USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 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 466 GLN : amide:sc= 0.244 K(o=0.058,f=-0.63) USER MOD Set 1.2: A 468 HIS : no HD1:sc= -0.186 X(o=0.058,f=0.24) USER MOD Set 2.1: A 450 THR OG1 : rot 135:sc= 0.299 USER MOD Set 2.2: A 455 TYR OH : rot 29:sc= 0.658 USER MOD Set 3.1: A 454 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 476 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 416 THR OG1 : rot 149:sc= 0.743 USER MOD Set 4.2: A 419 TYR OH : rot 142:sc= 0.171 USER MOD Set 5.1: A 407 THR OG1 : rot 180:sc= 1.04 USER MOD Set 5.2: A 445 THR OG1 : rot -48:sc= 1.24 USER MOD Single : A 404 SER OG : rot 140:sc= -0.0416 USER MOD Single : A 405 GLN : amide:sc= -0.274 K(o=-0.27,f=-3.7) USER MOD Single : A 406 THR OG1 : rot -170:sc= -1.17 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= -0.0718 USER MOD Single : A 423 CYS SG : rot -100:sc= -7.67! USER MOD Single : A 424 HIS : no HD1:sc= -0.0814 X(o=-0.081,f=-0.017) USER MOD Single : A 428 THR OG1 : rot -119:sc= 0.036 USER MOD Single : A 434 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 441 SER OG : rot 180:sc= -0.504 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= 0 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.076 USER MOD Single : A 456 ASN : amide:sc= 0.199 K(o=0.2,f=-4.1!) USER MOD Single : A 463 LYS NZ :NH3+ -177:sc= 0.675 (180deg=0.653) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 168:sc= -0.0375 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 15.098 4.361 -1.438 1.00 0.30 N ATOM 121 CA SER A 404 14.511 4.002 -2.703 1.00 0.27 C ATOM 122 C SER A 404 13.035 4.370 -2.665 1.00 0.28 C ATOM 123 O SER A 404 12.437 4.446 -1.584 1.00 0.43 O ATOM 124 CB SER A 404 14.688 2.507 -2.948 1.00 0.28 C ATOM 125 OG SER A 404 14.090 2.101 -4.166 1.00 1.04 O ATOM 0 HA SER A 404 15.000 4.538 -3.517 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.751 2.265 -2.966 1.00 0.28 H new ATOM 0 HB3 SER A 404 14.247 1.948 -2.122 1.00 0.28 H new ATOM 0 HG SER A 404 14.669 1.450 -4.614 1.00 1.04 H new ATOM 131 N GLN A 405 12.451 4.621 -3.823 1.00 0.26 N ATOM 132 CA GLN A 405 11.051 5.001 -3.888 1.00 0.26 C ATOM 133 C GLN A 405 10.271 3.996 -4.713 1.00 0.27 C ATOM 134 O GLN A 405 10.687 3.620 -5.809 1.00 0.43 O ATOM 135 CB GLN A 405 10.852 6.400 -4.486 1.00 0.30 C ATOM 136 CG GLN A 405 12.056 7.332 -4.386 1.00 0.33 C ATOM 137 CD GLN A 405 13.092 7.121 -5.487 1.00 0.58 C ATOM 138 OE1 GLN A 405 14.027 6.336 -5.331 1.00 0.99 O ATOM 139 NE2 GLN A 405 12.944 7.821 -6.606 1.00 0.91 N ATOM 0 H GLN A 405 12.921 4.569 -4.727 1.00 0.26 H new ATOM 0 HA GLN A 405 10.682 5.016 -2.863 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.583 6.293 -5.537 1.00 0.30 H new ATOM 0 HB3 GLN A 405 10.006 6.873 -3.988 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.708 8.364 -4.420 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.535 7.189 -3.417 1.00 0.33 H new ATOM 0 HE21 GLN A 405 12.158 8.464 -6.705 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.616 7.716 -7.366 1.00 0.91 H new ATOM 148 N THR A 406 9.159 3.542 -4.175 1.00 0.18 N ATOM 149 CA THR A 406 8.258 2.694 -4.909 1.00 0.19 C ATOM 150 C THR A 406 6.952 3.407 -5.151 1.00 0.17 C ATOM 151 O THR A 406 6.092 3.500 -4.277 1.00 0.16 O ATOM 152 CB THR A 406 7.998 1.375 -4.160 1.00 0.21 C ATOM 153 OG1 THR A 406 9.227 0.666 -3.972 1.00 0.27 O ATOM 154 CG2 THR A 406 7.013 0.510 -4.911 1.00 0.29 C ATOM 0 H THR A 406 8.860 3.751 -3.223 1.00 0.18 H new ATOM 0 HA THR A 406 8.726 2.459 -5.865 1.00 0.19 H new ATOM 0 HB THR A 406 7.569 1.616 -3.187 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.037 -0.236 -3.640 1.00 0.27 H new ATOM 0 HG21 THR A 406 6.847 -0.416 -4.360 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.068 1.043 -5.017 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.412 0.278 -5.898 1.00 0.29 H new ATOM 162 N THR A 407 6.837 3.944 -6.335 1.00 0.19 N ATOM 163 CA THR A 407 5.591 4.458 -6.809 1.00 0.19 C ATOM 164 C THR A 407 4.698 3.285 -7.178 1.00 0.19 C ATOM 165 O THR A 407 5.004 2.517 -8.094 1.00 0.26 O ATOM 166 CB THR A 407 5.832 5.364 -8.014 1.00 0.24 C ATOM 167 OG1 THR A 407 6.511 6.556 -7.595 1.00 0.26 O ATOM 168 CG2 THR A 407 4.530 5.722 -8.729 1.00 0.24 C ATOM 0 H THR A 407 7.609 4.035 -6.996 1.00 0.19 H new ATOM 0 HA THR A 407 5.103 5.052 -6.036 1.00 0.19 H new ATOM 0 HB THR A 407 6.453 4.818 -8.724 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.665 7.135 -8.371 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.748 6.368 -9.580 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.045 4.811 -9.080 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.867 6.243 -8.038 1.00 0.24 H new ATOM 176 N ILE A 408 3.619 3.133 -6.444 1.00 0.21 N ATOM 177 CA ILE A 408 2.748 1.983 -6.606 1.00 0.21 C ATOM 178 C ILE A 408 1.319 2.432 -6.780 1.00 0.18 C ATOM 179 O ILE A 408 0.844 3.335 -6.091 1.00 0.16 O ATOM 180 CB ILE A 408 2.877 0.943 -5.442 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.616 0.081 -5.296 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.170 1.610 -4.109 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.885 -1.314 -4.781 1.00 0.27 C ATOM 0 H ILE A 408 3.320 3.792 -5.725 1.00 0.21 H new ATOM 0 HA ILE A 408 3.072 1.463 -7.508 1.00 0.21 H new ATOM 0 HB ILE A 408 3.717 0.304 -5.713 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.923 0.580 -4.619 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.121 0.011 -6.265 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.251 0.850 -3.332 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.108 2.161 -4.176 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.362 2.298 -3.861 1.00 0.25 H new ATOM 0 HD11 ILE A 408 0.945 -1.861 -4.705 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.553 -1.833 -5.468 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.351 -1.255 -3.797 1.00 0.27 H new ATOM 195 N SER A 409 0.670 1.827 -7.748 1.00 0.18 N ATOM 196 CA SER A 409 -0.709 2.124 -8.045 1.00 0.16 C ATOM 197 C SER A 409 -1.578 0.904 -7.791 1.00 0.13 C ATOM 198 O SER A 409 -1.104 -0.234 -7.807 1.00 0.15 O ATOM 199 CB SER A 409 -0.838 2.588 -9.494 1.00 0.21 C ATOM 200 OG SER A 409 -0.161 1.703 -10.374 1.00 0.71 O ATOM 0 H SER A 409 1.084 1.116 -8.350 1.00 0.18 H new ATOM 0 HA SER A 409 -1.050 2.926 -7.390 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.891 2.645 -9.769 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.427 3.593 -9.596 1.00 0.21 H new ATOM 0 HG SER A 409 -0.259 2.020 -11.296 1.00 0.71 H new ATOM 206 N TRP A 410 -2.840 1.154 -7.541 1.00 0.16 N ATOM 207 CA TRP A 410 -3.807 0.107 -7.286 1.00 0.17 C ATOM 208 C TRP A 410 -5.097 0.478 -7.930 1.00 0.18 C ATOM 209 O TRP A 410 -5.294 1.622 -8.349 1.00 0.19 O ATOM 210 CB TRP A 410 -4.008 -0.096 -5.786 1.00 0.16 C ATOM 211 CG TRP A 410 -4.340 1.172 -5.047 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.576 1.694 -4.746 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.383 2.090 -4.524 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.423 2.873 -4.055 1.00 0.13 N ATOM 215 CE2 TRP A 410 -4.086 3.136 -3.908 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.990 2.116 -4.516 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.437 4.202 -3.292 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.346 3.168 -3.912 1.00 0.15 C ATOM 219 CH2 TRP A 410 -2.067 4.203 -3.302 1.00 0.14 C ATOM 0 H TRP A 410 -3.231 2.096 -7.508 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.438 -0.830 -7.703 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.809 -0.819 -5.629 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.102 -0.528 -5.361 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.522 1.246 -5.012 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.183 3.458 -3.708 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.425 1.320 -4.978 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.993 5.000 -2.823 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.266 3.198 -3.907 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.534 5.016 -2.832 1.00 0.14 H new ATOM 230 N ALA A 411 -5.970 -0.483 -8.026 1.00 0.19 N ATOM 231 CA ALA A 411 -7.190 -0.263 -8.697 1.00 0.22 C ATOM 232 C ALA A 411 -8.213 0.345 -7.770 1.00 0.19 C ATOM 233 O ALA A 411 -8.441 -0.130 -6.656 1.00 0.19 O ATOM 234 CB ALA A 411 -7.684 -1.533 -9.312 1.00 0.26 C ATOM 0 H ALA A 411 -5.848 -1.421 -7.644 1.00 0.19 H new ATOM 0 HA ALA A 411 -7.020 0.452 -9.502 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.627 -1.346 -9.826 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.948 -1.902 -10.027 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.838 -2.279 -8.532 1.00 0.26 H new ATOM 240 N PRO A 412 -8.820 1.417 -8.263 1.00 0.20 N ATOM 241 CA PRO A 412 -9.739 2.257 -7.517 1.00 0.19 C ATOM 242 C PRO A 412 -10.782 1.473 -6.754 1.00 0.20 C ATOM 243 O PRO A 412 -11.589 0.745 -7.335 1.00 0.23 O ATOM 244 CB PRO A 412 -10.438 3.084 -8.582 1.00 