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= 0.805 K(o=1.8,f=-2.9) USER MOD Set 1.2: A 185 LYS NZ :NH3+ 146:sc= 0.969 (180deg=0) USER MOD Single : A 152 SER OG : rot 180:sc= 0.00591 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -1.26! C(o=-1.3!,f=-2.4!) USER MOD Single : A 169 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.165) USER MOD Single : A 173 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 LYS NZ :NH3+ 167:sc= -0.0363 (180deg=-0.233) USER MOD Single : A 188 LYS NZ :NH3+ -164:sc= -0.0649 (180deg=-0.321) USER MOD Single : A 189 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 12.508 6.776 5.806 1.00 0.00 N ATOM 2 CA GLY A 149 13.159 5.603 6.378 1.00 0.00 C ATOM 3 C GLY A 149 12.158 4.522 6.706 1.00 0.00 C ATOM 4 O GLY A 149 10.954 4.711 6.490 1.00 0.00 O ATOM 0 HA2 GLY A 149 13.897 5.216 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 149 13.698 5.888 7.282 1.00 0.00 H new ATOM 10 N PRO A 150 12.615 3.376 7.217 1.00 0.00 N ATOM 11 CA PRO A 150 11.756 2.257 7.569 1.00 0.00 C ATOM 12 C PRO A 150 11.177 2.410 8.984 1.00 0.00 C ATOM 13 O PRO A 150 11.859 2.900 9.901 1.00 0.00 O ATOM 14 CB PRO A 150 12.715 1.043 7.511 1.00 0.00 C ATOM 15 CG PRO A 150 14.081 1.595 7.218 1.00 0.00 C ATOM 16 CD PRO A 150 14.021 3.062 7.498 1.00 0.00 C ATOM 0 HA PRO A 150 10.895 2.169 6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 150 12.710 0.499 8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 150 12.406 0.340 6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 150 14.835 1.113 7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 150 14.359 1.410 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 150 14.291 3.291 8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 150 14.700 3.626 6.858 1.00 0.00 H new ATOM 24 N GLY A 151 9.950 1.992 9.168 1.00 0.00 N ATOM 25 CA GLY A 151 9.327 2.097 10.462 1.00 0.00 C ATOM 26 C GLY A 151 8.030 2.858 10.416 1.00 0.00 C ATOM 27 O GLY A 151 7.086 2.439 9.741 1.00 0.00 O ATOM 0 H GLY A 151 9.366 1.578 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 151 9.144 1.097 10.856 1.00 0.00 H new ATOM 0 HA3 GLY A 151 10.011 2.592 11.152 1.00 0.00 H new ATOM 31 N SER A 152 8.012 3.999 11.074 1.00 0.00 N ATOM 32 CA SER A 152 6.828 4.828 11.224 1.00 0.00 C ATOM 33 C SER A 152 6.230 5.222 9.859 1.00 0.00 C ATOM 34 O SER A 152 5.002 5.157 9.653 1.00 0.00 O ATOM 35 CB SER A 152 7.210 6.069 12.031 1.00 0.00 C ATOM 36 OG SER A 152 7.913 5.688 13.215 1.00 0.00 O ATOM 0 H SER A 152 8.838 4.387 11.531 1.00 0.00 H new ATOM 0 HA SER A 152 6.058 4.263 11.749 1.00 0.00 H new ATOM 0 HB2 SER A 152 7.832 6.728 11.426 1.00 0.00 H new ATOM 0 HB3 SER A 152 6.314 6.630 12.296 1.00 0.00 H new ATOM 0 HG SER A 152 8.155 6.490 13.724 1.00 0.00 H new ATOM 42 N GLU A 153 7.098 5.592 8.932 1.00 0.00 N ATOM 43 CA GLU A 153 6.689 5.963 7.585 1.00 0.00 C ATOM 44 C GLU A 153 6.166 4.755 6.848 1.00 0.00 C ATOM 45 O GLU A 153 5.128 4.808 6.213 1.00 0.00 O ATOM 46 CB GLU A 153 7.873 6.508 6.832 1.00 0.00 C ATOM 47 CG GLU A 153 8.416 7.793 7.382 1.00 0.00 C ATOM 48 CD GLU A 153 9.761 8.083 6.821 1.00 0.00 C ATOM 49 OE1 GLU A 153 9.865 8.430 5.629 1.00 0.00 O ATOM 50 OE2 GLU A 153 10.766 7.955 7.564 1.00 0.00 O ATOM 0 H GLU A 153 8.104 5.644 9.090 1.00 0.00 H new ATOM 0 HA GLU A 153 5.905 6.717 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 153 8.666 5.761 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 153 7.587 6.664 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 153 7.735 8.611 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 153 8.476 7.732 8.469 1.00 0.00 H new ATOM 57 N ASP A 154 6.887 3.664 6.985 1.00 0.00 N ATOM 58 CA ASP A 154 6.578 2.404 6.306 1.00 0.00 C ATOM 59 C ASP A 154 5.188 1.913 6.655 1.00 0.00 C ATOM 60 O ASP A 154 4.440 1.467 5.788 1.00 0.00 O ATOM 61 CB ASP A 154 7.605 1.335 6.702 1.00 0.00 C ATOM 62 CG ASP A 154 7.291 -0.042 6.143 1.00 0.00 C ATOM 63 OD1 ASP A 154 6.508 -0.787 6.763 1.00 0.00 O ATOM 64 OD2 ASP A 154 7.861 -0.415 5.105 1.00 0.00 O ATOM 0 H ASP A 154 7.717 3.616 7.576 1.00 0.00 H new ATOM 0 HA ASP A 154 6.620 2.585 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 154 8.591 1.643 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 154 7.654 1.275 7.789 1.00 0.00 H new ATOM 69 N ASP A 155 4.852 2.013 7.915 1.00 0.00 N ATOM 70 CA ASP A 155 3.581 1.515 8.414 1.00 0.00 C ATOM 71 C ASP A 155 2.400 2.399 8.018 1.00 0.00 C ATOM 72 O ASP A 155 1.380 1.901 7.522 1.00 0.00 O ATOM 73 CB ASP A 155 3.625 1.367 9.941 1.00 0.00 C ATOM 74 CG ASP A 155 2.348 0.778 10.513 1.00 0.00 C ATOM 75 OD1 ASP A 155 2.242 -0.464 10.606 1.00 0.00 O ATOM 76 OD2 ASP A 155 1.439 1.543 10.900 1.00 0.00 O ATOM 0 H ASP A 155 5.444 2.439 8.628 1.00 0.00 H new ATOM 0 HA ASP A 155 3.427 0.540 7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 155 4.467 0.732 10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 155 3.802 2.344 10.391 1.00 0.00 H new ATOM 81 N ASP A 156 2.535 3.697 8.209 1.00 0.00 N ATOM 82 CA ASP A 156 1.386 4.595 8.039 1.00 0.00 C ATOM 83 C ASP A 156 1.259 5.198 6.651 1.00 0.00 C ATOM 84 O ASP A 156 0.138 5.377 6.150 1.00 0.00 O ATOM 85 CB ASP A 156 1.408 5.714 9.072 