O ATOM 119 OD2 ASP A 158 -10.166 -3.899 -0.266 1.00 0.00 O ATOM 0 H ASP A 158 -7.048 -2.446 3.082 1.00 0.00 H new ATOM 0 HA ASP A 158 -6.736 -1.868 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -7.121 -4.172 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -8.282 -4.210 1.347 1.00 0.00 H new ATOM 124 N LEU A 159 -8.386 -0.146 0.839 1.00 0.00 N ATOM 125 CA LEU A 159 -9.450 0.820 0.911 1.00 0.00 C ATOM 126 C LEU A 159 -9.939 1.122 -0.503 1.00 0.00 C ATOM 127 O LEU A 159 -10.709 2.056 -0.721 1.00 0.00 O ATOM 128 CB LEU A 159 -8.975 2.101 1.610 1.00 0.00 C ATOM 129 CG LEU A 159 -8.439 1.935 3.042 1.00 0.00 C ATOM 130 CD1 LEU A 159 -7.919 3.255 3.568 1.00 0.00 C ATOM 131 CD2 LEU A 159 -9.522 1.386 3.966 1.00 0.00 C ATOM 0 H LEU A 159 -7.540 0.194 0.381 1.00 0.00 H new ATOM 0 HA LEU A 159 -10.272 0.412 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -8.192 2.553 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.806 2.806 1.635 1.00 0.00 H new ATOM 0 HG LEU A 159 -7.616 1.221 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -7.543 3.120 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -7.112 3.610 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -8.726 3.987 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -9.120 1.277 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.367 2.074 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -9.854 0.414 3.601 1.00 0.00 H new ATOM 143 N PHE A 160 -9.479 0.328 -1.465 1.00 0.00 N ATOM 144 CA PHE A 160 -9.785 0.585 -2.862 1.00 0.00 C ATOM 145 C PHE A 160 -10.836 -0.373 -3.418 1.00 0.00 C ATOM 146 O PHE A 160 -11.756 0.045 -4.129 1.00 0.00 O ATOM 147 CB PHE A 160 -8.498 0.617 -3.735 1.00 0.00 C ATOM 148 CG PHE A 160 -7.595 -0.598 -3.632 1.00 0.00 C ATOM 149 CD1 PHE A 160 -7.764 -1.687 -4.470 1.00 0.00 C ATOM 150 CD2 PHE A 160 -6.570 -0.636 -2.701 1.00 0.00 C ATOM 151 CE1 PHE A 160 -6.937 -2.788 -4.378 1.00 0.00 C ATOM 152 CE2 PHE A 160 -5.738 -1.734 -2.604 1.00 0.00 C ATOM 153 CZ PHE A 160 -5.922 -2.810 -3.445 1.00 0.00 C ATOM 0 H PHE A 160 -8.897 -0.493 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 160 -10.229 1.580 -2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -8.793 0.739 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -7.919 1.499 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -8.554 -1.675 -5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -6.419 0.206 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -7.085 -3.631 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -4.945 -1.749 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 160 -5.272 -3.670 -3.373 1.00 0.00 H new ATOM 163 N GLY A 161 -10.722 -1.634 -3.093 1.00 0.00 N ATOM 164 CA GLY A 161 -11.669 -2.599 -3.572 1.00 0.00 C ATOM 165 C GLY A 161 -12.780 -2.813 -2.587 1.00 0.00 C ATOM 166 O GLY A 161 -13.880 -3.215 -2.965 1.00 0.00 O ATOM 0 H GLY A 161 -9.984 -2.014 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -12.083 -2.263 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -11.162 -3.545 -3.762 1.00 0.00 H new ATOM 170 N SER A 162 -12.476 -2.543 -1.312 1.00 0.00 N ATOM 171 CA SER A 162 -13.409 -2.693 -0.186 1.00 0.00 C ATOM 172 C SER A 162 -13.691 -4.182 0.055 1.00 0.00 C ATOM 173 O SER A 162 -14.692 -4.570 0.667 1.00 0.00 O ATOM 174 CB SER A 162 -14.692 -1.879 -0.414 1.00 0.00 C ATOM 175 OG SER A 162 -14.374 -0.507 -0.666 1.00 0.00 O ATOM 0 H SER A 162 -11.556 -2.207 -1.027 1.00 0.00 H new ATOM 0 HA SER A 162 -12.951 -2.289 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 162 -15.247 -2.291 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 162 -15.338 -1.954 0.460 1.00 0.00 H new ATOM 0 HG SER A 162 -15.201 -0.001 -0.811 1.00 0.00 H new ATOM 181 N ASP A 163 -12.734 -4.977 -0.386 1.00 0.00 N ATOM 182 CA ASP A 163 -12.689 -6.421 -0.289 1.00 0.00 C ATOM 183 C ASP A 163 -11.365 -6.874 -0.812 1.00 0.00 C ATOM 184 O ASP A 163 -11.010 -6.607 -1.967 1.00 0.00 O ATOM 185 CB ASP A 163 -13.806 -7.163 -1.050 1.00 0.00 C ATOM 186 CG ASP A 163 -14.911 -7.681 -0.157 1.00 0.00 C ATOM 187 OD1 ASP A 163 -14.618 -8.252 0.919 1.00 0.00 O ATOM 188 OD2 ASP A 163 -16.099 -7.555 -0.518 1.00 0.00 O ATOM 0 H ASP A 163 -11.909 -4.602 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 163 -12.840 -6.667 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -14.236 -6.490 