USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 218 SER OG : rot 123:sc= 0.143 USER MOD Set 1.2: A 219 GLN : amide:sc= -0.108 K(o=0.034,f=-2.7) USER MOD Set 2.1: A 185 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 188 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 189 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.6) USER MOD Set 3.1: A 159 GLN : amide:sc= 0 X(o=-2.5,f=-2) USER MOD Set 3.2: A 162 ASN : amide:sc= -2.54 K(o=-2.5,f=-1.1) USER MOD Single : A 163 CYS SG : rot -57:sc= -3.85! USER MOD Single : A 165 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.49) USER MOD Single : A 167 MET CE :methyl 159:sc= -3.48 (180deg=-4.85!) USER MOD Single : A 173 HIS : no HE2:sc= -3.3! K(o=-3.3!,f=-1.4) USER MOD Single : A 174 SER OG : rot -57:sc= 0.0126 USER MOD Single : A 179 TYR OH : rot 180:sc= 0 USER MOD Single : A 180 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 183 LYS NZ :NH3+ 174:sc= 0.523 (180deg=0.501) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 194 GLN : amide:sc= -4.26! C(o=-4.3!,f=-1.5!) USER MOD Single : A 195 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 196 THR OG1 : rot -15:sc= 1.09 USER MOD Single : A 201 HIS : no HD1:sc= -0.0825 X(o=-0.082,f=0.0064) USER MOD Single : A 204 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 217 CYS SG : rot 180:sc= 0 USER MOD Single : A 220 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 222 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 230 ASN : amide:sc= -1.02 K(o=-1,f=-1.7!) USER MOD Single : A 232 ASN : amide:sc= -2.45 X(o=-2.4,f=-2.7!) USER MOD Single : A 233 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0906) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 246 SER OG : rot 180:sc= 0 USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLN A 159 -8.543 -10.658 2.923 1.00 0.00 N ATOM 83 CA GLN A 159 -7.608 -11.433 2.115 1.00 0.00 C ATOM 84 C GLN A 159 -6.812 -10.525 1.183 1.00 0.00 C ATOM 85 O GLN A 159 -7.354 -9.585 0.603 1.00 0.00 O ATOM 86 CB GLN A 159 -8.359 -12.488 1.301 1.00 0.00 C ATOM 87 CG GLN A 159 -9.078 -13.518 2.156 1.00 0.00 C ATOM 88 CD GLN A 159 -9.956 -14.445 1.338 1.00 0.00 C ATOM 89 OE1 GLN A 159 -10.578 -14.028 0.361 1.00 0.00 O ATOM 90 NE2 GLN A 159 -10.011 -15.711 1.734 1.00 0.00 N ATOM 0 HA GLN A 159 -6.911 -11.932 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -9.086 -11.990 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 159 -7.653 -13.000 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 159 -8.342 -14.109 2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 159 -9.690 -13.005 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -9.479 -16.014 2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -10.585 -16.381 1.222 1.00 0.00 H new ATOM 99 N VAL A 160 -5.522 -10.814 1.045 1.00 0.00 N ATOM 100 CA VAL A 160 -4.650 -10.025 0.183 1.00 0.00 C ATOM 101 C VAL A 160 -5.385 -9.569 -1.073 1.00 0.00 C ATOM 102 O VAL A 160 -5.400 -8.384 -1.401 1.00 0.00 O ATOM 103 CB VAL A 160 -3.398 -10.821 -0.229 1.00 0.00 C ATOM 104 CG1 VAL A 160 -3.791 -12.096 -0.958 1.00 0.00 C ATOM 105 CG2 VAL A 160 -2.483 -9.965 -1.092 1.00 0.00 C ATOM 0 H VAL A 160 -5.058 -11.589 1.519 1.00 0.00 H new ATOM 0 HA VAL A 160 -4.343 -9.152 0.758 1.00 0.00 H new ATOM 0 HB VAL A 160 -2.854 -11.100 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -2.893 -12.645 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -4.404 -12.716 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -4.359 -11.843 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -1.603 -10.543 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -3.016 -9.654 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -2.173 -9.084 -0.531 1.00 0.00 H new ATOM 115 N GLY A 161 -5.996 -10.521 -1.773 1.00 0.00 N ATOM 116 CA GLY A 161 -6.725 -10.199 -2.985 1.00 0.00 C ATOM 117 C GLY A 161 -7.773 -9.126 -2.763 1.00 0.00 C ATOM 118 O GLY A 161 -7.956 -8.245 -3.602 1.00 0.00 O ATOM 0 H GLY A 161 -5.999 -11.510 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -6.023 -9.865 -3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.206 -11.100 -3.366 1.00 0.00 H new ATOM 122 N ASN A 162 -8.463 -9.200 -1.630 1.00 0.00 N ATOM 123 CA ASN A 162 -9.500 -8.229 -1.301 1.00 0.00 C ATOM 124 C ASN A 162 -9.132 -7.444 -0.046 1.00 0.00 C ATOM 125 O ASN A 162 -9.996 -7.115 0.768 1.00 0.00 O ATOM 126 CB ASN A 162 -10.843 -8.934 -1.100 1.00 0.00 C ATOM 127 CG ASN A 162 -10.719 -10.184 -0.251 1.00 0.00 C ATOM 128 OD1 ASN A 162 -10.880 -11.301 -0.744 1.00 0.00 O ATOM 129 ND2 ASN A 162 -10.431 -10.001 1.032 1.00 0.00 N ATOM 0 H ASN A 162 -8.323 -9.923 -0.924 1.00 0.00 H new ATOM 0 HA ASN A 162 -9.585 -7.530 -2.133 1.00 0.00 H new ATOM 0 HB2 ASN A 162 -11.544 -8.246 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 162 -11.260 -9.198 -2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 162 -10.335 -10.805 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 162 -10.306 -9.057 1.397 1.00 0.00 H new ATOM 136 N CYS A 163 -7.846 -7.148 0.104 1.00 0.00 N ATOM 137 CA CYS A 163 -7.363 -6.402 1.260 1.00 0.00 C ATOM 138 C CYS A 163 -7.496 -4.900 1.032 1.00 0.00 C ATOM 139 O CYS A 163 -7.844 -4.151 1.947 1.00 0.00 O ATOM 140 CB CYS A 163 -5.904 -6.758 1.550 1.00 0.00 C ATOM 141 SG CYS A 163 -4.743 -6.212 0.276 1.00 0.00 S ATOM 0 H CYS A 163 -7.119 -7.413 -0.560 1.00 0.00 H new ATOM 0 HA CYS A 163 -7.974 -6.677 2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -5.616 -6.315 2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -5.821 -7.839 1.663 1.00 0.00 H new ATOM 0 HG CYS A 163 -5.087 -6.719 -0.870 1.00 0.00 H new ATOM 147 N LEU A 164 -7.217 -4.465 -0.191 1.00 0.00 N ATOM 148 CA LEU A 164 -7.304 -3.051 -0.540 1.00 0.00 C ATOM 149 C LEU A 164 -8.742 -2.553 -0.437 1.00 0.00 C ATOM 150 O LEU A 164 -9.031 -1.615 0.305 1.00 0.00 O ATOM 151 CB LEU A 164 -6.772 -2.821 -1.955 1.00 0.00 C ATOM 152 CG LEU A 164 -5.311 -3.202 -2.194 1.00 0.00 C ATOM 153 CD1 LEU A 164 -4.977 -3.138 -3.676 1.00 0.00 C ATOM 154 CD2 LEU A 164 -4.386 -2.294 -1.397 1.00 0.00 C ATOM 0 H LEU A 164 -6.928 -5.071 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 164 -6.693 -2.489 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -7.392 -3.386 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -6.896 -1.766 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 164 -5.163 -4.227 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -3.933 -3.412 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -5.616 -3.831 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -5.142 -2.125 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -3.350 -2.580 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -4.537 -1.260 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -4.608 -2.391 -0.334 1.00 0.00 H new ATOM 166 N GLN A 165 -9.638 -3.188 -1.185 1.00 0.00 N ATOM 167 CA GLN A 165 -11.046 -2.810 -1.176 1.00 0.00 C ATOM 168 C GLN A 165 -11.555 -2.641 0.252 1.00 0.00 C ATOM 169 O GLN A 165 -12.178 -1.632 0.584 1.00 0.00 O ATOM 170 CB GLN A 165 -11.883 -3.860 -1.908 1.00 0.00 C ATOM 171 CG GLN A 165 -13.356 -3.833 -1.534 1.00 0.00 C ATOM 172 CD GLN A 165 -14.246 -4.396 -2.625 1.00 0.00 C ATOM 173 OE1 GLN A 165 -14.067 -4.093 -3.805 1.00 0.00 O ATOM 174 NE2 GLN A 165 -15.212 -5.220 -2.235 1.00 0.00 N ATOM 0 H GLN A 165 -9.414 -3.966 -1.805 1.00 0.00 H new ATOM 0 HA GLN A 165 -11.143 -1.855 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -11.787 -3.705 -2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -11.480 -4.849 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -13.505 -4.405 -0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -13.654 -2.806 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -15.324 -5.443 -1.246 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -15.842 -5.630 -2.925 1.00 0.00 H new ATOM 183 N VAL A 166 -11.287 -3.635 1.092 1.00 0.00 N ATOM 184 CA VAL A 166 -11.718 -3.596 2.485 1.00 0.00 C ATOM 185 C VAL A 166 -11.158 -2.371 3.199 1.00 0.00 C ATOM 186 O VAL A 166 -11.889 -1.426 3.496 1.00 0.00 O ATOM 187 CB VAL A 166 -11.280 -4.863 3.243 1.00 0.00 C ATOM 188 CG1 VAL A 166 -11.741 -4.805 4.691 1.00 0.00 C ATOM 189 CG2 VAL A 166 -11.816 -6.109 2.553 1.00 0.00 C ATOM 0 H VAL A 166 -10.774 -4.477 0.833 1.00 0.00 H new ATOM 0 HA VAL A 166 -12.807 -3.543 2.479 1.00 0.00 H new ATOM 0 HB VAL A 166 -10.191 -4.912 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -11.422 -5.709 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -11.303 -3.933 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -12.828 -4.732 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -11.497 -6.995 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -12.905 -6.071 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -11.431 -6.155 1.534 1.00 0.00 H new ATOM 199 N MET A 167 -9.858 -2.394 3.471 1.00 0.00 N ATOM 200 CA MET A 167 -9.200 -1.283 4.149 1.00 0.00 C ATOM 201 C MET A 167 -9.679 0.054 3.593 1.00 0.00 C ATOM 202 O MET A 167 -9.957 0.987 4.347 1.00 0.00 O ATOM 203 CB MET A 167 -7.681 -1.395 4.001 1.00 0.00 C ATOM 204 CG MET A 167 -7.134 -0.673 2.780 1.00 0.00 C ATOM 205 SD MET A 167 -5.361 -0.917 2.566 1.00 0.00 S ATOM 206 CE MET A 167 -4.711 0.311 3.697 1.00 0.00 C ATOM 0 H MET A 167 -9.239 -3.169 3.233 1.00 0.00 H new ATOM 0 HA MET A 167 -9.460 -1.331 5.207 1.00 0.00 H new ATOM 0 HB2 MET A 167 -7.206 -0.990 4.895 1.00 0.00 H new ATOM 0 HB3 MET A 167 -7.407 -2.448 3.943 1.00 0.00 H new ATOM 0 HG2 MET A 167 -7.655 -1.026 1.890 1.00 0.00 H new ATOM 0 HG3 MET A 167 -7.342 0.393 2.870 1.00 0.00 H new ATOM 0 HE1 MET A 167 -3.687 0.052 3.965 1.00 0.00 H new ATOM 0 HE2 MET A 167 -4.725 1.290 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 167 -5.326 0.339 4.597 1.00 0.00 H new ATOM 216 N TRP A 168 -9.773 0.141 2.271 1.00 0.00 N ATOM 217 CA TRP A 168 -10.218 1.365 1.615 1.00 0.00 C ATOM 218 C TRP A 168 -11.499 1.890 2.254 1.00 0.00 C ATOM 219 O TRP A 168 -11.510 2.966 2.854 1.00 0.00 O ATOM 220 CB TRP A 168 -10.444 1.115 0.123 1.00 0.00 C ATOM 221 CG TRP A 168 -10.324 2.354 -0.711 1.00 0.00 C ATOM 222 CD1 TRP A 168 -9.186 2.856 -1.275 1.00 0.00 C ATOM 223 CD2 TRP A 168 -11.382 3.249 -1.074 1.00 0.00 C ATOM 224 NE1 TRP A 168 -9.473 4.009 -1.967 1.00 0.00 N ATOM 225 CE2 TRP A 168 -10.813 4.270 -1.859 1.00 0.00 C ATOM 226 CE3 TRP A 168 -12.754 3.285 -0.813 1.00 0.00 C ATOM 227 CZ2 TRP A 168 -11.570 5.315 -2.383 1.00 0.00 C ATOM 228 CZ3 TRP A 168 -13.504 4.323 -1.334 1.00 0.00 C ATOM 229 CH2 TRP A 168 -12.911 5.326 -2.112 1.00 0.00 C ATOM 0 H TRP A 168 -9.547 -0.622 1.632 1.00 0.00 H new ATOM 0 HA TRP A 168 -9.438 2.117 1.737 1.00 0.00 H new ATOM 0 HB2 TRP A 168 -9.722 0.378 -0.228 1.00 0.00 H new ATOM 0 HB3 TRP A 168 -11.435 0.684 -0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 168 -8.205 2.413 -1.190 1.00 0.00 H new ATOM 0 HE1 TRP A 168 -8.798 4.578 -2.478 1.00 0.00 H new ATOM 0 HE3 TRP A 168 -13.220 2.516 -0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 -11.114 6.089 -2.