1.00 0.00 C ATOM 86 CG ASP A 156 0.155 6.574 9.007 1.00 0.00 C ATOM 87 OD1 ASP A 156 -0.936 6.083 9.382 1.00 0.00 O ATOM 88 OD2 ASP A 156 0.227 7.739 8.557 1.00 0.00 O ATOM 0 H ASP A 156 3.406 4.156 8.477 1.00 0.00 H new ATOM 0 HA ASP A 156 0.513 3.959 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 156 1.502 5.285 10.070 1.00 0.00 H new ATOM 0 HB3 ASP A 156 2.286 6.340 8.910 1.00 0.00 H new ATOM 93 N ILE A 157 2.371 5.502 6.030 1.00 0.00 N ATOM 94 CA ILE A 157 2.352 6.193 4.751 1.00 0.00 C ATOM 95 C ILE A 157 1.984 5.235 3.599 1.00 0.00 C ATOM 96 O ILE A 157 2.849 4.569 3.013 1.00 0.00 O ATOM 97 CB ILE A 157 3.706 6.927 4.484 1.00 0.00 C ATOM 98 CG1 ILE A 157 4.032 7.898 5.646 1.00 0.00 C ATOM 99 CG2 ILE A 157 3.699 7.678 3.153 1.00 0.00 C ATOM 100 CD1 ILE A 157 3.012 9.009 5.860 1.00 0.00 C ATOM 0 H ILE A 157 3.303 5.285 6.383 1.00 0.00 H new ATOM 0 HA ILE A 157 1.573 6.954 4.797 1.00 0.00 H new ATOM 0 HB ILE A 157 4.482 6.164 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 157 4.119 7.322 6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 157 5.006 8.350 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 157 4.660 8.173 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 157 3.528 6.974 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 157 2.904 8.424 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 157 3.327 9.636 6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 157 2.940 9.615 4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 157 2.039 8.571 6.082 1.00 0.00 H new ATOM 112 N ASP A 158 0.691 5.140 3.339 1.00 0.00 N ATOM 113 CA ASP A 158 0.140 4.300 2.282 1.00 0.00 C ATOM 114 C ASP A 158 -1.019 4.979 1.583 1.00 0.00 C ATOM 115 O ASP A 158 -2.030 5.333 2.200 1.00 0.00 O ATOM 116 CB ASP A 158 -0.301 2.915 2.787 1.00 0.00 C ATOM 117 CG ASP A 158 -1.233 2.213 1.792 1.00 0.00 C ATOM 118 OD1 ASP A 158 -0.857 2.018 0.623 1.00 0.00 O ATOM 119 OD2 ASP A 158 -2.397 1.934 2.158 1.00 0.00 O ATOM 0 H ASP A 158 -0.019 5.651 3.863 1.00 0.00 H new ATOM 0 HA ASP A 158 0.952 4.150 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 158 0.579 2.295 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -0.809 3.023 3.746 1.00 0.00 H new ATOM 124 N LEU A 159 -0.845 5.180 0.315 1.00 0.00 N ATOM 125 CA LEU A 159 -1.831 5.740 -0.556 1.00 0.00 C ATOM 126 C LEU A 159 -1.905 4.829 -1.783 1.00 0.00 C ATOM 127 O LEU A 159 -2.196 5.271 -2.900 1.00 0.00 O ATOM 128 CB LEU A 159 -1.313 7.110 -0.966 1.00 0.00 C ATOM 129 CG LEU A 159 -2.279 8.036 -1.727 1.00 0.00 C ATOM 130 CD1 LEU A 159 -3.495 8.389 -0.886 1.00 0.00 C ATOM 131 CD2 LEU A 159 -1.559 9.290 -2.190 1.00 0.00 C ATOM 0 H LEU A 159 0.026 4.948 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.814 5.826 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -0.988 7.630 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.429 6.964 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.636 7.497 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -4.154 9.044 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -4.030 7.478 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -3.174 8.899 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.257 9.933 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -1.165 9.824 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.738 9.015 -2.852 1.00 0.00 H new ATOM 143 N PHE A 160 -1.630 3.552 -1.574 1.00 0.00 N ATOM 144 CA PHE A 160 -1.526 2.635 -2.682 1.00 0.00 C ATOM 145 C PHE A 160 -2.430 1.418 -2.529 1.00 0.00 C ATOM 146 O PHE A 160 -3.159 1.070 -3.470 1.00 0.00 O ATOM 147 CB PHE A 160 -0.078 2.171 -2.842 1.00 0.00 C ATOM 148 CG PHE A 160 0.916 3.290 -2.980 1.00 0.00 C ATOM 149 CD1 PHE A 160 1.166 3.865 -4.212 1.00 0.00 C ATOM 150 CD2 PHE A 160 1.590 3.775 -1.867 1.00 0.00 C ATOM 151 CE1 PHE A 160 2.072 4.898 -4.332 1.00 0.00 C ATOM 152 CE2 PHE A 160 2.492 4.808 -1.983 1.00 0.00 C ATOM 153 CZ PHE A 160 2.734 5.371 -3.218 1.00 0.00 C ATOM 0 H PHE A 160 -1.477 3.136 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 160 -1.853 3.177 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 160 0.194 1.563 -1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.009 1.528 -3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 160 0.648 3.502 -5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 160 1.404 3.336 -0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 160 2.263 5.337 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 160 3.009 5.177 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 160 3.441 6.182 -3.313 1.00 0.00 H new ATOM 163 N GLY A 161 -2.393 0.800 -1.355 1.00 0.00 N ATOM 164 CA GLY A 161 -3.093 -0.460 -1.112 1.00 0.00 C ATOM 165 C GLY A 161 -4.601 -0.414 -1.280 1.00 0.00 C ATOM 166 O GLY A 161 -5.147 -0.882 -2.291 1.00 0.00 O ATOM 0 H GLY A 161 -1.881 1.154 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -2.693 -1.214 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -2.868 -0.791 -0.098 1.00 0.00 H new ATOM 170 N SER A 162 -5.268 0.171 -0.322 1.00 0.00 N ATOM 171 CA SER A 162 -6.717 0.242 -0.319 1.00 0.00 C ATOM 172 C SER A 162 -7.199 1.380 -1.225 1.00 0.00 C ATOM 173 O SER A 162 -8.396 1.585 -1.415 1.00 