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 454 THR OG1 : rot -65:sc= 0.178 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.178 USER MOD Set 2.1: A 416 THR OG1 : rot 149:sc= 2.25 USER MOD Set 2.2: A 419 TYR OH : rot 138:sc= 0.626 USER MOD Set 3.1: A 407 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.2: A 445 THR OG1 : rot -62:sc= 1.19 USER MOD Single : A 404 SER OG : rot -120:sc= -3.75! USER MOD Single : A 405 GLN : amide:sc= 0.257! C(o=0.26!,f=-5.7!) USER MOD Single : A 406 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.3!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 139:sc= 0.786 USER MOD Single : A 423 CYS SG : rot 150:sc= -2.22 USER MOD Single : A 424 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=-0.26) USER MOD Single : A 428 THR OG1 : rot 180:sc= -0.0644 USER MOD Single : A 434 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 441 SER OG : rot 180:sc= -0.188 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot -19:sc= 0.603 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 100:sc= 0.414 USER MOD Single : A 456 ASN : amide:sc= -0.372 K(o=-0.37,f=-4.3!) USER MOD Single : A 463 LYS NZ :NH3+ -160:sc= -0.0929 (180deg=-0.311) USER MOD Single : A 465 GLN : amide:sc= -0.948 K(o=-0.95,f=0) USER MOD Single : A 466 GLN : amide:sc= -0.0645 X(o=-0.064,f=0) USER MOD Single : A 468 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 167:sc= -0.0188 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.881 4.604 -1.451 1.00 0.30 N ATOM 121 CA SER A 404 14.354 4.102 -2.692 1.00 0.27 C ATOM 122 C SER A 404 12.840 4.244 -2.729 1.00 0.28 C ATOM 123 O SER A 404 12.126 3.707 -1.880 1.00 0.43 O ATOM 124 CB SER A 404 14.791 2.657 -2.869 1.00 0.28 C ATOM 125 OG SER A 404 16.161 2.600 -3.211 1.00 1.04 O ATOM 0 HA SER A 404 14.747 4.687 -3.523 1.00 0.27 H new ATOM 0 HB2 SER A 404 14.615 2.101 -1.948 1.00 0.28 H new ATOM 0 HB3 SER A 404 14.194 2.182 -3.647 1.00 0.28 H new ATOM 0 HG SER A 404 16.263 2.161 -4.081 1.00 1.04 H new ATOM 131 N GLN A 405 12.364 4.991 -3.709 1.00 0.26 N ATOM 132 CA GLN A 405 10.951 5.295 -3.825 1.00 0.26 C ATOM 133 C GLN A 405 10.256 4.276 -4.708 1.00 0.27 C ATOM 134 O GLN A 405 10.726 3.965 -5.801 1.00 0.43 O ATOM 135 CB GLN A 405 10.727 6.693 -4.411 1.00 0.30 C ATOM 136 CG GLN A 405 11.922 7.635 -4.296 1.00 0.33 C ATOM 137 CD GLN A 405 12.984 7.403 -5.370 1.00 0.58 C ATOM 138 OE1 GLN A 405 13.922 6.632 -5.172 1.00 0.99 O ATOM 139 NE2 GLN A 405 12.844 8.057 -6.517 1.00 0.91 N ATOM 0 H GLN A 405 12.943 5.401 -4.442 1.00 0.26 H new ATOM 0 HA GLN A 405 10.530 5.260 -2.820 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.462 6.592 -5.463 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.873 7.149 -3.910 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.571 8.665 -4.360 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.377 7.514 -3.313 1.00 0.33 H new ATOM 0 HE21 GLN A 405 12.055 8.690 -6.650 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.525 7.927 -7.265 1.00 0.91 H new ATOM 148 N THR A 406 9.153 3.748 -4.224 1.00 0.18 N ATOM 149 CA THR A 406 8.327 2.863 -5.009 1.00 0.19 C ATOM 150 C THR A 406 6.985 3.492 -5.266 1.00 0.17 C ATOM 151 O THR A 406 6.118 3.540 -4.398 1.00 0.16 O ATOM 152 CB THR A 406 8.134 1.515 -4.298 1.00 0.21 C ATOM 153 OG1 THR A 406 9.403 0.874 -4.115 1.00 0.27 O ATOM 154 CG2 THR A 406 7.210 0.610 -5.075 1.00 0.29 C ATOM 0 H THR A 406 8.807 3.920 -3.280 1.00 0.18 H new ATOM 0 HA THR A 406 8.833 2.688 -5.959 1.00 0.19 H new ATOM 0 HB THR A 406 7.679 1.709 -3.327 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.273 0.016 -3.660 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.095 -0.335 -4.544 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.236 1.088 -5.180 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.630 0.422 -6.063 1.00 0.29 H new ATOM 162 N THR A 407 6.848 4.022 -6.450 1.00 0.19 N ATOM 163 CA THR A 407 5.575 4.471 -6.922 1.00 0.19 C ATOM 164 C THR A 407 4.725 3.262 -7.283 1.00 0.19 C ATOM 165 O THR A 407 5.034 2.518 -8.218 1.00 0.26 O ATOM 166 CB THR A 407 5.762 5.397 -8.121 1.00 0.24 C ATOM 167 OG1 THR A 407 6.339 6.634 -7.683 1.00 0.26 O ATOM 168 CG2 THR A 407 4.444 5.656 -8.845 1.00 0.24 C ATOM 0 H THR A 407 7.615 4.153 -7.110 1.00 0.19 H new ATOM 0 HA THR A 407 5.064 5.036 -6.142 1.00 0.19 H new ATOM 0 HB THR A 407 6.432 4.908 -8.828 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.461 7.229 -8.452 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.618 6.319 -9.692 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.033 4.712 -9.202 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.737 6.122 -8.159 1.00 0.24 H new ATOM 176 N ILE A 408 3.671 3.067 -6.521 1.00 0.21 N ATOM 177 CA ILE A 408 2.835 1.886 -6.662 1.00 0.21 C ATOM 178 C ILE A 408 1.400 2.296 -6.883 1.00 0.18 C ATOM 179 O ILE A 408 0.891 3.214 -6.239 1.00 0.16 O ATOM 180 CB ILE A 408 2.962 0.885 -5.460 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.700 0.032 -5.275 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.257 1.595 -4.152 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.963 -1.323 -4.655 1.00 0.27 C ATOM 0 H ILE A 408 3.368 3.713 -5.792 1.00 0.21 H new ATOM 0 HA ILE A 408 3.195 1.342 -7.535 1.00 0.21 H new ATOM 0 HB ILE A 408 3.799 0.236 -5.716 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.994 0.577 -4.649 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.223 -0.109 -6.245 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.336 0.861 -3.350 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.196 2.141 -4.238 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.451 2.293 -3.927 1.00 0.25 H new ATOM 0 HD11 ILE A 408 1.023 -1.867 -4.557 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.644 -1.888 -5.291 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.411 -1.192 -3.670 1.00 0.27 H new ATOM 195 N SER A 409 0.777 1.643 -7.836 1.00 0.18 N ATOM 196 CA SER A 409 -0.583 1.947 -8.192 1.00 0.16 C ATOM 197 C SER A 409 -1.500 0.776 -7.909 1.00 0.13 C ATOM 198 O SER A 409 -1.109 -0.391 -8.005 1.00 0.15 O ATOM 199 CB SER A 409 -0.672 2.338 -9.662 1.00 0.21 C ATOM 200 OG SER A 409 -0.023 1.384 -10.490 1.00 0.71 O ATOM 0 H SER A 409 1.198 0.891 -8.382 1.00 0.18 H new ATOM 0 HA SER A 409 -0.908 2.788 -7.580 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.718 2.425 -9.955 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.218 3.318 -9.808 1.00 0.21 H new ATOM 0 HG SER A 409 -0.098 1.660 -11.427 1.00 0.71 H new ATOM 206 N TRP A 410 -2.717 1.106 -7.563 1.00 0.16 N ATOM 207 CA TRP A 410 -3.738 0.114 -7.282 1.00 0.17 C ATOM 208 C TRP A 410 -5.021 0.545 -7.898 1.00 0.18 C ATOM 209 O TRP A 410 -5.204 1.712 -8.248 1.00 0.19 O ATOM 210 CB TRP A 410 -3.931 -0.096 -5.782 1.00 0.16 C ATOM 211 CG TRP A 410 -4.240 1.162 -5.020 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.466 1.677 -4.664 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.268 2.077 -4.521 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.292 2.838 -3.951 1.00 0.13 N ATOM 215 CE2 TRP A 410 -3.952 3.105 -3.855 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.878 2.108 -4.576 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.281 4.162 -3.243 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.213 3.151 -3.979 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.912 4.168 -3.315 1.00 0.14 C ATOM 0 H TRP A 410 -3.035 2.070 -7.466 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.414 -0.836 -7.707 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.740 -0.810 -5.627 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.027 -0.545 -5.370 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.421 1.235 -4.908 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.040 3.409 -3.557 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.331 1.325 -5.080 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.819 4.946 -2.732 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.134 3.188 -4.022 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.361 4.973 -2.851 1.00 0.14 H new ATOM 230 N ALA A 411 -5.897 -0.399 -8.045 1.00 0.19 N ATOM 231 CA ALA A 411 -7.129 -0.141 -8.672 1.00 0.22 C ATOM 232 C ALA A 411 -8.108 0.448 -7.693 1.00 0.19 C ATOM 233 O ALA A 411 -8.224 0.006 -6.549 1.00 0.19 O ATOM 234 CB ALA A 411 -7.659 -1.392 -9.300 1.00 0.26 C ATOM 0 H ALA A 411 -5.768 -1.361 -7.731 1.00 0.19 H new ATOM 0 HA ALA A 411 -6.979 0.593 -9.464 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.613 -1.181 -9.783 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.949 -1.755 -10.043 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.801 -2.152 -8.532 1.00 0.26 H new ATOM 240 N PRO A 412 -8.797 1.476 -8.157 1.00 0.20 N ATOM 241 CA PRO A 412 -9.751 2.227 -7.372 1.00 0.19 C ATOM 242 C PRO A 412 -10.748 1.332 -6.683 1.00 0.20 C ATOM 243 O PRO A 412 -11.419 0.518 -7.320 1.00 0.23 O ATOM 244 CB PRO A 412 -10.490 3.083 -8.383 1.00 0.24 C ATOM 245 CG PRO A 412 -9.689 3.060 -9.643 1.00 0.26 C ATOM 246 CD PRO A 412 -8.672 1.964 -9.525 1.00 0.23 C ATOM 0 HA PRO A 412 -9.244 2.796 -6.593 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.494 2.695 -8.557 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.602 4.103 -8.016 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.336 2.888 -10.503 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.198 4.020 -9.800 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.863 1.169 -10.246 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.666 2.336 -9.720 1.00 0.23 H new ATOM 254 N PHE A 413 -10.838 1.486 -5.388 1.00 0.21 N ATOM 255 CA PHE A 413 -11.774 0.720 -4.620 1.00 0.30 C ATOM 256 C PHE A 413 -13.135 1.424 -4.592 1.00 0.51 C ATOM 257 O PHE A 413 -13.945 1.195 -5.489 1.00 1.35 O ATOM 258 CB PHE A 413 -11.202 0.451 -3.225 1.00 0.30 C ATOM 259 CG PHE A 413 -12.083 -0.371 -2.346 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.496 0.097 -1.112 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.497 -1.615 -2.764 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.309 -0.671 -0.305 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.312 -2.393 -1.965 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.721 -1.876 -0.690 1.00 0.57 C ATOM 0 H PHE A 413 -10.271 2.138 -4.845 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.939 -0.251 -5.087 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.242 -0.054 -3.330 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -11.008 1.405 -2.735 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.179 1.073 -0.777 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -12.181 -1.987 -3.727 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.617 -0.287 0.657 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.635 -3.370 -2.293 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.360 -2.462 -0.046 1.00 0.57 H new ATOM 274 N GLN A 414 -13.370 2.302 -3.608 1.00 0.54 N ATOM 275 CA GLN A 414 -14.617 3.121 -3.580 1.00 0.53 C ATOM 276 C GLN A 414 -14.744 3.898 -2.306 1.00 0.44 C ATOM 277 O GLN A 414 -14.851 3.357 -1.207 1.00 0.48 O ATOM 278 CB GLN A 414 -15.920 2.313 -3.862 1.00 0.71 C ATOM 279 CG GLN A 414 -17.210 3.094 -3.650 1.00 1.28 C ATOM 280 CD GLN A 414 -17.760 2.967 -2.240 1.00 1.51 C ATOM 281 OE1 GLN A 414 -17.582 1.946 -1.582 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.434 4.005 -1.767 1.00 1.89 N ATOM 0 H GLN A 414 -12.734 2.471 -2.829 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.509 3.820 -4.410 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.893 1.954 -4.891 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.933 1.434 -3.218 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -17.031 4.146 -3.870 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -17.960 2.744 -4.359 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.561 4.836 -2.344 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -18.826 3.973 -0.826 1.00 1.89 H new ATOM 291 N ASP A 415 -14.704 5.195 -2.533 1.00 0.39 N ATOM 292 CA ASP A 415 -14.873 6.228 -1.538 1.00 0.34 C ATOM 293 C ASP A 415 -14.204 5.895 -0.225 1.00 0.31 C ATOM 294 O ASP