0.24 C ATOM 245 CG PRO A 412 -9.611 2.990 -9.824 1.00 0.26 C ATOM 246 CD PRO A 412 -8.624 1.875 -9.635 1.00 0.23 C ATOM 0 HA PRO A 412 -9.196 2.838 -6.771 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.446 2.709 -8.761 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.536 4.121 -8.262 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.244 2.797 -10.690 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.093 3.931 -10.010 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.799 1.069 -10.348 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.603 2.223 -9.792 1.00 0.23 H new ATOM 254 N PHE A 413 -10.752 1.630 -5.455 1.00 0.21 N ATOM 255 CA PHE A 413 -11.762 1.066 -4.599 1.00 0.30 C ATOM 256 C PHE A 413 -12.819 2.141 -4.314 1.00 0.51 C ATOM 257 O PHE A 413 -12.672 3.283 -4.753 1.00 1.35 O ATOM 258 CB PHE A 413 -11.094 0.557 -3.315 1.00 0.30 C ATOM 259 CG PHE A 413 -11.984 -0.251 -2.417 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.355 0.236 -1.180 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.449 -1.491 -2.815 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.174 -0.501 -0.346 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.266 -2.236 -1.988 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.631 -1.740 -0.751 1.00 0.57 C ATOM 0 H PHE A 413 -10.027 2.152 -4.962 1.00 0.21 H new ATOM 0 HA PHE A 413 -12.260 0.221 -5.074 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.231 -0.050 -3.588 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.718 1.413 -2.755 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.001 1.205 -0.860 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -12.170 -1.881 -3.783 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.456 -0.109 0.620 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.619 -3.205 -2.308 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.272 -2.319 -0.103 1.00 0.57 H new ATOM 274 N GLN A 414 -13.877 1.790 -3.595 1.00 0.54 N ATOM 275 CA GLN A 414 -14.992 2.748 -3.400 1.00 0.53 C ATOM 276 C GLN A 414 -14.903 3.512 -2.141 1.00 0.44 C ATOM 277 O GLN A 414 -14.849 2.977 -1.041 1.00 0.48 O ATOM 278 CB GLN A 414 -16.389 2.131 -3.520 1.00 0.71 C ATOM 279 CG GLN A 414 -16.817 1.967 -4.959 1.00 1.28 C ATOM 280 CD GLN A 414 -17.845 0.848 -5.198 1.00 1.51 C ATOM 281 OE1 GLN A 414 -17.884 0.284 -6.292 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.661 0.478 -4.198 1.00 1.89 N ATOM 0 H GLN A 414 -14.000 0.883 -3.144 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.863 3.437 -4.235 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -16.399 1.159 -3.026 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -17.109 2.761 -2.998 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -17.238 2.910 -5.309 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -15.934 1.767 -5.566 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.615 0.957 -3.298 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.327 -0.282 -4.338 1.00 1.89 H new ATOM 291 N ASP A 415 -14.879 4.793 -2.396 1.00 0.39 N ATOM 292 CA ASP A 415 -14.994 5.839 -1.424 1.00 0.34 C ATOM 293 C ASP A 415 -14.222 5.577 -0.152 1.00 0.31 C ATOM 294 O ASP A 415 -14.739 5.758 0.951 1.00 0.35 O ATOM 295 CB ASP A 415 -16.454 6.089 -1.079 1.00 0.40 C ATOM 296 CG ASP A 415 -17.140 7.025 -2.048 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.912 6.547 -2.901 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.911 8.252 -1.955 1.00 0.59 O ATOM 0 H ASP A 415 -14.772 5.152 -3.345 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.554 6.721 -1.890 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.986 5.138 -1.064 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.518 6.506 -0.074 1.00 0.40 H new ATOM 303 N THR A 416 -12.992 5.193 -0.310 1.00 0.27 N ATOM 304 CA THR A 416 -12.141 4.900 0.811 1.00 0.23 C ATOM 305 C THR A 416 -11.799 6.188 1.553 1.00 0.24 C ATOM 306 O THR A 416 -11.693 7.251 0.947 1.00 0.25 O ATOM 307 CB THR A 416 -10.862 4.230 0.300 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.205 3.104 -0.514 1.00 0.22 O ATOM 309 CG2 THR A 416 -9.987 3.782 1.450 1.00 0.22 C ATOM 0 H THR A 416 -12.546 5.073 -1.219 1.00 0.27 H new ATOM 0 HA THR A 416 -12.654 4.229 1.500 1.00 0.23 H new ATOM 0 HB THR A 416 -10.304 4.956 -0.291 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.526 2.985 -1.210 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.086 3.310 1.059 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.711 4.646 2.055 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.533 3.067 2.066 1.00 0.22 H new ATOM 317 N SER A 417 -11.731 6.112 2.869 1.00 0.25 N ATOM 318 CA SER A 417 -11.315 7.252 3.664 1.00 0.28 C ATOM 319 C SER A 417 -9.798 7.391 3.597 1.00 0.27 C ATOM 320 O SER A 417 -9.266 8.497 3.502 1.00 0.33 O ATOM 321 CB SER A 417 -11.764 7.085 5.112 1.00 0.32 C ATOM 322 OG SER A 417 -11.628 8.295 5.835 1.00 1.14 O ATOM 0 H SER A 417 -11.957 5.276 3.408 1.00 0.25 H new ATOM 0 HA SER A 417 -11.779 8.153 3.263 1.00 0.28 H new ATOM 0 HB2 SER A 417 -12.804 6.758 5.137 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.173 6.304 5.591 1.00 0.32 H new ATOM 0 HG SER A 417 -11.924 8.159 6.759 1.00 1.14 H new ATOM 328 N GLU A 418 -9.115 6.249 3.628 1.00 0.23 N ATOM 329 CA GLU A 418 -7.653 6.207 3.604 1.00 0.25 C ATOM 330 C GLU A 418 -7.145 4.909 3.006 1.00 0.19 C ATOM 331 O GLU A 418 -7.660 3.841 3.308 1.00 0.28 O ATOM 332 CB GLU A 418 -7.079 6.332 5.015 1.00 0.36 C ATOM 333 CG GLU A 418 -7.112 7.732 5.555 1.00 0.84 C ATOM 334 CD GLU A 418 -6.596 7.840 6.976 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.424 8.229 7.160 1.00 1.31 O ATOM 336 OE2 GLU A 418 -7.350 7.519 7.912 1.00 1.37 O ATOM 0 H GLU A 418 -9.556 5.330 3.670 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.327 7.047 2.990 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.639 5.680 5.685 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -6.048 5.977 5.012 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -6.516 8.377 4.910 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -8.136 8.104 5.519 1.00 0.84 H new ATOM 343 N TYR A 419 -6.125 4.997 2.177 1.00 0.17 N ATOM 344 CA TYR A 419 -5.455 3.791 1.708 1.00 0.16 C ATOM 345 C TYR A 419 -4.156 3.645 2.458 1.00 0.19 C ATOM 346 O TYR A 419 -3.250 4.468 2.320 1.00 0.29 O ATOM 347 CB TYR A 419 -5.175 3.791 0.196 1.00 0.16 C ATOM 348 CG TYR A 419 -6.432 3.802 -0.684 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.201 2.643 -0.875 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.860 4.962 -1.330 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.336 2.657 -1.668 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.991 4.960 -2.119 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.719 3.817 -2.281 1.00 0.14 C ATOM 354 OH TYR A 419 -9.859 3.838 -3.049 1.00 0.19 O ATOM 0 H TYR A 419 -5.744 5.872 1.817 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.125 2.952 1.896 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.568 4.663 -0.048 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.582 2.911 -0.051 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.902 1.723 -0.394 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.297 5.876 -1.210 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.916 1.756 -1.801 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.303 5.869 -2.612 1.00 0.18 H new ATOM 0 HH TYR A 419 -10.325 4.690 -2.920 1.00 0.19 H new ATOM 364 N ILE A 420 -4.084 2.618 3.273 1.00 0.18 N ATOM 365 CA ILE A 420 -2.909 2.379 4.068 1.00 0.18 C ATOM 366 C ILE A 420 -2.035 1.357 3.396 1.00 0.17 C ATOM 367 O ILE A 420 -2.451 0.225 3.146 1.00 0.21 O ATOM 368 CB ILE A 420 -3.266 1.913 5.482 1.00 0.22 C ATOM 369 CG1 ILE A 420 -4.050 3.023 6.165 1.00 0.32 C ATOM 370 CG2 ILE A 420 -2.000 1.573 6.274 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.852 2.577 7.348 1.00 0.32 C ATOM 0 H ILE A 420 -4.830 1.934 3.401 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.369 3.322 4.156 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.872 1.008 5.435 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.354 3.799 6.485 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.722 3.478 5.437 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.275 1.244 7.276 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.457 0.776 5.767 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.366 2.457 6.344 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.379 3.431 7.774 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.575 1.824 7.034 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.187 2.150 8.099 1.00 0.32 H new ATOM 383 N ILE A 421 -0.832 1.764 3.096 1.00 0.15 N ATOM 384 CA ILE A 421 0.094 0.901 2.412 1.00 0.18 C ATOM 385 C ILE A 421 1.101 0.376 3.404 1.00 0.19 C ATOM 386 O ILE A 421 1.951 1.111 3.903 1.00 0.30 O ATOM 387 CB ILE A 421 0.798 1.618 1.247 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.241 2.105 0.235 