0.00 O ATOM 174 CB SER A 162 -7.206 0.429 1.118 1.00 0.00 C ATOM 175 OG SER A 162 -6.688 -0.607 1.955 1.00 0.00 O ATOM 0 H SER A 162 -4.827 0.615 0.484 1.00 0.00 H new ATOM 0 HA SER A 162 -7.132 -0.686 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 162 -6.890 1.402 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 162 -8.296 0.416 1.144 1.00 0.00 H new ATOM 0 HG SER A 162 -7.006 -0.476 2.873 1.00 0.00 H new ATOM 181 N ASP A 163 -6.242 2.095 -1.784 1.00 0.00 N ATOM 182 CA ASP A 163 -6.491 3.209 -2.683 1.00 0.00 C ATOM 183 C ASP A 163 -7.265 2.809 -3.924 1.00 0.00 C ATOM 184 O ASP A 163 -8.216 3.490 -4.305 1.00 0.00 O ATOM 185 CB ASP A 163 -5.185 3.893 -3.078 1.00 0.00 C ATOM 186 CG ASP A 163 -5.351 4.872 -4.225 1.00 0.00 C ATOM 187 OD1 ASP A 163 -6.006 5.931 -4.042 1.00 0.00 O ATOM 188 OD2 ASP A 163 -4.854 4.583 -5.336 1.00 0.00 O ATOM 0 H ASP A 163 -5.251 1.916 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.114 3.912 -2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -4.782 4.420 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.454 3.134 -3.358 1.00 0.00 H new ATOM 193 N ASN A 164 -6.884 1.713 -4.540 1.00 0.00 N ATOM 194 CA ASN A 164 -7.526 1.301 -5.785 1.00 0.00 C ATOM 195 C ASN A 164 -8.939 0.808 -5.562 1.00 0.00 C ATOM 196 O ASN A 164 -9.900 1.472 -5.942 1.00 0.00 O ATOM 197 CB ASN A 164 -6.701 0.260 -6.553 1.00 0.00 C ATOM 198 CG ASN A 164 -5.393 0.802 -7.112 1.00 0.00 C ATOM 199 OD1 ASN A 164 -4.423 0.069 -7.247 1.00 0.00 O ATOM 200 ND2 ASN A 164 -5.353 2.066 -7.461 1.00 0.00 N ATOM 0 H ASN A 164 -6.144 1.093 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 164 -7.580 2.196 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -6.483 -0.577 -5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -7.301 -0.132 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -4.499 2.459 -7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -6.176 2.655 -7.338 1.00 0.00 H new ATOM 207 N GLU A 165 -9.070 -0.322 -4.931 1.00 0.00 N ATOM 208 CA GLU A 165 -10.358 -0.885 -4.687 1.00 0.00 C ATOM 209 C GLU A 165 -10.357 -1.460 -3.294 1.00 0.00 C ATOM 210 O GLU A 165 -9.728 -2.476 -3.034 1.00 0.00 O ATOM 211 CB GLU A 165 -10.673 -1.949 -5.753 1.00 0.00 C ATOM 212 CG GLU A 165 -12.092 -2.487 -5.712 1.00 0.00 C ATOM 213 CD GLU A 165 -13.133 -1.394 -5.770 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.210 -0.658 -6.787 1.00 0.00 O ATOM 215 OE2 GLU A 165 -13.885 -1.239 -4.797 1.00 0.00 O ATOM 0 H GLU A 165 -8.290 -0.874 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 165 -11.139 -0.127 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -10.489 -1.522 -6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -9.980 -2.781 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -12.241 -3.170 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -12.230 -3.066 -4.799 1.00 0.00 H new ATOM 222 N GLU A 166 -11.015 -0.770 -2.398 1.00 0.00 N ATOM 223 CA GLU A 166 -11.041 -1.149 -0.991 1.00 0.00 C ATOM 224 C GLU A 166 -12.138 -2.145 -0.664 1.00 0.00 C ATOM 225 O GLU A 166 -12.113 -2.794 0.388 1.00 0.00 O ATOM 226 CB GLU A 166 -11.041 0.099 -0.079 1.00 0.00 C ATOM 227 CG GLU A 166 -11.985 1.235 -0.496 1.00 0.00 C ATOM 228 CD GLU A 166 -13.445 0.997 -0.202 1.00 0.00 C ATOM 229 OE1 GLU A 166 -14.145 0.412 -1.045 1.00 0.00 O ATOM 230 OE2 GLU A 166 -13.921 1.439 0.866 1.00 0.00 O ATOM 0 H GLU A 166 -11.550 0.071 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 166 -10.117 -1.688 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -11.304 -0.214 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -10.026 0.494 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -11.673 2.149 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -11.870 1.407 -1.566 1.00 0.00 H new ATOM 237 N GLU A 167 -13.089 -2.264 -1.559 1.00 0.00 N ATOM 238 CA GLU A 167 -14.149 -3.237 -1.412 1.00 0.00 C ATOM 239 C GLU A 167 -13.610 -4.628 -1.730 1.00 0.00 C ATOM 240 O GLU A 167 -13.852 -5.587 -0.993 1.00 0.00 O ATOM 241 CB GLU A 167 -15.312 -2.905 -2.326 1.00 0.00 C ATOM 242 CG GLU A 167 -16.468 -3.875 -2.220 1.00 0.00 C ATOM 243 CD GLU A 167 -17.543 -3.564 -3.197 1.00 0.00 C ATOM 244 OE1 GLU A 167 -17.475 -4.055 -4.334 1.00 0.00 O ATOM 245 OE2 GLU A 167 -18.467 -2.803 -2.858 1.00 0.00 O ATOM 0 H GLU A 167 -13.152 -1.695 -2.403 1.00 0.00 H new ATOM 0 HA GLU A 167 -14.509 -3.214 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -15.669 -1.902 -2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -14.958 -2.887 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -16.107 -4.890 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -16.876 -3.845 -1.210 1.00 0.00 H new ATOM 252 N ASP A 168 -12.879 -4.734 -2.826 1.00 0.00 N ATOM 253 CA ASP A 168 -12.265 -5.994 -3.200 1.00 0.00 C ATOM 254 C ASP A 168 -11.039 -6.153 -2.354 1.00 0.00 C ATOM 255 O ASP A 168 -9.983 -5.568 -2.622 1.00 0.00 O ATOM 256 CB ASP A 168 -11.925 -6.060 -4.690 1.00 0.00 C ATOM 257 CG ASP A 168 -11.541 -7.461 -5.133 1.00 0.00 C ATOM 258 OD1 ASP A 168 -10.396 -7.866 -4.955 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.407 -8.187 -5.675 1.00 0.00 O ATOM 0 H ASP A 168 -12.697 -3.965 -3.470 