USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 500 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 133 THR OG1 : rot -33:sc= 0.148 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.104 K(o=0.044,f=-0.91) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 140 ASN : amide:sc= -0.025 K(o=-0.025,f=-0.9) USER MOD Single : A 144 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.82) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot -170:sc= -0.923 USER MOD Single : A 152 SER OG : rot -95:sc= 1.35 USER MOD Single : A 154 MET CE :methyl -159:sc= -0.747 (180deg=-2!) USER MOD Single : A 155 MET CE :methyl 180:sc=-0.00272 (180deg=-0.00272) USER MOD Single : A 156 LYS NZ :NH3+ -177:sc= -0.0133 (180deg=-0.0374) USER MOD Single : A 159 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.54) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 60:sc= -1.93 USER MOD Single : A 168 LYS NZ :NH3+ 173:sc= -0.327 (180deg=-0.398) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= -0.0112 K(o=-0.011,f=-0.77) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 180 THR OG1 : rot -33:sc= 1.16 USER MOD Single : A 185 MET CE :methyl -153:sc= -2.3 (180deg=-3.13!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 139:sc= -5.8! (180deg=-9.69!) USER MOD Single : A 190 THR OG1 : rot 43:sc= 0.898 USER MOD Single : A 192 MET CE :methyl -124:sc= -0.138 (180deg=-0.829) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 62.936 -1.216 -4.983 1.00 0.00 N ATOM 92 CA THR A 133 61.899 -0.897 -5.962 1.00 0.00 C ATOM 93 C THR A 133 61.222 -2.141 -6.505 1.00 0.00 C ATOM 94 O THR A 133 60.017 -2.141 -6.692 1.00 0.00 O ATOM 95 CB THR A 133 62.511 -0.101 -7.113 1.00 0.00 C ATOM 96 OG1 THR A 133 63.567 -0.849 -7.699 1.00 0.00 O ATOM 97 CG2 THR A 133 63.052 1.218 -6.569 1.00 0.00 C ATOM 0 HA THR A 133 61.138 -0.304 -5.456 1.00 0.00 H new ATOM 0 HB THR A 133 61.753 0.098 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.016 -1.378 -7.007 1.00 0.00 H new ATOM 0 HG21 THR A 133 63.491 1.794 -7.383 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.238 1.787 -6.119 1.00 0.00 H new ATOM 0 HG23 THR A 133 63.813 1.016 -5.815 1.00 0.00 H new ATOM 105 N GLN A 134 61.979 -3.219 -6.687 1.00 0.00 N ATOM 106 CA GLN A 134 61.424 -4.438 -7.283 1.00 0.00 C ATOM 107 C GLN A 134 60.174 -4.905 -6.531 1.00 0.00 C ATOM 108 O GLN A 134 59.153 -5.215 -7.150 1.00 0.00 O ATOM 109 CB GLN A 134 62.474 -5.548 -7.282 1.00 0.00 C ATOM 110 CG GLN A 134 63.611 -5.176 -8.236 1.00 0.00 C ATOM 111 CD GLN A 134 64.692 -6.254 -8.211 1.00 0.00 C ATOM 112 OE1 GLN A 134 64.943 -6.859 -7.169 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.349 -6.530 -9.304 1.00 0.00 N ATOM 0 H GLN A 134 62.966 -3.278 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 134 61.139 -4.210 -8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.863 -5.694 -6.274 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.022 -6.491 -7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.224 -5.062 -9.248 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.038 -4.215 -7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.139 -6.027 -10.166 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.073 -7.249 -9.296 1.00 0.00 H new ATOM 122 N LEU A 135 60.221 -4.857 -5.199 1.00 0.00 N ATOM 123 CA LEU A 135 59.097 -5.331 -4.394 1.00 0.00 C ATOM 124 C LEU A 135 57.835 -4.507 -4.635 1.00 0.00 C ATOM 125 O LEU A 135 56.794 -5.058 -4.998 1.00 0.00 O ATOM 126 CB LEU A 135 59.455 -5.239 -2.918 1.00 0.00 C ATOM 127 CG LEU A 135 60.582 -6.212 -2.595 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.086 -5.922 -1.185 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.049 -7.643 -2.665 1.00 0.00 C ATOM 0 H LEU A 135 61.012 -4.501 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 135 58.899 -6.362 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.760 -4.222 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.581 -5.467 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 135 61.396 -6.097 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 135 61.894 -6.611 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.455 -4.897 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.270 -6.050 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.853 -8.342 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.242 -7.766 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.672 -7.842 -3.668 1.00 0.00 H new ATOM 141 N PHE A 136 57.930 -3.188 -4.443 1.00 0.00 N ATOM 142 CA PHE A 136 56.801 -2.308 -4.750 1.00 0.00 C ATOM 143 C PHE A 136 56.615 -1.985 -6.232 1.00 0.00 C ATOM 144 O PHE A 136 55.479 -1.812 -6.675 1.00 0.00 O ATOM 145 CB PHE A 136 56.714 -1.071 -3.842 1.00 0.00 C ATOM 146 CG PHE A 136 57.998 -0.537 -3.264 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.983 0.094 -4.055 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.166 -0.630 -1.867 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.144 0.622 -3.430 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.320 -0.107 -1.250 1.00 0.00 C ATOM 151 CZ PHE A 136 60.311 0.520 -2.032 1.00 0.00 C ATOM 0 H PHE A 136 58.759 -2.714 -4.084 1.00 0.00 H new ATOM 0 HA PHE A 136 55.932 -2.917 -4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.243 -0.269 -4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.046 -1.309 -3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.855 0.174 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.405 -1.105 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.903 1.104 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.445 -0.186 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.197 0.922 -1.562 1.00 0.00 H new ATOM 161 N ALA A 137 57.684 -2.006 -7.021 1.00 0.00 N ATOM 162 CA ALA A 137 57.547 -1.782 -8.469 1.00 0.00 C ATOM 163 C ALA A 137 56.610 -2.829 -9.089 1.00 0.00 C ATOM 164 O ALA A 137 56.011 -2.595 -10.137 1.00 0.00 O ATOM 165 CB ALA A 137 58.909 -1.840 -9.164 1.00 0.00 C ATOM 0 H ALA A 137 58.638 -2.171 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 137 57.122 -0.789 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.779 -1.671 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.561 -1.070 -8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.358 -2.820 -9.003 1.00 0.00 H new ATOM 171 N ASP A 138 56.497 -3.985 -8.427 1.00 0.00 N ATOM 172 CA ASP A 138 55.449 -4.965 -8.740 1.00 0.00 C ATOM 173 C ASP A 138 54.058 -4.310 -8.691 1.00 0.00 C ATOM 174 O ASP A 138 53.821 -3.423 -7.869 1.00 0.00 O ATOM 175 CB ASP A 138 55.515 -6.106 -7.707 1.00 0.00 C ATOM 176 CG ASP A 138 54.570 -7.259 -8.062 1.00 0.00 C ATOM 177 OD1 ASP A 138 54.031 -7.262 -9.153 1.00 0.00 O ATOM 178 OD2 ASP A 138 54.399 -8.128 -7.223 1.00 0.00 O ATOM 0 H ASP A 138 57.119 -4.266 -7.669 1.00 0.00 H new ATOM 0 HA ASP A 138 55.611 -5.352 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.537 -6.481 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 138 55.258 -5.718 -6.721 1.00 0.00 H new ATOM 183 N PRO A 139 53.150 -4.713 -9.553 1.00 0.00 N ATOM 184 CA PRO A 139 51.696 -4.423 -9.352 1.00 0.00 C ATOM 185 C PRO A 139 51.149 -5.113 -8.107 1.00 0.00 C ATOM 186 O PRO A 139 51.770 -6.038 -7.581 1.00 0.00 O ATOM 187 CB PRO A 139 51.009 -4.951 -10.623 1.00 0.00 C ATOM 188 CG PRO A 139 52.029 -5.788 -11.316 1.00 0.00 C ATOM 189 CD PRO A 139 53.384 -5.213 -10.920 1.00 0.00 C ATOM 0 HA PRO A 139 51.517 -3.359 -9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.124 -5.538 -10.375 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.679 -4.130 -11.259 1.00 