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.769 0.658 0.580 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.226 3.256 -0.618 1.00 0.32 C ATOM 0 H ILE A 421 -0.468 2.691 3.315 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.463 0.071 1.977 1.00 0.18 H new ATOM 0 HB ILE A 421 1.348 2.479 1.626 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.518 1.274 -0.414 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.142 2.405 0.770 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.270 1.163 -0.246 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.511 0.328 1.307 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.223 -0.206 0.200 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.567 3.542 -1.309 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.475 4.104 0.020 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.108 2.956 -1.183 1.00 0.32 H new ATOM 402 N SER A 422 0.957 -0.893 3.694 1.00 0.14 N ATOM 403 CA SER A 422 1.764 -1.568 4.696 1.00 0.14 C ATOM 404 C SER A 422 2.836 -2.403 4.027 1.00 0.16 C ATOM 405 O SER A 422 2.575 -3.471 3.476 1.00 0.36 O ATOM 406 CB SER A 422 0.910 -2.469 5.580 1.00 0.18 C ATOM 407 OG SER A 422 -0.088 -1.737 6.272 1.00 0.88 O ATOM 0 H SER A 422 0.272 -1.497 3.241 1.00 0.14 H new ATOM 0 HA SER A 422 2.225 -0.802 5.319 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.438 -3.237 4.967 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.548 -2.983 6.299 1.00 0.18 H new ATOM 0 HG SER A 422 -0.616 -2.348 6.827 1.00 0.88 H new ATOM 413 N CYS A 423 4.027 -1.896 4.087 1.00 0.14 N ATOM 414 CA CYS A 423 5.179 -2.536 3.482 1.00 0.12 C ATOM 415 C CYS A 423 5.878 -3.436 4.488 1.00 0.12 C ATOM 416 O CYS A 423 6.626 -2.957 5.336 1.00 0.13 O ATOM 417 CB CYS A 423 6.155 -1.488 2.960 1.00 0.14 C ATOM 418 SG CYS A 423 7.149 -2.065 1.579 1.00 0.95 S ATOM 0 H CYS A 423 4.241 -1.018 4.559 1.00 0.14 H new ATOM 0 HA CYS A 423 4.832 -3.145 2.647 1.00 0.12 H new ATOM 0 HB2 CYS A 423 5.597 -0.604 2.652 1.00 0.14 H new ATOM 0 HB3 CYS A 423 6.816 -1.182 3.771 1.00 0.14 H new ATOM 0 HG CYS A 423 8.324 -2.419 2.008 1.00 0.95 H new ATOM 424 N HIS A 424 5.627 -4.734 4.394 1.00 0.13 N ATOM 425 CA HIS A 424 6.203 -5.699 5.328 1.00 0.15 C ATOM 426 C HIS A 424 7.536 -6.223 4.813 1.00 0.15 C ATOM 427 O HIS A 424 7.591 -6.976 3.843 1.00 0.16 O ATOM 428 CB HIS A 424 5.258 -6.874 5.564 1.00 0.18 C ATOM 429 CG HIS A 424 4.054 -6.551 6.400 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.953 -6.877 7.737 1.00 0.24 N ATOM 431 CD2 HIS A 424 2.887 -5.941 6.078 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.781 -6.484 8.198 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.118 -5.914 7.213 1.00 0.25 N ATOM 0 H HIS A 424 5.027 -5.147 3.680 1.00 0.13 H new ATOM 0 HA HIS A 424 6.361 -5.178 6.272 1.00 0.15 H new ATOM 0 HB2 HIS A 424 4.922 -7.253 4.599 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.813 -7.678 6.046 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.614 -5.550 5.109 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.426 -6.608 9.210 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.182 -5.516 7.283 1.00 0.25 H new ATOM 442 N PRO A 425 8.617 -5.824 5.470 1.00 0.17 N ATOM 443 CA PRO A 425 9.967 -6.252 5.129 1.00 0.17 C ATOM 444 C PRO A 425 10.239 -7.684 5.524 1.00 0.18 C ATOM 445 O PRO A 425 9.927 -8.130 6.631 1.00 0.24 O ATOM 446 CB PRO A 425 10.885 -5.307 5.907 1.00 0.21 C ATOM 447 CG PRO A 425 9.993 -4.394 6.690 1.00 0.32 C ATOM 448 CD PRO A 425 8.594 -4.922 6.610 1.00 0.22 C ATOM 0 HA PRO A 425 10.124 -6.213 4.051 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.545 -5.866 6.570 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.521 -4.739 5.228 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.320 -4.342 7.728 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.040 -3.381 6.289 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.312 -5.444 7.525 1.00 0.22 H new ATOM 0 HD3 PRO A 425 7.872 -4.118 6.467 1.00 0.22 H new ATOM 456 N VAL A 426 10.830 -8.381 4.591 1.00 0.15 N ATOM 457 CA VAL A 426 11.197 -9.764 4.746 1.00 0.19 C ATOM 458 C VAL A 426 12.715 -9.860 4.893 1.00 0.20 C ATOM 459 O VAL A 426 13.452 -9.136 4.222 1.00 0.20 O ATOM 460 CB VAL A 426 10.775 -10.553 3.504 1.00 0.20 C ATOM 461 CG1 VAL A 426 10.944 -12.052 3.692 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.360 -10.214 3.072 1.00 0.21 C ATOM 0 H VAL A 426 11.076 -7.994 3.680 1.00 0.15 H new ATOM 0 HA VAL A 426 10.702 -10.173 5.627 1.00 0.19 H new ATOM 0 HB VAL A 426 11.447 -10.248 2.702 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.632 -12.570 2.785 1.00 0.27 H new ATOM 0 HG12 VAL A 426 11.991 -12.277 3.897 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.331 -12.385 4.529 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.100 -10.796 2.187 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.667 -10.451 3.879 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.295 -9.151 2.839 1.00 0.21 H new ATOM 472 N GLY A 427 13.176 -10.722 5.776 1.00 0.26 N ATOM 473 CA GLY A 427 14.609 -10.901 5.958 1.00 0.29 C ATOM 474 C GLY A 427 15.128 -10.101 7.129 1.00 0.32 C ATOM 475 O GLY A 427 15.977 -10.565 7.889 1.00 0.38 O ATOM 0 H GLY A 427 12.591 -11.305 6.374 1.00 0.26 H new ATOM 0 HA2 GLY A 427 14.827 -11.958 6.114 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.132 -10.599 5.051 1.00 0.29 H new ATOM 479 N THR A 428 14.617 -8.889 7.268 1.00 0.31 N ATOM 480 CA THR A 428 14.983 -8.023 8.370 1.00 0.37 C ATOM 481 C THR A 428 13.957 -8.070 9.479 1.00 0.41 C ATOM 482 O THR A 428 12.901 -8.689 9.350 1.00 0.41 O ATOM 483 CB THR A 428 15.086 -6.566 7.932 1.00 0.37 C ATOM 484 OG1 THR A 428 14.075 -6.272 6.956 1.00 0.30 O ATOM 485 CG2 THR A 428 16.461 -6.246 7.374 1.00 0.42 C ATOM 0 H THR A 428 13.940 -8.482 6.622 1.00 0.31 H new ATOM 0 HA THR A 428 15.948 -8.388 8.721 1.00 0.37 H new ATOM 0 HB THR A 428 14.931 -5.941 8.812 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.500 -5.995 6.118 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.497 -5.199 7.072 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.216 -6.429 8.139 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.659 -6.880 6.510 1.00 0.42 H new ATOM 493 N ASP A 429 14.277 -7.386 10.565 1.00 0.48 N ATOM 494 CA ASP A 429 13.330 -7.189 11.641 1.00 0.54 C ATOM 495 C ASP A 429 12.649 -5.835 11.495 1.00 0.49 C ATOM 496 O ASP A 429 12.065 -5.305 12.440 1.00 0.59 O ATOM 497 CB ASP A 429 14.028 -7.279 12.992 1.00 0.69 C ATOM 498 CG ASP A 429 13.059 -7.436 14.149 1.00 1.09 C ATOM 499 OD1 ASP A 429 12.276 -8.409 14.148 1.00 1.06 O ATOM 500 OD2 ASP A 429 13.087 -6.595 15.074 1.00 1.78 O ATOM 0 H ASP A 429 15.190 -6.958 10.722 1.00 0.48 H new ATOM 0 HA ASP A 429 12.577 -7.975 11.587 1.00 0.54 H new ATOM 0 HB2 ASP A 429 14.716 -8.124 12.984 1.00 0.69 H new ATOM 0 HB3 ASP A 429 14.627 -6.382 13.146 1.00 0.69 H new ATOM 505 N GLU A 430 12.730 -5.276 10.299 1.00 0.40 N ATOM 506 CA GLU A 430 12.127 -3.989 10.020 1.00 0.38 C ATOM 507 C GLU A 430 10.627 -4.064 10.129 1.00 0.31 C ATOM 508 O GLU A 430 10.011 -5.102 9.868 1.00 0.33 O ATOM 509 CB GLU A 430 12.517 -3.496 8.626 1.00 0.38 C ATOM 510 CG GLU A 430 13.971 -3.085 8.468 1.00 0.48 C ATOM 511 CD GLU A 430 14.297 -2.719 7.037 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.596 -3.630 6.235 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.272 -1.514 6.714 1.00 1.64 O ATOM 0 H GLU A 430 13.210 -5.698 9.504 1.00 0.40 H new ATOM 0 HA GLU A 430 12.500 -3.282 10.762 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.299 -4.284 7.905 1.00 0.38 H new ATOM 0 HB3 GLU A 430 11.886 -2.645 8.369 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.182 -2.236 9.118 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.617 -3.901 8.791 1.00 0.48 H new ATOM 520 N GLU A 431 10.052 -2.954 10.534 1.00 0.29 N ATOM 521 CA GLU A 431 8.645 -2.858 10.711 1.00 0.26 C ATOM 522 C GLU A 431 7.995 -2.487 9.386 1.00 0.24 C ATOM 523 O GLU A 431 8.641 -1.930 8.493 1.00 0.26 O ATOM 524 CB GLU A 431 8.329 -1.815 11.784 1.00 0.29 C ATOM 525 CG GLU A 431 8.258 -0.410 11.234 1.00 0.63 C ATOM 526 CD GLU A 431 7.960 0.625 12.295 1.00 0.87 C ATOM 527 OE1 GLU A 431 8.913 1.125 12.930 1.00 1.11 O ATOM 528 OE2 GLU A 431 6.771 0.938 12.506 1.00 1.05 O ATOM 0 H GLU A 431 10.561 -2.096 10.747 1.00 0.29 H new ATOM 0 HA GLU A 431 8.247 -3.818 11.039 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.379 -2.063 12.257 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.092 -1.858 12.561 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.205 -0.166 10.752 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.488 -0.365 10.464 1.00 0.63 H new ATOM 535 N PRO A 432 6.721 -2.818 9.246 1.00 0.23 N ATOM 536 CA PRO A 432 5.941 -2.462 8.078 1.00 0.21 C ATOM 537 C PRO A 432 5.744 -0.967 8.000 1.00 0.20 C ATOM 538 O PRO A 432 5.149 -0.356 8.891 1.00 0.24 O ATOM 539 CB PRO A 432 4.598 -3.176 8.269 1.00 0.24 C ATOM 540 CG PRO A 432 4.565 -3.630 9.696 1.00 0.23 C