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -13.368 -8.000 -1.594 1.00 0.00 H new ATOM 193 N ASN A 164 -10.647 -7.549 0.008 1.00 0.00 N ATOM 194 CA ASN A 164 -9.319 -7.995 -0.322 1.00 0.00 C ATOM 195 C ASN A 164 -9.326 -9.448 -0.678 1.00 0.00 C ATOM 196 O ASN A 164 -8.562 -9.892 -1.524 1.00 0.00 O ATOM 197 CB ASN A 164 -8.342 -7.695 0.829 1.00 0.00 C ATOM 198 CG ASN A 164 -6.937 -8.249 0.611 1.00 0.00 C ATOM 199 OD1 ASN A 164 -6.617 -9.357 1.060 1.00 0.00 O ATOM 200 ND2 ASN A 164 -6.110 -7.515 -0.096 1.00 0.00 N ATOM 0 H ASN A 164 -10.957 -7.817 0.942 1.00 0.00 H new ATOM 0 HA ASN A 164 -8.973 -7.443 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -8.279 -6.615 0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -8.746 -8.110 1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -5.168 -7.853 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -6.409 -6.606 -0.450 1.00 0.00 H new ATOM 207 N GLU A 165 -10.245 -10.184 -0.091 1.00 0.00 N ATOM 208 CA GLU A 165 -10.321 -11.611 -0.346 1.00 0.00 C ATOM 209 C GLU A 165 -10.947 -11.883 -1.704 1.00 0.00 C ATOM 210 O GLU A 165 -10.903 -13.001 -2.202 1.00 0.00 O ATOM 211 CB GLU A 165 -11.059 -12.387 0.754 1.00 0.00 C ATOM 212 CG GLU A 165 -12.564 -12.207 0.775 1.00 0.00 C ATOM 213 CD GLU A 165 -13.214 -13.049 1.838 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.072 -14.294 1.799 1.00 0.00 O ATOM 215 OE2 GLU A 165 -13.900 -12.490 2.719 1.00 0.00 O ATOM 0 H GLU A 165 -10.944 -9.826 0.560 1.00 0.00 H new ATOM 0 HA GLU A 165 -9.294 -11.976 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -10.838 -13.448 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -10.660 -12.082 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -12.802 -11.157 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -12.975 -12.471 -0.199 1.00 0.00 H new ATOM 222 N GLU A 166 -11.573 -10.875 -2.286 1.00 0.00 N ATOM 223 CA GLU A 166 -12.152 -11.058 -3.581 1.00 0.00 C ATOM 224 C GLU A 166 -11.025 -11.128 -4.632 1.00 0.00 C ATOM 225 O GLU A 166 -11.001 -12.015 -5.483 1.00 0.00 O ATOM 226 CB GLU A 166 -13.285 -10.021 -3.842 1.00 0.00 C ATOM 227 CG GLU A 166 -12.911 -8.559 -4.032 1.00 0.00 C ATOM 228 CD GLU A 166 -12.391 -8.218 -5.398 1.00 0.00 C ATOM 229 OE1 GLU A 166 -13.121 -8.368 -6.380 1.00 0.00 O ATOM 230 OE2 GLU A 166 -11.259 -7.772 -5.513 1.00 0.00 O ATOM 0 H GLU A 166 -11.686 -9.945 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.673 -12.013 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.827 -10.341 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -13.983 -10.077 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -13.788 -7.944 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -12.155 -8.292 -3.293 1.00 0.00 H new ATOM 237 N GLU A 167 -10.057 -10.226 -4.499 1.00 0.00 N ATOM 238 CA GLU A 167 -8.819 -10.206 -5.286 1.00 0.00 C ATOM 239 C GLU A 167 -7.771 -11.134 -4.623 1.00 0.00 C ATOM 240 O GLU A 167 -6.568 -10.904 -4.720 1.00 0.00 O ATOM 241 CB GLU A 167 -8.272 -8.812 -5.279 1.00 0.00 C ATOM 242 CG GLU A 167 -7.265 -8.568 -6.384 1.00 0.00 C ATOM 243 CD GLU A 167 -7.893 -8.448 -7.741 1.00 0.00 C ATOM 244 OE1 GLU A 167 -8.486 -7.401 -8.046 1.00 0.00 O ATOM 245 OE2 GLU A 167 -7.798 -9.397 -8.532 1.00 0.00 O ATOM 0 H GLU A 167 -10.110 -9.465 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.027 -10.540 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.094 -8.104 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -7.801 -8.617 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -6.710 -7.656 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -6.543 -9.385 -6.396 1.00 0.00 H new ATOM 252 N ASP A 168 -8.254 -12.154 -3.967 1.00 0.00 N ATOM 253 CA ASP A 168 -7.443 -13.163 -3.202 1.00 0.00 C ATOM 254 C ASP A 168 -6.205 -13.586 -3.958 1.00 0.00 C ATOM 255 O ASP A 168 -5.102 -13.650 -3.390 1.00 0.00 O ATOM 256 CB ASP A 168 -8.278 -14.399 -2.900 1.00 0.00 C ATOM 257 CG ASP A 168 -7.502 -15.483 -2.191 1.00 0.00 C ATOM 258 OD1 ASP A 168 -7.411 -15.442 -0.944 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.995 -16.411 -2.862 1.00 0.00 O ATOM 0 H ASP A 168 -9.255 -12.345 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 168 -7.135 -12.681 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -9.132 -14.112 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.676 -14.797 -3.833 