0.00 H new ATOM 0 HG2 PRO A 139 51.946 -6.833 -11.016 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.892 -5.755 -12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.166 -5.972 -10.943 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.695 -4.414 -11.593 1.00 0.00 H new ATOM 197 N ASN A 140 49.947 -4.697 -7.693 1.00 0.00 N ATOM 198 CA ASN A 140 49.400 -4.953 -6.341 1.00 0.00 C ATOM 199 C ASN A 140 50.408 -5.516 -5.326 1.00 0.00 C ATOM 200 O ASN A 140 50.407 -6.717 -5.040 1.00 0.00 O ATOM 201 CB ASN A 140 48.217 -5.928 -6.455 1.00 0.00 C ATOM 202 CG ASN A 140 47.192 -5.417 -7.467 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.044 -4.208 -7.650 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.488 -6.274 -8.154 1.00 0.00 N ATOM 0 H ASN A 140 49.313 -4.166 -8.290 1.00 0.00 H new ATOM 0 HA ASN A 140 49.099 -3.979 -5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.577 -6.911 -6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.744 -6.049 -5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.814 -5.943 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.612 -7.275 -8.001 1.00 0.00 H new ATOM 211 N LEU A 141 51.286 -4.660 -4.802 1.00 0.00 N ATOM 212 CA LEU A 141 51.935 -4.964 -3.526 1.00 0.00 C ATOM 213 C LEU A 141 51.408 -4.046 -2.409 1.00 0.00 C ATOM 214 O LEU A 141 51.509 -4.385 -1.229 1.00 0.00 O ATOM 215 CB LEU A 141 53.456 -4.793 -3.663 1.00 0.00 C ATOM 216 CG LEU A 141 54.162 -5.295 -2.395 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.062 -6.826 -2.305 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.636 -4.874 -2.425 1.00 0.00 C ATOM 0 H LEU A 141 51.559 -3.774 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 141 51.705 -5.996 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.815 -5.346 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.698 -3.744 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 141 53.678 -4.857 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.566 -7.171 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.013 -7.121 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.536 -7.274 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.135 -5.231 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.119 -5.304 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.703 -3.787 -2.470 1.00 0.00 H new ATOM 230 N ILE A 142 50.717 -2.961 -2.782 1.00 0.00 N ATOM 231 CA ILE A 142 50.158 -2.050 -1.786 1.00 0.00 C ATOM 232 C ILE A 142 49.053 -2.735 -0.973 1.00 0.00 C ATOM 233 O ILE A 142 48.891 -2.441 0.210 1.00 0.00 O ATOM 234 CB ILE A 142 49.659 -0.743 -2.458 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.868 0.187 -2.708 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.646 -0.012 -1.554 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.428 1.429 -3.500 1.00 0.00 C ATOM 0 H ILE A 142 50.536 -2.699 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 142 50.948 -1.777 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 142 49.169 -0.999 -3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.306 0.490 -1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.641 -0.349 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.311 0.901 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.789 -0.660 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.121 0.241 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.289 2.076 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.011 1.120 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.671 1.972 -2.934 1.00 0.00 H new ATOM 249 N GLU A 143 48.323 -3.677 -1.577 1.00 0.00 N ATOM 250 CA GLU A 143 47.165 -4.271 -0.894 1.00 0.00 C ATOM 251 C GLU A 143 47.600 -5.039 0.354 1.00 0.00 C ATOM 252 O GLU A 143 47.106 -4.795 1.455 1.00 0.00 O ATOM 253 CB GLU A 143 46.453 -5.233 -1.844 1.00 0.00 C ATOM 254 CG GLU A 143 45.761 -4.436 -2.952 1.00 0.00 C ATOM 255 CD GLU A 143 44.967 -5.372 -3.861 1.00 0.00 C ATOM 256 OE1 GLU A 143 45.428 -6.478 -4.097 1.00 0.00 O ATOM 257 OE2 GLU A 143 43.907 -4.967 -4.312 1.00 0.00 O ATOM 0 H GLU A 143 48.504 -4.039 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 143 46.494 -3.466 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.170 -5.931 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.721 -5.826 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.095 -3.693 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.503 -3.893 -3.537 1.00 0.00 H new ATOM 264 N ASN A 144 48.611 -5.890 0.196 1.00 0.00 N ATOM 265 CA ASN A 144 49.217 -6.580 1.337 1.00 0.00 C ATOM 266 C ASN A 144 49.682 -5.573 2.392 1.00 0.00 C ATOM 267 O ASN A 144 49.554 -5.807 3.594 1.00 0.00 O ATOM 268 CB ASN A 144 50.413 -7.406 0.854 1.00 0.00 C ATOM 269 CG ASN A 144 49.975 -8.397 -0.224 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.833 -8.861 -0.219 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.808 -8.719 -1.177 1.00 0.00 N ATOM 0 H ASN A 144 49.028 -6.119 -0.706 1.00 0.00 H new ATOM 0 HA ASN A 144 48.471 -7.235 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.184 -6.745 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.855 -7.943 1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.514 -9.355 -1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.753 -8.334 -1.180 1.00 0.00 H new ATOM 278 N LEU A 145 50.219 -4.456 1.916 1.00 0.00 N ATOM 279 CA LEU A 145 50.644 -3.373 2.798 1.00 0.00 C ATOM 280 C LEU A 145 49.466 -2.735 3.536 1.00 0.00 C ATOM 281 O LEU A 145 49.667 -2.074 4.553 1.00 0.00 O ATOM 282 CB LEU A 145 51.434 -2.321 2.021 1.00 0.00 C ATOM 283 CG LEU A 145 52.654 -2.985 1.368 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.417 -1.946 0.546 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.582 -3.566 2.446 1.00 0.00 C ATOM 0 H LEU A 145 50.371 -4.275 0.924 1.00 0.00 H new ATOM 0 HA LEU A 145 51.297 -3.809 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.802 -1.864 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.754 -1.522 2.690 1.00 0.00 H new ATOM 0 HG LEU A 145 52.315 -3.793 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.284 -2.415 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.764 -1.543 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.748 -1.138 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.444 -4.034 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.921 -2.766 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.040 -4.311 3.029 1.00 0.00 H new ATOM 297 N LYS A 146 48.267 -2.811 2.960 1.00 0.00 N ATOM 298 CA LYS A 146 47.078 -2.294 3.639 1.00 0.00 C ATOM 299 C LYS A 146 46.839 -3.014 4.975 1.00 0.00 C ATOM 300 O LYS A 146 46.622 -2.371 6.003 1.00 0.00 O ATOM 301 CB LYS A 146 45.834 -2.465 2.761 1.00 0.00 C ATOM 302 CG LYS A 146 46.001 -1.673 1.464 1.00 0.00 C ATOM 303 CD LYS A 146 44.685 -1.685 0.684 1.00 0.00 C ATOM 304 CE LYS A 146 43.674 -0.769 1.375 1.00 0.00 C ATOM 305 NZ LYS A 146 42.452 -0.651 0.531 1.00 0.00 N ATOM 0 H LYS A 146 48.093 -3.218 2.041 1.00 0.00 H new ATOM 0 HA LYS A 146 47.254 -1.235 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.679 -3.520 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.950 -2.120 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.294 -0.647 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.798 -2.108 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.854 -1.351 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.293 -2.700 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.415 -1.170 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 146 44.112 0.216 