ATOM 541 CD PRO A 432 5.962 -3.551 10.246 1.00 0.24 C ATOM 0 HA PRO A 432 6.434 -2.756 7.152 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.766 -2.505 8.055 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.507 -4.023 7.589 1.00 0.24 H new ATOM 0 HG2 PRO A 432 3.891 -3.003 10.279 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.188 -4.650 9.762 1.00 0.23 H new ATOM 0 HD2 PRO A 432 5.979 -3.038 11.208 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.379 -4.545 10.407 1.00 0.24 H new ATOM 549 N LEU A 433 6.254 -0.390 6.934 1.00 0.20 N ATOM 550 CA LEU A 433 6.090 1.019 6.692 1.00 0.20 C ATOM 551 C LEU A 433 4.647 1.241 6.332 1.00 0.20 C ATOM 552 O LEU A 433 4.119 0.564 5.452 1.00 0.30 O ATOM 553 CB LEU A 433 6.977 1.485 5.544 1.00 0.22 C ATOM 554 CG LEU A 433 8.443 1.756 5.904 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.198 0.472 6.188 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.128 2.552 4.805 1.00 0.73 C ATOM 0 H LEU A 433 6.789 -0.883 6.219 1.00 0.20 H new ATOM 0 HA LEU A 433 6.374 1.585 7.579 1.00 0.20 H new ATOM 0 HB2 LEU A 433 6.949 0.730 4.758 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.550 2.397 5.126 1.00 0.22 H new ATOM 0 HG LEU A 433 8.452 2.349 6.818 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.233 0.706 6.439 1.00 0.65 H new ATOM 0 HD12 LEU A 433 8.730 -0.048 7.024 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.175 -0.167 5.305 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.167 2.733 5.081 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.093 1.989 3.872 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.616 3.505 4.673 1.00 0.73 H new ATOM 568 N GLN A 434 4.011 2.150 7.015 1.00 0.17 N ATOM 569 CA GLN A 434 2.600 2.360 6.822 1.00 0.17 C ATOM 570 C GLN A 434 2.321 3.761 6.358 1.00 0.20 C ATOM 571 O GLN A 434 2.437 4.736 7.104 1.00 0.27 O ATOM 572 CB GLN A 434 1.822 2.005 8.078 1.00 0.18 C ATOM 573 CG GLN A 434 1.494 0.527 8.132 1.00 0.21 C ATOM 574 CD GLN A 434 1.093 0.035 9.510 1.00 0.38 C ATOM 575 OE1 GLN A 434 1.313 -1.129 9.847 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.509 0.903 10.325 1.00 0.74 N ATOM 0 H GLN A 434 4.444 2.758 7.710 1.00 0.17 H new ATOM 0 HA GLN A 434 2.258 1.690 6.033 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.404 2.281 8.957 1.00 0.18 H new ATOM 0 HB3 GLN A 434 0.899 2.584 8.111 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.684 0.319 7.433 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.361 -0.040 7.793 1.00 0.21 H new ATOM 0 HE21 GLN A 434 0.341 1.860 10.015 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.228 0.613 11.262 1.00 0.74 H new ATOM 585 N PHE A 435 1.947 3.831 5.107 1.00 0.20 N ATOM 586 CA PHE A 435 1.689 5.100 4.444 1.00 0.23 C ATOM 587 C PHE A 435 0.200 5.309 4.248 1.00 0.21 C ATOM 588 O PHE A 435 -0.508 4.418 3.785 1.00 0.24 O ATOM 589 CB PHE A 435 2.408 5.173 3.091 1.00 0.25 C ATOM 590 CG PHE A 435 3.906 5.247 3.194 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.679 4.105 3.064 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.540 6.459 3.410 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.057 4.170 3.151 1.00 0.43 C ATOM 594 CE2 PHE A 435 5.917 6.530 3.500 1.00 0.46 C ATOM 595 CZ PHE A 435 6.677 5.384 3.370 1.00 0.47 C ATOM 0 H PHE A 435 1.810 3.014 4.512 1.00 0.20 H new ATOM 0 HA PHE A 435 2.076 5.892 5.085 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.138 4.297 2.501 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.048 6.047 2.548 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.199 3.153 2.893 1.00 0.36 H new ATOM 0 HD2 PHE A 435 3.951 7.359 3.509 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.648 3.272 3.048 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.399 7.481 3.672 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.753 5.437 3.439 1.00 0.47 H new ATOM 605 N ARG A 436 -0.262 6.488 4.625 1.00 0.22 N ATOM 606 CA ARG A 436 -1.665 6.848 4.503 1.00 0.21 C ATOM 607 C ARG A 436 -1.856 7.836 3.360 1.00 0.19 C ATOM 608 O ARG A 436 -1.345 8.954 3.414 1.00 0.27 O ATOM 609 CB ARG A 436 -2.171 7.496 5.790 1.00 0.27 C ATOM 610 CG ARG A 436 -2.213 6.562 6.979 1.00 0.72 C ATOM 611 CD ARG A 436 -2.795 7.250 8.199 1.00 0.74 C ATOM 612 NE ARG A 436 -2.040 8.447 8.574 1.00 1.52 N ATOM 613 CZ ARG A 436 -2.601 9.597 8.944 1.00 2.15 C ATOM 614 NH1 ARG A 436 -3.923 9.741 8.902 1.00 2.32 N ATOM 615 NH2 ARG A 436 -1.841 10.616 9.325 1.00 3.14 N ATOM 0 H ARG A 436 0.323 7.222 5.024 1.00 0.22 H new ATOM 0 HA ARG A 436 -2.227 5.935 4.308 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.532 8.345 6.032 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -3.172 7.890 5.616 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -2.811 5.684 6.734 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.206 6.209 7.203 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -3.831 7.524 7.999 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -2.806 6.552 9.036 1.00 0.74 H new ATOM 0 HE ARG A 436 -1.021 8.397 8.550 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -4.510 8.969 8.586 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -4.349 10.623 9.186 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -0.826 10.519 9.335 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -2.272 11.496 9.608 1.00 3.14 H new ATOM 629 N VAL A 437 -2.572 7.433 2.327 1.00 0.17 N ATOM 630 CA VAL A 437 -2.904 8.339 1.247 1.00 0.16 C ATOM 631 C VAL A 437 -4.404 8.508 1.152 1.00 0.16 C ATOM 632 O VAL A 437 -5.173 7.662 1.619 1.00 0.17 O ATOM 633 CB VAL A 437 -2.331 7.889 -0.118 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.825 7.724 -0.033 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.993 6.612 -0.610 1.00 0.14 C ATOM 0 H VAL A 437 -2.934 6.486 2.214 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.438 9.295 1.484 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.552 8.669 -0.847 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.438 7.407 -1.002 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.370 8.674 0.246 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.583 6.972 0.718 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.565 6.327 -1.571 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.826 5.814 0.113 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -4.064 6.778 -0.725 1.00 0.14 H new ATOM 645 N PRO A 438 -4.808 9.639 0.587 1.00 0.17 N ATOM 646 CA PRO A 438 -6.212 10.028 0.441 1.00 0.18 C ATOM 647 C PRO A 438 -7.059 8.900 -0.154 1.00 0.16 C ATOM 648 O PRO A 438 -6.622 8.192 -1.061 1.00 0.14 O ATOM 649 CB PRO A 438 -6.112 11.233 -0.521 1.00 0.19 C ATOM 650 CG PRO A 438 -4.783 11.819 -0.193 1.00 0.21 C ATOM 651 CD PRO A 438 -3.892 10.655 0.061 1.00 0.19 C ATOM 0 HA PRO A 438 -6.700 10.259 1.388 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -6.169 10.922 -1.564 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.919 11.947 -0.357 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.408 12.429 -1.015 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.844 12.466 0.682 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.399 10.319 -0.851 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -3.107 10.898 0.777 1.00 0.19 H new ATOM 659 N GLY A 439 -8.275 8.755 0.357 1.00 0.19 N ATOM 660 CA GLY A 439 -9.113 7.623 0.032 1.00 0.20 C ATOM 661 C GLY A 439 -9.625 7.599 -1.392 1.00 0.18 C ATOM 662 O GLY A 439 -10.277 6.639 -1.797 1.00 0.20 O ATOM 0 H GLY A 439 -8.700 9.419 1.004 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.550 6.708 0.216 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.966 7.614 0.710 1.00 0.20 H new ATOM 666 N THR A 440 -9.396 8.655 -2.144 1.00 0.16 N ATOM 667 CA THR A 440 -9.791 8.652 -3.535 1.00 0.18 C ATOM 668 C THR A 440 -8.576 8.396 -4.453 1.00 0.16 C ATOM 669 O THR A 440 -8.735 8.017 -5.616 1.00 0.19 O ATOM 670 CB THR A 440 -10.448 9.989 -3.913 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.626 11.078 -3.469 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.832 10.106 -3.294 1.00 0.29 C ATOM 0 H THR A 440 -8.946 9.512 -1.822 1.00 0.16 H new ATOM 0 HA THR A 440 -10.512 7.847 -3.674 1.00 0.18 H new ATOM 0 HB THR A 440 -10.550 10.027 -4.998 1.00 0.24 H new ATOM 0 HG1 THR A 440 -10.048 11.928 -3.714 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.277 11.060 -3.576 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.461 9.292 -3.654 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.751 10.050 -2.208 1.00 0.29 H new ATOM 680 N SER A 441 -7.368 8.623 -3.919 1.00 0.13 N ATOM 681 CA SER A 441 -6.116 8.393 -4.637 1.00 0.12 C ATOM 682 C SER A 441 -5.922 6.924 -5.008 1.00 0.11 C ATOM 683 O SER A 441 -6.365 6.028 -4.294 1.00 0.12 O ATOM 684 CB SER A 441 -4.954 8.851 -3.759 1.00 0.13 C ATOM 685 OG SER A 441 -5.036 10.241 -3.489 1.00 0.16 O ATOM 0 H SER A 441 -7.236 8.974 -2.970 1.00 0.13 H new ATOM 0 HA SER A 441 -6.151 8.962 -5.566 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.961 