A 415 -14.792 6.043 0.849 1.00 0.35 O ATOM 295 CB ASP A 415 -16.343 6.551 -1.300 1.00 0.40 C ATOM 296 CG ASP A 415 -17.007 7.196 -2.498 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.546 6.459 -3.354 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.996 8.442 -2.598 1.00 0.59 O ATOM 0 H ASP A 415 -14.544 5.574 -3.466 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.380 7.110 -1.948 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.875 5.634 -1.047 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.429 7.217 -0.441 1.00 0.40 H new ATOM 303 N THR A 416 -12.978 5.475 -0.323 1.00 0.27 N ATOM 304 CA THR A 416 -12.216 5.059 0.813 1.00 0.23 C ATOM 305 C THR A 416 -11.832 6.263 1.676 1.00 0.24 C ATOM 306 O THR A 416 -11.590 7.354 1.165 1.00 0.25 O ATOM 307 CB THR A 416 -10.970 4.329 0.315 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.340 3.412 -0.725 1.00 0.22 O ATOM 309 CG2 THR A 416 -10.313 3.573 1.443 1.00 0.22 C ATOM 0 H THR A 416 -12.473 5.411 -1.207 1.00 0.27 H new ATOM 0 HA THR A 416 -12.811 4.390 1.434 1.00 0.23 H new ATOM 0 HB THR A 416 -10.263 5.063 -0.072 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.599 3.320 -1.359 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.427 3.059 1.069 1.00 0.22 H new ATOM 0 HG22 THR A 416 -10.023 4.271 2.229 1.00 0.22 H new ATOM 0 HG23 THR A 416 -11.013 2.842 1.847 1.00 0.22 H new ATOM 317 N SER A 417 -11.864 6.084 2.987 1.00 0.25 N ATOM 318 CA SER A 417 -11.468 7.134 3.913 1.00 0.28 C ATOM 319 C SER A 417 -9.947 7.276 3.926 1.00 0.27 C ATOM 320 O SER A 417 -9.416 8.367 4.132 1.00 0.33 O ATOM 321 CB SER A 417 -11.989 6.817 5.318 1.00 0.32 C ATOM 322 OG SER A 417 -13.384 6.565 5.293 1.00 1.14 O ATOM 0 H SER A 417 -12.161 5.218 3.436 1.00 0.25 H new ATOM 0 HA SER A 417 -11.901 8.079 3.586 1.00 0.28 H new ATOM 0 HB2 SER A 417 -11.465 5.949 5.718 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.778 7.652 5.986 1.00 0.32 H new ATOM 0 HG SER A 417 -13.696 6.363 6.200 1.00 1.14 H new ATOM 328 N GLU A 418 -9.265 6.157 3.709 1.00 0.23 N ATOM 329 CA GLU A 418 -7.812 6.117 3.647 1.00 0.25 C ATOM 330 C GLU A 418 -7.320 4.872 2.946 1.00 0.19 C ATOM 331 O GLU A 418 -7.964 3.838 2.968 1.00 0.28 O ATOM 332 CB GLU A 418 -7.241 6.098 5.044 1.00 0.36 C ATOM 333 CG GLU A 418 -6.669 7.404 5.486 1.00 0.84 C ATOM 334 CD GLU A 418 -6.288 7.427 6.953 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.177 6.972 7.300 1.00 1.31 O ATOM 336 OE2 GLU A 418 -7.098 7.914 7.771 1.00 1.37 O ATOM 0 H GLU A 418 -9.708 5.249 3.571 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.490 7.001 3.096 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -8.025 5.802 5.741 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -6.463 5.336 5.097 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.787 7.628 4.885 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -7.395 8.194 5.294 1.00 0.84 H new ATOM 343 N TYR A 419 -6.154 4.966 2.378 1.00 0.17 N ATOM 344 CA TYR A 419 -5.460 3.783 1.891 1.00 0.16 C ATOM 345 C TYR A 419 -4.149 3.695 2.613 1.00 0.19 C ATOM 346 O TYR A 419 -3.302 4.586 2.509 1.00 0.29 O ATOM 347 CB TYR A 419 -5.195 3.768 0.375 1.00 0.16 C ATOM 348 CG TYR A 419 -6.448 3.815 -0.520 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.211 2.671 -0.757 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.889 5.012 -1.116 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.343 2.721 -1.544 1.00 0.12 C ATOM 352 CE2 TYR A 419 -8.027 5.047 -1.910 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.702 3.903 -2.172 1.00 0.14 C ATOM 354 OH TYR A 419 -9.875 3.925 -2.900 1.00 0.19 O ATOM 0 H TYR A 419 -5.654 5.843 2.235 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.112 2.931 2.084 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.561 4.619 0.127 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.630 2.868 0.132 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.911 1.731 -0.317 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.330 5.922 -0.952 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.951 1.837 -1.671 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.373 5.985 -2.318 1.00 0.18 H new ATOM 0 HH TYR A 419 -10.351 4.764 -2.728 1.00 0.19 H new ATOM 364 N ILE A 420 -3.996 2.638 3.361 1.00 0.18 N ATOM 365 CA ILE A 420 -2.815 2.449 4.150 1.00 0.18 C ATOM 366 C ILE A 420 -1.992 1.352 3.541 1.00 0.17 C ATOM 367 O ILE A 420 -2.435 0.212 3.429 1.00 0.21 O ATOM 368 CB ILE A 420 -3.164 2.115 5.601 1.00 0.22 C ATOM 369 CG1 ILE A 420 -4.076 3.213 6.143 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.893 1.980 6.447 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.581 2.958 7.529 1.00 0.32 C ATOM 0 H ILE A 420 -4.683 1.888 3.440 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.243 3.377 4.159 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.683 1.157 5.648 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.534 4.159 6.133 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.928 3.327 5.473 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.164 1.742 7.476 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.270 1.183 6.042 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.340 2.919 6.425 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.221 3.783 7.841 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.153 2.030 7.543 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -3.737 2.875 8.214 1.00 0.32 H new ATOM 383 N ILE A 421 -0.809 1.704 3.122 1.00 0.15 N ATOM 384 CA ILE A 421 0.045 0.759 2.460 1.00 0.18 C ATOM 385 C ILE A 421 1.032 0.220 3.457 1.00 0.19 C ATOM 386 O ILE A 421 1.757 0.971 4.108 1.00 0.30 O ATOM 387 CB ILE A 421 0.790 1.363 1.264 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.215 1.872 0.221 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.698 0.290 0.676 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.351 2.889 -0.734 1.00 0.32 C ATOM 0 H ILE A 421 -0.414 2.639 3.227 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.584 -0.038 2.064 1.00 0.18 H new ATOM 0 HB ILE A 421 