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 -14.565 4.361 -1.138 1.00 0.00 H new ATOM 0 HH2 TRP A 168 -13.524 6.123 -2.505 1.00 0.00 H new ATOM 240 N LEU A 169 -12.577 1.125 2.124 1.00 0.00 N ATOM 241 CA LEU A 169 -13.864 1.513 2.690 1.00 0.00 C ATOM 242 C LEU A 169 -13.730 1.840 4.174 1.00 0.00 C ATOM 243 O LEU A 169 -14.189 2.885 4.633 1.00 0.00 O ATOM 244 CB LEU A 169 -14.889 0.395 2.493 1.00 0.00 C ATOM 245 CG LEU A 169 -15.569 0.342 1.124 1.00 0.00 C ATOM 246 CD1 LEU A 169 -14.657 -0.316 0.100 1.00 0.00 C ATOM 247 CD2 LEU A 169 -16.894 -0.401 1.216 1.00 0.00 C ATOM 0 H LEU A 169 -12.585 0.232 1.631 1.00 0.00 H new ATOM 0 HA LEU A 169 -14.207 2.407 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 169 -14.393 -0.560 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 169 -15.661 0.498 3.256 1.00 0.00 H new ATOM 0 HG LEU A 169 -15.769 1.363 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 169 -15.158 -0.345 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 169 -13.734 0.257 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 169 -14.425 -1.332 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 169 -17.364 -0.429 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 169 -16.717 -1.419 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 169 -17.551 0.112 1.918 1.00 0.00 H new ATOM 259 N ALA A 170 -13.097 0.939 4.918 1.00 0.00 N ATOM 260 CA ALA A 170 -12.898 1.134 6.349 1.00 0.00 C ATOM 261 C ALA A 170 -12.367 2.532 6.644 1.00 0.00 C ATOM 262 O ALA A 170 -12.986 3.298 7.384 1.00 0.00 O ATOM 263 CB ALA A 170 -11.949 0.079 6.898 1.00 0.00 C ATOM 0 H ALA A 170 -12.713 0.067 4.554 1.00 0.00 H new ATOM 0 HA ALA A 170 -13.864 1.030 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -11.809 0.236 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -12.370 -0.912 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -10.987 0.156 6.391 1.00 0.00 H new ATOM 269 N ASP A 171 -11.218 2.858 6.063 1.00 0.00 N ATOM 270 CA ASP A 171 -10.604 4.165 6.264 1.00 0.00 C ATOM 271 C ASP A 171 -11.601 5.284 5.980 1.00 0.00 C ATOM 272 O ASP A 171 -11.630 6.296 6.681 1.00 0.00 O ATOM 273 CB ASP A 171 -9.376 4.319 5.365 1.00 0.00 C ATOM 274 CG ASP A 171 -9.054 5.771 5.068 1.00 0.00 C ATOM 275 OD1 ASP A 171 -8.731 6.514 6.019 1.00 0.00 O ATOM 276 OD2 ASP A 171 -9.125 6.164 3.885 1.00 0.00 O ATOM 0 H ASP A 171 -10.693 2.235 5.449 1.00 0.00 H new ATOM 0 HA ASP A 171 -10.293 4.236 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.517 3.850 5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -9.546 3.789 4.428 1.00 0.00 H new ATOM 281 N ARG A 172 -12.417 5.095 4.948 1.00 0.00 N ATOM 282 CA ARG A 172 -13.414 6.089 4.570 1.00 0.00 C ATOM 283 C ARG A 172 -14.496 6.207 5.639 1.00 0.00 C ATOM 284 O ARG A 172 -14.939 7.307 5.971 1.00 0.00 O ATOM 285 CB ARG A 172 -14.047 5.723 3.227 1.00 0.00 C ATOM 286 CG ARG A 172 -13.039 5.580 2.098 1.00 0.00 C ATOM 287 CD ARG A 172 -12.560 6.936 1.604 1.00 0.00 C ATOM 288 NE ARG A 172 -11.398 7.411 2.350 1.00 0.00 N ATOM 289 CZ ARG A 172 -10.928 8.651 2.269 1.00 0.00 C ATOM 290 NH1 ARG A 172 -11.519 9.536 1.479 1.00 0.00 N ATOM 291 NH2 ARG A 172 -9.865 9.007 2.979 1.00 0.00 N ATOM 0 H ARG A 172 -12.407 4.262 4.359 1.00 0.00 H new ATOM 0 HA ARG A 172 -12.913 7.052 4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -14.594 4.786 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -14.776 6.488 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -12.186 4.995 2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -13.491 5.030 1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -12.308 6.868 0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -13.369 7.661 1.693 1.00 0.00 H new ATOM 0 HE ARG A 172 -10.921 6.754 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -12.336 9.266 0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -11.157 10.488 1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -9.408 8.328 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -9.505 9.959 2.916 1.00 0.00 H new ATOM 305 N HIS A 173 -14.919 5.066 6.175 1.00 0.00 N ATOM 306 CA HIS A 173 -15.949 5.041 7.207 1.00 0.00 C ATOM 307 C HIS A 173 -15.328 5.125 8.598 1.00 0.00 C ATOM 308 O HIS A 173 -15.907 4.653 9.576 1.00 0.00 O ATOM 309 CB HIS A 173 -16.790 3.770 7.087 1.00 0.00 C ATOM 310 CG HIS A 173 -17.184 3.443 5.679 1.00 0.00 C ATOM 311 ND1 HIS A 173 -18.131 4.158 4.977 1.00 0.00 N ATOM 312 CD2 HIS A 173 -16.751 2.471 4.842 1.00 0.00 C ATOM 313 CE1 HIS A 173 -18.265 3.639 3.769 1.00 0.00 C ATOM 314 NE2 HIS A 173 -17.438 2.615 3.662 1.00 0.00 N ATOM 0 H HIS A 173 -14.564 4.147 5.911 1.00 0.00 H new ATOM 0 HA HIS A 173 -16.593 5.909 7.063 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -16.229 2.933 7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -17.690 3.882 7.691 1.00 0.00 H new ATOM 0 HD1 HIS A 173 -18.647 4.962 5.334 1.00 0.00 H new ATOM 0 HD2 HIS A 173 -16.004 1.722 5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -18.936 3.992 3.000 1.00 0.00 H new ATOM 322 N SER A 174 -14.146 5.728 8.677 1.00 0.00 N ATOM 323 CA SER A 174 -13.444 5.870 9.948 1.00 0.00 C ATOM 324 C SER A 174 -13.445 4.553 10.718 1.00 0.00 C ATOM 325 O SER A 174 -13.842 4.502 11.882 1.00 0.00 O ATOM 326 CB SER A 174 -14.092 6.968 10.793 1.00 0.00 C ATOM 327 OG SER A 174 -13.225 7.391 11.831 1.00 0.00 O ATOM 0 H SER A 174 -13.654 6.126 7.877 1.00 0.00 H new ATOM 0 HA SER A 174 -12.411 6.147 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 174 -14.346 7.817 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 174 -15.024 6.599 11.221 1.00 0.00 H new ATOM 0 HG SER A 174 -12.973 6.620 12.381 1.00 0.00 H new ATOM 333 N ASP A 175 -12.996 3.490 10.059 1.00 0.00 N ATOM 334 CA ASP A 175 -12.943 2.171 10.681 1.00 0.00 C ATOM 335 C ASP A 175 -11.499 1.740 10.917 1.00 0.00 C ATOM 336 O ASP A 175 -10.821 1.239 10.020 1.00 0.00 O ATOM 337 CB ASP A 175 -13.660 1.142 9.806 1.00 0.00 C ATOM 338 CG ASP A 175 -15.133 1.022 10.141 1.00 0.00 C ATOM 339 OD1 ASP A 175 -15.881 1.989 9.884 1.00 0.00 O ATOM 340 OD2 ASP A 175 -15.539 -0.039 10.660 1.00 0.00 O ATOM 0 H ASP A 175 -12.664 3.515 9.095 1.00 0.00 H new ATOM 0 HA ASP A 175 -13.448 2.230 11.645 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -13.550 1.421 8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -13.182 0.170 9.928 1.00 0.00 H new ATOM 345 N PRO A 176 -11.016 1.939 12.152 1.00 0.00 N ATOM 346 CA PRO A 176 -9.648 1.578 12.535 1.00 0.00 C ATOM 347 C PRO A 176 -9.441 0.068 12.592 1.00 0.00 C ATOM 348 O PRO A 176 -8.476 -0.456 12.036 1.00 0.00 O ATOM 349 CB PRO A 176 -9.496 2.191 13.929 1.00 0.00 C ATOM 350 CG PRO A 176 -10.885 2.274 14.460 1.00 0.00 C ATOM 351 CD PRO A 176 -11.768 2.532 13.271 1.00 0.00 C ATOM 0 HA PRO A 176 -8.915 1.938 11.814 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -8.865 1.572 14.567 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -9.031 3.176 13.880 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -11.167 1.348 14.962 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -10.975 3.075 15.194 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -12.747 2.067 13.389 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -11.938 3.598 13.121 1.00 0.00 H new ATOM 359 N GLU A 177 -10.353 -0.625 13.266 1.00 0.00 N ATOM 360 CA GLU A 177 -10.269 -2.075 13.395 1.00 0.00 C ATOM 361 C GLU A 177 -9.983 -2.725 12.044 1.00 0.00 C ATOM 362 O GLU A 177 -8.954 -3.378 11.862 1.00 0.00 O ATOM 363 CB GLU A 177 -11.569 -2.634 13.977 1.00 0.00 C ATOM 364 CG GLU A 177 -11.791 -2.267 15.434 1.00 0.00 C ATOM 365 CD GLU A 177 -12.844 -3.131 16.100 1.00 0.00 C ATOM 366 OE1 GLU A 177 -12.516 -4.269 16.495 1.00 0.00 O ATOM 367 OE2 GLU A 177 -13.997 -2.668 16.226 1.00 0.00 O ATOM 0 H GLU A 177 -11.158 -0.206 13.731 1.00 0.00 H new ATOM 0 HA GLU A 177 -9.447 -2.307 14.072 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -12.409 -2.267 13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -11.563 -3.720 13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -10.851 -2.364 15.976 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -12.090 -1.221 15.500 1.00 0.00 H new ATOM 374 N LEU A 178 -10.899 -2.542 11.100 1.00 0.00 N ATOM 375 CA LEU A 178 -10.747 -3.110 9.765 1.00 0.00 C ATOM 376 C LEU A 178 -9.551 -2.495 9.045 1.00 0.00 C ATOM 377 O LEU A 178 -8.557 -3.172 8.781 1.00 0.00 O ATOM 378 CB LEU A 178 -12.020 -2.888 8.947 1.00 0.00 C ATOM 379 CG LEU A 178 -12.139 -3.703 7.658 1.00 0.00 C ATOM 380 CD1 LEU A 178 -11.870 -5.175 7.929 1.00 0.00 C ATOM 381 CD2 LEU A 178 -13.515 -3.516 7.034 1.00 0.00 C ATOM 0 H LEU A 178 -11.755 -2.004 11.234 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.573 -4.181 9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -12.878 -3.117 9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -12.085 -1.830 8.692 1.00 0.00 H new ATOM 0 HG LEU A 178 -11.390 -3.343 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -11.959 -5.738 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -10.863 -5.293 8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -12.594 -5.550 8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.582 -4.103 6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.281 -3.849 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -13.669 -2.462 6.802 1.00 0.00 H new ATOM 393 N TYR A 179 -9.654 -1.209 8.731 1.00 0.00 N ATOM 394 CA TYR A 179 -8.582 -0.502 8.040 1.00 0.00 C ATOM 395 C TYR A 179 -7.216 -1.018 8.484 1.00 0.00 C ATOM 396 O TYR A 179 -6.394 -1.422 7.661 1.00 0.00 O ATOM 397 CB TYR A 179 -8.682 1.001 8.303 1.00 0.00 C ATOM 398 CG TYR A 179 -7.779 1.832 7.419 1.00 0.00 C ATOM 399 CD1 TYR A 179 -7.648 1.548 6.065 1.00 0.00 C ATOM 400 CD2 TYR A 179 -7.056 2.899 7.938 1.00 0.00 C ATOM 401 CE1 TYR A 179 -6.824 2.304 5.253 1.00 0.00 C ATOM 402 CE2 TYR A 179 -6.231 3.660 7.133 1.00 0.00 C ATOM 403 CZ TYR A 179 -6.118 3.359 5.792 1.00 0.00 C ATOM 404 OH TYR A 179 -5.295 4.114 4.988 1.00 0.00 O ATOM 0 H TYR A 179 -10.469 -0.634 8.944 1.00 0.00 H new ATOM 0 HA TYR A 179 -8.690 -0.685 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -9.714 1.319 8.155 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -8.434 1.196 9.346 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -8.200 0.722 5.640 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -7.140 3.137 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -6.733 2.070 4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -5.677 4.487 7.552 1.00 0.00 H new ATOM 0 HH TYR A 179 -4.872 4.818 5.522 1.00 0.00 H new ATOM 414 N THR A 180 -6.981 -1.001 9.792 1.00 0.00 N ATOM 415 CA THR A 180 -5.716 -1.465 10.347 1.00 0.00 C ATOM 416 C THR A 180 -5.417 -2.895 9.913 1.00 0.00 C ATOM 417 O THR A 180 -4.325 -3.191 9.428 1.00 0.00 O ATOM 418 CB THR A 180 -5.720 -1.398 11.886 1.00 0.00 C ATOM 419 OG1 THR A 180 -6.019 -0.066 12.318 1.00 0.00 O ATOM 420 CG2 THR A 180 -4.374 -1.830 12.450 1.00 0.00 C ATOM 0 H THR A 180 -7.651 -0.671 10.487 1.00 0.00 H new ATOM 0 HA THR A 180 -4.940 -0.802 9.964 1.00 0.00 H new ATOM 0 HB THR A 180 -6.486 -2.079 12.255 1.00 0.00 H new ATOM 0 HG1 THR A 180 -6.973 0.115 12.183 1.00 0.00 H new ATOM 