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.966 -6.811 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -12.782 -5.720 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.104 -5.376 -4.903 1.00 0.00 H new ATOM 264 N LYS A 169 -11.219 -6.886 -1.290 1.00 0.00 N ATOM 265 CA LYS A 169 -10.244 -7.043 -0.254 1.00 0.00 C ATOM 266 C LYS A 169 -8.940 -7.641 -0.746 1.00 0.00 C ATOM 267 O LYS A 169 -7.872 -7.232 -0.292 1.00 0.00 O ATOM 268 CB LYS A 169 -10.851 -7.836 0.902 1.00 0.00 C ATOM 269 CG LYS A 169 -9.927 -8.070 2.063 1.00 0.00 C ATOM 270 CD LYS A 169 -10.676 -8.656 3.228 1.00 0.00 C ATOM 271 CE LYS A 169 -9.751 -8.968 4.383 1.00 0.00 C ATOM 272 NZ LYS A 169 -8.794 -10.052 4.062 1.00 0.00 N ATOM 0 H LYS A 169 -12.079 -7.407 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.974 -6.050 0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.735 -7.308 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.187 -8.801 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.124 -8.744 1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.462 -7.130 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.445 -7.957 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.186 -9.566 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.199 -8.069 4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -10.343 -9.255 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.324 -10.369 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -9.305 -10.850 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.081 -9.699 3.393 1.00 0.00 H new ATOM 286 N GLU A 170 -9.009 -8.571 -1.681 1.00 0.00 N ATOM 287 CA GLU A 170 -7.799 -9.166 -2.205 1.00 0.00 C ATOM 288 C GLU A 170 -7.078 -8.208 -3.156 1.00 0.00 C ATOM 289 O GLU A 170 -5.846 -8.212 -3.221 1.00 0.00 O ATOM 290 CB GLU A 170 -8.038 -10.548 -2.833 1.00 0.00 C ATOM 291 CG GLU A 170 -8.993 -10.564 -4.002 1.00 0.00 C ATOM 292 CD GLU A 170 -9.211 -11.948 -4.550 1.00 0.00 C ATOM 293 OE1 GLU A 170 -10.120 -12.656 -4.064 1.00 0.00 O ATOM 294 OE2 GLU A 170 -8.491 -12.350 -5.484 1.00 0.00 O ATOM 0 H GLU A 170 -9.876 -8.924 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.137 -9.341 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -7.080 -10.951 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -8.419 -11.219 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -9.950 -10.145 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -8.606 -9.921 -4.792 1.00 0.00 H new ATOM 301 N ALA A 171 -7.837 -7.368 -3.873 1.00 0.00 N ATOM 302 CA ALA A 171 -7.231 -6.355 -4.736 1.00 0.00 C ATOM 303 C ALA A 171 -6.473 -5.355 -3.889 1.00 0.00 C ATOM 304 O ALA A 171 -5.307 -5.057 -4.160 1.00 0.00 O ATOM 305 CB ALA A 171 -8.272 -5.633 -5.578 1.00 0.00 C ATOM 0 H ALA A 171 -8.857 -7.372 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.547 -6.861 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.781 -4.889 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.792 -6.353 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.990 -5.139 -4.924 1.00 0.00 H new ATOM 311 N ALA A 172 -7.136 -4.856 -2.844 1.00 0.00 N ATOM 312 CA ALA A 172 -6.514 -3.932 -1.900 1.00 0.00 C ATOM 313 C ALA A 172 -5.298 -4.588 -1.261 1.00 0.00 C ATOM 314 O ALA A 172 -4.236 -3.968 -1.125 1.00 0.00 O ATOM 315 CB ALA A 172 -7.510 -3.518 -0.827 1.00 0.00 C ATOM 0 H ALA A 172 -8.108 -5.079 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.196 -3.040 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.030 -2.829 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.364 -3.027 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.850 -4.401 -0.286 1.00 0.00 H new ATOM 321 N GLN A 173 -5.459 -5.865 -0.935 1.00 0.00 N ATOM 322 CA GLN A 173 -4.421 -6.675 -0.321 1.00 0.00 C ATOM 323 C GLN A 173 -3.187 -6.719 -1.200 1.00 0.00 C ATOM 324 O GLN A 173 -2.108 -6.368 -0.761 1.00 0.00 O ATOM 325 CB GLN A 173 -4.936 -8.091 -0.086 1.00 0.00 C ATOM 326 CG GLN A 173 -4.003 -8.989 0.698 1.00 0.00 C ATOM 327 CD GLN A 173 -4.571 -10.376 0.882 1.00 0.00 C ATOM 328 OE1 GLN A 173 -5.786 -10.571 0.939 1.00 0.00 O ATOM 329 NE2 GLN A 173 -3.715 -11.348 0.957 1.00 0.00 N ATOM 0 H GLN A 173 -6.330 -6.372 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.153 -6.224 0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.888 -8.032 0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.135 -8.554 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.045 -9.055 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.808 -8.545 1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -2.715 -11.152 0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -4.042 -12.308 1.067 1.00 0.00 H new ATOM 338 N LEU A 174 -3.350 -7.118 -2.460 1.00 0.00 N ATOM 339 CA LEU A 174 -2.219 -7.224 -3.358 1.00 0.00 C ATOM 340 C LEU A 174 -1.590 -5.866 -3.671 1.00 0.00 C ATOM 341 O LEU A 174 -0.378 -5.778 -3.837 1.00 0.00 O ATOM 342 CB LEU A 174 -2.559 -8.061 -4.614 1.00 0.00 C ATOM 343 CG LEU A 174 -3.727 -7.597 -5.499 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.314 -6.518 -6.487 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.367 -8.776 -6.197 1.00 0.00 C ATOM 0 H LEU A 174 -4.248 -7.369 