1.394 2.213 1.580 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.591 1.023 -0.350 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.068 2.311 0.738 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.239 0.699 -0.178 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.410 -0.039 1.433 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.096 -0.559 0.352 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.422 3.197 -1.438 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.700 3.757 -0.176 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.185 2.450 -1.281 1.00 0.32 H new ATOM 402 N SER A 422 1.045 -1.072 3.562 1.00 0.14 N ATOM 403 CA SER A 422 1.811 -1.749 4.573 1.00 0.14 C ATOM 404 C SER A 422 2.951 -2.527 3.947 1.00 0.16 C ATOM 405 O SER A 422 2.784 -3.671 3.525 1.00 0.36 O ATOM 406 CB SER A 422 0.918 -2.693 5.368 1.00 0.18 C ATOM 407 OG SER A 422 0.027 -1.985 6.224 1.00 0.88 O ATOM 0 H SER A 422 0.522 -1.695 2.947 1.00 0.14 H new ATOM 0 HA SER A 422 2.226 -0.999 5.246 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.344 -3.315 4.681 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.537 -3.364 5.963 1.00 0.18 H new ATOM 0 HG SER A 422 -0.858 -2.404 6.194 1.00 0.88 H new ATOM 413 N CYS A 423 4.099 -1.893 3.871 1.00 0.14 N ATOM 414 CA CYS A 423 5.290 -2.542 3.363 1.00 0.12 C ATOM 415 C CYS A 423 5.925 -3.406 4.445 1.00 0.12 C ATOM 416 O CYS A 423 6.662 -2.909 5.294 1.00 0.13 O ATOM 417 CB CYS A 423 6.279 -1.492 2.877 1.00 0.14 C ATOM 418 SG CYS A 423 5.645 -0.434 1.557 1.00 0.95 S ATOM 0 H CYS A 423 4.235 -0.923 4.156 1.00 0.14 H new ATOM 0 HA CYS A 423 5.015 -3.185 2.527 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.571 -0.866 3.720 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.180 -1.993 2.524 1.00 0.14 H new ATOM 0 HG CYS A 423 6.201 0.738 1.636 1.00 0.95 H new ATOM 424 N HIS A 424 5.638 -4.699 4.408 1.00 0.13 N ATOM 425 CA HIS A 424 6.179 -5.631 5.395 1.00 0.15 C ATOM 426 C HIS A 424 7.538 -6.143 4.949 1.00 0.15 C ATOM 427 O HIS A 424 7.663 -6.768 3.903 1.00 0.16 O ATOM 428 CB HIS A 424 5.237 -6.815 5.617 1.00 0.18 C ATOM 429 CG HIS A 424 4.011 -6.499 6.421 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.900 -6.767 7.771 1.00 0.24 N ATOM 431 CD2 HIS A 424 2.823 -5.959 6.052 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.701 -6.405 8.193 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.032 -5.912 7.171 1.00 0.25 N ATOM 0 H HIS A 424 5.035 -5.129 3.707 1.00 0.13 H new ATOM 0 HA HIS A 424 6.284 -5.090 6.336 1.00 0.15 H new ATOM 0 HB2 HIS A 424 4.928 -7.203 4.646 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.788 -7.611 6.118 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.551 -5.628 5.061 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.332 -6.498 9.204 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.078 -5.553 7.206 1.00 0.25 H new ATOM 442 N PRO A 425 8.569 -5.885 5.746 1.00 0.17 N ATOM 443 CA PRO A 425 9.932 -6.261 5.418 1.00 0.17 C ATOM 444 C PRO A 425 10.206 -7.729 5.640 1.00 0.18 C ATOM 445 O PRO A 425 9.865 -8.316 6.669 1.00 0.24 O ATOM 446 CB PRO A 425 10.776 -5.410 6.355 1.00 0.21 C ATOM 447 CG PRO A 425 9.893 -5.085 7.503 1.00 0.32 C ATOM 448 CD PRO A 425 8.474 -5.221 7.044 1.00 0.22 C ATOM 0 HA PRO A 425 10.148 -6.097 4.362 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.663 -5.951 6.684 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.121 -4.504 5.857 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.090 -5.757 8.338 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.084 -4.072 7.857 1.00 0.32 H new ATOM 0 HD2 PRO A 425 7.884 -5.808 7.748 1.00 0.22 H new ATOM 0 HD3 PRO A 425 7.990 -4.248 6.957 1.00 0.22 H new ATOM 456 N VAL A 426 10.830 -8.292 4.643 1.00 0.15 N ATOM 457 CA VAL A 426 11.220 -9.680 4.633 1.00 0.19 C ATOM 458 C VAL A 426 12.734 -9.766 4.799 1.00 0.20 C ATOM 459 O VAL A 426 13.465 -8.946 4.244 1.00 0.20 O ATOM 460 CB VAL A 426 10.834 -10.323 3.293 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.026 -11.831 3.292 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.420 -9.957 2.879 1.00 0.21 C ATOM 0 H VAL A 426 11.089 -7.790 3.794 1.00 0.15 H new ATOM 0 HA VAL A 426 10.715 -10.203 5.445 1.00 0.19 H new ATOM 0 HB VAL A 426 11.519 -9.912 2.552 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.738 -12.234 2.321 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.073 -12.065 3.486 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.405 -12.277 4.068 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.185 -10.432 1.926 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.718 -10.301 3.638 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.340 -8.875 2.775 1.00 0.21 H new ATOM 472 N GLY A 427 13.203 -10.728 5.571 1.00 0.26 N ATOM 473 CA GLY A 427 14.640 -10.902 5.758 1.00 0.29 C ATOM 474 C GLY A 427 15.145 -10.207 7.004 1.00 0.32 C ATOM 475 O GLY A 427 15.986 -10.736 7.731 1.00 0.38 O ATOM 0 H GLY A 427 12.621 -11.397 6.076 1.00 0.26 H new ATOM 0 HA2 GLY A 427 14.870 -11.966 5.819 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.167 -10.511 4.888 1.00 0.29 H new ATOM 479 N THR A 428 14.630 -9.018 7.246 1.00 0.31 N ATOM 480 CA THR A 428 15.010 -8.235 8.402 1.00 0.37 C ATOM 481 C THR A 428 13.998 -8.364 9.516 1.00 0.41 C ATOM 482 O THR A 428 12.991 -9.061 9.390 1.00 0.41 O ATOM 483 CB THR A 428 15.108 -6.752 8.059 1.00 0.37 C ATOM 484 OG1 THR A 428 14.047 -6.384 7.166 1.00 0.30 O ATOM 485 CG2 THR A 428 16.452 -6.411 7.439 1.00 0.42 C ATOM 0 H THR A 428 13.937 -8.569 6.647 1.00 0.31 H new ATOM 0 HA THR A 428 15.978 -8.621 8.721 1.00 0.37 H new ATOM 0 HB THR A 428 15.015 -6.187 8.986 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.116 -5.430 6.952 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.486 -5.346 7.208 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.249 -6.656 8.141 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.586 -6.986 6.523 1.00 0.42 H new ATOM 493 N ASP A 429 14.280 -7.677 10.608 1.00 0.48 N ATOM 494 CA ASP A 429 13.340 -7.564 11.696 1.00 