0 HG21 THR A 180 -4.401 -1.774 13.538 1.00 0.00 H new ATOM 0 HG22 THR A 180 -4.163 -2.855 12.144 1.00 0.00 H new ATOM 0 HG23 THR A 180 -3.593 -1.171 12.072 1.00 0.00 H new ATOM 428 N ALA A 181 -6.394 -3.779 10.089 1.00 0.00 N ATOM 429 CA ALA A 181 -6.236 -5.178 9.712 1.00 0.00 C ATOM 430 C ALA A 181 -5.848 -5.310 8.243 1.00 0.00 C ATOM 431 O ALA A 181 -4.721 -5.685 7.920 1.00 0.00 O ATOM 432 CB ALA A 181 -7.517 -5.949 9.993 1.00 0.00 C ATOM 0 H ALA A 181 -7.303 -3.551 10.490 1.00 0.00 H new ATOM 0 HA ALA A 181 -5.431 -5.602 10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 181 -7.384 -6.992 9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 181 -7.750 -5.892 11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 181 -8.336 -5.516 9.418 1.00 0.00 H new ATOM 438 N ALA A 182 -6.789 -5.001 7.357 1.00 0.00 N ATOM 439 CA ALA A 182 -6.545 -5.084 5.923 1.00 0.00 C ATOM 440 C ALA A 182 -5.249 -4.377 5.544 1.00 0.00 C ATOM 441 O ALA A 182 -4.475 -4.873 4.724 1.00 0.00 O ATOM 442 CB ALA A 182 -7.716 -4.491 5.153 1.00 0.00 C ATOM 0 H ALA A 182 -7.728 -4.691 7.608 1.00 0.00 H new ATOM 0 HA ALA A 182 -6.445 -6.136 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 182 -7.520 -4.560 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 182 -8.625 -5.043 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 182 -7.843 -3.445 5.432 1.00 0.00 H new ATOM 448 N LYS A 183 -5.017 -3.215 6.146 1.00 0.00 N ATOM 449 CA LYS A 183 -3.813 -2.439 5.873 1.00 0.00 C ATOM 450 C LYS A 183 -2.560 -3.272 6.123 1.00 0.00 C ATOM 451 O LYS A 183 -1.649 -3.305 5.295 1.00 0.00 O ATOM 452 CB LYS A 183 -3.784 -1.181 6.745 1.00 0.00 C ATOM 453 CG LYS A 183 -2.565 -0.306 6.509 1.00 0.00 C ATOM 454 CD LYS A 183 -2.827 1.135 6.914 1.00 0.00 C ATOM 455 CE LYS A 183 -3.009 1.267 8.419 1.00 0.00 C ATOM 456 NZ LYS A 183 -3.440 2.638 8.807 1.00 0.00 N ATOM 0 H LYS A 183 -5.647 -2.790 6.826 1.00 0.00 H new ATOM 0 HA LYS A 183 -3.830 -2.146 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -4.684 -0.596 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -3.812 -1.475 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -1.720 -0.697 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -2.287 -0.344 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -1.996 1.762 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -3.719 1.501 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -3.749 0.543 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -2.072 1.025 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -3.651 2.660 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -2.678 3.314 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -4.292 2.899 8.271 1.00 0.00 H new ATOM 470 N HIS A 184 -2.521 -3.945 7.268 1.00 0.00 N ATOM 471 CA HIS A 184 -1.379 -4.780 7.626 1.00 0.00 C ATOM 472 C HIS A 184 -1.157 -5.871 6.583 1.00 0.00 C ATOM 473 O HIS A 184 -0.023 -6.146 6.189 1.00 0.00 O ATOM 474 CB HIS A 184 -1.592 -5.410 9.003 1.00 0.00 C ATOM 475 CG HIS A 184 -1.173 -4.526 10.137 1.00 0.00 C ATOM 476 ND1 HIS A 184 -0.505 -4.994 11.248 1.00 0.00 N ATOM 477 CD2 HIS A 184 -1.329 -3.195 10.326 1.00 0.00 C ATOM 478 CE1 HIS A 184 -0.270 -3.990 12.074 1.00 0.00 C ATOM 479 NE2 HIS A 184 -0.759 -2.886 11.537 1.00 0.00 N ATOM 0 H HIS A 184 -3.266 -3.929 7.964 1.00 0.00 H new ATOM 0 HA HIS A 184 -0.493 -4.146 7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 184 -2.646 -5.661 9.119 1.00 0.00 H new ATOM 0 HB3 HIS A 184 -1.034 -6.345 9.056 1.00 0.00 H new ATOM 0 HD2 HIS A 184 -1.812 -2.504 9.650 1.00 0.00 H new ATOM 0 HE1 HIS A 184 0.236 -4.060 13.026 1.00 0.00 H new ATOM 0 HE2 HIS A 184 -0.720 -1.956 11.954 1.00 0.00 H new ATOM 487 N CYS A 185 -2.246 -6.490 6.141 1.00 0.00 N ATOM 488 CA CYS A 185 -2.170 -7.553 5.145 1.00 0.00 C ATOM 489 C CYS A 185 -1.640 -7.019 3.818 1.00 0.00 C ATOM 490 O CYS A 185 -1.040 -7.755 3.036 1.00 0.00 O ATOM 491 CB CYS A 185 -3.546 -8.188 4.939 1.00 0.00 C ATOM 492 SG CYS A 185 -3.492 -9.923 4.434 1.00 0.00 S ATOM 0 H CYS A 185 -3.192 -6.274 6.456 1.00 0.00 H new ATOM 0 HA CYS A 185 -1.479 -8.312 5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 185 -4.113 -8.108 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 185 -4.088 -7.618 4.184 1.00 0.00 H new ATOM 0 HG CYS A 185 -4.704 -10.370 4.287 1.00 0.00 H new ATOM 498 N ALA A 186 -1.868 -5.733 3.572 1.00 0.00 N ATOM 499 CA ALA A 186 -1.413 -5.099 2.340 1.00 0.00 C ATOM 500 C ALA A 186 0.092 -4.852 2.373 1.00 0.00 C ATOM 501 O ALA A 186 0.819 -5.264 1.470 1.00 0.00 O ATOM 502 CB ALA A 186 -2.159 -3.793 2.112 1.00 0.00 C ATOM 0 H ALA A 186 -2.365 -5.110 4.209 1.00 0.00 H new ATOM 0 HA ALA A 186 -1.626 -5.776 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 186 -1.809 -3.331 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 186 -3.228 -3.993 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 186 -1.975 -3.118 2.948 1.00 0.00 H new ATOM 508 N LYS A 187 0.553 -4.176 3.420 1.00 0.00 N ATOM 509 CA LYS A 187 1.971 -3.873 3.572 1.00 0.00 C ATOM 510 C LYS A 187 2.808 -5.146 3.508 1.00 0.00 C ATOM 511 O LYS A 187 3.907 -5.152 2.951 1.00 0.00 O ATOM 512 CB LYS A 187 2.220 -3.152 4.899 1.00 0.00 C ATOM 513 CG LYS A 187 1.974 -4.022 6.119 1.00 0.00 C ATOM 514 CD LYS A 187 2.543 -3.390 7.378 1.00 0.00 C ATOM 515 CE LYS A 187 2.432 -4.326 8.571 1.00 0.00 C ATOM 516 NZ LYS A 187 3.612 -5.229 8.679 1.00 0.00 N ATOM 0 H LYS A 187 -0.036 -3.827 4.177 1.00 0.00 H new ATOM 0 HA LYS A 187 2.269 -3.221 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 187 3.249 -2.793 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 187 1.575 -2.275 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 187 0.903 -4.182 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 187 2.427 -5.002 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 187 3.589 -3.129 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 187 2.013 -2.462 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 187 2.338 -3.740 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 187 1.525 -4.923 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 187 3.498 -5.851 9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 187 3.687 -5.807 7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 187 4.475 -4.660 8.791 1.00 0.00 H new ATOM 530 N THR A 188 2.282 -6.225 4.079 1.00 0.00 N ATOM 531 CA THR A 188 2.982 -7.504 4.086 1.00 0.00 C ATOM 532 C THR A 188 2.935 -8.163 2.713 1.00 0.00 C ATOM 533 O THR A 188 3.905 -8.786 2.279 1.00 0.00 O ATOM 534 CB THR A 188 2.380 -8.467 5.127 1.00 0.00 C ATOM 535 OG1 THR A 188 3.167 -9.661 5.203 1.00 0.00 O ATOM 536 CG2 THR A 188 0.945 -8.822 4.769 1.00 0.00 C ATOM 0 H THR A 188 1.374 -6.239 4.543 1.00 0.00 H new ATOM 0 HA THR A 188 4.019 -7.297 4.351 1.00 0.00 H new ATOM 0 HB THR A 188 2.384 -7.968 6.096 1.00 0.00 H new ATOM 0 HG1 THR A 188 2.778 -10.267 5.868 1.00 0.00 H new ATOM 0 HG21 THR A 188 0.541 -9.503 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 188 0.342 -7.914 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 188 0.922 -9.303 3.791 1.00 0.00 H new ATOM 544 N HIS A 189 1.802 -8.023 2.032 1.00 0.00 N ATOM 545 CA HIS A 189 1.630 -8.605 0.706 1.00 0.00 C ATOM 546 C HIS A 189 1.355 -7.520 -0.332 1.00 0.00 C ATOM 547 O HIS A 189 0.374 -7.591 -1.074 1.00 0.00 O ATOM 548 CB HIS A 189 0.487 -9.620 0.715 1.00 0.00 C ATOM 549 CG HIS A 189 0.636 -10.680 1.763 1.00 0.00 C ATOM 550 ND1 HIS A 189 1.834 -11.305 2.036 1.00 0.00 N ATOM 551 CD2 HIS A 189 -0.271 -11.222 2.608 1.00 0.00 C ATOM 552 CE1 HIS A 189 1.657 -12.188 3.003 1.00 0.00 C ATOM 553 NE2 HIS A 189 0.388 -12.157 3.368 1.00 0.00 N ATOM 0 H HIS A 189 0.990 -7.512 2.377 1.00 0.00 H new ATOM 0 HA HIS A 189 2.555 -9.114 0.437 1.00 0.00 H new ATOM 0 HB2 HIS A 189 -0.454 -9.094 0.873 1.00 0.00 H new ATOM 0 HB3 HIS A 189 0.426 -10.095 -0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 189 -1.318 -10.967 2.673 1.00 0.00 H new ATOM 0 HE1 HIS A 189 2.420 -12.826 3.423 1.00 0.00 H new ATOM 0 HE2 HIS A 189 -0.034 -12.734 4.096 1.00 0.00 H new ATOM 561 N LEU A 190 2.225 -6.518 -0.378 1.00 0.00 N ATOM 562 CA LEU A 190 2.076 -5.418 -1.324 1.00 0.00 C ATOM 563 C LEU A 190 2.175 -5.918 -2.762 1.00 0.00 C ATOM 564 O LEU A 190 1.364 -5.556 -3.613 1.00 0.00 O ATOM 565 CB LEU A 190 3.142 -4.351 -1.069 1.00 0.00 C ATOM 566 CG LEU A 190 2.751 -2.914 -1.416 1.00 0.00 C ATOM 567 CD1 LEU A 190 3.744 -1.931 -0.816 1.00 0.00 C ATOM 568 CD2 LEU A 190 2.665 -2.735 -2.925 1.00 0.00 C ATOM 0 H LEU A 190 3.041 -6.444 0.229 1.00 0.00 H new ATOM 0 HA LEU A 190 1.089 -4.979 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 190 3.418 -4.387 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 190 4.033 -4.612 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 190 1.769 -2.711 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 190 3.450 -0.914 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.756 -2.042 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 190 4.739 -2.132 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 190 2.386 -1.707 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 190 3.633 -2.956 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.914 -3.414 -3.330 1.00 0.00 H new ATOM 580 N ALA A 191 3.174 -6.755 -3.024 1.00 0.00 N ATOM 581 CA ALA A 191 3.376 -7.309 -4.357 1.00 0.00 C ATOM 582 C ALA A 191 2.062 -7.808 -4.949 1.00 0.00 C ATOM 583 O ALA A 191 1.634 -7.347 -6.007 1.00 0.00 O ATOM 584 CB ALA A 191 4.398 -8.436 -4.310 1.00 0.00 C ATOM 0 H ALA A 191 3.856 -7.064 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 191 3.756 -6.515 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 191 4.539 -8.841 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 191 5.347 -8.051 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 191 4.040 -9.224 -3.647 1.00 0.00 H new ATOM 590 N GLN A 192 1.429 -8.753 -4.261 1.00 0.00 N ATOM 591 CA GLN A 192 0.165 -9.314 -4.721 1.00 0.00 C ATOM 592 C GLN A 192 -0.792 -8.212 -5.164 1.00 0.00 C ATOM 593 O GLN A 192 -1.737 -8.460 -5.914 1.00 0.00 O ATOM 594 CB GLN A 192 -0.479 -10.151 -3.614 1.00 0.00 C ATOM 595 CG GLN A 192 0.339 -11.370 -3.219 1.00 0.00 C ATOM 596 CD GLN A 192 0.567 -12.321 -4.377 1.00 0.00 C ATOM 597 OE1 GLN A 192 1.616 -12.293 -5.021 1.00 0.00 O ATOM 598 NE2 GLN A 192 -0.418 -13.169 -4.649 1.00 0.00 N ATOM 0 H GLN A 192 1.771 -9.146 -3.384 1.00 0.00 H new ATOM 0 HA GLN A 192 0.372 -9.955 -5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 192 -0.628 -9.523 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -1.465 -10.477 -3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 192 1.302 -11.044 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 192 -0.171 -11.900 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -1.270 -13.157 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -0.322 -13.832 -5.418 1.00 0.00 H new ATOM 607 N LEU A 193 -0.541 -6.995 -4.694 1.00 0.00 N ATOM 608 CA LEU A 193 -1.381 -5.853 -5.041 1.00 0.00 C ATOM 609 C LEU A 193 -0.678 -4.946 -6.046 1.00 0.00 C ATOM 610 O LEU A 193 -1.326 -4.236 -6.814 1.00 0.00 O ATOM 611 CB LEU