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.441 -7.779 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.666 -8.105 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -2.771 -9.079 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.471 -7.143 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.175 -6.226 -7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.940 -5.651 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.530 -6.903 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.192 -8.427 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.626 -9.274 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.745 -9.478 -5.453 1.00 0.00 H new ATOM 357 N ARG A 175 -2.396 -4.805 -3.700 1.00 0.00 N ATOM 358 CA ARG A 175 -1.857 -3.470 -3.927 1.00 0.00 C ATOM 359 C ARG A 175 -1.008 -3.033 -2.738 1.00 0.00 C ATOM 360 O ARG A 175 0.067 -2.463 -2.904 1.00 0.00 O ATOM 361 CB ARG A 175 -2.952 -2.439 -4.233 1.00 0.00 C ATOM 362 CG ARG A 175 -3.731 -2.700 -5.517 1.00 0.00 C ATOM 363 CD ARG A 175 -2.817 -2.737 -6.734 1.00 0.00 C ATOM 364 NE ARG A 175 -3.559 -2.982 -7.974 1.00 0.00 N ATOM 365 CZ ARG A 175 -3.090 -3.667 -9.033 1.00 0.00 C ATOM 366 NH1 ARG A 175 -1.866 -4.210 -9.010 1.00 0.00 N ATOM 367 NH2 ARG A 175 -3.845 -3.801 -10.111 1.00 0.00 N ATOM 0 H ARG A 175 -3.407 -4.844 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.224 -3.521 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.652 -2.414 -3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.495 -1.451 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.263 -3.647 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.483 -1.922 -5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -2.282 -1.791 -6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -2.068 -3.517 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.504 -2.604 -8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.278 -4.107 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.522 -4.727 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -4.777 -3.386 -10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.496 -4.319 -10.917 1.00 0.00 H new ATOM 381 N GLU A 176 -1.471 -3.343 -1.554 1.00 0.00 N ATOM 382 CA GLU A 176 -0.735 -3.041 -0.350 1.00 0.00 C ATOM 383 C GLU A 176 0.514 -3.920 -0.281 1.00 0.00 C ATOM 384 O GLU A 176 1.630 -3.436 -0.033 1.00 0.00 O ATOM 385 CB GLU A 176 -1.620 -3.288 0.870 1.00 0.00 C ATOM 386 CG GLU A 176 -0.956 -3.001 2.198 1.00 0.00 C ATOM 387 CD GLU A 176 -1.861 -3.309 3.349 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.004 -4.514 3.710 1.00 0.00 O ATOM 389 OE2 GLU A 176 -2.457 -2.381 3.921 1.00 0.00 O ATOM 0 H GLU A 176 -2.364 -3.810 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.433 -1.994 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.514 -2.670 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.948 -4.327 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.044 -3.592 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -0.661 -1.952 2.238 1.00 0.00 H new ATOM 396 N GLU A 177 0.319 -5.201 -0.554 1.00 0.00 N ATOM 397 CA GLU A 177 1.361 -6.193 -0.478 1.00 0.00 C ATOM 398 C GLU A 177 2.493 -5.929 -1.458 1.00 0.00 C ATOM 399 O GLU A 177 3.663 -6.117 -1.109 1.00 0.00 O ATOM 400 CB GLU A 177 0.799 -7.576 -0.660 1.00 0.00 C ATOM 401 CG GLU A 177 1.784 -8.683 -0.379 1.00 0.00 C ATOM 402 CD GLU A 177 1.154 -10.034 -0.466 1.00 0.00 C ATOM 403 OE1 GLU A 177 0.467 -10.434 0.490 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.333 -10.727 -1.488 1.00 0.00 O ATOM 0 H GLU A 177 -0.585 -5.579 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 177 1.791 -6.123 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -0.063 -7.696 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 177 0.437 -7.678 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 177 2.609 -8.622 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 177 2.209 -8.545 0.615 1.00 0.00 H new ATOM 411 N ARG A 178 2.175 -5.474 -2.676 1.00 0.00 N ATOM 412 CA ARG A 178 3.225 -5.151 -3.611 1.00 0.00 C ATOM 413 C ARG A 178 4.082 -4.007 -3.075 1.00 0.00 C ATOM 414 O ARG A 178 5.290 -4.059 -3.158 1.00 0.00 O ATOM 415 CB ARG A 178 2.710 -4.864 -5.023 1.00 0.00 C ATOM 416 CG ARG A 178 1.709 -3.751 -5.115 1.00 0.00 C ATOM 417 CD ARG A 178 1.398 -3.400 -6.543 1.00 0.00 C ATOM 418 NE ARG A 178 2.528 -2.736 -7.206 1.00 0.00 N ATOM 419 CZ ARG A 178 2.781 -2.711 -8.529 1.00 0.00 C ATOM 420 NH1 ARG A 178 2.073 -3.455 -9.376 1.00 0.00 N ATOM 421 NH2 ARG A 178 3.774 -1.953 -8.992 1.00 0.00 N ATOM 0 H ARG A 178 1.225 -5.329 -3.017 1.00 0.00 H new ATOM 0 HA ARG A 178 3.851 -6.038 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.560 -4.623 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.259 -5.773 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.792 -4.043 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.094 -2.871 -4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.138 -4.306 -7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.525 -2.748 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 178 3.188 -2.244 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.326 -4.055 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 