0.54 C ATOM 495 C ASP A 429 12.681 -6.195 11.670 1.00 0.49 C ATOM 496 O ASP A 429 12.171 -5.708 12.678 1.00 0.59 O ATOM 497 CB ASP A 429 14.029 -7.780 13.034 1.00 0.69 C ATOM 498 CG ASP A 429 13.051 -8.013 14.170 1.00 1.09 C ATOM 499 OD1 ASP A 429 12.326 -9.031 14.139 1.00 1.06 O ATOM 500 OD2 ASP A 429 13.009 -7.187 15.104 1.00 1.78 O ATOM 0 H ASP A 429 15.161 -7.187 10.760 1.00 0.48 H new ATOM 0 HA ASP A 429 12.579 -8.335 11.573 1.00 0.54 H new ATOM 0 HB2 ASP A 429 14.700 -8.636 12.958 1.00 0.69 H new ATOM 0 HB3 ASP A 429 14.645 -6.911 13.264 1.00 0.69 H new ATOM 505 N GLU A 430 12.706 -5.569 10.506 1.00 0.40 N ATOM 506 CA GLU A 430 12.116 -4.263 10.342 1.00 0.38 C ATOM 507 C GLU A 430 10.628 -4.303 10.473 1.00 0.31 C ATOM 508 O GLU A 430 9.992 -5.361 10.492 1.00 0.33 O ATOM 509 CB GLU A 430 12.506 -3.644 9.016 1.00 0.38 C ATOM 510 CG GLU A 430 13.970 -3.279 8.926 1.00 0.48 C ATOM 511 CD GLU A 430 14.462 -2.537 10.150 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.974 -3.191 11.083 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.337 -1.298 10.184 1.00 1.64 O ATOM 0 H GLU A 430 13.132 -5.950 9.661 1.00 0.40 H new ATOM 0 HA GLU A 430 12.508 -3.639 11.145 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.264 -4.341 8.214 1.00 0.38 H new ATOM 0 HB3 GLU A 430 11.906 -2.749 8.852 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.559 -4.187 8.795 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.133 -2.662 8.042 1.00 0.48 H new ATOM 520 N GLU A 431 10.091 -3.126 10.594 1.00 0.29 N ATOM 521 CA GLU A 431 8.703 -2.954 10.782 1.00 0.26 C ATOM 522 C GLU A 431 8.054 -2.569 9.479 1.00 0.24 C ATOM 523 O GLU A 431 8.694 -1.991 8.600 1.00 0.26 O ATOM 524 CB GLU A 431 8.484 -1.895 11.822 1.00 0.29 C ATOM 525 CG GLU A 431 9.251 -2.168 13.088 1.00 0.63 C ATOM 526 CD GLU A 431 8.994 -1.124 14.147 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.947 -0.430 14.553 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.827 -0.975 14.564 1.00 1.05 O ATOM 0 H GLU A 431 10.621 -2.255 10.563 1.00 0.29 H new ATOM 0 HA GLU A 431 8.252 -3.886 11.121 1.00 0.26 H new ATOM 0 HB2 GLU A 431 8.784 -0.927 11.420 1.00 0.29 H new ATOM 0 HB3 GLU A 431 7.420 -1.829 12.052 1.00 0.29 H new ATOM 0 HG2 GLU A 431 8.975 -3.150 13.473 1.00 0.63 H new ATOM 0 HG3 GLU A 431 10.317 -2.202 12.865 1.00 0.63 H new ATOM 535 N PRO A 432 6.782 -2.902 9.335 1.00 0.23 N ATOM 536 CA PRO A 432 6.038 -2.584 8.144 1.00 0.21 C ATOM 537 C PRO A 432 5.900 -1.085 7.993 1.00 0.20 C ATOM 538 O PRO A 432 5.290 -0.416 8.832 1.00 0.24 O ATOM 539 CB PRO A 432 4.665 -3.235 8.348 1.00 0.24 C ATOM 540 CG PRO A 432 4.602 -3.637 9.791 1.00 0.23 C ATOM 541 CD PRO A 432 5.999 -3.593 10.347 1.00 0.24 C ATOM 0 HA PRO A 432 6.531 -2.946 7.242 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.864 -2.538 8.103 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.544 -4.101 7.697 1.00 0.24 H new ATOM 0 HG2 PRO A 432 3.949 -2.963 10.346 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.184 -4.639 9.890 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.029 -3.064 11.299 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.384 -4.596 10.528 1.00 0.24 H new ATOM 549 N LEU A 433 6.482 -0.562 6.935 1.00 0.20 N ATOM 550 CA LEU A 433 6.366 0.838 6.631 1.00 0.20 C ATOM 551 C LEU A 433 4.966 1.128 6.169 1.00 0.20 C ATOM 552 O LEU A 433 4.527 0.647 5.121 1.00 0.30 O ATOM 553 CB LEU A 433 7.347 1.241 5.553 1.00 0.22 C ATOM 554 CG LEU A 433 8.751 1.599 6.036 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.535 0.357 6.415 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.488 2.407 4.982 1.00 0.73 C ATOM 0 H LEU A 433 7.043 -1.094 6.270 1.00 0.20 H new ATOM 0 HA LEU A 433 6.591 1.410 7.531 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.427 0.424 4.836 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.938 2.097 5.017 1.00 0.22 H new ATOM 0 HG LEU A 433 8.653 2.213 6.931 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.530 0.644 6.755 1.00 0.65 H new ATOM 0 HD12 LEU A 433 9.016 -0.170 7.216 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.623 -0.297 5.547 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.486 2.653 5.344 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.568 1.822 4.066 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.939 3.327 4.779 1.00 0.73 H new ATOM 568 N GLN A 434 4.271 1.898 6.955 1.00 0.17 N ATOM 569 CA GLN A 434 2.897 2.202 6.669 1.00 0.17 C ATOM 570 C GLN A 434 2.749 3.587 6.104 1.00 0.20 C ATOM 571 O GLN A 434 3.065 4.594 6.743 1.00 0.27 O ATOM 572 CB GLN A 434 2.026 2.018 7.897 1.00 0.18 C ATOM 573 CG GLN A 434 1.500 0.606 8.028 1.00 0.21 C ATOM 574 CD GLN A 434 0.707 0.393 9.306 1.00 0.38 C ATOM 575 OE1 GLN A 434 0.056 1.314 9.801 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.764 -0.810 9.867 1.00 0.74 N ATOM 0 H GLN A 434 4.635 2.330 7.804 1.00 0.17 H new ATOM 0 HA GLN A 434 2.557 1.497 5.911 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.601 2.272 8.788 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.187 2.712 7.850 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.868 0.377 7.170 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.336 -0.093 8.003 1.00 0.21 H new ATOM 0 HE21 GLN A 434 1.313 -1.551 9.431 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.259 -0.993 10.734 1.00 0.74 H new ATOM 585 N PHE A 435 2.267 3.607 4.895 1.00 0.20 N ATOM 586 CA PHE A 435 2.048 4.844 4.168 1.00 0.23 C ATOM 587 C PHE A 435 0.564 5.104 4.027 1.00 0.21 C ATOM 588 O PHE A 435 -0.190 4.234 3.607 1.00 0.24 O ATOM 589 CB PHE A 435 2.710 4.796 2.791 1.00 0.25 C ATOM 590 CG PHE A 435 4.210 4.734 2.834 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.866 3.516 2.821 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.963 5.896 2.895 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.246 3.456 2.871 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.343 5.842 2.946 1.00 0.46 C ATOM 595 CZ PHE A 435 6.987 4.621 2.892 1.00 0.47 C ATOM 0 H PHE A 435 2.011 2.768 4.375 1.00 0.20 H new ATOM 0 HA