A 193 -1.740 -5.059 -3.784 1.00 0.00 C ATOM 612 CG LEU A 193 -2.065 -5.885 -2.539 1.00 0.00 C ATOM 613 CD1 LEU A 193 -2.020 -5.013 -1.294 1.00 0.00 C ATOM 614 CD2 LEU A 193 -3.428 -6.547 -2.679 1.00 0.00 C ATOM 0 H LEU A 193 0.237 -6.773 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 193 -2.296 -6.231 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.909 -4.395 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -2.599 -4.427 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 193 -1.312 -6.667 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.254 -5.618 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -1.023 -4.586 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.751 -4.210 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -3.643 -7.131 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -4.193 -5.781 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -3.426 -7.204 -3.549 1.00 0.00 H new ATOM 626 N GLN A 194 0.651 -4.978 -6.036 1.00 0.00 N ATOM 627 CA GLN A 194 1.441 -4.159 -6.948 1.00 0.00 C ATOM 628 C GLN A 194 1.243 -4.607 -8.392 1.00 0.00 C ATOM 629 O GLN A 194 1.416 -3.823 -9.324 1.00 0.00 O ATOM 630 CB GLN A 194 2.923 -4.231 -6.578 1.00 0.00 C ATOM 631 CG GLN A 194 3.676 -5.341 -7.294 1.00 0.00 C ATOM 632 CD GLN A 194 5.093 -5.510 -6.782 1.00 0.00 C ATOM 633 OE1 GLN A 194 5.698 -6.571 -6.936 1.00 0.00 O ATOM 634 NE2 GLN A 194 5.629 -4.463 -6.167 1.00 0.00 N ATOM 0 H GLN A 194 1.203 -5.562 -5.407 1.00 0.00 H new ATOM 0 HA GLN A 194 1.101 -3.127 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 194 3.394 -3.276 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 194 3.013 -4.378 -5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 194 3.135 -6.279 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 194 3.703 -5.126 -8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 194 5.091 -3.603 -6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 194 6.579 -4.519 -5.800 1.00 0.00 H new ATOM 643 N ASN A 195 0.880 -5.873 -8.569 1.00 0.00 N ATOM 644 CA ASN A 195 0.660 -6.426 -9.901 1.00 0.00 C ATOM 645 C ASN A 195 -0.801 -6.278 -10.316 1.00 0.00 C ATOM 646 O ASN A 195 -1.201 -6.726 -11.391 1.00 0.00 O ATOM 647 CB ASN A 195 1.064 -7.901 -9.936 1.00 0.00 C ATOM 648 CG ASN A 195 2.569 -8.088 -9.967 1.00 0.00 C ATOM 649 OD1 ASN A 195 3.243 -7.630 -10.890 1.00 0.00 O ATOM 650 ND2 ASN A 195 3.102 -8.763 -8.955 1.00 0.00 N ATOM 0 H ASN A 195 0.732 -6.535 -7.808 1.00 0.00 H new ATOM 0 HA ASN A 195 1.278 -5.870 -10.605 1.00 0.00 H new ATOM 0 HB2 ASN A 195 0.656 -8.408 -9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.624 -8.375 -10.813 1.00 0.00 H new ATOM 0 HD21 ASN A 195 4.109 -8.920 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 195 2.504 -9.124 -8.212 1.00 0.00 H new ATOM 657 N THR A 196 -1.593 -5.644 -9.457 1.00 0.00 N ATOM 658 CA THR A 196 -3.009 -5.436 -9.734 1.00 0.00 C ATOM 659 C THR A 196 -3.294 -3.978 -10.075 1.00 0.00 C ATOM 660 O THR A 196 -2.525 -3.086 -9.719 1.00 0.00 O ATOM 661 CB THR A 196 -3.883 -5.852 -8.536 1.00 0.00 C ATOM 662 OG1 THR A 196 -3.617 -4.999 -7.417 1.00 0.00 O ATOM 663 CG2 THR A 196 -3.619 -7.300 -8.150 1.00 0.00 C ATOM 0 H THR A 196 -1.278 -5.266 -8.564 1.00 0.00 H new ATOM 0 HA THR A 196 -3.259 -6.062 -10.591 1.00 0.00 H new ATOM 0 HB THR A 196 -4.929 -5.755 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 196 -2.783 -4.508 -7.571 1.00 0.00 H new ATOM 0 HG21 THR A 196 -4.248 -7.571 -7.302 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.849 -7.949 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A 196 -2.570 -7.418 -7.877 1.00 0.00 H new ATOM 671 N GLU A 197 -4.405 -3.743 -10.766 1.00 0.00 N ATOM 672 CA GLU A 197 -4.791 -2.392 -11.155 1.00 0.00 C ATOM 673 C GLU A 197 -5.252 -1.588 -9.943 1.00 0.00 C ATOM 674 O GLU A 197 -4.797 -0.466 -9.720 1.00 0.00 O ATOM 675 CB GLU A 197 -5.904 -2.437 -12.204 1.00 0.00 C ATOM 676 CG GLU A 197 -5.506 -3.154 -13.483 1.00 0.00 C ATOM 677 CD GLU A 197 -6.568 -3.057 -14.561 1.00 0.00 C ATOM 678 OE1 GLU A 197 -7.714 -3.482 -14.305 1.00 0.00 O ATOM 679 OE2 GLU A 197 -6.253 -2.556 -15.661 1.00 0.00 O ATOM 0 H GLU A 197 -5.053 -4.470 -11.068 1.00 0.00 H new ATOM 0 HA GLU A 197 -3.917 -1.902 -11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -6.775 -2.932 -11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -6.204 -1.418 -12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -4.574 -2.731 -13.857 1.00 0.00 H new ATOM 0 HG3 GLU A 197 -5.313 -4.204 -13.262 1.00 0.00 H new ATOM 686 N GLU A 198 -6.159 -2.170 -9.164 1.00 0.00 N ATOM 687 CA GLU A 198 -6.682 -1.507 -7.975 1.00 0.00 C ATOM 688 C GLU A 198 -5.585 -0.722 -7.262 1.00 0.00 C ATOM 689 O GLU A 198 -5.652 0.502 -7.153 1.00 0.00 O ATOM 690 CB GLU A 198 -7.294 -2.533 -7.019 1.00 0.00 C ATOM 691 CG GLU A 198 -8.764 -2.811 -7.284 1.00 0.00 C ATOM 692 CD GLU A 198 -8.988 -3.614 -8.551 1.00 0.00 C ATOM 693 OE1 GLU A 198 -9.132 -2.998 -9.627 1.00 0.00 O ATOM 694 OE2 GLU A 198 -9.018 -4.859 -8.465 1.00 0.00 O ATOM 0 H GLU A 198 -6.546 -3.098 -9.335 1.00 0.00 H new ATOM 0 HA GLU A 198 -7.457 -0.809 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 198 -6.737 -3.467 -7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 198 -7.179 -2.177 -5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 198 -9.186 -3.351 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 198 -9.301 -1.865 -7.358 1.00 0.00 H new ATOM 701 N PHE A 199 -4.575 -1.437 -6.776 1.00 0.00 N ATOM 702 CA PHE A 199 -3.464 -0.809 -6.072 1.00 0.00 C ATOM 703 C PHE A 199 -3.033 0.477 -6.771 1.00 0.00 C ATOM 704 O PHE A 199 -3.057 1.557 -6.180 1.00 0.00 O ATOM 705 CB PHE A 199 -2.280 -1.774 -5.980 1.00 0.00 C ATOM 706 CG PHE A 199 -1.022 -1.133 -5.466 1.00 0.00 C ATOM 707 CD1 PHE A 199 -0.927 -0.722 -4.146 1.00 0.00 C ATOM 708 CD2 PHE A 199 0.065 -0.942 -6.303 1.00 0.00 C ATOM 709 CE1 PHE A 199 0.228 -0.132 -3.672 1.00 0.00 C ATOM 710 CE2 PHE A 199 1.224 -0.352 -5.834 1.00 0.00 C ATOM 711 CZ PHE A 199 1.306 0.053 -4.516 1.00 0.00 C ATOM 0 H PHE A 199 -4.504 -2.451 -6.857 1.00 0.00 H new ATOM 0 HA PHE A 199 -3.800 -0.559 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 199 -2.548 -2.604 -5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 199 -2.087 -2.195 -6.967 1.00 0.00 H new ATOM 0 HD1 PHE A 199 -1.766 -0.865 -3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 199 0.006 -1.258 -7.334 1.00 0.00 H new ATOM 0 HE1 PHE A 199 0.289 0.185 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 199 2.064 -0.208 -6.497 1.00 0.00 H new ATOM 0 HZ PHE A 199 2.210 0.513 -4.146 1.00 0.00 H new ATOM 721 N LEU A 200 -2.639 0.352 -8.034 1.00 0.00 N ATOM 722 CA LEU A 200 -2.201 1.504 -8.816 1.00 0.00 C ATOM 723 C LEU A 200 -3.310 2.547 -8.915 1.00 0.00 C ATOM 724 O LEU A 200 -3.047 3.726 -9.157 1.00 0.00 O ATOM 725 CB LEU A 200 -1.775 1.061 -10.217 1.00 0.00 C ATOM 726 CG LEU A 200 -0.748 -0.069 -10.280 1.00 0.00 C ATOM 727 CD1 LEU A 200 -0.941 -0.896 -11.542 1.00 0.00 C ATOM 728 CD2 LEU A 200 0.666 0.490 -10.218 1.00 0.00 C ATOM 0 H LEU A 200 -2.614 -0.534 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.348 1.954 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.665 0.747 -10.763 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -1.367 1.925 -10.741 1.00 0.00 H new ATOM 0 HG LEU A 200 -0.898 -0.718 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -0.201 -1.696 -11.570 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -1.942 -1.328 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -0.819 -0.258 -12.417 1.00 0.00 H new ATOM 0 HD21 LEU A 200 1.383 -0.329 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 200 0.829 1.163 -11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.800 1.038 -9.285 1.00 0.00 H new ATOM 740 N HIS A 201 -4.549 2.107 -8.724 1.00 0.00 N ATOM 741 CA HIS A 201 -5.698 3.003 -8.789 1.00 0.00 C ATOM 742 C HIS A 201 -5.955 3.655 -7.434 1.00 0.00 C ATOM 743 O HIS A 201 -6.736 4.602 -7.327 1.00 0.00 O ATOM 744 CB HIS A 201 -6.942 2.241 -9.246 1.00 0.00 C ATOM 745 CG HIS A 201 -7.074 2.148 -10.735 1.00 0.00 C ATOM 746 ND1 HIS A 201 -8.081 2.771 -11.442 1.00 0.00 N ATOM 747 CD2 HIS A 201 -6.318 1.501 -11.652 1.00 0.00 C ATOM 748 CE1 HIS A 201 -7.939 2.510 -12.729 1.00 0.00 C ATOM 749 NE2 HIS A 201 -6.876 1.741 -12.883 1.00 0.00 N ATOM 0 H HIS A 201 -4.783 1.135 -8.523 1.00 0.00 H new ATOM 0 HA HIS A 201 -5.476 3.786 -9.514 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -6.915 1.235 -8.828 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -7.827 2.731 -8.841 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -5.439 0.906 -11.452 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -8.582 2.865 -13.521 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -6.527 1.384 -13.772 1.00 0.00 H new ATOM 757 N LEU A 202 -5.296 3.142 -6.401 1.00 0.00 N ATOM 758 CA LEU A 202 -5.454 3.674 -5.052 1.00 0.00 C ATOM 759 C LEU A 202 -4.826 5.059 -4.936 1.00 0.00 C ATOM 760 O LEU A 202 -3.893 5.408 -5.659 1.00 0.00 O ATOM 761 CB LEU A 202 -4.819 2.727 -4.032 1.00 0.00 C ATOM 762 CG LEU A 202 -5.413 1.319 -3.963 1.00 0.00 C ATOM 763 CD1 LEU A 202 -4.585 0.436 -3.043 1.00 0.00 C ATOM 764 CD2 LEU A 202 -6.859 1.373 -3.494 1.00 0.00 C ATOM 0 H LEU A 202 -4.647 2.358 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 202 -6.521 3.760 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -3.756 2.641 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -4.899 3.182 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 202 -5.393 0.887 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -5.022 -0.562 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.565 0.371 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -4.573 0.865 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -7.265 0.363 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -6.903 1.825 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 202 -7.446 1.971 -4.192 1.00 0.00 H new ATOM 776 N PRO A 203 -5.348 5.869 -4.003 1.00 0.00 N ATOM 777 CA PRO A 203 -4.853 7.229 -3.767 1.00 0.00 C ATOM 778 C PRO A 203 -3.464 7.239 -3.139 1.00 0.00 C ATOM 779 O PRO A 203 -2.759 6.229 -3.151 1.00 0.00 O ATOM 780 CB PRO A 203 -5.882 7.818 -2.799 1.00 0.00 C ATOM 781 CG PRO A 203 -6.464 6.639 -2.100 1.00 0.00 C ATOM 782 CD PRO A 203 -6.462 5.520 -3.105 1.00 0.00 C ATOM 0 HA PRO A 203 -4.749 7.792 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.414 8.505 -2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -6.649 8.381 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -5.875 6.376 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -7.476 6.851 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -6.306 4.552 -2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -7.408 5.461 -3.643 1.00 0.00 H new ATOM 790 N HIS A 204 -3.075 8.386 -2.591 1.00 0.00 N ATOM 791 CA HIS A 204 -1.769 8.526 -1.956 1.00 0.00 C ATOM 792 C HIS A 204 -1.868 8.291 -0.452 1.00 0.00 C ATOM 793 O HIS A 204 -1.004 7.648 0.144 1.00 0.00 O ATOM 794 CB HIS A 204 -1.192 9.915 -2.231 1.00 0.00 C ATOM 795 CG HIS A 204 0.056 