1.00 0.00 H new ATOM 264 N LYS A 169 -6.402 -13.867 -5.234 1.00 0.00 N ATOM 265 CA LYS A 169 -5.336 -14.175 -6.176 1.00 0.00 C ATOM 266 C LYS A 169 -4.149 -13.201 -6.024 1.00 0.00 C ATOM 267 O LYS A 169 -3.022 -13.607 -5.765 1.00 0.00 O ATOM 268 CB LYS A 169 -5.891 -14.084 -7.617 1.00 0.00 C ATOM 269 CG LYS A 169 -6.726 -12.809 -7.867 1.00 0.00 C ATOM 270 CD LYS A 169 -6.977 -12.503 -9.311 1.00 0.00 C ATOM 271 CE LYS A 169 -5.687 -12.329 -10.109 1.00 0.00 C ATOM 272 NZ LYS A 169 -5.959 -12.052 -11.534 1.00 0.00 N ATOM 0 H LYS A 169 -7.330 -13.888 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 169 -4.976 -15.183 -5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.060 -14.111 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.508 -14.960 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -7.685 -12.913 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -6.215 -11.960 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.566 -13.307 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -7.572 -11.593 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.104 -11.512 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.081 -13.231 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -5.059 -11.940 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.494 -12.843 -11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -6.516 -11.177 -11.618 1.00 0.00 H new ATOM 286 N GLU A 170 -4.440 -11.919 -6.070 1.00 0.00 N ATOM 287 CA GLU A 170 -3.439 -10.927 -6.061 1.00 0.00 C ATOM 288 C GLU A 170 -3.065 -10.505 -4.681 1.00 0.00 C ATOM 289 O GLU A 170 -1.997 -9.996 -4.492 1.00 0.00 O ATOM 290 CB GLU A 170 -3.771 -9.760 -6.964 1.00 0.00 C ATOM 291 CG GLU A 170 -2.998 -9.808 -8.264 1.00 0.00 C ATOM 292 CD GLU A 170 -3.559 -8.911 -9.324 1.00 0.00 C ATOM 293 OE1 GLU A 170 -3.485 -7.676 -9.189 1.00 0.00 O ATOM 294 OE2 GLU A 170 -4.103 -9.433 -10.310 1.00 0.00 O ATOM 0 H GLU A 170 -5.392 -11.554 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.547 -11.388 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -4.840 -9.761 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.550 -8.827 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -1.962 -9.528 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -2.988 -10.833 -8.634 1.00 0.00 H new ATOM 301 N ALA A 171 -3.941 -10.742 -3.718 1.00 0.00 N ATOM 302 CA ALA A 171 -3.632 -10.460 -2.324 1.00 0.00 C ATOM 303 C ALA A 171 -2.335 -11.163 -1.956 1.00 0.00 C ATOM 304 O ALA A 171 -1.451 -10.575 -1.374 1.00 0.00 O ATOM 305 CB ALA A 171 -4.768 -10.915 -1.421 1.00 0.00 C ATOM 0 H ALA A 171 -4.872 -11.129 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.512 -9.385 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.518 -10.696 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.683 -10.388 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.919 -11.988 -1.539 1.00 0.00 H new ATOM 311 N ALA A 172 -2.221 -12.402 -2.401 1.00 0.00 N ATOM 312 CA ALA A 172 -1.038 -13.197 -2.211 1.00 0.00 C ATOM 313 C ALA A 172 0.048 -12.796 -3.207 1.00 0.00 C ATOM 314 O ALA A 172 1.175 -12.537 -2.799 1.00 0.00 O ATOM 315 CB ALA A 172 -1.366 -14.672 -2.340 1.00 0.00 C ATOM 0 H ALA A 172 -2.962 -12.883 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.659 -13.015 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.460 -15.260 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.104 -14.948 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -1.770 -14.869 -3.333 1.00 0.00 H new ATOM 321 N GLN A 173 -0.309 -12.717 -4.522 1.00 0.00 N ATOM 322 CA GLN A 173 0.648 -12.354 -5.574 1.00 0.00 C ATOM 323 C GLN A 173 1.363 -11.063 -5.270 1.00 0.00 C ATOM 324 O GLN A 173 2.560 -11.050 -5.160 1.00 0.00 O ATOM 325 CB GLN A 173 -0.006 -12.210 -6.935 1.00 0.00 C ATOM 326 CG GLN A 173 -0.533 -13.477 -7.560 1.00 0.00 C ATOM 327 CD GLN A 173 -1.099 -13.215 -8.937 1.00 0.00 C ATOM 328 OE1 GLN A 173 -2.293 -12.952 -9.108 1.00 0.00 O ATOM 329 NE2 GLN A 173 -0.236 -13.213 -9.919 1.00 0.00 N ATOM 0 H GLN A 173 -1.252 -12.902 -4.863 1.00 0.00 H new ATOM 0 HA GLN A 173 1.360 -13.179 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -0.831 -11.504 -6.845 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.719 -11.767 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 173 0.269 -14.213 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.306 -13.906 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 173 0.743 -13.436 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -0.542 -12.989 -10.866 1.00 0.00 H new ATOM 338 N LEU A 174 0.608 -9.990 -5.122 1.00 0.00 N ATOM 339 CA LEU A 174 1.159 -8.662 -4.860 1.00 0.00 C ATOM 340 C LEU A 174 2.018 -8.693 -3.625 1.00 0.00 C ATOM 341 O LEU A 174 3.173 -8.283 -3.666 1.00 0.00 O ATOM 342 CB LEU A 174 0.032 -7.657 -4.678 1.00 0.00 C ATOM 343 CG LEU A 174 -0.917 -7.529 -5.860 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.107 -6.652 -5.515 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.196 -6.998 -7.082 1.00 0.00 C ATOM 0 H LEU A 174 -0.410 -10.009 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 174 1.771 -8.362 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.546 -7.938 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.468 -6.679 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.290 -8.526 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.768 -6.579 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.651 -7.090 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.758 -5.657 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.898 -6.917 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.220 -6.015 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.610 -7.680 -7.354 1.00 0.00 H new ATOM 357 N ARG A 175 1.456 -9.234 -2.558 1.00 0.00 N ATOM 358 CA ARG A 175 2.141 -9.394 -1.284 1.00 0.00 C ATOM 359 C ARG A 175 3.527 -10.041 -1.458 1.00 0.00 C ATOM 360 O ARG A 175 4.577 -9.405 -1.192 1.00 0.00 O ATOM 361 CB ARG A 175 1.264 -10.256 -0.384 1.00 0.00 C ATOM 362 CG ARG A 175 1.879 -10.688 0.918 1.00 0.00 C ATOM 363 CD ARG A 175 0.956 -11.649 1.622 1.00 0.00 C ATOM 364 NE ARG A 175 1.501 -12.097 2.900 1.00 0.00 N ATOM 365 CZ ARG A 175 0.779 -12.547 3.932 1.00 0.00 C ATOM 366 NH1 ARG A 175 -0.559 -12.500 3.898 1.00 0.00 N ATOM 367 NH2 ARG A 175 1.400 -13.005 5.016 1.00 0.00 N ATOM 0 H ARG A 175 0.497 -9.580 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 175 2.304 -8.413 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.349 -9.705 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 175 0.974 -11.148 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 175 2.843 -11.162 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.065 -9.819 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.008 -11.169 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.776 -12.513 0.982 1.00 0.00 H new ATOM 0 HE ARG A 175 2.514 -12.064 3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.035 -12.119 3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.102 -12.845 4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 175 2.419 -13.011 5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 175 0.857 -13.350 5.807 1.00 0.00 H new ATOM 381 N GLU A 176 3.543 -11.261 -1.976 1.00 0.00 N ATOM 382 CA GLU A 176 4.779 -11.974 -2.098 1.00 0.00 C ATOM 383 C GLU A 176 5.667 -11.378 -3.168 1.00 0.00 C ATOM 384 O GLU A 176 6.818 -11.133 -2.919 1.00 0.00 O ATOM 385 CB GLU A 176 4.594 -13.483 -2.323 1.00 0.00 C ATOM 386 CG GLU A 176 3.899 -13.876 -3.618 1.00 0.00 C ATOM 387 CD GLU A 176 4.468 -15.134 -4.209 1.00 0.00 C ATOM 388 OE1 GLU A 176 4.462 -16.187 -3.546 1.00 0.00 O ATOM 389 OE2 GLU A 176 4.952 -15.092 -5.364 1.00 0.00 O ATOM 0 H GLU A 176 2.719 -11.761 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 176 5.276 -11.861 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.575 -13.958 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 176 4.023 -13.889 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.834 -14.015 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.992 -13.064 -4.339 1.00 0.00 H new ATOM 396 N GLU A 177 5.109 -11.076 -4.321 1.00 0.00 N ATOM 397 CA GLU A 177 5.887 -10.603 -5.451 1.00 0.00 C ATOM 398 C GLU A 177 6.570 -9.286 -5.195 1.00 0.00 C ATOM 399 O GLU A 177 7.672 -9.069 -5.685 1.00 0.00 O ATOM 400 CB GLU A 177 5.105 -10.605 -6.765 1.00 0.00 C ATOM 401 CG GLU A 177 4.852 -12.009 -7.300 1.00 0.00 C ATOM 402 CD GLU A 177 4.041 -12.033 -8.569 1.00 0.00 C ATOM 403 OE1 GLU A 177 4.470 -11.420 -9.581 1.00 0.00 O ATOM 404 OE2 GLU A 177 2.992 -12.718 -8.604 1.00 0.00 O ATOM 0 H GLU A 177 4.108 -11.150 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 177 6.683 -11.337 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.150 -10.101 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.655 -10.031 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.809 -12.498 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 177 4.336 -12.592 -6.537 1.00 0.00 H new ATOM 411 N ARG A 178 5.961 -8.417 -4.412 1.00 0.00 N ATOM 412 CA ARG A 178 6.610 -7.162 -4.085 1.00 0.00 C ATOM 413 C ARG A 178 7.857 -7.409 -3.244 1.00 0.00 C ATOM 414 O ARG A 178 8.928 -6.875 -3.547 1.00 0.00 O ATOM 415 CB ARG A 178 5.671 -6.156 -3.409 1.00 0.00 C ATOM 416 CG ARG A 178 4.533 -5.675 -4.302 1.00 0.00 C ATOM 417 CD ARG A 178 3.744 -4.555 -3.652 1.00 0.00 C ATOM 418 NE ARG A 178 4.575 -3.359 -3.475 1.00 0.00 N ATOM 419 CZ ARG A 178 4.163 -2.184 -3.004 1.00 0.00 C ATOM 420 NH1 ARG A 178 2.912 -2.014 -2.582 1.00 0.00 N ATOM 421 NH2 ARG A 178 5.022 -1.177 -2.947 1.00 0.00 N ATOM 0 H ARG A 178 5.038 -8.551 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 178 6.908 -6.705 -5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.249 -6.613 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.253 -5.294 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 178 4.938 -5.330 -5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 178 3.867 -6.509 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.877 -4.312 -4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.366 -4.886 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 178 5.558 -3.435 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.252 -2.791 -2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 178 2.613 -1.107 -2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 178 5.983 -1.308 -3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 178 4.722 -0.270 -2.589 1.00 0.00 H new ATOM 435 N LEU A 179 7.747 -8.279 -2.238 1.00 0.00 N ATOM 436 CA LEU A 179 8.910 -8.569 -1.385 1.00 0.00 C ATOM 437 C LEU A 179 9.924 -9.472 -2.117 1.00 0.00 C ATOM 438 O LEU A 179 11.141 -9.326 -1.968 1.00 0.00 O ATOM 439 CB LEU A 179 8.474 -9.134 0.006 1.00 0.00 C ATOM 440 CG LEU A 179 7.652 -10.448 0.046 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.522 -11.687 -0.124 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.843 -10.539 1.320 1.00 0.00 C ATOM 0 H LEU A 179 6.894 -8.783 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 179 9.426 -7.631 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.376 -9.289 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.891 -8.363 0.509 1.00 0.00 H new ATOM 0 HG LEU A 179 6.970 -10.417 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.896 -12.579 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 179 9.035 -11.642 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.258 -11.728 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 179 6.275 -11.469 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.514 -10.519 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 179 6.156 -9.694 1.376 1.00 0.00 H new ATOM 454 N ARG A 180 9.390 -10.357 -2.928 1.00 0.00 N ATOM 455 CA ARG A 180 10.131 -11.317 -3.740 1.00 0.00 C ATOM 456 C ARG A 180 11.059 -10.604 -4.715 1.00 0.00 C ATOM 457 O ARG A 180 12.261 -10.875 -4.742 1.00 0.00 O ATOM 458 CB ARG A 180 9.103 -12.163 -4.487 1.00 0.00 C ATOM 459 CG ARG A 180 9.598 -13.162 -5.499 1.00 0.00 C ATOM 460 CD ARG A 180 8.397 -13.864 -6.119 1.00 0.00 C ATOM 461 NE ARG A 180 8.744 -14.667 -7.283 1.00 0.00 N ATOM 462 CZ ARG A 180 7.862 -15.371 -8.015 1.00 0.00 C ATOM 463 NH1 ARG A 180 6.594 -15.537 -7.592 1.00 0.00 N ATOM 464 NH2 ARG A 180 8.267 -15.953 -9.136 1.00 0.00 N ATOM 0 H ARG A 180 8.381 -10.437 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 180 10.760 -11.946 -3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 180 8.516 -12.705 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 180 8.421 -11.483 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 180 10.182 -12.661 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 180 10.256 -13.889 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 180 7.931 -14.504 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 180 7.656 -13.118 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 180 9.724 -14.698 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 180 6.293 -15.127 -6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 