8.294 -2.822 1.00 0.13 H new ATOM 0 HB3 SER A 441 -4.009 8.629 -4.255 1.00 0.13 H new ATOM 0 HG SER A 441 -4.282 10.509 -2.924 1.00 0.16 H new ATOM 691 N THR A 442 -5.252 6.680 -6.126 1.00 0.10 N ATOM 692 CA THR A 442 -5.022 5.322 -6.587 1.00 0.12 C ATOM 693 C THR A 442 -3.538 5.050 -6.846 1.00 0.13 C ATOM 694 O THR A 442 -3.183 4.043 -7.459 1.00 0.16 O ATOM 695 CB THR A 442 -5.853 5.019 -7.849 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.733 6.101 -8.785 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.318 4.811 -7.481 1.00 0.17 C ATOM 0 H THR A 442 -4.860 7.404 -6.728 1.00 0.10 H new ATOM 0 HA THR A 442 -5.346 4.654 -5.788 1.00 0.12 H new ATOM 0 HB THR A 442 -5.474 4.106 -8.307 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.262 5.901 -9.585 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.893 4.598 -8.382 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.404 3.973 -6.789 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.706 5.713 -7.008 1.00 0.17 H new ATOM 705 N SER A 443 -2.673 5.937 -6.361 1.00 0.12 N ATOM 706 CA SER A 443 -1.232 5.765 -6.530 1.00 0.15 C ATOM 707 C SER A 443 -0.456 6.562 -5.485 1.00 0.15 C ATOM 708 O SER A 443 -0.921 7.597 -5.008 1.00 0.19 O ATOM 709 CB SER A 443 -0.797 6.175 -7.944 1.00 0.17 C ATOM 710 OG SER A 443 -1.270 7.471 -8.274 1.00 1.08 O ATOM 0 H SER A 443 -2.942 6.778 -5.850 1.00 0.12 H new ATOM 0 HA SER A 443 -1.005 4.708 -6.389 1.00 0.15 H new ATOM 0 HB2 SER A 443 0.291 6.154 -8.012 1.00 0.17 H new ATOM 0 HB3 SER A 443 -1.176 5.452 -8.667 1.00 0.17 H new ATOM 0 HG SER A 443 -0.976 7.706 -9.179 1.00 1.08 H new ATOM 716 N ALA A 444 0.714 6.053 -5.123 1.00 0.14 N ATOM 717 CA ALA A 444 1.579 6.705 -4.145 1.00 0.15 C ATOM 718 C ALA A 444 3.015 6.331 -4.337 1.00 0.16 C ATOM 719 O ALA A 444 3.356 5.189 -4.639 1.00 0.15 O ATOM 720 CB ALA A 444 1.149 6.365 -2.732 1.00 0.16 C ATOM 0 H ALA A 444 1.090 5.181 -5.496 1.00 0.14 H new ATOM 0 HA ALA A 444 1.482 7.779 -4.301 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.809 6.863 -2.021 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.124 6.701 -2.573 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.204 5.286 -2.584 1.00 0.16 H new ATOM 726 N THR A 445 3.842 7.332 -4.179 1.00 0.24 N ATOM 727 CA THR A 445 5.261 7.163 -4.197 1.00 0.25 C ATOM 728 C THR A 445 5.771 6.898 -2.802 1.00 0.26 C ATOM 729 O THR A 445 5.722 7.756 -1.919 1.00 0.33 O ATOM 730 CB THR A 445 5.924 8.404 -4.770 1.00 0.31 C ATOM 731 OG1 THR A 445 5.534 8.573 -6.142 1.00 0.34 O ATOM 732 CG2 THR A 445 7.447 8.317 -4.653 1.00 0.34 C ATOM 0 H THR A 445 3.540 8.295 -4.033 1.00 0.24 H new ATOM 0 HA THR A 445 5.507 6.308 -4.827 1.00 0.25 H new ATOM 0 HB THR A 445 5.595 9.270 -4.196 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.633 7.722 -6.617 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.896 9.218 -5.071 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.727 8.225 -3.603 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.805 7.446 -5.201 1.00 0.34 H new ATOM 740 N LEU A 446 6.235 5.693 -2.620 1.00 0.22 N ATOM 741 CA LEU A 446 6.706 5.245 -1.326 1.00 0.25 C ATOM 742 C LEU A 446 8.196 5.492 -1.149 1.00 0.24 C ATOM 743 O LEU A 446 9.031 4.728 -1.632 1.00 0.23 O ATOM 744 CB LEU A 446 6.359 3.752 -1.120 1.00 0.25 C ATOM 745 CG LEU A 446 5.020 3.461 -0.401 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.885 4.268 -1.011 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.695 1.975 -0.479 1.00 0.59 C ATOM 0 H LEU A 446 6.300 4.991 -3.357 1.00 0.22 H new ATOM 0 HA LEU A 446 6.195 5.831 -0.562 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.338 3.266 -2.095 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.163 3.288 -0.550 1.00 0.25 H new ATOM 0 HG LEU A 446 5.128 3.753 0.643 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.956 4.044 -0.486 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.105 5.332 -0.920 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.779 4.008 -2.064 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.751 1.782 0.030 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.612 1.675 -1.524 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.489 1.403 0.001 1.00 0.59 H new ATOM 759 N THR A 447 8.511 6.571 -0.448 1.00 0.30 N ATOM 760 CA THR A 447 9.888 6.927 -0.146 1.00 0.30 C ATOM 761 C THR A 447 10.333 6.347 1.196 1.00 0.29 C ATOM 762 O THR A 447 9.708 6.591 2.227 1.00 0.36 O ATOM 763 CB THR A 447 10.074 8.455 -0.098 1.00 0.39 C ATOM 764 OG1 THR A 447 8.815 9.102 0.137 1.00 0.86 O ATOM 765 CG2 THR A 447 10.695 8.989 -1.370 1.00 0.60 C ATOM 0 H THR A 447 7.821 7.222 -0.074 1.00 0.30 H new ATOM 0 HA THR A 447 10.498 6.508 -0.946 1.00 0.30 H new ATOM 0 HB THR A 447 10.756 8.674 0.724 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.947 10.073 0.167 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.808 10.070 -1.293 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.673 8.531 -1.517 1.00 0.60 H new ATOM 0 HG23 THR A 447 10.052 8.751 -2.217 1.00 0.60 H new ATOM 773 N GLY A 448 11.410 5.581 1.169 1.00 0.30 N ATOM 774 CA GLY A 448 12.024 5.108 2.407 1.00 0.38 C ATOM 775 C GLY A 448 12.339 3.623 2.436 1.00 0.30 C ATOM 776 O GLY A 448 13.007 3.158 3.360 1.00 0.38 O ATOM 0 H GLY A 448 11.877 5.274 0.316 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.947 5.664 2.574 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.358 5.340 3.238 1.00 0.38 H new ATOM 780 N LEU A 449 11.859 2.868 1.454 1.00 0.28 N ATOM 781 CA LEU A 449 12.168 1.451 1.370 1.00 0.25 C ATOM 782 C LEU A 449 13.666 1.219 1.208 1.00 0.25 C ATOM 783 O LEU A 449 14.315 1.803 0.334 1.00 0.34 O ATOM 784 CB LEU A 449 11.396 0.812 0.219 1.00 0.24 C ATOM 785 CG LEU A 449 9.876 0.939 0.318 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.208 0.326 -0.898 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.374 0.272 1.582 1.00 0.23 C ATOM 0 H LEU A 449 11.256 3.215 0.708 1.00 0.28 H new ATOM 0 HA LEU A 449 11.861 0.980 2.304 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.724 1.266 -0.716 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.656 -0.245 0.169 1.00 0.24 H new ATOM 0 HG LEU A 449 9.622 1.998 0.355 1.00 0.21 H new ATOM 0 HD11 LEU A 449 8.126 0.427 -0.808 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.547 0.840 -1.797 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.470 -0.730 -0.963 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.290 0.370 1.639 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.642 -0.784 1.567 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.828 0.750 2.450 1.00 0.23 H new ATOM 799 N THR A 450 14.203 0.377 2.076 1.00 0.22 N ATOM 800 CA THR A 450 15.613 0.038 2.065 1.00 0.23 C ATOM 801 C THR A 450 15.934 -0.897 0.922 1.00 0.22 C ATOM 802 O THR A 450 15.525 -2.057 0.883 1.00 0.38 O ATOM 803 CB THR A 450 16.022 -0.611 3.400 1.00 0.27 C ATOM 804 OG1 THR A 450 15.554 0.191 4.497 1.00 0.32 O ATOM 805 CG2 THR A 450 17.528 -0.777 3.497 1.00 0.34 C ATOM 0 H THR A 450 13.670 -0.091 2.809 1.00 0.22 H new ATOM 0 HA THR A 450 16.178 0.960 1.930 1.00 0.23 H new ATOM 0 HB THR A 450 15.566 -1.600 3.445 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.153 -0.388 5.178 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.783 -1.238 4.451 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.877 -1.412 2.683 1.00 0.34 H new ATOM 0 HG23 THR A 450 18.007 0.200 3.427 1.00 0.34 H new ATOM 813 N ARG A 451 16.648 -0.336 -0.017 1.00 0.29 N ATOM 814 CA ARG A 451 17.137 -1.054 -1.167 1.00 0.26 C ATOM 815 C ARG A 451 17.962 -2.263 -0.779 1.00 0.26 C ATOM 816 O ARG A 451 18.885 -2.197 0.034 1.00 0.30 O ATOM 817 CB ARG A 451 17.915 -0.106 -2.058 1.00 0.31 C ATOM 818 CG ARG A 451 19.092 0.510 -1.354 1.00 0.32 C ATOM 819 CD ARG A 451 19.609 1.729 -2.084 1.00 0.43 C ATOM 820 NE ARG A 451 20.114 1.412 -3.421 1.00 1.32 N ATOM 821 CZ ARG A 451 20.895 2.222 -4.138 1.00 1.75 C ATOM 822 NH1 ARG A 451 21.270 3.400 -3.648 1.00 1.39 N ATOM 823 NH2 ARG A 451 21.300 1.853 -5.347 1.00 2.70 N ATOM 0 H ARG A 451 16.911 0.649 -0.005 1.00 0.29 H new ATOM 0 HA ARG A 451 16.282 -1.441 -1.722 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.264 -0.645 -2.939 1.00 0.31 H new ATOM 0 HB3 ARG A 451 17.252 0.684 -2.409 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.804 0.789 -0.340 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.890 -0.227 -1.267 1.00 0.32 H new ATOM 0 HD2 ARG A 451 18.809 2.465 -2.167 1.00 0.43 H new ATOM 0 HD3 ARG A 451 20.405 2.188 -1.498 1.00 0.43 H new ATOM 0 HE ARG A 451 19.852 0.515 -3.830 1.00 1.32 H new ATOM 0 HH11 ARG A 451 20.961 3.688 -2.720 1.00 1.39 H new ATOM 0 HH12 ARG A 451 21.867 4.015 -4.200 1.00 1.39 H new ATOM 0 HH21 ARG A 451 21.014 0.951 -5.727 1.00 2.70 H new ATOM 0 HH22 ARG A 451 21.897 2.472 -5.896 1.00 2.70 H new ATOM 837 N GLY A 452 17.588 -3.372 -1.380 1.00 0.28 N ATOM 838 CA GLY A 452 18.217 -4.631 -1.117 1.00 0.34 C ATOM 839 C GLY A 452 17.397 -5.491 -0.182 1.00 0.32 C ATOM 840 