10.209 -1.457 1.00 0.00 C ATOM 796 ND1 HIS A 204 0.070 10.987 -0.318 1.00 0.00 N ATOM 797 CD2 HIS A 204 1.337 9.823 -1.663 1.00 0.00 C ATOM 798 CE1 HIS A 204 1.305 11.068 0.142 1.00 0.00 C ATOM 799 NE2 HIS A 204 2.093 10.370 -0.656 1.00 0.00 N ATOM 0 H HIS A 204 -3.645 9.232 -2.574 1.00 0.00 H new ATOM 0 HA HIS A 204 -1.103 7.774 -2.380 1.00 0.00 H new ATOM 0 HB2 HIS A 204 -0.979 10.007 -3.296 1.00 0.00 H new ATOM 0 HB3 HIS A 204 -1.944 10.666 -1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 204 1.697 9.201 -2.469 1.00 0.00 H new ATOM 0 HE1 HIS A 204 1.618 11.612 1.021 1.00 0.00 H new ATOM 0 HE2 HIS A 204 3.100 10.256 -0.542 1.00 0.00 H new ATOM 807 N ARG A 205 -2.926 8.818 0.156 1.00 0.00 N ATOM 808 CA ARG A 205 -3.136 8.668 1.591 1.00 0.00 C ATOM 809 C ARG A 205 -3.057 7.200 2.001 1.00 0.00 C ATOM 810 O ARG A 205 -2.315 6.839 2.915 1.00 0.00 O ATOM 811 CB ARG A 205 -4.494 9.248 1.993 1.00 0.00 C ATOM 812 CG ARG A 205 -4.611 9.550 3.478 1.00 0.00 C ATOM 813 CD ARG A 205 -3.968 10.883 3.827 1.00 0.00 C ATOM 814 NE ARG A 205 -4.501 11.438 5.068 1.00 0.00 N ATOM 815 CZ ARG A 205 -4.294 12.690 5.462 1.00 0.00 C ATOM 816 NH1 ARG A 205 -3.570 13.512 4.714 1.00 0.00 N ATOM 817 NH2 ARG A 205 -4.812 13.122 6.604 1.00 0.00 N ATOM 0 H ARG A 205 -3.651 9.353 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 205 -2.347 9.215 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -4.670 10.164 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -5.278 8.545 1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -5.662 9.565 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -4.135 8.754 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -2.890 10.752 3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -4.133 11.589 3.013 1.00 0.00 H new ATOM 0 HE ARG A 205 -5.063 10.831 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -3.171 13.183 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -3.412 14.473 5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -5.370 12.493 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -4.652 14.083 6.905 1.00 0.00 H new ATOM 831 N LEU A 206 -3.826 6.358 1.319 1.00 0.00 N ATOM 832 CA LEU A 206 -3.843 4.929 1.612 1.00 0.00 C ATOM 833 C LEU A 206 -2.495 4.291 1.292 1.00 0.00 C ATOM 834 O LEU A 206 -1.948 3.535 2.095 1.00 0.00 O ATOM 835 CB LEU A 206 -4.950 4.238 0.814 1.00 0.00 C ATOM 836 CG LEU A 206 -6.329 4.198 1.474 1.00 0.00 C ATOM 837 CD1 LEU A 206 -7.090 5.485 1.199 1.00 0.00 C ATOM 838 CD2 LEU A 206 -7.119 2.993 0.985 1.00 0.00 C ATOM 0 H LEU A 206 -4.446 6.640 0.560 1.00 0.00 H new ATOM 0 HA LEU A 206 -4.039 4.804 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 206 -5.045 4.741 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 206 -4.638 3.214 0.609 1.00 0.00 H new ATOM 0 HG LEU A 206 -6.193 4.105 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 206 -8.069 5.438 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 206 -6.531 6.331 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 206 -7.217 5.610 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 206 -8.098 2.980 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 206 -7.246 3.055 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 206 -6.580 2.079 1.235 1.00 0.00 H new ATOM 850 N LEU A 207 -1.964 4.602 0.115 1.00 0.00 N ATOM 851 CA LEU A 207 -0.678 4.061 -0.312 1.00 0.00 C ATOM 852 C LEU A 207 0.419 4.412 0.688 1.00 0.00 C ATOM 853 O LEU A 207 0.978 3.535 1.347 1.00 0.00 O ATOM 854 CB LEU A 207 -0.312 4.597 -1.697 1.00 0.00 C ATOM 855 CG LEU A 207 1.102 4.281 -2.186 1.00 0.00 C ATOM 856 CD1 LEU A 207 1.233 2.804 -2.524 1.00 0.00 C ATOM 857 CD2 LEU A 207 1.454 5.140 -3.392 1.00 0.00 C ATOM 0 H LEU A 207 -2.404 5.226 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 207 -0.766 2.976 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 207 -1.023 4.196 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 207 -0.440 5.679 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 207 1.803 4.512 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 207 2.246 2.598 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 207 1.025 2.208 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 207 0.522 2.546 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 207 2.464 4.902 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 207 0.748 4.941 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 207 1.402 6.193 -3.116 1.00 0.00 H new ATOM 869 N THR A 208 0.721 5.702 0.799 1.00 0.00 N ATOM 870 CA THR A 208 1.750 6.170 1.719 1.00 0.00 C ATOM 871 C THR A 208 1.574 5.551 3.101 1.00 0.00 C ATOM 872 O THR A 208 2.551 5.194 3.761 1.00 0.00 O ATOM 873 CB THR A 208 1.731 7.704 1.850 1.00 0.00 C ATOM 874 OG1 THR A 208 2.910 8.153 2.528 1.00 0.00 O ATOM 875 CG2 THR A 208 0.497 8.167 2.610 1.00 0.00 C ATOM 0 H THR A 208 0.267 6.441 0.263 1.00 0.00 H new ATOM 0 HA THR A 208 2.709 5.860 1.304 1.00 0.00 H new ATOM 0 HB THR A 208 1.703 8.131 0.848 1.00 0.00 H new ATOM 0 HG1 THR A 208 2.891 9.130 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 208 0.506 9.254 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 208 -0.399 7.849 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 208 0.499 7.730 3.608 1.00 0.00 H new ATOM 883 N ASP A 209 0.324 5.425 3.533 1.00 0.00 N ATOM 884 CA ASP A 209 0.021 4.847 4.837 1.00 0.00 C ATOM 885 C ASP A 209 0.567 3.426 4.942 1.00 0.00 C ATOM 886 O ASP A 209 1.427 3.142 5.776 1.00 0.00 O ATOM 887 CB ASP A 209 -1.490 4.845 5.078 1.00 0.00 C ATOM 888 CG ASP A 209 -1.979 6.140 5.695 1.00 0.00 C ATOM 889 OD1 ASP A 209 -1.445 7.209 5.333 1.00 0.00 O ATOM 890 OD2 ASP A 209 -2.898 6.085 6.539 1.00 0.00 O ATOM 0 H ASP A 209 -0.495 5.715 2.999 1.00 0.00 H new ATOM 0 HA ASP A 209 0.503 5.459 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 209 -2.006 4.679 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 209 -1.750 4.013 5.733 1.00 0.00 H new ATOM 895 N ILE A 210 0.061 2.539 4.092 1.00 0.00 N ATOM 896 CA ILE A 210 0.499 1.149 4.090 1.00 0.00 C ATOM 897 C ILE A 210 2.016 1.050 4.204 1.00 0.00 C ATOM 898 O ILE A 210 2.539 0.334 5.059 1.00 0.00 O ATOM 899 CB ILE A 210 0.043 0.417 2.814 1.00 0.00 C ATOM 900 CG1 ILE A 210 -1.482 0.454 2.697 1.00 0.00 C ATOM 901 CG2 ILE A 210 0.544 -1.019 2.819 1.00 0.00 C ATOM 902 CD1 ILE A 210 -1.979 0.444 1.268 1.00 0.00 C ATOM 0 H ILE A 210 -0.652 2.758 3.396 1.00 0.00 H new ATOM 0 HA ILE A 210 0.040 0.673 4.956 1.00 0.00 H new ATOM 0 HB ILE A 210 0.468 0.926 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 210 -1.900 -0.404 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -1.855 1.348 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.213 -1.523 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 210 1.633 -1.024 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.145 -1.541 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -3.069 0.472 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.591 1.316 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.636 -0.463 0.770 1.00 0.00 H new ATOM 914 N ILE A 211 2.718 1.774 3.338 1.00 0.00 N ATOM 915 CA ILE A 211 4.175 1.770 3.344 1.00 0.00 C ATOM 916 C ILE A 211 4.722 2.463 4.588 1.00 0.00 C ATOM 917 O ILE A 211 5.774 2.090 5.107 1.00 0.00 O ATOM 918 CB ILE A 211 4.745 2.462 2.092 1.00 0.00 C ATOM 919 CG1 ILE A 211 4.391 3.951 2.100 1.00 0.00 C ATOM 920 CG2 ILE A 211 4.218 1.794 0.831 1.00 0.00 C ATOM 921 CD1 ILE A 211 5.157 4.759 1.076 1.00 0.00 C ATOM 0 H ILE A 211 2.301 2.371 2.624 1.00 0.00 H new ATOM 0 HA ILE A 211 4.487 0.726 3.346 1.00 0.00 H new ATOM 0 HB ILE A 211 5.831 2.365 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 211 3.323 4.063 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 211 4.587 4.358 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 211 4.630 2.295 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 211 4.515 0.745 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 211 3.130 1.863 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 211 4.856 5.805 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 211 6.226 4.677 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 211 4.942 4.378 0.077 1.00 0.00 H new ATOM 933 N SER A 212 3.999 3.473 5.062 1.00 0.00 N ATOM 934 CA SER A 212 4.413 4.220 6.244 1.00 0.00 C ATOM 935 C SER A 212 4.521 3.301 7.457 1.00 0.00 C ATOM 936 O SER A 212 5.389 3.482 8.311 1.00 0.00 O ATOM 937 CB SER A 212 3.421 5.349 6.532 1.00 0.00 C ATOM 938 OG SER A 212 3.853 6.140 7.625 1.00 0.00 O ATOM 0 H SER A 212 3.124 3.793 4.646 1.00 0.00 H new ATOM 0 HA SER A 212 5.395 4.650 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.311 5.975 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 212 2.439 4.928 6.749 1.00 0.00 H new ATOM 0 HG SER A 212 3.203 6.855 7.788 1.00 0.00 H new ATOM 944 N ASP A 213 3.633 2.315 7.525 1.00 0.00 N ATOM 945 CA ASP A 213 3.628 1.366 8.632 1.00 0.00 C ATOM 946 C ASP A 213 4.801 0.397 8.523 1.00 0.00 C ATOM 947 O ASP A 213 5.145 -0.288 9.485 1.00 0.00 O ATOM 948 CB ASP A 213 2.310 0.590 8.661 1.00 0.00 C ATOM 949 CG ASP A 213 2.197 -0.315 9.872 1.00 0.00 C ATOM 950 OD1 ASP A 213 2.692 -1.459 9.807 1.00 0.00 O ATOM 951 OD2 ASP A 213 1.614 0.123 10.886 1.00 0.00 O ATOM 0 H ASP A 213 2.908 2.152 6.827 1.00 0.00 H new ATOM 0 HA ASP A 213 3.730 1.928 9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.477 1.294 8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 213 2.224 -0.009 7.754 1.00 0.00 H new ATOM 956 N GLY A 214 5.411 0.345 7.342 1.00 0.00 N ATOM 957 CA GLY A 214 6.538 -0.544 7.129 1.00 0.00 C ATOM 958 C GLY A 214 6.254 -1.598 6.076 1.00 0.00 C ATOM 959 O GLY A 214 5.105 -1.992 5.876 1.00 0.00 O ATOM 0 H GLY A 214 5.145 0.902 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 214 7.407 0.041 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 214 6.794 -1.033 8.069 1.00 0.00 H new ATOM 963 N VAL A 215 7.303 -2.054 5.400 1.00 0.00 N ATOM 964 CA VAL A 215 7.162 -3.068 4.362 1.00 0.00 C ATOM 965 C VAL A 215 8.368 -3.999 4.334 1.00 0.00 C ATOM 966 O VAL A 215 9.519 -3.563 4.300 1.00 0.00 O ATOM 967 CB VAL A 215 6.989 -2.428 2.972 1.00 0.00 C ATOM 968 CG1 VAL A 215 7.317 -3.431 1.877 1.00 0.00 C ATOM 969 CG2 VAL A 215 5.577 -1.887 2.806 1.00 0.00 C ATOM 0 H VAL A 215 8.260 -1.737 5.553 1.00 0.00 H new ATOM 0 HA VAL A 215 6.268 -3.644 4.603 1.00 0.00 H new ATOM 0 HB VAL A 215 7.685 -1.594 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 215 7.189 -2.960 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 215 8.349 -3.764 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 215 6.648 -4.288 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 215 5.473 -1.438 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 215 4.860 -2.702 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 215 5.384 -1.133 3.569 1.00 0.00 H new ATOM 979 N PRO A 216 8.102 -5.314 4.350 1.00 0.00 N ATOM 980 CA PRO A 216 9.153 -6.335 4.326 1.00 0.00 C ATOM 981 C PRO A 216 9.871 -6.396 2.982 1.00 0.00 C ATOM 982 O PRO A 216 9.240 -6.553 1.937 1.00 0.00 O ATOM 983 CB PRO A 216 8.390 -7.636 4.584 1.00 