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.764 -0.028 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.707 -0.250 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.031 -1.592 0.396 1.00 0.00 H new ATOM 319 N LYS A 147 46.849 -4.352 4.946 1.00 0.00 N ATOM 320 CA LYS A 147 46.293 -5.117 6.071 1.00 0.00 C ATOM 321 C LYS A 147 47.259 -5.334 7.256 1.00 0.00 C ATOM 322 O LYS A 147 46.855 -5.137 8.404 1.00 0.00 O ATOM 323 CB LYS A 147 45.821 -6.481 5.566 1.00 0.00 C ATOM 324 CG LYS A 147 44.671 -6.290 4.574 1.00 0.00 C ATOM 325 CD LYS A 147 44.042 -7.647 4.249 1.00 0.00 C ATOM 326 CE LYS A 147 45.003 -8.463 3.381 1.00 0.00 C ATOM 327 NZ LYS A 147 44.253 -9.562 2.708 1.00 0.00 N ATOM 0 H LYS A 147 47.223 -4.914 4.182 1.00 0.00 H new ATOM 0 HA LYS A 147 45.473 -4.513 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.646 -7.008 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.494 -7.097 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.920 -5.622 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 147 45.039 -5.820 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 147 43.820 -8.186 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.096 -7.505 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 147 45.473 -7.820 2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 147 45.803 -8.877 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 44.905 -10.117 2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 43.825 -10.180 3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 43.505 -9.156 2.110 1.00 0.00 H new ATOM 341 N ASN A 148 48.523 -5.725 7.004 1.00 0.00 N ATOM 342 CA ASN A 148 49.369 -6.182 8.131 1.00 0.00 C ATOM 343 C ASN A 148 50.432 -5.167 8.603 1.00 0.00 C ATOM 344 O ASN A 148 50.929 -5.294 9.724 1.00 0.00 O ATOM 345 CB ASN A 148 50.083 -7.472 7.701 1.00 0.00 C ATOM 346 CG ASN A 148 50.838 -8.094 8.875 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.238 -8.753 9.724 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.129 -7.918 8.970 1.00 0.00 N ATOM 0 H ASN A 148 48.965 -5.737 6.085 1.00 0.00 H new ATOM 0 HA ASN A 148 48.698 -6.327 8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.354 -8.184 7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.778 -7.255 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.644 -8.327 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.622 -7.371 8.264 1.00 0.00 H new ATOM 355 N PRO A 149 50.793 -4.186 7.810 1.00 0.00 N ATOM 356 CA PRO A 149 51.803 -3.179 8.240 1.00 0.00 C ATOM 357 C PRO A 149 51.208 -1.802 8.522 1.00 0.00 C ATOM 358 O PRO A 149 50.250 -1.380 7.874 1.00 0.00 O ATOM 359 CB PRO A 149 52.765 -3.126 7.061 1.00 0.00 C ATOM 360 CG PRO A 149 51.945 -3.467 5.861 1.00 0.00 C ATOM 361 CD PRO A 149 50.656 -4.144 6.350 1.00 0.00 C ATOM 0 HA PRO A 149 52.271 -3.459 9.183 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.211 -2.136 6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.584 -3.834 7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.712 -2.568 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.498 -4.132 5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.773 -3.579 6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.551 -5.145 5.932 1.00 0.00 H new ATOM 369 N LYS A 150 51.838 -1.080 9.452 1.00 0.00 N ATOM 370 CA LYS A 150 51.460 0.310 9.740 1.00 0.00 C ATOM 371 C LYS A 150 51.572 1.188 8.482 1.00 0.00 C ATOM 372 O LYS A 150 50.962 2.253 8.409 1.00 0.00 O ATOM 373 CB LYS A 150 52.357 0.898 10.838 1.00 0.00 C ATOM 374 CG LYS A 150 52.397 -0.040 12.049 1.00 0.00 C ATOM 375 CD LYS A 150 53.080 0.665 13.224 1.00 0.00 C ATOM 376 CE LYS A 150 54.578 0.801 12.940 1.00 0.00 C ATOM 377 NZ LYS A 150 55.211 1.630 14.004 1.00 0.00 N ATOM 0 H LYS A 150 52.610 -1.432 10.018 1.00 0.00 H new ATOM 0 HA LYS A 150 50.424 0.301 10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.365 1.048 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.982 1.876 11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.385 -0.334 12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.936 -0.953 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 150 52.638 1.649 13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.923 0.099 14.142 1.00 0.00 H new ATOM 0 HE2 LYS A 150 55.044 -0.184 12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 150 54.734 1.261 11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 56.229 1.723 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 54.773 2.573 14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 55.073 1.173 14.928 1.00 0.00 H new ATOM 391 N THR A 151 52.325 0.718 7.479 1.00 0.00 N ATOM 392 CA THR A 151 52.515 1.464 6.229 1.00 0.00 C ATOM 393 C THR A 151 51.160 1.795 5.565 1.00 0.00 C ATOM 394 O THR A 151 51.028 2.780 4.824 1.00 0.00 O ATOM 395 CB THR A 151 53.375 0.622 5.271 1.00 0.00 C ATOM 396 OG1 THR A 151 52.687 -0.578 4.954 1.00 0.00 O ATOM 397 CG2 THR A 151 54.713 0.281 5.935 1.00 0.00 C ATOM 0 H THR A 151 52.813 -0.177 7.509 1.00 0.00 H new ATOM 0 HA THR A 151 53.016 2.406 6.454 1.00 0.00 H new ATOM 0 HB THR A 151 53.562 1.191 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.290 -1.184 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.317 -0.315 5.251 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.243 1.202 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.532 -0.286 6.848 1.00 0.00 H new ATOM 405 N SER A 152 50.126 1.034 5.926 1.00 0.00 N ATOM 406 CA SER A 152 48.804 1.212 5.329 1.00 0.00 C ATOM 407 C SER A 152 48.215 2.595 5.610 1.00 0.00 C ATOM 408 O SER A 152 47.308 3.040 4.900 1.00 0.00 O ATOM 409 CB SER A 152 47.865 0.152 5.891 1.00 0.00 C ATOM 410 OG SER A 152 48.091 0.018 7.286 1.00 0.00 O ATOM 0 H SER A 152 50.179 0.293 6.625 1.00 0.00 H new ATOM 0 HA SER A 152 48.913 1.114 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.828 0.432 5.704 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.033 -0.802 5.390 1.00 0.00 H new ATOM 0 HG SER A 152 48.722 -0.714 7.446 1.00 0.00 H new ATOM 416 N GLU A 153 48.762 3.305 6.600 1.00 0.00 N ATOM 417 CA GLU A 153 48.279 4.648 6.909 1.00 0.00 C ATOM 418 C GLU A 153 48.387 5.544 5.675 1.00 0.00 C ATOM 419 O GLU A 153 47.382 6.089 5.206 1.00 0.00 O ATOM 420 CB GLU A 153 49.093 5.242 8.059 1.00 0.00 C ATOM 421 CG GLU A 153 48.720 4.535 9.365 1.00 0.00 C ATOM 422 CD GLU A 153 49.299 5.288 10.563 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.412 5.779 10.455 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.619 5.363 11.572 1.00 0.00 O ATOM 0 H GLU A 153 49.526 2.978 7.191 1.00 0.00 H new ATOM 0 HA GLU A 153 47.233 4.587 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.159 5.127 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.898 6.311 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.636 4.473 9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 153 49.097 3.513 9.353 1.00 0.00 H new ATOM 431 N MET A 154 49.560 5.527 5.036 1.00 0.00 N ATOM 432 CA MET A 154 49.803 6.430 3.918 1.00 0.00 C ATOM 433 C MET A 154 48.895 6.095 2.749 1.00 0.00 C ATOM 434 O MET A 154 48.598 6.963 1.926 1.00 0.00 O ATOM 435 CB MET A 154 51.245 6.354 3.431 1.00 0.00 C ATOM 436 CG MET A 154 52.193 6.806 4.538 1.00 0.00 C ATOM 437 SD MET A 154 53.870 6.969 3.869 1.00 0.00 S ATOM 438 CE MET A 154 54.055 5.273 3.259 1.00 0.00 C ATOM 0 H MET A 154 50.338 4.911 5.270 1.00 0.00 H new ATOM 0 HA MET A 154 49.598 7.436 4.283 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.483 5.334 3.131 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.374 6.983 2.551 