180 5.934 -16.073 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 180 9.238 -15.864 -9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 180 7.607 -16.489 -9.699 1.00 0.00 H new ATOM 478 N GLN A 181 10.502 -9.672 -5.481 1.00 0.00 N ATOM 479 CA GLN A 181 11.272 -8.925 -6.470 1.00 0.00 C ATOM 480 C GLN A 181 12.296 -8.039 -5.800 1.00 0.00 C ATOM 481 O GLN A 181 13.411 -7.920 -6.274 1.00 0.00 O ATOM 482 CB GLN A 181 10.360 -8.096 -7.365 1.00 0.00 C ATOM 483 CG GLN A 181 9.431 -8.924 -8.230 1.00 0.00 C ATOM 484 CD GLN A 181 8.413 -8.073 -8.940 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.636 -7.609 -10.047 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.308 -7.842 -8.301 1.00 0.00 N ATOM 0 H GLN A 181 9.516 -9.415 -5.436 1.00 0.00 H new ATOM 0 HA GLN A 181 11.797 -9.649 -7.094 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.763 -7.430 -6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 181 10.974 -7.465 -8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 181 10.017 -9.477 -8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 181 8.919 -9.660 -7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 181 7.159 -8.248 -7.377 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.589 -7.254 -8.722 1.00 0.00 H new ATOM 495 N TYR A 182 11.914 -7.447 -4.681 1.00 0.00 N ATOM 496 CA TYR A 182 12.811 -6.596 -3.901 1.00 0.00 C ATOM 497 C TYR A 182 14.022 -7.411 -3.469 1.00 0.00 C ATOM 498 O TYR A 182 15.158 -6.987 -3.660 1.00 0.00 O ATOM 499 CB TYR A 182 12.062 -6.041 -2.676 1.00 0.00 C ATOM 500 CG TYR A 182 12.851 -5.061 -1.835 1.00 0.00 C ATOM 501 CD1 TYR A 182 12.931 -3.729 -2.200 1.00 0.00 C ATOM 502 CD2 TYR A 182 13.501 -5.466 -0.673 1.00 0.00 C ATOM 503 CE1 TYR A 182 13.638 -2.824 -1.440 1.00 0.00 C ATOM 504 CE2 TYR A 182 14.212 -4.564 0.095 1.00 0.00 C ATOM 505 CZ TYR A 182 14.276 -3.245 -0.294 1.00 0.00 C ATOM 506 OH TYR A 182 14.978 -2.340 0.461 1.00 0.00 O ATOM 0 H TYR A 182 10.979 -7.539 -4.285 1.00 0.00 H new ATOM 0 HA TYR A 182 13.149 -5.756 -4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 182 11.150 -5.552 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.759 -6.876 -2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 182 12.431 -3.393 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 182 13.449 -6.500 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 182 13.692 -1.788 -1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 182 14.714 -4.891 0.994 1.00 0.00 H new ATOM 0 HH TYR A 182 15.368 -2.794 1.237 1.00 0.00 H new ATOM 516 N ALA A 183 13.765 -8.594 -2.946 1.00 0.00 N ATOM 517 CA ALA A 183 14.816 -9.491 -2.514 1.00 0.00 C ATOM 518 C ALA A 183 15.701 -9.900 -3.688 1.00 0.00 C ATOM 519 O ALA A 183 16.916 -9.753 -3.627 1.00 0.00 O ATOM 520 CB ALA A 183 14.222 -10.717 -1.847 1.00 0.00 C ATOM 0 H ALA A 183 12.822 -8.959 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 183 15.437 -8.964 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.024 -11.382 -1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.637 -10.412 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.577 -11.239 -2.554 1.00 0.00 H new ATOM 526 N GLU A 184 15.078 -10.363 -4.775 1.00 0.00 N ATOM 527 CA GLU A 184 15.809 -10.803 -5.963 1.00 0.00 C ATOM 528 C GLU A 184 16.664 -9.697 -6.560 1.00 0.00 C ATOM 529 O GLU A 184 17.798 -9.946 -7.000 1.00 0.00 O ATOM 530 CB GLU A 184 14.876 -11.409 -7.007 1.00 0.00 C ATOM 531 CG GLU A 184 14.268 -12.724 -6.559 1.00 0.00 C ATOM 532 CD GLU A 184 13.336 -13.337 -7.572 1.00 0.00 C ATOM 533 OE1 GLU A 184 13.773 -13.657 -8.682 1.00 0.00 O ATOM 534 OE2 GLU A 184 12.160 -13.568 -7.256 1.00 0.00 O ATOM 0 H GLU A 184 14.064 -10.442 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 184 16.491 -11.587 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.077 -10.701 -7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 184 15.428 -11.566 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.070 -13.430 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 184 13.724 -12.564 -5.628 1.00 0.00 H new ATOM 541 N LYS A 185 16.150 -8.486 -6.556 1.00 0.00 N ATOM 542 CA LYS A 185 16.909 -7.367 -7.046 1.00 0.00 C ATOM 543 C LYS A 185 18.027 -7.007 -6.089 1.00 0.00 C ATOM 544 O LYS A 185 19.193 -7.092 -6.457 1.00 0.00 O ATOM 545 CB LYS A 185 16.035 -6.137 -7.304 1.00 0.00 C ATOM 