0.00 C ATOM 984 CG PRO A 216 7.003 -7.361 4.115 1.00 0.00 C ATOM 985 CD PRO A 216 6.754 -5.904 4.391 1.00 0.00 C ATOM 0 HA PRO A 216 9.935 -6.132 5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 216 8.834 -8.470 4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 216 8.405 -7.901 5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 216 6.900 -7.580 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 216 6.282 -7.987 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 216 6.098 -5.460 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 216 6.279 -5.754 5.361 1.00 0.00 H new ATOM 993 N CYS A 217 11.193 -6.273 3.017 1.00 0.00 N ATOM 994 CA CYS A 217 11.998 -6.314 1.801 1.00 0.00 C ATOM 995 C CYS A 217 11.485 -7.387 0.846 1.00 0.00 C ATOM 996 O CYS A 217 11.472 -7.196 -0.370 1.00 0.00 O ATOM 997 CB CYS A 217 13.465 -6.578 2.143 1.00 0.00 C ATOM 998 SG CYS A 217 14.574 -6.539 0.716 1.00 0.00 S ATOM 0 H CYS A 217 11.731 -6.144 3.874 1.00 0.00 H new ATOM 0 HA CYS A 217 11.917 -5.345 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 217 13.797 -5.835 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 217 13.545 -7.552 2.625 1.00 0.00 H new ATOM 0 HG CYS A 217 15.792 -6.771 1.107 1.00 0.00 H new ATOM 1004 N SER A 218 11.064 -8.517 1.405 1.00 0.00 N ATOM 1005 CA SER A 218 10.555 -9.624 0.603 1.00 0.00 C ATOM 1006 C SER A 218 9.656 -9.113 -0.518 1.00 0.00 C ATOM 1007 O SER A 218 9.825 -9.482 -1.680 1.00 0.00 O ATOM 1008 CB SER A 218 9.782 -10.607 1.485 1.00 0.00 C ATOM 1009 OG SER A 218 8.549 -10.052 1.907 1.00 0.00 O ATOM 0 H SER A 218 11.065 -8.690 2.410 1.00 0.00 H new ATOM 0 HA SER A 218 11.406 -10.139 0.157 1.00 0.00 H new ATOM 0 HB2 SER A 218 9.599 -11.529 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 218 10.383 -10.870 2.355 1.00 0.00 H new ATOM 0 HG SER A 218 7.815 -10.640 1.632 1.00 0.00 H new ATOM 1015 N GLN A 219 8.700 -8.262 -0.161 1.00 0.00 N ATOM 1016 CA GLN A 219 7.773 -7.701 -1.137 1.00 0.00 C ATOM 1017 C GLN A 219 8.345 -6.435 -1.766 1.00 0.00 C ATOM 1018 O GLN A 219 8.187 -5.339 -1.231 1.00 0.00 O ATOM 1019 CB GLN A 219 6.428 -7.393 -0.476 1.00 0.00 C ATOM 1020 CG GLN A 219 5.471 -8.574 -0.466 1.00 0.00 C ATOM 1021 CD GLN A 219 6.103 -9.833 0.095 1.00 0.00 C ATOM 1022 OE1 GLN A 219 6.045 -10.087 1.299 1.00 0.00 O ATOM 1023 NE2 GLN A 219 6.711 -10.629 -0.776 1.00 0.00 N ATOM 0 H GLN A 219 8.547 -7.946 0.797 1.00 0.00 H new ATOM 0 HA GLN A 219 7.623 -8.440 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 219 6.602 -7.069 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.958 -6.560 -0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 219 4.592 -8.319 0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 219 5.127 -8.767 -1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 219 6.735 -10.379 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 219 7.154 -11.490 -0.457 1.00 0.00 H new ATOM 1032 N ASN A 220 9.011 -6.596 -2.905 1.00 0.00 N ATOM 1033 CA ASN A 220 9.608 -5.465 -3.607 1.00 0.00 C ATOM 1034 C ASN A 220 8.774 -4.203 -3.413 1.00 0.00 C ATOM 1035 O ASN A 220 7.795 -3.961 -4.119 1.00 0.00 O ATOM 1036 CB ASN A 220 9.741 -5.778 -5.099 1.00 0.00 C ATOM 1037 CG ASN A 220 10.350 -7.144 -5.352 1.00 0.00 C ATOM 1038 OD1 ASN A 220 11.378 -7.495 -4.772 1.00 0.00 O ATOM 1039 ND2 ASN A 220 9.715 -7.922 -6.220 1.00 0.00 N ATOM 0 H ASN A 220 9.151 -7.498 -3.361 1.00 0.00 H new ATOM 0 HA ASN A 220 10.599 -5.291 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 220 8.758 -5.730 -5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 220 10.358 -5.015 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 220 10.076 -8.853 -6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 220 8.866 -7.589 -6.677 1.00 0.00 H new ATOM 1046 N PRO A 221 9.170 -3.377 -2.434 1.00 0.00 N ATOM 1047 CA PRO A 221 8.474 -2.124 -2.124 1.00 0.00 C ATOM 1048 C PRO A 221 8.656 -1.075 -3.216 1.00 0.00 C ATOM 1049 O PRO A 221 7.685 -0.489 -3.697 1.00 0.00 O ATOM 1050 CB PRO A 221 9.136 -1.662 -0.823 1.00 0.00 C ATOM 1051 CG PRO A 221 10.489 -2.284 -0.846 1.00 0.00 C ATOM 1052 CD PRO A 221 10.328 -3.601 -1.553 1.00 0.00 C ATOM 0 HA PRO A 221 7.396 -2.266 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 221 9.201 -0.575 -0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 221 8.566 -1.986 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 221 11.203 -1.646 -1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 221 10.869 -2.428 0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 221 11.220 -3.863 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 221 10.147 -4.414 -0.851 1.00 0.00 H new ATOM 1060 N THR A 222 9.906 -0.843 -3.605 1.00 0.00 N ATOM 1061 CA THR A 222 10.215 0.136 -4.639 1.00 0.00 C ATOM 1062 C THR A 222 9.413 -0.132 -5.907 1.00 0.00 C ATOM 1063 O THR A 222 8.809 0.778 -6.474 1.00 0.00 O ATOM 1064 CB THR A 222 11.716 0.134 -4.985 1.00 0.00 C ATOM 1065 OG1 THR A 222 12.063 -1.086 -5.649 1.00 0.00 O ATOM 1066 CG2 THR A 222 12.561 0.292 -3.729 1.00 0.00 C ATOM 0 H THR A 222 10.721 -1.320 -3.219 1.00 0.00 H new ATOM 0 HA THR A 222 9.943 1.113 -4.240 1.00 0.00 H new ATOM 0 HB THR A 222 11.916 0.977 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 222 13.018 -1.079 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 222 13.617 0.288 -3.998 1.00 0.00 H new ATOM 0 HG22 THR A 222 12.315 1.235 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 222 12.357 -0.534 -3.047 1.00 0.00 H new ATOM 1074 N GLU A 223 9.411 -1.387 -6.346 1.00 0.00 N ATOM 1075 CA GLU A 223 8.681 -1.773 -7.549 1.00 0.00 C ATOM 1076 C GLU A 223 7.283 -1.163 -7.556 1.00 0.00 C ATOM 1077 O GLU A 223 6.897 -0.481 -8.505 1.00 0.00 O ATOM 1078 CB GLU A 223 8.586 -3.297 -7.646 1.00 0.00 C ATOM 1079 CG GLU A 223 9.857 -3.956 -8.156 1.00 0.00 C ATOM 1080 CD GLU A 223 10.146 -3.620 -9.606 1.00 0.00 C ATOM 1081 OE1 GLU A 223 10.608 -2.490 -9.872 1.00 0.00 O ATOM 1082 OE2 GLU A 223 9.911 -4.485 -10.475 1.00 0.00 O ATOM 0 H GLU A 223 9.906 -2.153 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 223 9.227 -1.394 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 223 8.347 -3.701 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 223 7.760 -3.560 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 223 10.698 -3.640 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 223 9.770 -5.037 -8.048 1.00 0.00 H new ATOM 1089 N ALA A 224 6.528 -1.416 -6.492 1.00 0.00 N ATOM 1090 CA ALA A 224 5.173 -0.891 -6.375 1.00 0.00 C ATOM 1091 C ALA A 224 5.164 0.631 -6.465 1.00 0.00 C ATOM 1092 O ALA A 224 4.312 1.218 -7.133 1.00 0.00 O ATOM 1093 CB ALA A 224 4.541 -1.348 -5.069 1.00 0.00 C ATOM 0 H ALA A 224 6.832 -1.981 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 224 4.586 -1.281 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.530 -0.949 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.504 -2.437 -5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 224 5.136 -0.986 -4.231 1.00 0.00 H new ATOM 1099 N ILE A 225 6.116 1.265 -5.788 1.00 0.00 N ATOM 1100 CA ILE A 225 6.216 2.719 -5.792 1.00 0.00 C ATOM 1101 C ILE A 225 6.424 3.251 -7.206 1.00 0.00 C ATOM 1102 O ILE A 225 5.723 4.162 -7.646 1.00 0.00 O ATOM 1103 CB ILE A 225 7.372 3.206 -4.897 1.00 0.00 C ATOM 1104 CG1 ILE A 225 7.082 2.878 -3.431 1.00 0.00 C ATOM 1105 CG2 ILE A 225 7.589 4.700 -5.079 1.00 0.00 C ATOM 1106 CD1 ILE A 225 8.218 3.235 -2.497 1.00 0.00 C ATOM 0 H ILE A 225 6.829 0.794 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 225 5.275 3.102 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 225 8.285 2.688 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 225 6.184 3.411 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 225 6.869 1.813 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 225 8.409 5.029 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 225 7.835 4.908 -6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 225 6.679 5.236 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 225 7.944 2.975 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 225 9.113 2.682 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 225 8.417 4.305 -2.559 1.00 0.00 H new ATOM 1118 N GLU A 226 7.392 2.675 -7.913 1.00 0.00 N ATOM 1119 CA GLU A 226 7.691 3.092 -9.278 1.00 0.00 C ATOM 1120 C GLU A 226 6.444 3.018 -10.155 1.00 0.00 C ATOM 1121 O GLU A 226 6.170 3.925 -10.940 1.00 0.00 O ATOM 1122 CB GLU A 226 8.797 2.217 -9.871 1.00 0.00 C ATOM 1123 CG GLU A 226 10.088 2.240 -9.069 1.00 0.00 C ATOM 1124 CD GLU A 226 11.305 1.920 -9.913 1.00 0.00 C ATOM 1125 OE1 GLU A 226 11.239 0.962 -10.711 1.00 0.00 O ATOM 1126 OE2 GLU A 226 12.325 2.628 -9.775 1.00 0.00 O ATOM 0 H GLU A 226 7.981 1.920 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 226 8.032 4.127 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 226 8.439 1.190 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 226 9.005 2.549 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 226 10.213 3.224 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 226 10.017 1.521 -8.253 1.00 0.00 H new ATOM 1133 N ALA A 227 5.693 1.930 -10.015 1.00 0.00 N ATOM 1134 CA ALA A 227 4.475 1.738 -10.793 1.00 0.00 C ATOM 1135 C ALA A 227 3.393 2.725 -10.370 1.00 0.00 C ATOM 1136 O ALA A 227 3.038 3.631 -11.124 1.00 0.00 O ATOM 1137 CB ALA A 227 3.975 0.308 -10.645 1.00 0.00 C ATOM 0 H ALA A 227 5.907 1.169 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 227 4.709 1.923 -11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 227 3.065 0.178 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 227 4.738 -0.383 -11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 227 3.763 0.103 -9.596 1.00 0.00 H new ATOM 1143 N TRP A 228 2.872 2.544 -9.162 1.00 0.00 N ATOM 1144 CA TRP A 228 1.828 3.419 -8.641 1.00 0.00 C ATOM 1145 C TRP A 228 2.101 4.872 -9.011 1.00 0.00 C ATOM 1146 O TRP A 228 1.175 5.672 -9.147 1.00 0.00 O ATOM 1147 CB TRP A 228 1.727 3.277 -7.121 1.00 0.00 C ATOM 1148 CG TRP A 228 0.604 4.070 -6.524 1.00 0.00 C ATOM 1149 CD1 TRP A 228 -0.576 3.583 -6.039 1.00 0.00 C ATOM 1150 CD2 TRP A 228 0.556 5.490 -6.350 1.00 0.00 C ATOM 1151 NE1 TRP A 228 -1.355 4.615 -5.575 1.00 0.00 N ATOM 1152 CE2 TRP A 228 -0.683 5.795 -5.753 1.00 0.00 C ATOM 1153 CE3 TRP A 228 1.439 6.534 -6.638 1.00 0.00 C ATOM 1154 CZ2 TRP A 228 -1.058 7.099 -5.441 1.00 0.00 C ATOM 1155 CZ3 TRP A 228 1.065 7.828 -6.329 1.00 0.00 C ATOM 1156 CH2 TRP A 228 -0.174 8.101 -5.735 1.00 0.00 C ATOM 0 H TRP A 228 3.155 1.799 -8.525 1.00 0.00 H new ATOM 0 HA TRP A 228 0.881 3.121 -9.091 1.00 0.00 H new ATOM 0 HB2 TRP A 228 1.593 2.225 -6.870 1.00 0.00 H new ATOM 0 HB3 TRP A 228 2.667 3.595 -6.670 1.00 0.00 H new ATOM 0 HD1 TRP A 228 -0.856 2.540 -6.023 1.00 0.00 H new ATOM 0 HE1 TRP A 228 -2.284 4.518 -5.164 1.00 0.00 H new ATOM 0 HE3 TRP A 228 2.397 6.333 -7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 228 -2.013 7.312 -4.