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.860 7.759 4.950 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.185 6.085 5.355 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.114 5.040 3.148 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.603 4.580 3.968 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.560 5.178 2.293 1.00 0.00 H new ATOM 448 N MET A 155 48.515 4.818 2.612 1.00 0.00 N ATOM 449 CA MET A 155 47.704 4.403 1.470 1.00 0.00 C ATOM 450 C MET A 155 46.300 5.007 1.534 1.00 0.00 C ATOM 451 O MET A 155 45.763 5.448 0.517 1.00 0.00 O ATOM 452 CB MET A 155 47.590 2.871 1.435 1.00 0.00 C ATOM 453 CG MET A 155 48.988 2.234 1.412 1.00 0.00 C ATOM 454 SD MET A 155 49.839 2.646 -0.135 1.00 0.00 S ATOM 455 CE MET A 155 51.523 2.306 0.433 1.00 0.00 C ATOM 0 H MET A 155 48.752 4.071 3.265 1.00 0.00 H new ATOM 0 HA MET A 155 48.197 4.762 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.037 2.520 2.307 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.027 2.561 0.555 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.571 2.589 2.262 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.904 1.152 1.512 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.226 2.498 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.759 2.952 1.279 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.600 1.263 0.741 1.00 0.00 H new ATOM 465 N LYS A 156 45.713 5.025 2.732 1.00 0.00 N ATOM 466 CA LYS A 156 44.285 5.308 2.866 1.00 0.00 C ATOM 467 C LYS A 156 43.990 6.809 2.951 1.00 0.00 C ATOM 468 O LYS A 156 42.850 7.228 2.741 1.00 0.00 O ATOM 469 CB LYS A 156 43.761 4.626 4.129 1.00 0.00 C ATOM 470 CG LYS A 156 43.795 3.108 3.943 1.00 0.00 C ATOM 471 CD LYS A 156 43.162 2.430 5.159 1.00 0.00 C ATOM 472 CE LYS A 156 43.293 0.912 5.024 1.00 0.00 C ATOM 473 NZ LYS A 156 42.197 0.394 4.158 1.00 0.00 N ATOM 0 H LYS A 156 46.198 4.849 3.612 1.00 0.00 H new ATOM 0 HA LYS A 156 43.788 4.925 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.369 4.911 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.743 4.955 4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.256 2.830 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.824 2.769 3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.651 2.768 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.111 2.709 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 156 44.262 0.657 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 156 43.247 0.443 6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 42.255 -0.643 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 41.278 0.670 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 42.292 0.793 3.202 1.00 0.00 H new ATOM 487 N ASP A 157 45.010 7.614 3.259 1.00 0.00 N ATOM 488 CA ASP A 157 44.820 9.067 3.332 1.00 0.00 C ATOM 489 C ASP A 157 45.688 9.814 2.304 1.00 0.00 C ATOM 490 O ASP A 157 45.186 10.221 1.256 1.00 0.00 O ATOM 491 CB ASP A 157 45.106 9.562 4.759 1.00 0.00 C ATOM 492 CG ASP A 157 43.803 9.737 5.536 1.00 0.00 C ATOM 493 OD1 ASP A 157 42.880 10.313 4.983 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.747 9.292 6.670 1.00 0.00 O ATOM 0 H ASP A 157 45.958 7.294 3.458 1.00 0.00 H new ATOM 0 HA ASP A 157 43.781 9.283 3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.751 8.850 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.643 10.510 4.721 1.00 0.00 H new ATOM 499 N PRO A 158 46.962 9.993 2.567 1.00 0.00 N ATOM 500 CA PRO A 158 47.772 11.055 1.884 1.00 0.00 C ATOM 501 C PRO A 158 47.931 10.844 0.376 1.00 0.00 C ATOM 502 O PRO A 158 47.949 9.718 -0.117 1.00 0.00 O ATOM 503 CB PRO A 158 49.134 10.998 2.583 1.00 0.00 C ATOM 504 CG PRO A 158 49.215 9.630 3.158 1.00 0.00 C ATOM 505 CD PRO A 158 47.789 9.255 3.540 1.00 0.00 C ATOM 0 HA PRO A 158 47.276 12.022 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.947 11.179 1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.211 11.758 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.624 8.925 2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.871 9.610 4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.625 8.180 3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.559 9.547 4.565 1.00 0.00 H new ATOM 513 N GLN A 159 48.194 11.951 -0.323 1.00 0.00 N ATOM 514 CA GLN A 159 48.499 11.922 -1.760 1.00 0.00 C ATOM 515 C GLN A 159 49.743 11.069 -2.058 1.00 0.00 C ATOM 516 O GLN A 159 49.949 10.637 -3.198 1.00 0.00 O ATOM 517 CB GLN A 159 48.720 13.343 -2.279 1.00 0.00 C ATOM 518 CG GLN A 159 47.369 14.018 -2.526 1.00 0.00 C ATOM 519 CD GLN A 159 46.676 13.381 -3.727 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.289 13.210 -4.780 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.425 13.019 -3.630 1.00 0.00 N ATOM 0 H GLN A 159 48.202 12.886 0.085 1.00 0.00 H new ATOM 0 HA GLN A 159 47.646 11.471 -2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.298 13.919 -1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.299 13.317 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.740 13.924 -1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.513 15.084 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.919 13.162 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.954 12.593 -4.428 1.00 0.00 H new ATOM 530 N LEU A 160 50.544 10.791 -1.024 1.00 0.00 N ATOM 531 CA LEU A 160 51.852 10.169 -1.220 1.00 0.00 C ATOM 532 C LEU A 160 51.721 8.849 -1.992 1.00 0.00 C ATOM 533 O LEU A 160 52.669 8.413 -2.641 1.00 0.00 O ATOM 534 CB LEU A 160 52.509 9.900 0.137 1.00 0.00 C ATOM 535 CG LEU A 160 53.991 9.571 -0.062 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.743 10.829 -0.503 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.580 9.063 1.255 1.00 0.00 C ATOM 0 H LEU A 160 50.309 10.986 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 160 52.471 10.854 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.404 10.772 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.007 9.072 0.637 1.00 0.00 H new ATOM 0 HG LEU A 160 54.091 8.803 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.798 10.592 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.324 11.193 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.643 11.599 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.635 8.828 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.478 9.833 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.047 8.166 1.570 1.00 0.00 H new ATOM 549 N VAL A 161 50.534 8.227 -1.933 1.00 0.00 N ATOM 550 CA VAL A 161 50.284 6.973 -2.654 1.00 0.00 C ATOM 551 C VAL A 161 50.540 7.151 -4.150 1.00 0.00 C ATOM 552 O VAL A 161 51.382 6.467 -4.730 1.00 0.00 O ATOM 553 CB VAL A 161 48.828 6.518 -2.457 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.674 5.073 -2.942 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.434 6.594 -0.978 1.00 0.00 C ATOM 0 H VAL A 161 49.737 8.570 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 161 50.963 6.220 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 161 48.178 7.178 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.642 4.750 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.933 5.015 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.337 4.425 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.401 6.268 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.088 5.947 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.533 7.621 -0.627 1.00 0.00 H new ATOM 565 N ALA A 162 49.858 8.127 -4.755 1.00 0.00 N ATOM 566 CA ALA A 162 49.950 8.336 -6.201 1.00 0.00 C ATOM 567 C ALA A 162 51.395 8.628 -6.588 1.00 0.00 C ATOM 