O GLY A 452 17.764 -6.625 0.124 1.00 0.41 O ATOM 0 H GLY A 452 16.835 -3.417 -2.066 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.371 -5.162 -2.056 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.202 -4.460 -0.682 1.00 0.34 H new ATOM 844 N ALA A 453 16.285 -4.944 0.274 1.00 0.32 N ATOM 845 CA ALA A 453 15.379 -5.660 1.153 1.00 0.31 C ATOM 846 C ALA A 453 14.095 -5.996 0.445 1.00 0.27 C ATOM 847 O ALA A 453 13.591 -5.250 -0.397 1.00 0.35 O ATOM 848 CB ALA A 453 15.105 -4.847 2.409 1.00 0.32 C ATOM 0 H ALA A 453 15.986 -3.996 0.047 1.00 0.32 H new ATOM 0 HA ALA A 453 15.855 -6.596 1.445 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.424 -5.398 3.058 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.041 -4.666 2.937 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.653 -3.894 2.134 1.00 0.32 H new ATOM 854 N THR A 454 13.623 -7.165 0.780 1.00 0.23 N ATOM 855 CA THR A 454 12.382 -7.693 0.301 1.00 0.21 C ATOM 856 C THR A 454 11.214 -7.049 1.054 1.00 0.17 C ATOM 857 O THR A 454 11.136 -7.147 2.276 1.00 0.19 O ATOM 858 CB THR A 454 12.406 -9.198 0.560 1.00 0.22 C ATOM 859 OG1 THR A 454 13.455 -9.819 -0.180 1.00 0.29 O ATOM 860 CG2 THR A 454 11.087 -9.855 0.194 1.00 0.24 C ATOM 0 H THR A 454 14.111 -7.795 1.416 1.00 0.23 H new ATOM 0 HA THR A 454 12.254 -7.484 -0.761 1.00 0.21 H new ATOM 0 HB THR A 454 12.577 -9.333 1.628 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.456 -10.782 -0.000 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.146 -10.925 0.393 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.285 -9.419 0.790 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.881 -9.694 -0.864 1.00 0.24 H new ATOM 868 N TYR A 455 10.328 -6.380 0.338 1.00 0.16 N ATOM 869 CA TYR A 455 9.197 -5.707 0.967 1.00 0.16 C ATOM 870 C TYR A 455 7.868 -6.197 0.406 1.00 0.13 C ATOM 871 O TYR A 455 7.580 -6.009 -0.774 1.00 0.15 O ATOM 872 CB TYR A 455 9.293 -4.197 0.764 1.00 0.23 C ATOM 873 CG TYR A 455 10.321 -3.507 1.632 1.00 0.22 C ATOM 874 CD1 TYR A 455 10.027 -3.151 2.944 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.575 -3.190 1.135 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.958 -2.500 3.732 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.511 -2.545 1.916 1.00 0.30 C ATOM 878 CZ TYR A 455 12.198 -2.200 3.213 1.00 0.26 C ATOM 879 OH TYR A 455 13.125 -1.543 3.989 1.00 0.29 O ATOM 0 H TYR A 455 10.366 -6.286 -0.677 1.00 0.16 H new ATOM 0 HA TYR A 455 9.236 -5.942 2.031 1.00 0.16 H new ATOM 0 HB2 TYR A 455 9.528 -3.999 -0.282 1.00 0.23 H new ATOM 0 HB3 TYR A 455 8.316 -3.755 0.960 1.00 0.23 H new ATOM 0 HD1 TYR A 455 9.056 -3.387 3.354 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.824 -3.453 0.117 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.714 -2.228 4.748 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.485 -2.311 1.513 1.00 0.30 H new ATOM 0 HH TYR A 455 12.975 -1.761 4.933 1.00 0.29 H new ATOM 889 N ASN A 456 7.057 -6.815 1.253 1.00 0.12 N ATOM 890 CA ASN A 456 5.722 -7.246 0.855 1.00 0.12 C ATOM 891 C ASN A 456 4.751 -6.106 1.061 1.00 0.13 C ATOM 892 O ASN A 456 4.318 -5.821 2.180 1.00 0.15 O ATOM 893 CB ASN A 456 5.280 -8.494 1.635 1.00 0.14 C ATOM 894 CG ASN A 456 4.095 -9.212 0.977 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.846 -9.038 -0.216 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.371 -10.053 1.723 1.00 0.20 N ATOM 0 H ASN A 456 7.299 -7.030 2.220 1.00 0.12 H new ATOM 0 HA ASN A 456 5.739 -7.519 -0.200 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.120 -9.184 1.715 1.00 0.14 H new ATOM 0 HB3 ASN A 456 5.007 -8.206 2.650 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.595 -10.566 1.305 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.595 -10.182 2.710 1.00 0.20 H new ATOM 903 N ILE A 457 4.445 -5.442 -0.036 1.00 0.13 N ATOM 904 CA ILE A 457 3.630 -4.250 -0.022 1.00 0.14 C ATOM 905 C ILE A 457 2.152 -4.614 -0.011 1.00 0.14 C ATOM 906 O ILE A 457 1.637 -5.226 -0.945 1.00 0.18 O ATOM 907 CB ILE A 457 3.957 -3.364 -1.240 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.375 -2.790 -1.116 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.936 -2.234 -1.374 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.825 -2.002 -2.329 1.00 0.22 C ATOM 0 H ILE A 457 4.758 -5.719 -0.966 1.00 0.13 H new ATOM 0 HA ILE A 457 3.853 -3.689 0.886 1.00 0.14 H new ATOM 0 HB ILE A 457 3.907 -3.981 -2.137 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.420 -2.145 -0.238 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.074 -3.609 -0.946 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.184 -1.620 -2.240 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.940 -2.657 -1.503 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.955 -1.618 -0.475 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.836 -1.629 -2.166 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.814 -2.648 -3.207 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.149 -1.162 -2.488 1.00 0.22 H new ATOM 922 N ILE A 458 1.492 -4.244 1.065 1.00 0.16 N ATOM 923 CA ILE A 458 0.093 -4.568 1.275 1.00 0.18 C ATOM 924 C ILE A 458 -0.732 -3.299 1.436 1.00 0.20 C ATOM 925 O ILE A 458 -0.519 -2.530 2.362 1.00 0.29 O ATOM 926 CB ILE A 458 -0.065 -5.465 2.517 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.555 -6.829 2.238 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.523 -5.604 2.916 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.442 -7.787 3.394 1.00 0.27 C ATOM 0 H ILE A 458 1.911 -3.707 1.824 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.271 -5.108 0.401 1.00 0.18 H new ATOM 0 HB ILE A 458 0.455 -4.999 3.354 1.00 0.22 H new ATOM 0 HG12 ILE A 458 0.072 -7.267 1.365 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.608 -6.697 1.987 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.600 -6.243 3.796 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -1.933 -4.620 3.145 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.084 -6.049 2.094 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.904 -8.737 3.126 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.950 -7.369 4.264 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.610 -7.949 3.631 1.00 0.27 H new ATOM 941 N VAL A 459 -1.672 -3.085 0.535 1.00 0.17 N ATOM 942 CA VAL A 459 -2.470 -1.868 0.544 1.00 0.18 C ATOM 943 C VAL A 459 -3.858 -2.178 1.069 1.00 0.18 C ATOM 944 O VAL A 459 -4.565 -2.992 0.489 1.00 0.23 O ATOM 945 CB VAL A 459 -2.601 -1.259 -0.871 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.251 0.114 -0.809 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.252 -1.189 -1.577 1.00 0.20 C ATOM 0 H VAL A 459 -1.904 -3.737 -0.214 1.00 0.17 H new ATOM 0 HA VAL A 459 -1.965 -1.146 1.186 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.244 -1.917 -1.455 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.333 0.524 -1.816 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.245 0.026 -0.371 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.641 0.778 -0.196 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.382 -0.756 -2.569 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.569 -0.568 -0.997 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -0.838 -2.193 -1.671 1.00 0.20 H new ATOM 957 N GLU A 460 -4.242 -1.555 2.169 1.00 0.18 N ATOM 958 CA GLU A 460 -5.567 -1.768 2.730 1.00 0.22 C ATOM 959 C GLU A 460 -6.406 -0.503 2.642 1.00 0.21 C ATOM 960 O GLU A 460 -5.902 0.609 2.803 1.00 0.30 O ATOM 961 CB GLU A 460 -5.499 -2.229 4.184 1.00 0.30 C ATOM 962 CG GLU A 460 -4.831 -3.581 4.382 1.00 0.36 C ATOM 963 CD GLU A 460 -4.985 -4.111 5.794 1.00 0.60 C ATOM 964 OE1 GLU A 460 -4.444 -3.488 6.734 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.632 -5.168 5.969 1.00 0.82 O ATOM 0 H GLU A 460 -3.659 -0.900 2.691 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.036 -2.554 2.139 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.959 -1.482 4.765 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.511 -2.275 4.586 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.258 -4.298 3.681 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.771 -3.496 4.144 1.00 0.36 H new ATOM 972 N ALA A 461 -7.685 -0.690 2.390 1.00 0.16 N ATOM 973 CA ALA A 461 -8.622 0.410 2.291 1.00 0.15 C ATOM 974 C ALA A 461 -9.307 0.657 3.621 1.00 0.14 C ATOM 975 O ALA A 461 -10.036 -0.201 4.122 1.00 0.17 O ATOM 976 CB ALA A 461 -9.651 0.122 1.209 1.00 0.16 C ATOM 0 H ALA A 461 -8.104 -1.609 2.248 1.00 0.16 H new ATOM 0 HA ALA A 461 -8.070 1.311 2.023 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.351 0.955 1.142 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -9.146 -0.006 0.251 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.194 -0.790 1.457 1.00 0.16 H new ATOM 982 N LEU A 462 -9.053 1.820 4.197 1.00 0.16 N ATOM 983 CA LEU A 462 -9.726 2.230 5.411 1.00 0.20 C ATOM 984 C LEU A 462 -11.102 2.771 5.038 1.00 0.22 C ATOM 985 O LEU A 462 -11.233 3.920 4.608 1.00 0.24 O ATOM 986 