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 228 1.739 8.642 -6.549 1.00 0.00 H new ATOM 0 HH2 TRP A 228 -0.437 9.123 -5.505 1.00 0.00 H new ATOM 1167 N ILE A 229 3.377 5.207 -9.173 1.00 0.00 N ATOM 1168 CA ILE A 229 3.771 6.565 -9.529 1.00 0.00 C ATOM 1169 C ILE A 229 3.746 6.766 -11.041 1.00 0.00 C ATOM 1170 O ILE A 229 3.113 7.693 -11.543 1.00 0.00 O ATOM 1171 CB ILE A 229 5.178 6.900 -9.001 1.00 0.00 C ATOM 1172 CG1 ILE A 229 5.117 7.257 -7.515 1.00 0.00 C ATOM 1173 CG2 ILE A 229 5.786 8.042 -9.802 1.00 0.00 C ATOM 1174 CD1 ILE A 229 4.715 8.692 -7.255 1.00 0.00 C ATOM 0 H ILE A 229 4.155 4.557 -9.063 1.00 0.00 H new ATOM 0 HA ILE A 229 3.048 7.235 -9.064 1.00 0.00 H new ATOM 0 HB ILE A 229 5.813 6.022 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 229 4.408 6.594 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 229 6.093 7.074 -7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 229 6.781 8.267 -9.417 1.00 0.00 H new ATOM 0 HG22 ILE A 229 5.860 7.752 -10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 229 5.154 8.926 -9.713 1.00 0.00 H new ATOM 0 HD11 ILE A 229 4.692 8.875 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 229 5.437 9.362 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 229 3.726 8.875 -7.675 1.00 0.00 H new ATOM 1186 N ASN A 230 4.439 5.889 -11.760 1.00 0.00 N ATOM 1187 CA ASN A 230 4.495 5.969 -13.215 1.00 0.00 C ATOM 1188 C ASN A 230 3.131 6.331 -13.794 1.00 0.00 C ATOM 1189 O ASN A 230 3.036 7.073 -14.772 1.00 0.00 O ATOM 1190 CB ASN A 230 4.974 4.639 -13.802 1.00 0.00 C ATOM 1191 CG ASN A 230 6.486 4.534 -13.837 1.00 0.00 C ATOM 1192 OD1 ASN A 230 7.068 3.608 -13.271 1.00 0.00 O ATOM 1193 ND2 ASN A 230 7.130 5.485 -14.503 1.00 0.00 N ATOM 0 H ASN A 230 4.969 5.115 -11.359 1.00 0.00 H new ATOM 0 HA ASN A 230 5.203 6.753 -13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 230 4.569 3.817 -13.211 1.00 0.00 H new ATOM 0 HB3 ASN A 230 4.581 4.529 -14.813 1.00 0.00 H new ATOM 0 HD21 ASN A 230 8.148 5.467 -14.561 1.00 0.00 H new ATOM 0 HD22 ASN A 230 6.607 6.234 -14.957 1.00 0.00 H new ATOM 1200 N PHE A 231 2.076 5.804 -13.182 1.00 0.00 N ATOM 1201 CA PHE A 231 0.716 6.071 -13.635 1.00 0.00 C ATOM 1202 C PHE A 231 0.550 7.538 -14.022 1.00 0.00 C ATOM 1203 O PHE A 231 0.185 7.855 -15.153 1.00 0.00 O ATOM 1204 CB PHE A 231 -0.290 5.702 -12.543 1.00 0.00 C ATOM 1205 CG PHE A 231 -1.673 5.439 -13.067 1.00 0.00 C ATOM 1206 CD1 PHE A 231 -2.532 6.488 -13.353 1.00 0.00 C ATOM 1207 CD2 PHE A 231 -2.115 4.142 -13.273 1.00 0.00 C ATOM 1208 CE1 PHE A 231 -3.805 6.249 -13.835 1.00 0.00 C ATOM 1209 CE2 PHE A 231 -3.387 3.896 -13.755 1.00 0.00 C ATOM 1210 CZ PHE A 231 -4.233 4.951 -14.036 1.00 0.00 C ATOM 0 H PHE A 231 2.137 5.189 -12.370 1.00 0.00 H new ATOM 0 HA PHE A 231 0.526 5.458 -14.516 1.00 0.00 H new ATOM 0 HB2 PHE A 231 0.065 4.816 -12.017 1.00 0.00 H new ATOM 0 HB3 PHE A 231 -0.334 6.510 -11.813 1.00 0.00 H new ATOM 0 HD1 PHE A 231 -2.203 7.505 -13.197 1.00 0.00 H new ATOM 0 HD2 PHE A 231 -1.458 3.313 -13.054 1.00 0.00 H new ATOM 0 HE1 PHE A 231 -4.464 7.076 -14.054 1.00 0.00 H new ATOM 0 HE2 PHE A 231 -3.719 2.880 -13.912 1.00 0.00 H new ATOM 0 HZ PHE A 231 -5.227 4.761 -14.412 1.00 0.00 H new ATOM 1220 N ASN A 232 0.820 8.428 -13.072 1.00 0.00 N ATOM 1221 CA ASN A 232 0.700 9.861 -13.312 1.00 0.00 C ATOM 1222 C ASN A 232 1.955 10.597 -12.853 1.00 0.00 C ATOM 1223 O ASN A 232 1.876 11.667 -12.249 1.00 0.00 O ATOM 1224 CB ASN A 232 -0.526 10.420 -12.585 1.00 0.00 C ATOM 1225 CG ASN A 232 -0.973 11.755 -13.148 1.00 0.00 C ATOM 1226 OD1 ASN A 232 -1.301 11.864 -14.330 1.00 0.00 O ATOM 1227 ND2 ASN A 232 -0.988 12.779 -12.303 1.00 0.00 N ATOM 0 H ASN A 232 1.123 8.182 -12.130 1.00 0.00 H new ATOM 0 HA ASN A 232 0.581 10.015 -14.384 1.00 0.00 H new ATOM 0 HB2 ASN A 232 -1.346 9.705 -12.658 1.00 0.00 H new ATOM 0 HB3 ASN A 232 -0.296 10.534 -11.526 1.00 0.00 H new ATOM 0 HD21 ASN A 232 -1.280 13.702 -12.625 1.00 0.00 H new ATOM 0 HD22 ASN A 232 -0.708 12.643 -11.332 1.00 0.00 H new ATOM 1234 N LYS A 233 3.114 10.016 -13.145 1.00 0.00 N ATOM 1235 CA LYS A 233 4.388 10.615 -12.765 1.00 0.00 C ATOM 1236 C LYS A 233 4.444 12.083 -13.179 1.00 0.00 C ATOM 1237 O LYS A 233 5.094 12.897 -12.524 1.00 0.00 O ATOM 1238 CB LYS A 233 5.547 9.849 -13.408 1.00 0.00 C ATOM 1239 CG LYS A 233 6.858 9.986 -12.653 1.00 0.00 C ATOM 1240 CD LYS A 233 7.946 9.119 -13.264 1.00 0.00 C ATOM 1241 CE LYS A 233 9.254 9.241 -12.497 1.00 0.00 C ATOM 1242 NZ LYS A 233 9.153 8.654 -11.132 1.00 0.00 N ATOM 0 H LYS A 233 3.197 9.130 -13.644 1.00 0.00 H new ATOM 0 HA LYS A 233 4.479 10.557 -11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 233 5.283 8.793 -13.472 1.00 0.00 H new ATOM 0 HB3 LYS A 233 5.686 10.206 -14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 233 7.176 11.029 -12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 233 6.710 9.705 -11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 233 7.622 8.078 -13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 233 8.104 9.410 -14.303 1.00 0.00 H new ATOM 0 HE2 LYS A 233 10.048 8.739 -13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 233 9.534 10.292 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 10.100 8.602 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 8.539 9.251 -10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 8.749 7.698 -11.194 1.00 0.00 H new ATOM 1256 N GLU A 234 3.756 12.412 -14.268 1.00 0.00 N ATOM 1257 CA GLU A 234 3.728 13.782 -14.767 1.00 0.00 C ATOM 1258 C GLU A 234 3.768 14.782 -13.615 1.00 0.00 C ATOM 1259 O GLU A 234 4.562 15.723 -13.624 1.00 0.00 O ATOM 1260 CB GLU A 234 2.475 14.014 -15.614 1.00 0.00 C ATOM 1261 CG GLU A 234 1.185 13.617 -14.915 1.00 0.00 C ATOM 1262 CD GLU A 234 -0.032 13.766 -15.807 1.00 0.00 C ATOM 1263 OE1 GLU A 234 0.086 13.500 -17.021 1.00 0.00 O ATOM 1264 OE2 GLU A 234 -1.102 14.149 -15.290 1.00 0.00 O ATOM 0 H GLU A 234 3.212 11.750 -14.821 1.00 0.00 H new ATOM 0 HA GLU A 234 4.611 13.933 -15.388 1.00 0.00 H new ATOM 0 HB2 GLU A 234 2.421 15.068 -15.887 1.00 0.00 H new ATOM 0 HB3 GLU A 234 2.564 13.449 -16.542 1.00 0.00 H new ATOM 0 HG2 GLU A 234 1.261 12.582 -14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 234 1.055 14.231 -14.024 1.00 0.00 H new ATOM 1271 N GLU A 235 2.907 14.570 -12.624 1.00 0.00 N ATOM 1272 CA GLU A 235 2.844 15.453 -11.466 1.00 0.00 C ATOM 1273 C GLU A 235 3.114 14.681 -10.178 1.00 0.00 C ATOM 1274 O GLU A 235 3.715 15.207 -9.241 1.00 0.00 O ATOM 1275 CB GLU A 235 1.475 16.133 -11.389 1.00 0.00 C ATOM 1276 CG GLU A 235 1.409 17.255 -10.367 1.00 0.00 C ATOM 1277 CD GLU A 235 2.449 18.330 -10.613 1.00 0.00 C ATOM 1278 OE1 GLU A 235 2.798 18.559 -11.790 1.00 0.00 O ATOM 1279 OE2 GLU A 235 2.914 18.943 -9.630 1.00 0.00 O ATOM 0 H GLU A 235 2.244 13.795 -12.600 1.00 0.00 H new ATOM 0 HA GLU A 235 3.614 16.216 -11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 235 1.221 16.532 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 235 0.721 15.385 -11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 235 0.416 17.704 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 235 1.549 16.841 -9.369 1.00 0.00 H new ATOM 1286 N ARG A 236 2.664 13.431 -10.139 1.00 0.00 N ATOM 1287 CA ARG A 236 2.855 12.587 -8.966 1.00 0.00 C ATOM 1288 C ARG A 236 4.333 12.493 -8.598 1.00 0.00 C ATOM 1289 O ARG A 236 4.683 12.072 -7.496 1.00 0.00 O ATOM 1290 CB ARG A 236 2.293 11.187 -9.221 1.00 0.00 C ATOM 1291 CG ARG A 236 0.791 11.086 -9.007 1.00 0.00 C ATOM 1292 CD ARG A 236 0.323 9.640 -9.021 1.00 0.00 C ATOM 1293 NE ARG A 236 -0.962 9.474 -8.346 1.00 0.00 N ATOM 1294 CZ ARG A 236 -1.648 8.337 -8.341 1.00 0.00 C ATOM 1295 NH1 ARG A 236 -1.175 7.270 -8.970 1.00 0.00 N ATOM 1296 NH2 ARG A 236 -2.810 8.265 -7.704 1.00 0.00 N ATOM 0 H ARG A 236 2.165 12.981 -10.906 1.00 0.00 H new ATOM 0 HA ARG A 236 2.318 13.041 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 236 2.527 10.892 -10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 236 2.794 10.478 -8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 236 0.526 11.546 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 236 0.273 11.645 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 236 0.238 9.296 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 236 1.071 9.012 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 236 -1.354 10.275 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 236 -0.282 7.321 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 236 -1.704 6.398 -8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 236 -3.177 9.083 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 236 -3.336 7.391 -7.701 1.00 0.00 H new ATOM 1310 N GLU A 237 5.196 12.888 -9.530 1.00 0.00 N ATOM 1311 CA GLU A 237 6.636 12.847 -9.303 1.00 0.00 C ATOM 1312 C GLU A 237 6.972 13.239 -7.868 1.00 0.00 C ATOM 1313 O GLU A 237 7.722 12.544 -7.183 1.00 0.00 O ATOM 1314 CB GLU A 237 7.355 13.780 -10.280 1.00 0.00 C ATOM 1315 CG GLU A 237 8.717 14.241 -9.791 1.00 0.00 C ATOM 1316 CD GLU A 237 9.682 14.521 -10.927 1.00 0.00 C ATOM 1317 OE1 GLU A 237 9.838 13.643 -11.801 1.00 0.00 O ATOM 1318 OE2 GLU A 237 10.280 15.616 -10.942 1.00 0.00 O ATOM 0 H GLU A 237 4.923 13.239 -10.448 1.00 0.00 H new ATOM 0 HA GLU A 237 6.976 11.825 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 237 7.475 13.269 -11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 237 6.729 14.654 -10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 237 8.597 15.143 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 237 9.142 13.478 -9.138 1.00 0.00 H new ATOM 1325 N ALA A 238 6.413 14.358 -7.419 1.00 0.00 N ATOM 1326 CA ALA A 238 6.652 14.843 -6.065 1.00 0.00 C ATOM 1327 C ALA A 238 6.430 13.737 -5.040 1.00 0.00 C ATOM 1328 O ALA A 238 7.205 13.587 -4.095 1.00 0.00 O ATOM 1329 CB ALA A 238 5.753 16.033 -5.764 1.00 0.00 C ATOM 0 H ALA A 238 5.791 14.946 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 238 7.692 15.162 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 238 5.942 16.385 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 238 5.963 16.835 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 238 4.709 15.733 -5.855 1.00 0.00 H new ATOM 1335 N PHE A 239 5.366 12.964 -5.231 1.00 0.00 N ATOM 1336 CA PHE A 239 5.041 11.872 -4.320 1.00 0.00 C ATOM 1337 C PHE A 239 6.060 10.743 -4.439 1.00 0.00 C ATOM 1338 O PHE A 239 6.350 10.048 -3.465 1.00 0.00 O ATOM 1339 CB PHE A 239 3.636 11.338 -4.611 1.00 0.00 C ATOM 1340 CG PHE A 239 2.560 12.375 -4.468 1.00 0.00 C ATOM 1341 CD1 PHE A 239 2.437 13.108 -3.298 1.00 0.00 C ATOM 1342 CD2 PHE A 239 1.671 12.618 -5.502 1.00 0.00 C ATOM 1343 CE1 PHE A 239 1.446 14.063 -3.163 1.00 0.00 C ATOM 1344 CE2 PHE A 239 0.678 13.571 -5.374 1.00 0.00 C ATOM 1345 CZ PHE A 239 0.567 14.295 -4.203 1.00 0.00 C ATOM 0 H PHE A 239 4.714 13.073 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 239 5.072 12.260 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 239 3.611 10.937 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 239 3.423 10.510 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 239 3.123 12.931 -2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 239 1.755 12.056 -6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 