568 O ALA A 162 51.985 7.940 -7.424 1.00 0.00 O ATOM 569 CB ALA A 162 49.071 9.522 -6.609 1.00 0.00 C ATOM 0 H ALA A 162 49.241 8.779 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 162 49.610 7.436 -6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.142 9.674 -7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.035 9.317 -6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.409 10.420 -6.092 1.00 0.00 H new ATOM 575 N LYS A 163 52.004 9.543 -5.830 1.00 0.00 N ATOM 576 CA LYS A 163 53.383 9.956 -6.095 1.00 0.00 C ATOM 577 C LYS A 163 54.310 8.738 -6.119 1.00 0.00 C ATOM 578 O LYS A 163 54.944 8.452 -7.136 1.00 0.00 O ATOM 579 CB LYS A 163 53.853 10.935 -5.016 1.00 0.00 C ATOM 580 CG LYS A 163 52.970 12.187 -5.031 1.00 0.00 C ATOM 581 CD LYS A 163 53.248 12.998 -6.300 1.00 0.00 C ATOM 582 CE LYS A 163 52.505 14.333 -6.225 1.00 0.00 C ATOM 583 NZ LYS A 163 53.156 15.315 -7.137 1.00 0.00 N ATOM 0 H LYS A 163 51.568 10.008 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 163 53.416 10.446 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.809 10.459 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.893 11.210 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.918 11.903 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.169 12.795 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.319 13.171 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.926 12.440 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.461 14.197 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.514 14.709 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.651 16.223 -7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 54.146 15.453 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 53.126 14.956 -8.113 1.00 0.00 H new ATOM 597 N LEU A 164 54.225 7.922 -5.069 1.00 0.00 N ATOM 598 CA LEU A 164 55.079 6.744 -4.936 1.00 0.00 C ATOM 599 C LEU A 164 54.865 5.759 -6.085 1.00 0.00 C ATOM 600 O LEU A 164 55.813 5.142 -6.554 1.00 0.00 O ATOM 601 CB LEU A 164 54.781 6.040 -3.611 1.00 0.00 C ATOM 602 CG LEU A 164 55.272 6.900 -2.444 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.753 6.318 -1.129 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.803 6.910 -2.423 1.00 0.00 C ATOM 0 H LEU A 164 53.572 8.056 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 164 56.115 7.080 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.710 5.861 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.270 5.066 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 164 54.903 7.918 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.102 6.930 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.663 6.309 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.123 5.300 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.151 7.523 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.172 5.891 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.177 7.323 -3.360 1.00 0.00 H new ATOM 616 N ILE A 165 53.623 5.640 -6.553 1.00 0.00 N ATOM 617 CA ILE A 165 53.284 4.622 -7.550 1.00 0.00 C ATOM 618 C ILE A 165 54.049 4.872 -8.852 1.00 0.00 C ATOM 619 O ILE A 165 54.571 3.933 -9.462 1.00 0.00 O ATOM 620 CB ILE A 165 51.758 4.593 -7.769 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.120 3.946 -6.533 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.397 3.762 -9.012 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.600 4.108 -6.570 1.00 0.00 C ATOM 0 H ILE A 165 52.842 6.228 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 165 53.586 3.640 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 165 51.393 5.609 -7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.378 2.888 -6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.519 4.404 -5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.315 3.757 -9.145 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.869 4.200 -9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.751 2.739 -8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.163 3.643 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.347 5.168 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.205 3.628 -7.465 1.00 0.00 H new ATOM 635 N GLY A 166 54.209 6.142 -9.223 1.00 0.00 N ATOM 636 CA GLY A 166 55.029 6.475 -10.382 1.00 0.00 C ATOM 637 C GLY A 166 56.495 6.239 -10.043 1.00 0.00 C ATOM 638 O GLY A 166 57.219 5.540 -10.760 1.00 0.00 O ATOM 0 H GLY A 166 53.790 6.941 -8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.738 5.864 -11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.872 7.515 -10.667 1.00 0.00 H new ATOM 642 N TYR A 167 56.906 6.810 -8.912 1.00 0.00 N ATOM 643 CA TYR A 167 58.252 6.615 -8.375 1.00 0.00 C ATOM 644 C TYR A 167 58.538 5.143 -8.053 1.00 0.00 C ATOM 645 O TYR A 167 59.689 4.761 -7.867 1.00 0.00 O ATOM 646 CB TYR A 167 58.398 7.492 -7.124 1.00 0.00 C ATOM 647 CG TYR A 167 59.773 7.548 -6.514 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.821 8.212 -7.194 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.995 6.999 -5.230 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.098 8.315 -6.597 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.272 7.098 -4.629 1.00 0.00 C ATOM 652 CZ TYR A 167 62.327 7.757 -5.316 1.00 0.00 C ATOM 653 OH TYR A 167 63.578 7.851 -4.738 1.00 0.00 O ATOM 0 H TYR A 167 56.318 7.419 -8.343 1.00 0.00 H new ATOM 0 HA TYR A 167 58.984 6.907 -9.128 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.094 8.507 -7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.701 7.131 -6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.645 8.640 -8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.190 6.504 -4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.899 8.819 -7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.444 6.674 -3.651 1.00 0.00 H new ATOM 0 HH TYR A 167 63.820 8.795 -4.633 1.00 0.00 H new ATOM 663 N LYS A 168 57.483 4.337 -7.942 1.00 0.00 N ATOM 664 CA LYS A 168 57.634 2.899 -7.713 1.00 0.00 C ATOM 665 C LYS A 168 58.068 2.165 -8.987 1.00 0.00 C ATOM 666 O LYS A 168 59.013 1.376 -8.965 1.00 0.00 O ATOM 667 CB LYS A 168 56.299 2.327 -7.215 1.00 0.00 C ATOM 668 CG LYS A 168 56.248 2.391 -5.677 1.00 0.00 C ATOM 669 CD LYS A 168 54.832 2.067 -5.157 1.00 0.00 C ATOM 670 CE LYS A 168 54.339 0.710 -5.681 1.00 0.00 C ATOM 671 NZ LYS A 168 53.077 0.905 -6.447 1.00 0.00 N ATOM 0 H LYS A 168 56.516 4.654 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 168 58.412 2.751 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.469 2.892 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.187 1.296 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 168 56.964 1.685 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.544 3.385 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.836 2.058 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.141 2.851 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 168 55.098 0.256 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 168 54.171 0.026 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 52.805 0.010 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 52.321 1.208 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.222 1.633 -7.175 1.00 0.00 H new ATOM 685 N GLN A 169 57.372 2.437 -10.090 1.00 0.00 N ATOM 686 CA GLN A 169 57.498 1.603 -11.288 1.00 0.00 C ATOM 687 C GLN A 169 58.829 1.825 -12.022 1.00 0.00 C ATOM 688 O GLN A 169 59.533 0.867 -12.345 1.00 0.00 O ATOM 689 CB GLN A 169 56.341 1.897 -12.244 1.00 0.00 C ATOM 690 CG GLN A 169 55.024 1.461 -11.601 1.00 0.00 C ATOM 691 CD GLN A 169 