178 2.277 -3.425 -10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 178 4.335 -1.398 -8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 178 3.973 -1.928 -9.992 1.00 0.00 H new ATOM 435 N LEU A 179 3.453 -3.019 -2.455 1.00 0.00 N ATOM 436 CA LEU A 179 4.203 -1.920 -1.857 1.00 0.00 C ATOM 437 C LEU A 179 5.030 -2.395 -0.675 1.00 0.00 C ATOM 438 O LEU A 179 6.135 -1.930 -0.477 1.00 0.00 O ATOM 439 CB LEU A 179 3.309 -0.724 -1.476 1.00 0.00 C ATOM 440 CG LEU A 179 3.012 0.313 -2.583 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.290 1.010 -3.023 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.321 -0.316 -3.781 1.00 0.00 C ATOM 0 H LEU A 179 2.440 -2.954 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 179 4.888 -1.559 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.358 -1.114 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.778 -0.203 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 179 2.332 1.051 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.059 1.736 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 179 4.737 1.523 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 179 4.992 0.272 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.131 0.449 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 179 2.960 -1.091 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 179 1.375 -0.757 -3.465 1.00 0.00 H new ATOM 454 N ARG A 180 4.502 -3.356 0.081 1.00 0.00 N ATOM 455 CA ARG A 180 5.236 -3.937 1.211 1.00 0.00 C ATOM 456 C ARG A 180 6.532 -4.585 0.708 1.00 0.00 C ATOM 457 O ARG A 180 7.617 -4.325 1.220 1.00 0.00 O ATOM 458 CB ARG A 180 4.406 -5.032 1.925 1.00 0.00 C ATOM 459 CG ARG A 180 3.043 -4.625 2.505 1.00 0.00 C ATOM 460 CD ARG A 180 3.137 -3.594 3.624 1.00 0.00 C ATOM 461 NE ARG A 180 3.475 -2.241 3.150 1.00 0.00 N ATOM 462 CZ ARG A 180 3.880 -1.241 3.953 1.00 0.00 C ATOM 463 NH1 ARG A 180 4.092 -1.468 5.248 1.00 0.00 N ATOM 464 NH2 ARG A 180 4.081 -0.021 3.463 1.00 0.00 N ATOM 0 H ARG A 180 3.572 -3.750 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 180 5.447 -3.129 1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.241 -5.844 1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.010 -5.435 2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 180 2.422 -4.223 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 180 2.539 -5.514 2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 180 2.185 -3.557 4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 180 3.890 -3.917 4.343 1.00 0.00 H new ATOM 0 HE ARG A 180 3.397 -2.051 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.947 -2.402 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 180 4.399 -0.708 5.855 1.00 0.00 H new ATOM 0 HH21 ARG A 180 3.928 0.162 2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 180 4.388 0.732 4.079 1.00 0.00 H new ATOM 478 N GLN A 181 6.398 -5.400 -0.328 1.00 0.00 N ATOM 479 CA GLN A 181 7.510 -6.166 -0.850 1.00 0.00 C ATOM 480 C GLN A 181 8.456 -5.349 -1.723 1.00 0.00 C ATOM 481 O GLN A 181 9.658 -5.537 -1.664 1.00 0.00 O ATOM 482 CB GLN A 181 7.011 -7.381 -1.608 1.00 0.00 C ATOM 483 CG GLN A 181 6.214 -7.068 -2.848 1.00 0.00 C ATOM 484 CD GLN A 181 5.841 -8.294 -3.620 1.00 0.00 C ATOM 485 OE1 GLN A 181 6.570 -8.722 -4.503 1.00 0.00 O ATOM 486 NE2 GLN A 181 4.719 -8.866 -3.305 1.00 0.00 N ATOM 0 H GLN A 181 5.519 -5.546 -0.825 1.00 0.00 H new ATOM 0 HA GLN A 181 8.090 -6.487 0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.868 -7.994 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.395 -7.982 -0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.308 -6.531 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.793 -6.403 -3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 181 4.139 -8.477 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 181 4.417 -9.705 -3.801 1.00 0.00 H new ATOM 495 N TYR A 182 7.927 -4.470 -2.544 1.00 0.00 N ATOM 496 CA TYR A 182 8.744 -3.696 -3.411 1.00 0.00 C ATOM 497 C TYR A 182 9.533 -2.653 -2.665 1.00 0.00 C ATOM 498 O TYR A 182 10.713 -2.480 -2.931 1.00 0.00 O ATOM 499 CB TYR A 182 7.955 -3.111 -4.566 1.00 0.00 C ATOM 500 CG TYR A 182 7.485 -4.142 -5.585 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.340 -5.142 -6.040 1.00 0.00 C ATOM 502 CD2 TYR A 182 6.196 -4.108 -6.101 1.00 0.00 C ATOM 503 CE1 TYR A 182 7.921 -6.073 -6.964 1.00 0.00 C ATOM 504 CE2 TYR A 182 5.773 -5.039 -7.029 1.00 0.00 C ATOM 505 CZ TYR A 182 6.638 -6.019 -7.456 1.00 0.00 C ATOM 506 OH TYR A 182 6.215 -6.958 -8.376 1.00 0.00 O ATOM 0 H TYR A 182 6.927 -4.283 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 182 9.473 -4.377 -3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.086 -2.586 -4.169 1.00 0.00 H new ATOM 0 HB3 TYR A 182 8.571 -2.369 -5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 182 9.350 -5.188 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 182 5.512 -3.340 -5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 182 8.598 -6.844 -7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 182 4.766 -4.998 -7.418 1.00 0.00 H new ATOM 0 HH TYR A 182 5.283 -6.779 -8.621 1.00 0.00 H new ATOM 516 N ALA A 183 8.917 -2.008 -1.691 1.00 0.00 N ATOM 517 CA ALA A 183 9.633 -1.028 -0.891 1.00 0.00 C ATOM 518 C ALA A 183 10.670 -1.728 -0.023 1.00 0.00 C ATOM 519 O ALA A 183 11.634 -1.119 0.421 1.00 0.00 O ATOM 520 CB ALA A 183 8.683 -0.211 -0.047 1.00 0.00 C ATOM 0 H ALA A 183 7.938 -2.141 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 183 10.145 -0.339 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.248 0.513 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.982 0.315 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.133 -0.871 0.624 1.00 0.00 H new ATOM 526 N GLU A 184 10.444 -3.006 0.229 1.00 0.00 N ATOM 527 CA GLU A 184 11.392 -3.837 0.924 1.00 0.00 C ATOM 528 C GLU A 184 12.567 -4.151 -0.004 1.00 0.00 C ATOM 529 O GLU A 184 13.681 -3.680 0.197 1.00 0.00 O ATOM 530 CB GLU A 184 10.737 -5.157 1.316 1.00 0.00 C ATOM 531 CG GLU A 184 11.656 -6.108 2.052 1.00 0.00 C ATOM 532 CD GLU A 184 11.264 -7.538 1.851 1.00 0.00 C ATOM 533 OE1 GLU A 184 10.196 -7.955 2.340 1.00 0.00 O ATOM 534 OE2 GLU A 184 12.018 -8.279 1.185 1.00 0.00 O ATOM 0 H GLU A 184 9.591 -3.492 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 184 11.734 -3.309 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.870 -4.948 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.368 -5.649 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.680 -5.961 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.641 -5.875 3.117 1.00 0.00 H new ATOM 541 N LYS A 185 12.265 -4.906 -1.062 1.00 0.00 N ATOM 542 CA LYS A 185 13.254 -5.441 -1.993 1.00 0.00 C ATOM 543 C LYS A 185 14.064 -4.373 -2.708 1.00 0.00 C ATOM 544 O LYS A 185 15.239 -4.575 -2.992 1.00 0.00 O ATOM 545 CB LYS A 185 12.602 -6.422 -2.993 1.00 0.00 C ATOM 546 CG LYS A 185 12.047 -7.684 -2.325 1.00 0.00 C ATOM 547 CD LYS A 185 11.405 -8.678 -3.308 1.00 0.00 C ATOM 548 CE LYS A 185 10.127 -8.139 -3.956 1.00 0.00 C ATOM 549 NZ LYS A 185 9.422 -9.190 -4.734 1.00 0.00 N ATOM 0 H LYS A 185 11.307 -5.166 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 185 13.972 -5.992 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 185 11.795 -5.912 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.339 -6.710 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 185 12.854 -8.186 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 185 11.305 -7.393 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 185 12.125 -8.925 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 185 11.176 -9.604 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 185 9.463 -7.750 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 185 10.375 -7.305 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 8.395 -9.039 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 9.718 -9.142 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 9.659 -10.126 -4.347 1.00 0.00 H new ATOM 563 N LYS A 186 13.463 -3.244 -2.986 1.00 0.00 N ATOM 564 CA LYS A 186 14.171 -2.180 -3.675 1.00 0.00 C ATOM 565 C LYS A 186 15.006 -1.323 -2.727 1.00 0.00 C ATOM 566 O LYS A 186 15.921 -0.620 -3.172 1.00 0.00 O ATOM 567 CB LYS A 186 13.232 -1.291 -4.518 1.00 0.00 C ATOM 568 CG LYS A 186 12.775 -1.874 -5.869 1.00 0.00 C ATOM 569 CD LYS A 186 11.954 -3.145 -5.740 1.00 0.00 C ATOM 570 CE LYS A 186 11.467 -3.631 -7.093 1.00 0.00 C ATOM 571 NZ LYS A 186 12.575 -3.890 -8.021 1.00 0.00 N ATOM 0 H LYS A 186 12.493 -3.033 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 186 14.854 -2.683 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.346 -1.068 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 186 13.736 -0.343 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 186 12.186 -1.124 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 186 13.653 -2.080 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 186 12.555 -3.922 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 186 11.100 -2.963 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 186 10.885 -4.543 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 186 10.799 -2.886 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 12.223 -4.421 -8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 12.979 -2.986 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 13.309 -4.446 -7.538 1.00 0.00 H new ATOM 585 N ALA A 187 14.744 -1.405 -1.438 1.00 0.00 N ATOM 586 CA ALA A 187 15.452 -0.569 -0.491 1.00 0.00 C ATOM 587 C ALA A 187 16.586 -1.306 0.197 1.00 0.00 C ATOM 588 O ALA A 187 16.385 -1.962 1.219 1.00 0.00 O ATOM 589 CB ALA A 187 14.513 0.062 0.524 1.00 0.00 C ATOM 0 H ALA A 187 14.055 -2.034 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 187 15.899 0.237 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.086 0.681 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.780 0.680 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.999 -0.722 1.080 1.00 0.00 H new ATOM 595 N LYS A 188 17.761 -1.222 -0.426 1.00 0.00 N ATOM 596 CA LYS A 188 19.038 -1.757 0.077 1.00 0.00 C ATOM 597 C LYS A 188 19.002 -3.253 0.448 1.00 0.00 C ATOM 598 O LYS A 188 19.256 -4.109 -0.410 1.00 0.00 O ATOM 599 CB LYS A 188 19.648 -0.908 1.223 1.00 0.00 C ATOM 600 CG LYS A 188 20.057 0.541 0.875 1.00 0.00 C ATOM 601 CD LYS A 188 18.859 1.467 