CB LEU A 462 -8.918 3.313 6.147 1.00 0.25 C ATOM 987 CG LEU A 462 -9.215 3.473 7.645 1.00 0.34 C ATOM 988 CD1 LEU A 462 -9.470 2.134 8.314 1.00 0.85 C ATOM 989 CD2 LEU A 462 -8.067 4.163 8.351 1.00 0.78 C ATOM 0 H LEU A 462 -8.381 2.498 3.838 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.823 1.374 6.079 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -7.858 3.090 6.029 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.099 4.270 5.657 1.00 0.25 H new ATOM 0 HG LEU A 462 -10.115 4.082 7.724 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -9.676 2.290 9.373 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -10.327 1.650 7.845 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.590 1.500 8.205 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -8.300 4.265 9.411 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -7.159 3.571 8.235 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -7.914 5.151 7.916 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.117 1.942 5.188 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.464 2.297 4.794 1.00 0.30 C ATOM 1003 C LYS A 463 -14.361 2.113 5.974 1.00 0.40 C ATOM 1004 O LYS A 463 -14.749 0.983 6.277 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.939 1.395 3.647 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.268 1.806 3.005 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.125 2.916 1.978 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.483 3.308 1.411 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.285 4.094 2.385 1.00 1.62 N ATOM 0 H LYS A 463 -12.030 1.007 5.585 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.486 3.332 4.453 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -13.170 1.380 2.875 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -14.034 0.376 4.022 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.717 0.935 2.527 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.955 2.131 3.786 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.654 3.785 2.438 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.470 2.588 1.171 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.342 3.892 0.502 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -17.032 2.409 1.130 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -18.221 4.297 1.980 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.399 3.547 3.262 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -16.797 4.988 2.595 1.00 1.62 H new ATOM 1023 N ASP A 464 -14.635 3.202 6.692 1.00 0.58 N ATOM 1024 CA ASP A 464 -15.724 3.153 7.666 1.00 0.61 C ATOM 1025 C ASP A 464 -15.335 2.300 8.851 1.00 0.51 C ATOM 1026 O ASP A 464 -16.065 1.412 9.291 1.00 0.53 O ATOM 1027 CB ASP A 464 -16.928 2.568 6.971 1.00 0.72 C ATOM 1028 CG ASP A 464 -17.847 3.609 6.363 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -17.821 3.789 5.129 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -18.594 4.263 7.122 1.00 1.15 O ATOM 0 H ASP A 464 -14.142 4.093 6.624 1.00 0.58 H new ATOM 0 HA ASP A 464 -15.946 4.153 8.039 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -16.590 1.892 6.186 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -17.494 1.970 7.685 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.152 2.599 9.318 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.552 2.006 10.503 1.00 0.49 C ATOM 1037 C GLN A 465 -13.097 0.568 10.269 1.00 0.44 C ATOM 1038 O GLN A 465 -12.956 -0.205 11.216 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.503 2.064 11.701 1.00 0.56 C ATOM 1040 CG GLN A 465 -14.901 3.475 12.096 1.00 0.67 C ATOM 1041 CD GLN A 465 -15.734 3.507 13.360 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -15.202 3.599 14.465 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -17.046 3.436 13.210 1.00 1.39 N ATOM 0 H GLN A 465 -13.549 3.289 8.871 1.00 0.52 H new ATOM 0 HA GLN A 465 -12.668 2.603 10.726 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.402 1.494 11.468 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.029 1.577 12.554 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -14.003 4.076 12.240 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -15.463 3.932 11.282 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -17.449 3.360 12.276 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -17.655 3.457 14.028 1.00 1.39 H new ATOM 1052 N GLN A 466 -12.866 0.202 9.015 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.426 -1.147 8.703 1.00 0.36 C ATOM 1054 C GLN A 466 -11.366 -1.155 7.616 1.00 0.28 C ATOM 1055 O GLN A 466 -11.218 -0.189 6.864 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.618 -1.982 8.289 1.00 0.54 C ATOM 1057 CG GLN A 466 -13.861 -1.903 6.824 1.00 1.20 C ATOM 1058 CD GLN A 466 -15.190 -2.484 6.393 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -15.300 -3.674 6.097 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -16.207 -1.640 6.334 1.00 2.13 N ATOM 0 H GLN A 466 -12.975 0.814 8.207 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.973 -1.576 9.597 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -13.452 -3.021 8.575 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -14.505 -1.642 8.824 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.813 -0.859 6.513 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -13.060 -2.428 6.303 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -16.073 -0.661 6.588 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -17.125 -1.968 6.034 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.631 -2.256 7.552 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.524 -2.394 6.628 1.00 0.30 C ATOM 1071 C ARG A 467 -9.667 -3.653 5.787 1.00 0.33 C ATOM 1072 O ARG A 467 -9.926 -4.742 6.303 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.216 -2.429 7.410 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.982 -1.165 8.209 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.931 -1.351 9.284 1.00 0.43 C ATOM 1076 NE ARG A 467 -7.255 -2.438 10.209 1.00 1.24 N ATOM 1077 CZ ARG A 467 -6.468 -3.493 10.434 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -5.380 -3.698 9.700 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -6.789 -4.364 11.382 1.00 2.58 N ATOM 0 H ARG A 467 -10.788 -3.075 8.139 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.524 -1.539 5.952 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -8.223 -3.285 8.085 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.387 -2.576 6.718 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.673 -0.365 7.537 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.918 -0.851 8.670 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -5.969 -1.554 8.814 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -6.822 -0.423 9.845 1.00 0.43 H new ATOM 0 HE ARG A 467 -8.139 -2.386 10.715 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -5.137 -3.046 8.954 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -4.787 -4.508 9.882 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -7.634 -4.226 11.936 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -6.190 -5.171 11.557 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.529 -3.481 4.486 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.537 -4.594 3.544 1.00 0.32 C ATOM 1095 C HIS A 468 -8.375 -4.425 2.575 1.00 0.24 C ATOM 1096 O HIS A 468 -8.083 -3.298 2.187 1.00 0.27 O ATOM 1097 CB HIS A 468 -10.860 -4.633 2.775 1.00 0.44 C ATOM 1098 CG HIS A 468 -11.962 -5.319 3.514 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -12.364 -6.601 3.231 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.748 -4.896 4.530 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -13.350 -6.938 4.036 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -13.602 -5.922 4.837 1.00 1.25 N ATOM 0 H HIS A 468 -9.408 -2.568 4.048 1.00 0.28 H new ATOM 0 HA HIS A 468 -9.431 -5.532 4.089 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.168 -3.613 2.546 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -10.702 -5.140 1.823 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.710 -3.929 5.010 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -13.865 -7.887 4.039 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.316 -5.903 5.566 1.00 1.25 H new ATOM 1111 N LYS A 469 -7.713 -5.503 2.148 1.00 0.27 N ATOM 1112 CA LYS A 469 -6.532 -5.309 1.296 1.00 0.40 C ATOM 1113 C LYS A 469 -6.961 -5.211 -0.155 1.00 0.29 C ATOM 1114 O LYS A 469 -7.825 -5.949 -0.631 1.00 0.37 O ATOM 1115 CB LYS A 469 -5.423 -6.342 1.455 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.781 -7.664 0.895 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.524 -8.457 0.634 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.791 -8.848 1.912 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.617 -9.702 2.803 1.00 0.84 N ATOM 0 H LYS A 469 -7.954 -6.471 2.362 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.083 -4.376 1.637 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -4.521 -5.977 