53.865 1.727 -12.555 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.394 2.860 -12.661 1.00 0.00 O ATOM 693 NE2 GLN A 169 53.374 0.746 -13.261 1.00 0.00 N ATOM 0 H GLN A 169 56.722 3.218 -10.181 1.00 0.00 H new ATOM 0 HA GLN A 169 57.471 0.564 -10.961 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.309 2.961 -12.477 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.490 1.369 -13.186 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.065 0.401 -11.352 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.869 2.002 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.765 -0.192 -13.172 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.599 0.917 -13.902 1.00 0.00 H new ATOM 702 N ASN A 170 59.169 3.091 -12.275 1.00 0.00 N ATOM 703 CA ASN A 170 60.264 3.407 -13.212 1.00 0.00 C ATOM 704 C ASN A 170 61.616 3.707 -12.527 1.00 0.00 C ATOM 705 O ASN A 170 62.658 3.277 -13.025 1.00 0.00 O ATOM 706 CB ASN A 170 59.865 4.613 -14.064 1.00 0.00 C ATOM 707 CG ASN A 170 60.745 4.688 -15.307 1.00 0.00 C ATOM 708 OD1 ASN A 170 61.025 3.666 -15.934 1.00 0.00 O ATOM 709 ND2 ASN A 170 61.201 5.845 -15.703 1.00 0.00 N ATOM 0 H ASN A 170 58.716 3.904 -11.857 1.00 0.00 H new ATOM 0 HA ASN A 170 60.413 2.513 -13.818 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.817 4.533 -14.354 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.965 5.529 -13.482 1.00 0.00 H new ATOM 0 HD21 ASN A 170 61.790 5.904 -16.533 1.00 0.00 H new ATOM 0 HD22 ASN A 170 60.968 6.690 -15.182 1.00 0.00 H new ATOM 716 N PRO A 171 61.634 4.409 -11.414 1.00 0.00 N ATOM 717 CA PRO A 171 62.889 5.030 -10.894 1.00 0.00 C ATOM 718 C PRO A 171 63.546 4.259 -9.750 1.00 0.00 C ATOM 719 O PRO A 171 63.192 4.429 -8.584 1.00 0.00 O ATOM 720 CB PRO A 171 62.454 6.416 -10.446 1.00 0.00 C ATOM 721 CG PRO A 171 61.030 6.273 -10.050 1.00 0.00 C ATOM 722 CD PRO A 171 60.477 5.006 -10.723 1.00 0.00 C ATOM 0 HA PRO A 171 63.660 5.040 -11.664 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.061 6.768 -9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.567 7.143 -11.251 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.941 6.199 -8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.459 7.149 -10.358 1.00 0.00 H new ATOM 0 HD2 PRO A 171 60.058 4.319 -9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.679 5.248 -11.425 1.00 0.00 H new ATOM 730 N GLN A 172 64.547 3.439 -10.089 1.00 0.00 N ATOM 731 CA GLN A 172 65.359 2.726 -9.076 1.00 0.00 C ATOM 732 C GLN A 172 65.829 3.643 -7.919 1.00 0.00 C ATOM 733 O GLN A 172 66.237 3.154 -6.861 1.00 0.00 O ATOM 734 CB GLN A 172 66.584 2.096 -9.745 1.00 0.00 C ATOM 735 CG GLN A 172 66.135 1.087 -10.805 1.00 0.00 C ATOM 736 CD GLN A 172 65.517 -0.137 -10.137 1.00 0.00 C ATOM 737 OE1 GLN A 172 66.023 -0.614 -9.121 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.447 -0.680 -10.652 1.00 0.00 N ATOM 0 H GLN A 172 64.820 3.248 -11.053 1.00 0.00 H new ATOM 0 HA GLN A 172 64.716 1.960 -8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.198 2.871 -10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.203 1.600 -8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.410 1.550 -11.475 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.986 0.786 -11.416 1.00 0.00 H new ATOM 0 HE21 GLN A 172 64.029 -0.284 -11.494 1.00 0.00 H new ATOM 0 HE22 GLN A 172 64.029 -1.500 -10.213 1.00 0.00 H new ATOM 747 N ALA A 173 65.700 4.964 -8.094 1.00 0.00 N ATOM 748 CA ALA A 173 66.198 5.931 -7.117 1.00 0.00 C ATOM 749 C ALA A 173 65.550 5.752 -5.729 1.00 0.00 C ATOM 750 O ALA A 173 66.017 6.343 -4.755 1.00 0.00 O ATOM 751 CB ALA A 173 65.891 7.341 -7.618 1.00 0.00 C ATOM 0 H ALA A 173 65.252 5.386 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 173 67.270 5.769 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.258 8.071 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.382 7.501 -8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.814 7.458 -7.737 1.00 0.00 H new ATOM 757 N ILE A 174 64.514 4.901 -5.622 1.00 0.00 N ATOM 758 CA ILE A 174 63.752 4.784 -4.370 1.00 0.00 C ATOM 759 C ILE A 174 64.667 4.388 -3.208 1.00 0.00 C ATOM 760 O ILE A 174 64.421 4.766 -2.063 1.00 0.00 O ATOM 761 CB ILE A 174 62.639 3.734 -4.507 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.812 4.021 -5.785 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.742 3.779 -3.259 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.543 3.160 -5.841 1.00 0.00 C ATOM 0 H ILE A 174 64.190 4.294 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 174 63.310 5.759 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 174 63.074 2.738 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.538 5.076 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.423 3.827 -6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.951 3.035 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.340 3.564 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.299 4.770 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.988 3.388 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.818 2.105 -5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.920 3.374 -4.973 1.00 0.00 H new ATOM 776 N GLY A 175 65.737 3.648 -3.518 1.00 0.00 N ATOM 777 CA GLY A 175 66.631 3.124 -2.484 1.00 0.00 C ATOM 778 C GLY A 175 67.179 4.246 -1.592 1.00 0.00 C ATOM 779 O GLY A 175 67.478 4.024 -0.418 1.00 0.00 O ATOM 0 H GLY A 175 66.003 3.400 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.095 2.400 -1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.460 2.593 -2.953 1.00 0.00 H new ATOM 783 N GLN A 176 67.305 5.447 -2.164 1.00 0.00 N ATOM 784 CA GLN A 176 67.834 6.590 -1.428 1.00 0.00 C ATOM 785 C GLN A 176 66.730 7.325 -0.672 1.00 0.00 C ATOM 786 O GLN A 176 66.970 7.895 0.394 1.00 0.00 O ATOM 787 CB GLN A 176 68.514 7.558 -2.398 1.00 0.00 C ATOM 788 CG GLN A 176 69.694 6.859 -3.076 1.00 0.00 C ATOM 789 CD GLN A 176 70.391 7.816 -4.038 1.00 0.00 C ATOM 790 OE1 GLN A 176 69.741 8.658 -4.659 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.683 7.736 -4.200 1.00 0.00 N ATOM 0 H GLN A 176 67.048 5.649 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 176 68.557 6.217 -0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.800 7.899 -3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.860 8.442 -1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.401 6.510 -2.323 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.344 5.980 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 176 72.219 7.038 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 176 72.157 8.371 -4.842 1.00 0.00 H new ATOM 800 N ASP A 177 65.520 7.305 -1.231 1.00 0.00 N ATOM 801 CA ASP A 177 64.422 8.076 -0.665 1.00 0.00 C ATOM 802 C ASP A 177 63.874 7.418 0.597 1.00 0.00 C ATOM 803 O ASP A 177 63.203 8.078 1.388 1.00 0.00 O ATOM 804 CB ASP A 177 63.295 8.284 -1.689 1.00 0.00 C ATOM 805 CG ASP A 177 63.514 9.574 -2.496 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.389 10.348 -2.137 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.776 9.785 -3.443 1.00 0.00 O ATOM 0 H ASP A 177 65.280 6.769 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 177 64.823 9.053 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.252 7.431 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.335 8.332 -1.174 1.00 0.00 H new ATOM 812 N LEU A 178 64.134 6.115 0.791 1.00 0.00 N ATOM 813 CA LEU A 178 63.739 5.456 2.043 1.00 0.00 C ATOM 814 C LEU A 178 64.332 6.220 3.237 1.00 0.00 C ATOM 815 O LEU A 178 63.657 6.473 4.235 1.00 0.00 O ATOM 816 CB LEU