546 CG LYS A 185 15.020 -6.300 -8.418 1.00 0.00 C ATOM 547 CD LYS A 185 14.219 -5.022 -8.612 1.00 0.00 C ATOM 548 CE LYS A 185 13.158 -5.197 -9.678 1.00 0.00 C ATOM 549 NZ LYS A 185 12.378 -3.962 -9.902 1.00 0.00 N ATOM 0 H LYS A 185 15.215 -8.257 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 185 17.337 -7.679 -7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 185 15.507 -5.885 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.682 -5.293 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.530 -6.559 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.346 -7.124 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 185 13.749 -4.738 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.889 -4.209 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 185 13.631 -5.499 -10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 185 12.483 -6.002 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 11.665 -4.131 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 11.904 -3.686 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 13.016 -3.199 -10.206 1.00 0.00 H new ATOM 563 N LYS A 186 17.672 -6.686 -4.838 1.00 0.00 N ATOM 564 CA LYS A 186 18.633 -6.129 -3.876 1.00 0.00 C ATOM 565 C LYS A 186 19.716 -7.116 -3.448 1.00 0.00 C ATOM 566 O LYS A 186 20.857 -6.723 -3.218 1.00 0.00 O ATOM 567 CB LYS A 186 17.960 -5.525 -2.623 1.00 0.00 C ATOM 568 CG LYS A 186 16.879 -4.454 -2.862 1.00 0.00 C ATOM 569 CD LYS A 186 17.220 -3.513 -4.005 1.00 0.00 C ATOM 570 CE LYS A 186 16.455 -2.193 -3.917 1.00 0.00 C ATOM 571 NZ LYS A 186 16.917 -1.342 -2.789 1.00 0.00 N ATOM 0 H LYS A 186 16.728 -6.802 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 186 19.115 -5.324 -4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.512 -6.339 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 186 18.738 -5.088 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 186 15.929 -4.945 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 186 16.742 -3.874 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 186 18.291 -3.311 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 186 16.993 -4.000 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 186 16.572 -1.646 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.391 -2.400 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 16.589 -0.366 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 16.529 -1.708 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 17.956 -1.356 -2.747 1.00 0.00 H new ATOM 585 N ALA A 187 19.377 -8.388 -3.345 1.00 0.00 N ATOM 586 CA ALA A 187 20.355 -9.392 -2.922 1.00 0.00 C ATOM 587 C ALA A 187 21.366 -9.666 -4.021 1.00 0.00 C ATOM 588 O ALA A 187 22.487 -10.119 -3.758 1.00 0.00 O ATOM 589 CB ALA A 187 19.667 -10.682 -2.501 1.00 0.00 C ATOM 0 H ALA A 187 18.446 -8.754 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 187 20.887 -8.991 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.417 -11.410 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 187 18.993 -10.480 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.098 -11.082 -3.340 1.00 0.00 H new ATOM 595 N LYS A 188 20.981 -9.378 -5.243 1.00 0.00 N ATOM 596 CA LYS A 188 21.833 -9.604 -6.380 1.00 0.00 C ATOM 597 C LYS A 188 22.258 -8.285 -7.021 1.00 0.00 C ATOM 598 O LYS A 188 22.646 -8.235 -8.185 1.00 0.00 O ATOM 599 CB LYS A 188 21.167 -10.567 -7.385 1.00 0.00 C ATOM 600 CG LYS A 188 20.985 -11.983 -6.822 1.00 0.00 C ATOM 601 CD LYS A 188 20.495 -13.018 -7.855 1.00 0.00 C ATOM 602 CE LYS A 188 18.995 -12.947 -8.191 1.00 0.00 C ATOM 603 NZ LYS A 188 18.591 -11.736 -8.932 1.00 0.00 N ATOM 0 H LYS A 188 20.070 -8.981 -5.473 1.00 0.00 H new ATOM 0 HA LYS A 188 22.746 -10.090 -6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.195 -10.168 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 188 21.773 -10.616 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 188 21.935 -12.322 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 188 20.273 -11.945 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.064 -12.887 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 188 20.720 -14.017 -7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 188 18.725 -13.824 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 188 18.425 -12.997 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 