0.964 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -5.187 -6.454 2.513 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.426 -8.202 1.590 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.343 -7.539 -0.030 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -4.779 -9.359 0.077 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -3.856 -7.871 0.003 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.874 -9.378 1.654 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -3.497 -7.946 2.449 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -4.017 -10.106 3.551 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.369 -9.128 3.235 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -5.044 -10.471 2.248 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.368 -4.259 -0.826 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.689 -3.921 -2.193 1.00 0.18 C ATOM 1135 C VAL A 470 -5.655 -4.504 -3.128 1.00 0.18 C ATOM 1136 O VAL A 470 -5.902 -4.735 -4.315 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.682 -2.400 -2.328 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.117 -1.960 -3.718 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.539 -1.788 -1.230 1.00 0.59 C ATOM 0 H VAL A 470 -5.628 -3.680 -0.429 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.668 -4.325 -2.450 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.662 -2.036 -2.204 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.100 -0.872 -3.777 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.435 -2.375 -4.461 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.128 -2.318 -3.913 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.534 -0.702 -1.327 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.561 -2.155 -1.319 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.137 -2.067 -0.256 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.495 -4.742 -2.562 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.348 -5.179 -3.310 1.00 0.19 C ATOM 1151 C ARG A 471 -2.272 -5.665 -2.362 1.00 0.18 C ATOM 1152 O ARG A 471 -2.028 -5.059 -1.319 1.00 0.22 O ATOM 1153 CB ARG A 471 -2.824 -4.041 -4.182 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.510 -4.363 -4.858 1.00 0.77 C ATOM 1155 CD ARG A 471 -1.468 -3.798 -6.254 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.189 -4.080 -6.914 1.00 1.18 N ATOM 1157 CZ ARG A 471 0.156 -3.623 -8.119 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -0.698 -2.897 -8.830 1.00 1.39 N ATOM 1159 NH2 ARG A 471 1.356 -3.903 -8.618 1.00 2.13 N ATOM 0 H ARG A 471 -4.323 -4.636 -1.562 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.638 -6.004 -3.961 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.568 -3.803 -4.943 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.700 -3.149 -3.568 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.686 -3.956 -4.272 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.371 -5.443 -4.895 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.282 -4.221 -6.842 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -1.628 -2.721 -6.216 1.00 0.52 H new ATOM 0 HE ARG A 471 0.483 -4.666 -6.418 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -1.623 -2.686 -8.456 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.429 -2.550 -9.751 1.00 1.39 H new ATOM 0 HH21 ARG A 471 2.013 -4.467 -8.080 1.00 2.13 H new ATOM 0 HH22 ARG A 471 1.619 -3.553 -9.539 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.658 -6.769 -2.720 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.534 -7.300 -1.978 1.00 0.18 C ATOM 1175 C GLU A 472 0.520 -7.774 -2.947 1.00 0.18 C ATOM 1176 O GLU A 472 0.235 -8.566 -3.847 1.00 0.21 O ATOM 1177 CB GLU A 472 -0.946 -8.449 -1.060 1.00 0.21 C ATOM 1178 CG GLU A 472 0.225 -9.353 -0.703 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.060 -10.275 0.465 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.880 -10.941 0.949 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.228 -10.350 0.902 1.00 0.65 O ATOM 0 H GLU A 472 -1.922 -7.325 -3.533 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.139 -6.504 -1.348 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.380 -8.043 -0.146 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -1.722 -9.039 -1.547 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.490 -9.953 -1.574 1.00 0.21 H new ATOM 0 HG3 GLU A 472 1.092 -8.736 -0.466 1.00 0.21 H new ATOM 1188 N GLU A 473 1.727 -7.277 -2.779 1.00 0.16 N ATOM 1189 CA GLU A 473 2.798 -7.632 -3.677 1.00 0.17 C ATOM 1190 C GLU A 473 4.140 -7.321 -3.085 1.00 0.20 C ATOM 1191 O GLU A 473 4.422 -6.188 -2.697 1.00 0.26 O ATOM 1192 CB GLU A 473 2.603 -6.931 -5.024 1.00 0.23 C ATOM 1193 CG GLU A 473 3.722 -7.145 -6.024 1.00 0.27 C ATOM 1194 CD GLU A 473 3.404 -6.517 -7.365 1.00 1.24 C ATOM 1195 OE1 GLU A 473 3.455 -5.278 -7.472 1.00 2.26 O ATOM 1196 OE2 GLU A 473 3.125 -7.261 -8.330 1.00 1.25 O ATOM 0 H GLU A 473 1.987 -6.631 -2.034 1.00 0.16 H new ATOM 0 HA GLU A 473 2.768 -8.709 -3.840 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.669 -7.279 -5.466 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.493 -5.861 -4.847 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.646 -6.719 -5.633 1.00 0.27 H new ATOM 0 HG3 GLU A 473 3.894 -8.213 -6.154 1.00 0.27 H new ATOM 1203 N VAL A 474 4.966 -8.341 -3.006 1.00 0.24 N ATOM 1204 CA VAL A 474 6.271 -8.172 -2.458 1.00 0.28 C ATOM 1205 C VAL A 474 7.313 -7.900 -3.526 1.00 0.21 C ATOM 1206 O VAL A 474 7.437 -8.621 -4.516 1.00 0.28 O ATOM 1207 CB VAL A 474 6.689 -9.344 -1.538 1.00 0.49 C ATOM 1208 CG1 VAL A 474 6.284 -10.691 -2.093 1.00 0.80 C ATOM 1209 CG2 VAL A 474 8.180 -9.318 -1.254 1.00 1.22 C ATOM 0 H VAL A 474 4.748 -9.288 -3.316 1.00 0.24 H new ATOM 0 HA VAL A 474 6.218 -7.284 -1.828 1.00 0.28 H new ATOM 0 HB VAL A 474 6.151 -9.203 -0.600 1.00 0.49 H new ATOM 0 HG11 VAL A 474 6.602 -11.477 -1.408 1.00 0.80 H new ATOM 0 HG12 VAL A 474 5.201 -10.726 -2.208 1.00 0.80 H new ATOM 0 HG13 VAL A 474 6.757 -10.842 -3.063 1.00 0.80 H new ATOM 0 HG21 VAL A 474 8.441 -10.154 -0.605 1.00 1.22 H new ATOM 0 HG22 VAL A 474 8.730 -9.400 -2.191 1.00 1.22 H new ATOM 0 HG23 VAL A 474 8.440 -8.381 -0.761 1.00 1.22 H new ATOM 1219 N VAL A 475 8.036 -6.818 -3.309 1.00 0.19 N ATOM 1220 CA VAL A 475 9.064 -6.362 -4.208 1.00 0.19 C ATOM 1221 C VAL A 475 10.381 -6.304 -3.501 1.00 0.19 C ATOM 1222 O VAL A 475 10.486 -5.878 -2.352 1.00 0.26 O ATOM 1223 CB VAL A 475 8.773 -4.946 -4.731 1.00 0.22 C ATOM 1224 CG1 VAL A 475 9.325 -4.772 -6.128 1.00 0.41 C ATOM 1225 CG2 VAL A 475 7.286 -4.624 -4.683 1.00 0.32 C ATOM 0 H VAL A 475 7.919 -6.225 -2.487 1.00 0.19 H new ATOM 0 HA VAL A 475 9.089 -7.068 -5.038 1.00 0.19 H new ATOM 0 HB VAL A 475 9.276 -4.238 -4.073 1.00 0.22 H new ATOM 0 HG11 VAL A 475 9.109 -3.764 -6.481 1.00 0.41 H new ATOM 0 HG12 VAL A 475 10.404 -4.929 -6.115 1.00 0.41 H new ATOM 0 HG13 VAL A 475 8.861 -5.498 -6.796 1.00 0.41 H new ATOM 0 HG21 VAL A 475 7.120 -3.615 -5.060 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.739 -5.337 -5.300 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.933 -4.689 -3.654 1.00 0.32 H new ATOM 1235 N THR A 476 11.364 -6.768 -4.195 1.00 0.24 N ATOM 1236 CA THR A 476 12.723 -6.598 -3.807 1.00 0.24 C ATOM 1237 C THR A 476 13.223 -5.284 -4.370 1.00 0.26 C ATOM 1238 O THR A 476 13.177 -5.048 -5.577 1.00 0.33 O ATOM 1239 CB THR A 476 13.516 -7.756 -4.366 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.124 -8.972 -3.716 1.00 0.32 O ATOM 1241 CG2 THR A 476 15.022 -7.535 -4.231 1.00 0.38 C ATOM 0 H THR A 476 11.243 -7.286 -5.065 1.00 0.24 H new ATOM 0 HA THR A 476 12.830 -6.578 -2.722 1.00 0.24 H new ATOM 0 HB THR A 476 13.297 -7.829 -5.431 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.640 -9.720 -4.083 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.554 -8.391 -4.645 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.307 -6.634 -4.773 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.280 -7.422 -3.178 1.00 0.38 H new ATOM 1249 N VAL A 477 13.676 -4.433 -3.490 1.00 0.25 N ATOM 1250 CA VAL A 477 13.993 -3.072 -3.846 1.00 0.29 C ATOM 1251 C VAL A 477 15.444 -2.934 -4.295 1.00 0.33 C ATOM 1252 O VAL A 477 16.345 -3.508 -3.692 1.00 0.37 O ATOM 1253 CB VAL A 477 13.705 -2.166 -2.643 1.00 0.28 C ATOM 1254 CG1 VAL A 477 14.184 -0.748 -2.887 1.00 0.35 C ATOM 1255 CG2 VAL A 477 12.216 -2.183 -2.339 1.00 0.31 C ATOM 0 H VAL A 477 13.836 -4.660 -2.509 1.00 0.25 H new ATOM 0 HA VAL A 477 13.371 -2.772 -4.689 1.00 0.29 H new ATOM 0 HB VAL A 477 14.254 -2.550 -1.783 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.963 -0.134 -2.014 1.00 0.35 H new ATOM 0 HG12 VAL A 477 15.259 -0.753 -3.065 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.674 -0.336 -3.758 1.00 0.35 H new ATOM 0 HG21 VAL A 477 12.012 -1.539 -1.484 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.663 -1.821 -3.206 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.903 -3.201 -2.109 1.00 0.31 H new