A 178 64.241 3.999 2.097 1.00 0.00 C ATOM 817 CG LEU A 178 63.937 3.210 0.812 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.690 1.882 0.876 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.438 2.909 0.705 1.00 0.00 C ATOM 0 H LEU A 178 64.603 5.512 0.116 1.00 0.00 H new ATOM 0 HA LEU A 178 62.650 5.455 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.317 3.998 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.780 3.493 2.945 1.00 0.00 H new ATOM 0 HG LEU A 178 64.244 3.801 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.488 1.306 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.760 2.074 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.359 1.318 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.244 2.350 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.123 2.317 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.880 3.845 0.685 1.00 0.00 H new ATOM 831 N PHE A 179 65.613 6.574 3.105 1.00 0.00 N ATOM 832 CA PHE A 179 66.310 7.391 4.103 1.00 0.00 C ATOM 833 C PHE A 179 65.525 8.667 4.437 1.00 0.00 C ATOM 834 O PHE A 179 65.536 9.131 5.578 1.00 0.00 O ATOM 835 CB PHE A 179 67.693 7.766 3.576 1.00 0.00 C ATOM 836 CG PHE A 179 68.649 6.598 3.506 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.386 6.217 4.654 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.808 5.884 2.294 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.282 5.122 4.590 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.703 4.789 2.229 1.00 0.00 C ATOM 841 CZ PHE A 179 70.441 4.409 3.377 1.00 0.00 C ATOM 0 H PHE A 179 66.193 6.305 2.310 1.00 0.00 H new ATOM 0 HA PHE A 179 66.402 6.804 5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.589 8.200 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.120 8.537 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.265 6.762 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.246 6.175 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.843 4.831 5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.823 4.244 1.305 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.125 3.575 3.327 1.00 0.00 H new ATOM 851 N THR A 180 64.852 9.224 3.432 1.00 0.00 N ATOM 852 CA THR A 180 64.055 10.442 3.623 1.00 0.00 C ATOM 853 C THR A 180 62.610 10.105 4.019 1.00 0.00 C ATOM 854 O THR A 180 61.932 10.908 4.661 1.00 0.00 O ATOM 855 CB THR A 180 64.052 11.280 2.337 1.00 0.00 C ATOM 856 OG1 THR A 180 63.299 10.608 1.337 1.00 0.00 O ATOM 857 CG2 THR A 180 65.486 11.488 1.844 1.00 0.00 C ATOM 0 H THR A 180 64.840 8.856 2.481 1.00 0.00 H new ATOM 0 HA THR A 180 64.510 11.015 4.431 1.00 0.00 H new ATOM 0 HB THR A 180 63.602 12.251 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.405 9.640 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.474 12.084 0.931 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.062 12.008 2.609 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.945 10.520 1.640 1.00 0.00 H new ATOM 865 N ASP A 181 62.153 8.913 3.628 1.00 0.00 N ATOM 866 CA ASP A 181 60.776 8.496 3.889 1.00 0.00 C ATOM 867 C ASP A 181 60.734 7.411 4.972 1.00 0.00 C ATOM 868 O ASP A 181 61.179 6.287 4.732 1.00 0.00 O ATOM 869 CB ASP A 181 60.140 7.961 2.606 1.00 0.00 C ATOM 870 CG ASP A 181 58.615 8.102 2.654 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.090 8.417 3.712 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.992 7.894 1.627 1.00 0.00 O ATOM 0 H ASP A 181 62.716 8.222 3.131 1.00 0.00 H new ATOM 0 HA ASP A 181 60.216 9.363 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.533 8.504 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.409 6.913 2.471 1.00 0.00 H new ATOM 877 N PRO A 182 60.182 7.701 6.134 1.00 0.00 N ATOM 878 CA PRO A 182 60.200 6.726 7.271 1.00 0.00 C ATOM 879 C PRO A 182 59.393 5.463 6.968 1.00 0.00 C ATOM 880 O PRO A 182 59.915 4.351 7.065 1.00 0.00 O ATOM 881 CB PRO A 182 59.586 7.499 8.443 1.00 0.00 C ATOM 882 CG PRO A 182 58.778 8.586 7.823 1.00 0.00 C ATOM 883 CD PRO A 182 59.471 8.941 6.512 1.00 0.00 C ATOM 0 HA PRO A 182 61.210 6.372 7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.963 6.849 9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.360 7.907 9.093 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.755 8.256 7.645 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.723 9.453 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.752 9.237 5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.162 9.774 6.639 1.00 0.00 H new ATOM 891 N ARG A 183 58.125 5.640 6.596 1.00 0.00 N ATOM 892 CA ARG A 183 57.217 4.500 6.441 1.00 0.00 C ATOM 893 C ARG A 183 57.646 3.580 5.299 1.00 0.00 C ATOM 894 O ARG A 183 57.531 2.362 5.421 1.00 0.00 O ATOM 895 CB ARG A 183 55.782 4.973 6.199 1.00 0.00 C ATOM 896 CG ARG A 183 55.333 5.858 7.366 1.00 0.00 C ATOM 897 CD ARG A 183 53.844 6.175 7.219 1.00 0.00 C ATOM 898 NE ARG A 183 53.241 6.438 8.526 1.00 0.00 N ATOM 899 CZ ARG A 183 53.478 7.562 9.217 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.293 8.485 8.765 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.878 7.742 10.360 1.00 0.00 N ATOM 0 H ARG A 183 57.706 6.549 6.398 1.00 0.00 H new ATOM 0 HA ARG A 183 57.261 3.935 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.724 5.529 5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.116 4.115 6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.516 5.351 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.913 6.781 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.714 7.042 6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.335 5.339 6.739 1.00 0.00 H new ATOM 0 HE ARG A 183 52.616 5.739 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.763 8.356 7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.457 9.332 9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.238 7.033 10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.048 8.592 10.897 1.00 0.00 H new ATOM 915 N LEU A 184 58.193 4.149 4.213 1.00 0.00 N ATOM 916 CA LEU A 184 58.628 3.333 3.062 1.00 0.00 C ATOM 917 C LEU A 184 59.529 2.185 3.527 1.00 0.00 C ATOM 918 O LEU A 184 59.462 1.072 3.001 1.00 0.00 O ATOM 919 CB LEU A 184 59.395 4.194 2.041 1.00 0.00 C ATOM 920 CG LEU A 184 58.423 4.832 1.038 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.182 5.825 0.150 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.804 3.744 0.152 1.00 0.00 C ATOM 0 H LEU A 184 58.344 5.152 4.105 1.00 0.00 H new ATOM 0 HA LEU A 184 57.735 2.925 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.954 4.972 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.122 3.579 1.511 1.00 0.00 H new ATOM 0 HG LEU A 184 57.636 5.351 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.492 6.278 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.625 6.603 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.969 5.301 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.115 4.201 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.593 3.225 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.263 3.032 0.775 1.00 0.00 H new ATOM 934 N MET A 185 60.331 2.452 4.555 1.00 0.00 N ATOM 935 CA MET A 185 61.209 1.427 5.105 1.00 0.00 C ATOM 936 C MET A 185 60.399 0.315 5.777 1.00 0.00 C ATOM 937 O MET A 185 60.641 -0.860 5.531 1.00 0.00 O ATOM 938 CB MET A 185 62.185 2.047 6.100 1.00 0.00 C ATOM 939 CG MET A 185 63.209 2.887 5.338 1.00 0.00 C ATOM 940 SD MET A 185 64.524 3.408 6.466 1.00 0.00 S ATOM 941 CE MET A 185 65.753 3.802 5.198 1.00 0.00 C ATOM 0 H MET A 185 60.390 3.359 5.018 1.00 0.00 H new ATOM 0 HA MET A 185 61.774 0.986 4.284 