17.919 -11.996 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 18.139 -11.064 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 19.430 -11.293 -9.358 1.00 0.00 H new ATOM 617 N LYS A 189 22.204 -7.220 -6.240 1.00 0.00 N ATOM 618 CA LYS A 189 22.681 -5.921 -6.680 1.00 0.00 C ATOM 619 C LYS A 189 24.170 -5.825 -6.445 1.00 0.00 C ATOM 620 O LYS A 189 24.674 -6.373 -5.450 1.00 0.00 O ATOM 621 CB LYS A 189 21.997 -4.761 -5.922 1.00 0.00 C ATOM 622 CG LYS A 189 20.596 -4.402 -6.379 1.00 0.00 C ATOM 623 CD LYS A 189 20.596 -3.865 -7.797 1.00 0.00 C ATOM 624 CE LYS A 189 19.207 -3.439 -8.229 1.00 0.00 C ATOM 625 NZ LYS A 189 19.192 -2.910 -9.609 1.00 0.00 N ATOM 0 H LYS A 189 21.831 -7.231 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 189 22.441 -5.831 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 189 21.958 -5.018 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 189 22.625 -3.875 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 189 19.956 -5.283 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 189 20.172 -3.656 -5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 189 21.276 -3.016 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 189 20.971 -4.630 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 189 18.529 -4.290 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 189 18.833 -2.677 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 18.223 -2.631 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 19.818 -2.082 -9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 19.524 -3.645 -10.266 1.00 0.00 H new ATOM 639 N PRO A 190 24.917 -5.207 -7.367 1.00 0.00 N ATOM 640 CA PRO A 190 26.316 -4.893 -7.144 1.00 0.00 C ATOM 641 C PRO A 190 26.410 -3.826 -6.058 1.00 0.00 C ATOM 642 O PRO A 190 26.253 -2.618 -6.315 1.00 0.00 O ATOM 643 CB PRO A 190 26.805 -4.348 -8.497 1.00 0.00 C ATOM 644 CG PRO A 190 25.769 -4.784 -9.474 1.00 0.00 C ATOM 645 CD PRO A 190 24.483 -4.810 -8.715 1.00 0.00 C ATOM 0 HA PRO A 190 26.911 -5.746 -6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 190 26.899 -3.262 -8.477 1.00 0.00 H new ATOM 0 HB3 PRO A 190 27.786 -4.748 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 190 25.712 -4.096 -10.317 1.00 0.00 H new ATOM 0 HG3 PRO A 190 26.004 -5.768 -9.881 1.00 0.00 H new ATOM 0 HD2 PRO A 190 23.993 -3.836 -8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 190 23.775 -5.522 -9.140 1.00 0.00 H new ATOM 653 N ALA A 191 26.553 -4.282 -4.847 1.00 0.00 N ATOM 654 CA ALA A 191 26.572 -3.429 -3.708 1.00 0.00 C ATOM 655 C ALA A 191 27.985 -3.093 -3.320 1.00 0.00 C ATOM 656 O ALA A 191 28.714 -3.926 -2.748 1.00 0.00 O ATOM 657 CB ALA A 191 25.823 -4.071 -2.546 1.00 0.00 C ATOM 0 H ALA A 191 26.661 -5.272 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 191 26.064 -2.499 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 191 25.848 -3.404 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 191 24.788 -4.251 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 191 26.297 -5.018 -2.286 1.00 0.00 H new ATOM 663 N LEU A 192 28.389 -1.918 -3.693 1.00 0.00 N ATOM 664 CA LEU A 192 29.663 -1.390 -3.322 1.00 0.00 C ATOM 665 C LEU A 192 29.433 -0.558 -2.099 1.00 0.00 C ATOM 666 O LEU A 192 28.681 0.437 -2.195 1.00 0.00 O ATOM 667 CB LEU A 192 30.327 -0.536 -4.437 1.00 0.00 C ATOM 668 CG LEU A 192 30.714 -1.239 -5.759 1.00 0.00 C ATOM 669 CD1 LEU A 192 29.495 -1.586 -6.603 1.00 0.00 C ATOM 670 CD2 LEU A 192 31.689 -0.385 -6.553 1.00 0.00 C ATOM 671 OXT LEU A 192 29.939 -0.916 -1.016 1.00 0.00 O ATOM 0 H LEU A 192 27.833 -1.290 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 192 30.355 -2.213 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 192 29.648 0.281 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 192 31.229 -0.088 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 192 31.201 -2.178 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 192 29.816 -2.078 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 192 28.843 -2.255 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 192 28.952 -0.674 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 192 31.949 -0.896 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 192 31.227 0.574 -6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 192 32.591 -0.220 -5.964 1.00 0.00 H new TER 683 LEU A 192