239 1.359 14.627 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 239 -0.009 13.749 -6.188 1.00 0.00 H new ATOM 0 HZ PHE A 239 -0.206 15.042 -4.101 1.00 0.00 H new ATOM 1355 N ALA A 240 6.601 10.566 -5.640 1.00 0.00 N ATOM 1356 CA ALA A 240 7.590 9.523 -5.887 1.00 0.00 C ATOM 1357 C ALA A 240 8.829 9.726 -5.022 1.00 0.00 C ATOM 1358 O ALA A 240 9.206 8.848 -4.247 1.00 0.00 O ATOM 1359 CB ALA A 240 7.970 9.495 -7.360 1.00 0.00 C ATOM 0 H ALA A 240 6.371 11.131 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 240 7.146 8.564 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 240 8.709 8.712 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 240 7.083 9.294 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 240 8.391 10.459 -7.646 1.00 0.00 H new ATOM 1365 N GLU A 241 9.459 10.889 -5.162 1.00 0.00 N ATOM 1366 CA GLU A 241 10.658 11.205 -4.394 1.00 0.00 C ATOM 1367 C GLU A 241 10.366 11.182 -2.896 1.00 0.00 C ATOM 1368 O GLU A 241 11.071 10.530 -2.126 1.00 0.00 O ATOM 1369 CB GLU A 241 11.202 12.576 -4.798 1.00 0.00 C ATOM 1370 CG GLU A 241 10.174 13.691 -4.702 1.00 0.00 C ATOM 1371 CD GLU A 241 10.088 14.287 -3.310 1.00 0.00 C ATOM 1372 OE1 GLU A 241 11.116 14.292 -2.601 1.00 0.00 O ATOM 1373 OE2 GLU A 241 8.991 14.749 -2.931 1.00 0.00 O ATOM 0 H GLU A 241 9.159 11.627 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 241 11.409 10.446 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 241 12.053 12.822 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 241 11.574 12.523 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 241 10.428 14.476 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 241 9.196 13.304 -4.989 1.00 0.00 H new ATOM 1380 N SER A 242 9.322 11.898 -2.492 1.00 0.00 N ATOM 1381 CA SER A 242 8.939 11.964 -1.086 1.00 0.00 C ATOM 1382 C SER A 242 8.638 10.572 -0.540 1.00 0.00 C ATOM 1383 O SER A 242 8.934 10.269 0.617 1.00 0.00 O ATOM 1384 CB SER A 242 7.717 12.868 -0.911 1.00 0.00 C ATOM 1385 OG SER A 242 7.252 12.843 0.427 1.00 0.00 O ATOM 0 H SER A 242 8.726 12.440 -3.118 1.00 0.00 H new ATOM 0 HA SER A 242 9.775 12.382 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 242 7.973 13.890 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 242 6.922 12.544 -1.582 1.00 0.00 H new ATOM 0 HG SER A 242 6.472 13.430 0.513 1.00 0.00 H new ATOM 1391 N LEU A 243 8.047 9.728 -1.379 1.00 0.00 N ATOM 1392 CA LEU A 243 7.705 8.367 -0.981 1.00 0.00 C ATOM 1393 C LEU A 243 8.958 7.507 -0.850 1.00 0.00 C ATOM 1394 O LEU A 243 9.062 6.678 0.054 1.00 0.00 O ATOM 1395 CB LEU A 243 6.749 7.742 -1.999 1.00 0.00 C ATOM 1396 CG LEU A 243 5.278 8.141 -1.870 1.00 0.00 C ATOM 1397 CD1 LEU A 243 4.502 7.729 -3.111 1.00 0.00 C ATOM 1398 CD2 LEU A 243 4.664 7.519 -0.624 1.00 0.00 C ATOM 0 H LEU A 243 7.795 9.962 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 243 7.213 8.412 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 243 7.091 8.008 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 243 6.819 6.657 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 243 5.223 9.226 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 243 3.458 8.021 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 243 4.926 8.222 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 243 4.565 6.648 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 243 3.617 7.814 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 243 4.732 6.433 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 243 5.203 7.864 0.258 1.00 0.00 H new ATOM 1410 N ARG A 244 9.908 7.712 -1.757 1.00 0.00 N ATOM 1411 CA ARG A 244 11.155 6.956 -1.742 1.00 0.00 C ATOM 1412 C ARG A 244 11.900 7.162 -0.426 1.00 0.00 C ATOM 1413 O ARG A 244 12.387 6.208 0.181 1.00 0.00 O ATOM 1414 CB ARG A 244 12.044 7.374 -2.914 1.00 0.00 C ATOM 1415 CG ARG A 244 11.615 6.779 -4.246 1.00 0.00 C ATOM 1416 CD ARG A 244 12.677 6.984 -5.315 1.00 0.00 C ATOM 1417 NE ARG A 244 13.077 8.384 -5.428 1.00 0.00 N ATOM 1418 CZ ARG A 244 13.793 8.864 -6.438 1.00 0.00 C ATOM 1419 NH1 ARG A 244 14.186 8.061 -7.417 1.00 0.00 N ATOM 1420 NH2 ARG A 244 14.118 10.151 -6.471 1.00 0.00 N ATOM 0 H ARG A 244 9.838 8.395 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 244 10.910 5.898 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 244 12.039 8.461 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 244 13.071 7.074 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 244 11.421 5.713 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 244 10.680 7.239 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 244 13.550 6.375 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 244 12.296 6.637 -6.276 1.00 0.00 H new ATOM 0 HE ARG A 244 12.791 9.028 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 244 13.938 7.072 -7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 244 14.736 8.432 -8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 244 13.818 10.772 -5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 244 14.668 10.518 -7.247 1.00 0.00 H new ATOM 1434 N THR A 245 11.985 8.415 0.010 1.00 0.00 N ATOM 1435 CA THR A 245 12.671 8.748 1.252 1.00 0.00 C ATOM 1436 C THR A 245 11.881 8.265 2.463 1.00 0.00 C ATOM 1437 O THR A 245 12.459 7.830 3.459 1.00 0.00 O ATOM 1438 CB THR A 245 12.903 10.265 1.377 1.00 0.00 C ATOM 1439 OG1 THR A 245 13.598 10.556 2.594 1.00 0.00 O ATOM 1440 CG2 THR A 245 11.582 11.019 1.348 1.00 0.00 C ATOM 0 H THR A 245 11.587 9.216 -0.479 1.00 0.00 H new ATOM 0 HA THR A 245 13.636 8.242 1.225 1.00 0.00 H new ATOM 0 HB THR A 245 13.506 10.589 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 245 13.743 11.523 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 245 11.772 12.089 1.438 1.00 0.00 H new ATOM 0 HG22 THR A 245 11.070 10.819 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 245 10.957 10.690 2.178 1.00 0.00 H new ATOM 1448 N SER A 246 10.558 8.343 2.370 1.00 0.00 N ATOM 1449 CA SER A 246 9.688 7.916 3.460 1.00 0.00 C ATOM 1450 C SER A 246 9.623 6.394 3.539 1.00 0.00 C ATOM 1451 O SER A 246 9.411 5.824 4.610 1.00 0.00 O ATOM 1452 CB SER A 246 8.282 8.489 3.273 1.00 0.00 C ATOM 1453 OG SER A 246 8.188 9.796 3.813 1.00 0.00 O ATOM 0 H SER A 246 10.064 8.698 1.551 1.00 0.00 H new ATOM 0 HA SER A 246 10.105 8.293 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 246 8.033 8.512 2.212 1.00 0.00 H new ATOM 0 HB3 SER A 246 7.553 7.839 3.757 1.00 0.00 H new ATOM 0 HG SER A 246 7.280 10.141 3.679 1.00 0.00 H new ATOM 1459 N LEU A 247 9.807 5.740 2.397 1.00 0.00 N ATOM 1460 CA LEU A 247 9.769 4.283 2.334 1.00 0.00 C ATOM 1461 C LEU A 247 10.477 3.668 3.537 1.00 0.00 C ATOM 1462 O LEU A 247 11.558 4.110 3.928 1.00 0.00 O ATOM 1463 CB LEU A 247 10.419 3.792 1.040 1.00 0.00 C ATOM 1464 CG LEU A 247 10.341 2.287 0.779 1.00 0.00 C ATOM 1465 CD1 LEU A 247 10.612 1.985 -0.687 1.00 0.00 C ATOM 1466 CD2 LEU A 247 11.323 1.540 1.670 1.00 0.00 C ATOM 0 H LEU A 247 9.984 6.196 1.502 1.00 0.00 H new ATOM 0 HA LEU A 247 8.725 3.970 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 247 9.952 4.310 0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 247 11.469 4.085 1.050 1.00 0.00 H new ATOM 0 HG LEU A 247 9.333 1.947 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 247 10.552 0.910 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 247 9.870 2.490 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 247 11.608 2.339 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 247 11.254 0.471 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 247 12.336 1.883 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 247 11.083 1.731 2.716 1.00 0.00 H new ATOM 1478 N LYS A 248 9.862 2.645 4.120 1.00 0.00 N ATOM 1479 CA LYS A 248 10.434 1.966 5.277 1.00 0.00 C ATOM 1480 C LYS A 248 10.529 0.463 5.033 1.00 0.00 C ATOM 1481 O LYS A 248 9.557 -0.171 4.624 1.00 0.00 O ATOM 1482 CB LYS A 248 9.589 2.238 6.523 1.00 0.00 C ATOM 1483 CG LYS A 248 10.389 2.230 7.814 1.00 0.00 C ATOM 1484 CD LYS A 248 10.531 0.824 8.373 1.00 0.00 C ATOM 1485 CE LYS A 248 10.937 0.846 9.839 1.00 0.00 C ATOM 1486 NZ LYS A 248 9.755 0.933 10.740 1.00 0.00 N ATOM 0 H LYS A 248 8.967 2.267 3.810 1.00 0.00 H new ATOM 0 HA LYS A 248 11.440 2.356 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 248 9.099 3.206 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 248 8.802 1.487 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 248 11.377 2.652 7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 248 9.900 2.868 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 248 9.587 0.291 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 248 11.276 0.275 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 248 11.506 -0.054 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 248 11.596 1.695 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 10.073 0.946 11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 9.226 1.805 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 9.139 0.110 10.585 1.00 0.00 H new ATOM 1500 N GLU A 249 11.706 -0.100 5.288 1.00 0.00 N ATOM 1501 CA GLU A 249 11.927 -1.528 5.096 1.00 0.00 C ATOM 1502 C GLU A 249 12.154 -2.228 6.433 1.00 0.00 C ATOM 1503 O GLU A 249 12.777 -1.673 7.338 1.00 0.00 O ATOM 1504 CB GLU A 249 13.126 -1.763 4.175 1.00 0.00 C ATOM 1505 CG GLU A 249 12.893 -1.306 2.744 1.00 0.00 C ATOM 1506 CD GLU A 249 14.173 -0.874 2.055 1.00 0.00 C ATOM 1507 OE1 GLU A 249 15.235 -1.458 2.356 1.00 0.00 O ATOM 1508 OE2 GLU A 249 14.112 0.048 1.214 1.00 0.00 O ATOM 0 H GLU A 249 12.521 0.411 5.628 1.00 0.00 H new ATOM 0 HA GLU A 249 11.035 -1.948 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 249 13.992 -1.238 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 249 13.369 -2.825 4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 249 12.435 -2.117 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 249 12.186 -0.477 2.742 1.00 0.00 H new ATOM 1515 N ILE A 250 11.643 -3.449 6.549 1.00 0.00 N ATOM 1516 CA ILE A 250 11.790 -4.225 7.774 1.00 0.00 C ATOM 1517 C ILE A 250 12.356 -5.611 7.483 1.00 0.00 C ATOM 1518 O ILE A 250 12.470 -6.016 6.327 1.00 0.00 O ATOM 1519 CB ILE A 250 10.446 -4.376 8.510 1.00 0.00 C ATOM 1520 CG1 ILE A 250 9.312 -4.591 7.505 1.00 0.00 C ATOM 1521 CG2 ILE A 250 10.173 -3.153 9.371 1.00 0.00 C ATOM 1522 CD1 ILE A 250 7.946 -4.692 8.148 1.00 0.00 C ATOM 0 H ILE A 250 11.124 -3.922 5.810 1.00 0.00 H new ATOM 0 HA ILE A 250 12.485 -3.678 8.412 1.00 0.00 H new ATOM 0 HB ILE A 250 10.501 -5.249 9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 250 9.309 -3.767 6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 250 9.507 -5.502 6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 250 9.219 -3.275 9.885 1.00 0.00 H new ATOM 0 HG22 ILE A 250 10.970 -3.041 10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 250 10.134 -2.265 8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 250 7.191 -4.844 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 250 7.931 -5.533 8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 250 7.730 -3.772 8.691 1.00 0.00 H new