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.648 2.668 6.817 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.688 1.266 6.670 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.629 2.309 4.515 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.725 3.760 4.899 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.754 3.684 5.613 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.630 3.128 4.350 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.616 4.831 4.866 1.00 0.00 H new ATOM 951 N THR A 186 59.353 0.685 6.518 1.00 0.00 N ATOM 952 CA THR A 186 58.526 -0.305 7.219 1.00 0.00 C ATOM 953 C THR A 186 57.893 -1.279 6.214 1.00 0.00 C ATOM 954 O THR A 186 57.780 -2.479 6.476 1.00 0.00 O ATOM 955 CB THR A 186 57.427 0.411 8.019 1.00 0.00 C ATOM 956 OG1 THR A 186 58.022 1.401 8.847 1.00 0.00 O ATOM 957 CG2 THR A 186 56.666 -0.592 8.894 1.00 0.00 C ATOM 0 H THR A 186 59.058 1.653 6.649 1.00 0.00 H new ATOM 0 HA THR A 186 59.158 -0.872 7.903 1.00 0.00 H new ATOM 0 HB THR A 186 56.727 0.876 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.325 1.862 9.358 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.891 -0.070 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.207 -1.352 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.358 -1.068 9.589 1.00 0.00 H new ATOM 965 N ILE A 187 57.513 -0.745 5.051 1.00 0.00 N ATOM 966 CA ILE A 187 57.040 -1.575 3.935 1.00 0.00 C ATOM 967 C ILE A 187 58.098 -2.629 3.580 1.00 0.00 C ATOM 968 O ILE A 187 57.792 -3.811 3.417 1.00 0.00 O ATOM 969 CB ILE A 187 56.773 -0.689 2.702 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.721 0.378 3.038 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.271 -1.556 1.545 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.583 1.361 1.869 1.00 0.00 C ATOM 0 H ILE A 187 57.523 0.256 4.855 1.00 0.00 H new ATOM 0 HA ILE A 187 56.118 -2.074 4.234 1.00 0.00 H new ATOM 0 HB ILE A 187 57.701 -0.196 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.761 -0.097 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.009 0.913 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.083 -0.928 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 187 57.025 -2.304 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.348 -2.055 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.835 2.115 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.542 1.847 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.274 0.821 0.974 1.00 0.00 H new ATOM 984 N MET A 188 59.343 -2.177 3.503 1.00 0.00 N ATOM 985 CA MET A 188 60.460 -3.048 3.148 1.00 0.00 C ATOM 986 C MET A 188 60.574 -4.213 4.134 1.00 0.00 C ATOM 987 O MET A 188 60.789 -5.356 3.740 1.00 0.00 O ATOM 988 CB MET A 188 61.759 -2.245 3.165 1.00 0.00 C ATOM 989 CG MET A 188 61.640 -1.023 2.232 1.00 0.00 C ATOM 990 SD MET A 188 62.701 -1.222 0.781 1.00 0.00 S ATOM 991 CE MET A 188 61.474 -1.991 -0.307 1.00 0.00 C ATOM 0 H MET A 188 59.607 -1.208 3.682 1.00 0.00 H new ATOM 0 HA MET A 188 60.282 -3.449 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.979 -1.916 4.181 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.589 -2.875 2.847 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.604 -0.899 1.917 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.919 -0.118 2.772 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.569 -1.579 -1.312 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.640 -3.068 -0.339 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.473 -1.790 0.074 1.00 0.00 H new ATOM 1001 N ALA A 189 60.415 -3.900 5.416 1.00 0.00 N ATOM 1002 CA ALA A 189 60.490 -4.908 6.485 1.00 0.00 C ATOM 1003 C ALA A 189 59.494 -6.059 6.275 1.00 0.00 C ATOM 1004 O ALA A 189 59.893 -7.219 6.213 1.00 0.00 O ATOM 1005 CB ALA A 189 60.213 -4.243 7.836 1.00 0.00 C ATOM 0 H ALA A 189 60.232 -2.953 5.748 1.00 0.00 H new ATOM 0 HA ALA A 189 61.494 -5.331 6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.269 -4.990 8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.955 -3.466 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.218 -3.799 7.826 1.00 0.00 H new ATOM 1011 N THR A 190 58.203 -5.734 6.125 1.00 0.00 N ATOM 1012 CA THR A 190 57.171 -6.772 5.929 1.00 0.00 C ATOM 1013 C THR A 190 57.523 -7.680 4.742 1.00 0.00 C ATOM 1014 O THR A 190 57.470 -8.907 4.847 1.00 0.00 O ATOM 1015 CB THR A 190 55.800 -6.119 5.659 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.990 -4.869 5.011 1.00 0.00 O ATOM 1017 CG2 THR A 190 55.031 -5.912 6.966 1.00 0.00 C ATOM 0 H THR A 190 57.848 -4.778 6.135 1.00 0.00 H new ATOM 0 HA THR A 190 57.127 -7.369 6.840 1.00 0.00 H new ATOM 0 HB THR A 190 55.218 -6.781 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.674 -4.962 4.315 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.067 -5.450 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.872 -6.875 7.451 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.605 -5.263 7.627 1.00 0.00 H new ATOM 1025 N LEU A 191 57.880 -7.057 3.625 1.00 0.00 N ATOM 1026 CA LEU A 191 58.241 -7.795 2.409 1.00 0.00 C ATOM 1027 C LEU A 191 59.417 -8.746 2.658 1.00 0.00 C ATOM 1028 O LEU A 191 59.325 -9.948 2.405 1.00 0.00 O ATOM 1029 CB LEU A 191 58.627 -6.802 1.316 1.00 0.00 C ATOM 1030 CG LEU A 191 57.386 -6.043 0.836 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.792 -4.640 0.373 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.746 -6.804 -0.329 1.00 0.00 C ATOM 0 H LEU A 191 57.929 -6.043 3.531 1.00 0.00 H new ATOM 0 HA LEU A 191 57.379 -8.388 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.368 -6.100 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.087 -7.329 0.480 1.00 0.00 H new ATOM 0 HG LEU A 191 56.669 -5.959 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.909 -4.100 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.249 -4.101 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.508 -4.720 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.862 -6.266 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.462 -6.886 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.458 -7.801 0.003 1.00 0.00 H new ATOM 1044 N MET A 192 60.515 -8.188 3.155 1.00 0.00 N ATOM 1045 CA MET A 192 61.750 -8.945 3.355 1.00 0.00 C ATOM 1046 C MET A 192 61.654 -9.920 4.529 1.00 0.00 C ATOM 1047 O MET A 192 62.360 -10.928 4.563 1.00 0.00 O ATOM 1048 CB MET A 192 62.893 -7.977 3.605 1.00 0.00 C ATOM 1049 CG MET A 192 63.261 -7.282 2.291 1.00 0.00 C ATOM 1050 SD MET A 192 64.323 -8.367 1.306 1.00 0.00 S ATOM 1051 CE MET A 192 65.832 -8.154 2.281 1.00 0.00 C ATOM 0 H MET A 192 60.577 -7.207 3.429 1.00 0.00 H new ATOM 0 HA MET A 192 61.925 -9.532 2.453 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.603 -7.238 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.757 -8.510 4.003 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.358 -7.036 1.733 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.774 -6.343 2.496 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.637 -7.806 1.634 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.656 -7.421 3.068 1.00 0.00 H new ATOM 0 HE3 MET A 192 66.113 -9.107 2.729 1.00 0.00 H new ATOM 1061 N GLY A 193 60.779 -9.619 5.485 1.00 0.00 N ATOM 1062 CA GLY A 193 60.776 -10.316 6.764 1.00 0.00 C ATOM 1063 C GLY A 193 59.964 -11.609 6.691 1.00 0.00 C ATOM 1064 O GLY A 193 59.923 -12.378 7.652 1.00 0.00 O ATOM 0 H GLY A 193 60.064 -8.897 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.800 -10.544 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.360 -9.666 7.534 1.00 0.00 H new