0.669 1.00 0.00 C ATOM 602 CE LYS A 188 19.290 2.912 0.437 1.00 0.00 C ATOM 603 NZ LYS A 188 20.067 3.455 1.578 1.00 0.00 N ATOM 0 H LYS A 188 17.859 -0.762 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 188 19.706 -1.677 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 188 18.926 -0.871 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 188 20.529 -1.428 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 188 20.683 0.938 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 188 20.664 0.534 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 188 18.275 1.121 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 188 18.208 1.418 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 188 19.892 2.969 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 188 18.408 3.531 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 20.106 4.492 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 19.608 3.184 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 21.033 3.070 1.555 1.00 0.00 H new ATOM 617 N LYS A 189 18.668 -3.547 1.708 1.00 0.00 N ATOM 618 CA LYS A 189 18.620 -4.913 2.276 1.00 0.00 C ATOM 619 C LYS A 189 20.019 -5.548 2.397 1.00 0.00 C ATOM 620 O LYS A 189 20.977 -5.125 1.719 1.00 0.00 O ATOM 621 CB LYS A 189 17.697 -5.869 1.479 1.00 0.00 C ATOM 622 CG LYS A 189 16.228 -5.503 1.468 1.00 0.00 C ATOM 623 CD LYS A 189 15.393 -6.583 0.769 1.00 0.00 C ATOM 624 CE LYS A 189 15.421 -7.903 1.539 1.00 0.00 C ATOM 625 NZ LYS A 189 14.572 -8.941 0.921 1.00 0.00 N ATOM 0 H LYS A 189 18.415 -2.828 2.386 1.00 0.00 H new ATOM 0 HA LYS A 189 18.201 -4.784 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 189 18.050 -5.911 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 189 17.800 -6.872 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 189 15.875 -5.372 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 189 16.092 -4.549 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 189 14.363 -6.240 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 189 15.774 -6.742 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 189 16.448 -8.265 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 189 15.088 -7.729 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 14.450 -9.731 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 13.642 -8.537 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 15.025 -9.288 0.051 1.00 0.00 H new ATOM 639 N PRO A 190 20.186 -6.551 3.285 1.00 0.00 N ATOM 640 CA PRO A 190 21.414 -7.318 3.357 1.00 0.00 C ATOM 641 C PRO A 190 21.437 -8.360 2.237 1.00 0.00 C ATOM 642 O PRO A 190 21.130 -9.544 2.445 1.00 0.00 O ATOM 643 CB PRO A 190 21.369 -8.008 4.738 1.00 0.00 C ATOM 644 CG PRO A 190 20.109 -7.532 5.398 1.00 0.00 C ATOM 645 CD PRO A 190 19.223 -6.988 4.310 1.00 0.00 C ATOM 0 HA PRO A 190 22.304 -6.699 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 190 21.368 -9.093 4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 190 22.244 -7.747 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 190 19.616 -8.350 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 190 20.328 -6.763 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 190 18.542 -7.748 3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 190 18.609 -6.161 4.666 1.00 0.00 H new ATOM 653 N ALA A 191 21.689 -7.897 1.045 1.00 0.00 N ATOM 654 CA ALA A 191 21.716 -8.733 -0.125 1.00 0.00 C ATOM 655 C ALA A 191 22.930 -8.390 -0.946 1.00 0.00 C ATOM 656 O ALA A 191 23.443 -7.258 -0.861 1.00 0.00 O ATOM 657 CB ALA A 191 20.444 -8.530 -0.948 1.00 0.00 C ATOM 0 H ALA A 191 21.884 -6.914 0.855 1.00 0.00 H new ATOM 0 HA ALA A 191 21.765 -9.780 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 191 20.476 -9.168 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 191 19.575 -8.790 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 191 20.373 -7.487 -1.257 1.00 0.00 H new ATOM 663 N LEU A 192 23.404 -9.336 -1.696 1.00 0.00 N ATOM 664 CA LEU A 192 24.556 -9.150 -2.524 1.00 0.00 C ATOM 665 C LEU A 192 24.223 -9.657 -3.906 1.00 0.00 C ATOM 666 O LEU A 192 24.055 -8.832 -4.836 1.00 0.00 O ATOM 667 CB LEU A 192 25.750 -9.911 -1.947 1.00 0.00 C ATOM 668 CG LEU A 192 27.088 -9.714 -2.654 1.00 0.00 C ATOM 669 CD1 LEU A 192 27.566 -8.278 -2.510 1.00 0.00 C ATOM 670 CD2 LEU A 192 28.116 -10.676 -2.107 1.00 0.00 C ATOM 671 OXT LEU A 192 24.027 -10.882 -4.060 1.00 0.00 O ATOM 0 H LEU A 192 22.998 -10.270 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 192 24.824 -8.094 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 192 25.869 -9.619 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 192 25.513 -10.975 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 192 26.952 -9.920 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 192 28.521 -8.160 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 192 26.832 -7.604 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 192 27.688 -8.039 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 192 29.066 -10.524 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 192 28.248 -10.499 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 192 27.777 -11.700 -2.266 1.00 0.00 H new TER 683 LEU A 192