PHE A 435 2.502 5.659 4.732 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.336 3.927 2.250 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.409 5.677 2.224 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.293 2.602 2.771 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.466 6.855 2.903 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.745 2.498 2.894 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.917 6.753 3.028 1.00 0.46 H new ATOM 0 HZ PHE A 435 8.066 4.578 2.866 1.00 0.47 H new ATOM 605 N ARG A 436 0.150 6.299 4.388 1.00 0.22 N ATOM 606 CA ARG A 436 -1.257 6.648 4.376 1.00 0.21 C ATOM 607 C ARG A 436 -1.534 7.699 3.314 1.00 0.19 C ATOM 608 O ARG A 436 -1.003 8.811 3.374 1.00 0.27 O ATOM 609 CB ARG A 436 -1.687 7.167 5.746 1.00 0.27 C ATOM 610 CG ARG A 436 -1.432 6.179 6.870 1.00 0.72 C ATOM 611 CD ARG A 436 -2.163 6.585 8.138 1.00 0.74 C ATOM 612 NE ARG A 436 -1.700 7.873 8.654 1.00 1.52 N ATOM 613 CZ ARG A 436 -2.504 8.893 8.955 1.00 2.15 C ATOM 614 NH1 ARG A 436 -3.810 8.822 8.709 1.00 2.32 N ATOM 615 NH2 ARG A 436 -1.997 10.002 9.476 1.00 3.14 N ATOM 0 H ARG A 436 0.769 7.049 4.695 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.831 5.752 4.142 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.155 8.094 5.959 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.750 7.409 5.718 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -1.756 5.185 6.563 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -0.362 6.119 7.068 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -3.233 6.639 7.937 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -2.020 5.818 8.899 1.00 0.74 H new ATOM 0 HE ARG A 436 -0.697 7.999 8.792 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -4.204 7.982 8.286 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -4.417 9.608 8.943 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -0.994 10.073 9.646 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -2.610 10.784 9.707 1.00 3.14 H new ATOM 629 N VAL A 437 -2.348 7.347 2.335 1.00 0.17 N ATOM 630 CA VAL A 437 -2.702 8.261 1.271 1.00 0.16 C ATOM 631 C VAL A 437 -4.200 8.483 1.234 1.00 0.16 C ATOM 632 O VAL A 437 -4.981 7.673 1.744 1.00 0.17 O ATOM 633 CB VAL A 437 -2.207 7.778 -0.112 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.706 7.558 -0.092 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.934 6.519 -0.561 1.00 0.14 C ATOM 0 H VAL A 437 -2.778 6.425 2.258 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.201 9.204 1.488 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.434 8.560 -0.837 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.375 7.218 -1.073 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.204 8.493 0.156 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.459 6.804 0.655 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.559 6.211 -1.537 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.762 5.722 0.162 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -4.003 6.721 -0.631 1.00 0.14 H new ATOM 645 N PRO A 438 -4.586 9.617 0.658 1.00 0.17 N ATOM 646 CA PRO A 438 -5.978 10.055 0.539 1.00 0.18 C ATOM 647 C PRO A 438 -6.883 8.957 -0.033 1.00 0.16 C ATOM 648 O PRO A 438 -6.483 8.210 -0.928 1.00 0.14 O ATOM 649 CB PRO A 438 -5.860 11.249 -0.433 1.00 0.19 C ATOM 650 CG PRO A 438 -4.502 11.785 -0.149 1.00 0.21 C ATOM 651 CD PRO A 438 -3.651 10.589 0.084 1.00 0.19 C ATOM 0 HA PRO A 438 -6.433 10.307 1.497 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -5.960 10.934 -1.472 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.634 11.995 -0.251 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.129 12.376 -0.985 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.511 12.438 0.724 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.209 10.223 -0.843 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.829 10.807 0.765 1.00 0.19 H new ATOM 659 N GLY A 439 -8.106 8.887 0.480 1.00 0.19 N ATOM 660 CA GLY A 439 -8.998 7.785 0.189 1.00 0.20 C ATOM 661 C GLY A 439 -9.497 7.729 -1.241 1.00 0.18 C ATOM 662 O GLY A 439 -10.198 6.787 -1.611 1.00 0.20 O ATOM 0 H GLY A 439 -8.500 9.591 1.105 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.484 6.851 0.416 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.858 7.846 0.856 1.00 0.20 H new ATOM 666 N THR A 440 -9.199 8.734 -2.042 1.00 0.16 N ATOM 667 CA THR A 440 -9.587 8.678 -3.438 1.00 0.18 C ATOM 668 C THR A 440 -8.388 8.358 -4.349 1.00 0.16 C ATOM 669 O THR A 440 -8.566 7.904 -5.484 1.00 0.19 O ATOM 670 CB THR A 440 -10.244 9.995 -3.889 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.423 11.108 -3.507 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.629 10.146 -3.280 1.00 0.29 C ATOM 0 H THR A 440 -8.702 9.579 -1.760 1.00 0.16 H new ATOM 0 HA THR A 440 -10.315 7.872 -3.530 1.00 0.18 H new ATOM 0 HB THR A 440 -10.344 9.973 -4.974 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.846 11.942 -3.799 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.073 11.084 -3.613 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.258 9.314 -3.596 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.550 10.148 -2.193 1.00 0.29 H new ATOM 680 N SER A 441 -7.170 8.593 -3.843 1.00 0.13 N ATOM 681 CA SER A 441 -5.940 8.307 -4.570 1.00 0.12 C ATOM 682 C SER A 441 -5.805 6.822 -4.900 1.00 0.11 C ATOM 683 O SER A 441 -6.224 5.961 -4.130 1.00 0.12 O ATOM 684 CB SER A 441 -4.749 8.755 -3.729 1.00 0.13 C ATOM 685 OG SER A 441 -4.812 10.146 -3.458 1.00 0.16 O ATOM 0 H SER A 441 -7.017 8.988 -2.915 1.00 0.13 H new ATOM 0 HA SER A 441 -5.968 8.852 -5.513 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.731 8.199 -2.792 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.822 8.525 -4.254 1.00 0.13 H new ATOM 0 HG SER A 441 -4.039 10.409 -2.916 1.00 0.16 H new ATOM 691 N THR A 442 -5.222 6.529 -6.052 1.00 0.10 N ATOM 692 CA THR A 442 -5.034 5.154 -6.475 1.00 0.12 C ATOM 693 C THR A 442 -3.573 4.862 -6.813 1.00 0.13 C ATOM 694 O THR A 442 -3.257 3.831 -7.407 1.00 0.16 O ATOM 695 CB THR A 442 -5.939 4.817 -7.675 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.802 5.816 -8.694 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.392 4.738 -7.235 1.00 0.17 C ATOM 0 H THR A 442 -4.872 7.226 -6.709 1.00 0.10 H new ATOM 0 HA THR A 442 -5.317 4.518 -5.636 1.00 0.12 H new ATOM 0 HB THR A 442 -5.634 3.850 -8.075 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.380 5.591 -9.453 1.00 0.14 H new ATOM 0 HG21 THR A 442 -8.020 4.499 -8.094 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.501 3.961 -6.478 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.698 5.697 -6.817 1.00 0.17 H new ATOM 705 N SER A 443 -2.679 5.766 -6.430 1.00 0.12 N ATOM 706 CA SER A 443 -1.249 5.588 -6.671 1.00 0.15 C ATOM 707 C SER A 443 -0.436 6.439 -5.699 1.00 0.15 C ATOM 708 O SER A 443 -0.818 7.564 -5.373 1.00 0.19 O ATOM 709 CB SER A 443 -0.880 5.954 -8.114 1.00 0.17 C ATOM 710 OG SER A 443 -1.696 5.271 -9.053 1.00 1.08 O ATOM 0 H SER A 443 -2.919 6.633 -5.949 1.00 0.12 H new ATOM 0 HA SER A 443 -1.013 4.536 -6.512 1.00 0.15 H new ATOM 0 HB2 SER A 443 -0.985 7.030 -8.255 1.00 0.17 H new ATOM 0 HB3 SER A 443 0.167 5.709 -8.295 1.00 0.17 H new ATOM 0 HG SER A 443 -2.105 4.491 -8.624 1.00 1.08 H new ATOM 716 N ALA A 444 0.681 5.896 -5.238 1.00 0.14 N ATOM 717 CA ALA A 444 1.524 6.579 -4.265 1.00 0.15 C ATOM 718 C ALA A 444 2.971 6.267 -4.459 1.00 0.16 C ATOM 719 O ALA A 444 3.370 5.123 -4.670 1.00 0.15 O ATOM 720 CB ALA A 444 1.112 6.221 -2.853 1.00 0.16 C ATOM 0 H ALA A 444 1.027 4.980 -5.523 1.00 0.14 H new ATOM 0 HA ALA A 444 1.385 7.649 -4.423 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.755 6.742 -2.143 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.076 6.518 -2.690 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.208 5.145 -2.708 1.00 0.16 H new ATOM 726 N THR A 445 3.739 7.321 -4.416 1.00 0.24 N ATOM 727 CA THR A 445 5.161 7.227 -4.381 1.00 0.25 C ATOM 728 C THR A 445 5.630 6.982 -2.966 1.00 0.26 C ATOM 729 O THR A 445 5.459 7.815 -2.071 1.00 0.33 O ATOM 730 CB THR A 445 5.778 8.507 -4.916 1.00 0.31 C ATOM 731 OG1 THR A 445 5.383 8.706 -6.283 1.00 0.34 O ATOM 732 CG2 THR A 445 7.300 8.463 -4.798 1.00 0.34 C ATOM 0 H THR A 445 3.385 8.277 -4.404 1.00 0.24 H new ATOM 0 HA THR A 445 5.475 6.392 -5.007 1.00 0.25 H new ATOM 0 HB THR A 445 5.418 9.345 -4.320 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.717 7.965 -6.831 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.722 9.390 -5.187 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.581 8.348 -3.751 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.685 7.620 -5.372 1.00 0.34 H new ATOM 740 N LEU A 446 6.190 5.817 -2.778 1.00 0.22 N ATOM 741 CA LEU A 446 6.628 5.383 -1.470 1.00 0.25 C ATOM 742 C LEU A 446 8.099 5.696 -1.223 1.00 0.24 C ATOM 743 O LEU A 446 8.986 4.927 -1.588 1.00 0.23 O ATOM 744 CB LEU A 446 6.324 3.877 -1.285 1.00 0.25 C ATOM 745 CG LEU A 446 4.961 3.545 -0.631 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.846 4.370 -1.250 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.651 2.061 -0.785 1.00 0.59 C ATOM 0 H LEU A 446 6.357 5.140 -3.523 1.00 0.22 H new ATOM 0 HA LEU A 446 6.069 5.945 -0.722 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.366 3.394 -2.261 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.115 3.437 -0.678 1.00 0.25 H new ATOM 0 HG LEU A 446 5.026 3.791 0.429 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.899 4.118 -0.773 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.054 5.430 -1.105 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.783 4.155 -2.317 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.690 1.840 -0.321 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.610 1.806 -1.844 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.431 1.474 -0.300 1.00 0.59 H new ATOM 759 N THR A 447 8.330 6.841 -0.596 1.00 0.30 N ATOM 760 CA THR A 447 9.666 7.264 -0.197 1.00 0.30 C ATOM 761 C THR A 447 10.023 6.695 1.168 1.00 0.29 C ATOM 762 O THR A 447 9.323 6.936 2.151 1.00 0.36 O ATOM 763 CB THR A 447 9.757 8.800 -0.108 1.00 0.39 C ATOM 764 OG1 THR A 447 8.494 9.343 0.296 1.00 0.86 O ATOM 765 CG2 THR A 447 10.190 9.416 -1.423 1.00 0.60 C ATOM 0 H THR A 447 7.595 7.504 -0.349 1.00 0.30 H new ATOM 0 HA THR A 447 10.358 6.895 -0.954 1.00 0.30 H new ATOM 0 HB THR A 447 10.515 9.044 0.637 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.560 10.319 0.352 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.242 10.500 -1.318 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.172 9.031 -1.699 1.00 0.60 H new ATOM 0 HG23 THR A 447 9.469 9.161 -2.199 1.00 0.60 H new ATOM 773 N GLY A 448 11.102 5.937 1.224 1.00 0.30 N ATOM 774 CA GLY A 448 11.596 5.466 2.505 1.00 0.38 C ATOM 775 C GLY A 448 12.068 4.027 2.476 1.00 0.30 C ATOM 776 O GLY A 448 12.862 3.621 3.324 1.00 0.38 O ATOM 0 H GLY A 448 11.645 5.638 0.414 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.420 6.104 2.825 1.00 0.38 H new ATOM 0 HA3 GLY A 448 10.806 5.567 3.250 1.00 0.38 H new ATOM 780 N LEU A 449 11.560 3.248 1.526 1.00 0.28 N ATOM 781 CA LEU A 449 11.997 1.874 1.348 1.00 0.25 C ATOM 782 C LEU A 449 13.506 1.777 1.190 1.00 0.25 C ATOM 783 O LEU A 449 14.128 2.541 0.448 1.00 0.34 O ATOM 784 CB LEU A 449 11.301 1.256 0.143 1.00 0.24 C ATOM 785 CG LEU A 449 9.776 1.199 0.245 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.177 0.670 -1.038 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.350 0.321 1.401 1.00 0.23 C ATOM 0 H LEU A 449 10.842 3.550 0.867 1.00 0.28 H new ATOM 0 HA LEU A 449 11.724 1.320 2.246 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.571 1.825 -0.747 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.680 0.244 0.001 1.00 0.24 H new ATOM 0 HG LEU A 449 9.414 2.213 0.417 1.00 0.21 H new ATOM 0 HD11 LEU A 449 8.091 0.637 -0.946 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.451 1.325 -1.865 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.556 -0.334 -1.230 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.262 0.294 1.456 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.731 -0.689 1.250 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.750 0.725 2.331 1.00 0.23 H new ATOM 799 N THR A 450 14.080 0.838 1.917 1.00 0.22 N ATOM 800 CA THR A 450 15.504 0.596 1.889 1.00 0.23 C ATOM 801 C THR A 450 15.840 -0.406 0.821 1.00 0.22 C ATOM 802 O THR A 450 15.512 -1.587 0.907 1.00 0.38 O ATOM 803 CB THR A 450 15.986 0.097 3.261 1.00 0.27 C ATOM 804 OG1 THR A 450 15.501 0.978 4.285 1.00 0.32 O ATOM 805 CG2 THR A 450 17.502 0.020 3.337 1.00 0.34 C ATOM 0 H THR A 450 13.567 0.220 2.546 1.00 0.22 H new ATOM 0 HA THR A 450 16.014 1.532 1.661 1.00 0.23 H new ATOM 0 HB THR A 450 15.594 -0.909 3.407 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.806 0.661 5.161 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.799 -0.337 4.323 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.870 -0.668 2.576 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.926 1.010 3.167 1.00 0.34 H new ATOM 813 N ARG A 451 16.441 0.121 -0.211 1.00 0.29 N ATOM 814 CA ARG A 451 16.934 -0.658 -1.317 1.00 0.26 C ATOM 815 C ARG A 451 17.810 -1.799 -0.854 1.00 0.26 C ATOM 816 O ARG A 451 18.721 -1.637 -0.037 1.00 0.30 O ATOM 817 CB ARG A 451 17.666 0.257 -2.274 1.00 0.31 C ATOM 818 CG ARG A 451 18.832 0.940 -1.618 1.00 0.32 C ATOM 819 CD ARG A 451 19.297 2.151 -2.392 1.00 0.43 C ATOM 820 NE ARG A 451 20.620 2.599 -1.953 1.00 1.32 N ATOM 821 CZ ARG A 451 21.134 3.801 -2.211 1.00 1.75 C ATOM 822 NH1 ARG A 451 20.434 4.702 -2.890 1.00 1.39 N ATOM 823 NH2 ARG A 451 22.357 4.102 -1.784 1.00 2.70 N ATOM 0 H ARG A 451 16.605 1.123 -0.310 1.00 0.29 H new ATOM 0 HA ARG A 451 16.090 -1.115 -1.834 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.018 -0.320 -3.129 1.00 0.31 H new ATOM 0 HB3 ARG A 451 16.975 1.008 -2.658 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.552 1.242 -0.609 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.657 0.234 -1.522 1.00 0.32 H new ATOM 0 HD2 ARG A 451 19.328 1.914 -3.455 1.00 0.43 H new ATOM 0 HD3 ARG A 451 18.578 2.961 -2.267 1.00 0.43 H new ATOM 0 HE ARG A 451 21.187 1.946 -1.412 1.00 1.32 H new ATOM 0 HH11 ARG A 451 19.495 4.476 -3.219 1.00 1.39 H new ATOM 0 HH12 ARG A 451 20.835 5.620 -3.083 1.00 1.39 H new ATOM 0 HH21 ARG A 451 22.898 3.414 -1.261 1.00 2.70 H new ATOM 0 HH22 ARG A 451 22.754 5.021 -1.980 1.00 2.70 H new ATOM 837 N GLY A 452 17.491 -2.959 -1.379 1.00 0.28 N ATOM 838 CA GLY A 452 18.159 -4.165 -1.000 1.00 0.34 C ATOM 839 C GLY A 452 17.378 -4.937 0.039 1.00 0.32 C ATOM 840 O GLY A 452 17.846 -5.943 0.572 1.00 0.41 O ATOM 0 H GLY A 452 16.761 -3.085 -2.080 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.309 -4.790 -1.881 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.147 -3.925 -0.608 1.00 0.34 H new ATOM 844 N ALA A 453 16.188 -4.446 0.334 1.00 0.32 N ATOM 845 CA ALA A 453 15.289 -5.095 1.269 1.00 0.31 C ATOM 846 C ALA A 453 14.001 -5.453 0.586 1.00 0.27 C ATOM 847 O ALA A 453 13.451 -4.695 -0.218 1.00 0.35 O ATOM 848 CB ALA A 453 15.038 -4.210 2.481 1.00 0.32 C ATOM 0 H ALA A 453 15.818 -3.585 -0.069 1.00 0.32 H new ATOM 0 HA ALA A 453 15.758 -6.014 1.621 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.361 -4.718 3.168 1.00 0.32 H new ATOM 0 HB2 ALA A 453 15.983 -4.008 2.986 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.590 -3.270 2.159 1.00 0.32 H new ATOM 854 N THR A 454 13.570 -6.641 0.894 1.00 0.23 N ATOM 855 CA THR A 454 12.355 -7.190 0.382 1.00 0.21 C ATOM 856 C THR A 454 11.160 -6.698 1.191 1.00 0.17 C ATOM 857 O THR A 454 11.148 -6.808 2.416 1.00 0.19 O ATOM 858 CB THR A 454 12.447 -8.709 0.476 1.00 0.22 C ATOM 859 OG1 THR A 454 13.502 -9.190 -0.351 1.00 0.29 O ATOM 860 CG2 THR A 454 11.146 -9.376 0.054 1.00 0.24 C ATOM 0 H THR A 454 14.069 -7.269 1.525 1.00 0.23 H new ATOM 0 HA THR A 454 12.217 -6.875 -0.652 1.00 0.21 H new ATOM 0 HB THR A 454 12.645 -8.959 1.518 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.288 -9.013 -1.291 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.249 -10.458 0.134 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.337 -9.040 0.703 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.918 -9.109 -0.978 1.00 0.24 H new ATOM 868 N TYR A 455 10.175 -6.135 0.515 1.00 0.16 N ATOM 869 CA TYR A 455 8.965 -5.691 1.183 1.00 0.16 C ATOM 870 C TYR A 455 7.741 -6.350 0.571 1.00 0.13 C ATOM 871 O TYR A 455 7.539 -6.300 -0.642 1.00 0.15 O ATOM 872 CB TYR A 455 8.809 -4.171 1.098 1.00 0.23 C ATOM 873 CG TYR A 455 9.900 -3.386 1.788 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.823 -3.114 3.145 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.014 -2.936 1.091 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.821 -2.418 3.792 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.019 -2.235 1.731 1.00 0.30 C ATOM 878 CZ TYR A 455 11.893 -1.903 3.031 1.00 0.26 C ATOM 879 OH TYR A 455 12.917 -1.300 3.732 1.00 0.29 O ATOM 0 H TYR A 455 10.189 -5.975 -0.492 1.00 0.16 H new ATOM 0 HA TYR A 455 9.050 -5.980 2.231 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.779 -3.880 0.048 1.00 0.23 H new ATOM 0 HB3 TYR A 455 7.849 -3.893 1.533 1.00 0.23 H new ATOM 0 HD1 TYR A 455 8.965 -3.454 3.706 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.096 -3.137 0.033 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.784 -2.269 4.861 1.00 0.22 H new ATOM 0 HE2 TYR A 455 12.908 -1.952 1.187 1.00 0.30 H new ATOM 0 HH TYR A 455 13.664 -1.927 3.824 1.00 0.29 H new ATOM 889 N ASN A 456 6.941 -6.981 1.409 1.00 0.12 N ATOM 890 CA ASN A 456 5.637 -7.453 0.993 1.00 0.12 C ATOM 891 C ASN A 456 4.664 -6.311 1.143 1.00 0.13 C ATOM 892 O ASN A 456 4.219 -5.986 2.248 1.00 0.15 O ATOM 893 CB ASN A 456 5.179 -8.661 1.816 1.00 0.14 C ATOM 894 CG ASN A 456 3.981 -9.368 1.179 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.750 -9.236 -0.023 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.227 -10.155 1.949 1.00 0.20 N ATOM 0 H ASN A 456 7.173 -7.178 2.383 1.00 0.12 H new ATOM 0 HA ASN A 456 5.686 -7.784 -0.044 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.005 -9.366 1.916 1.00 0.14 H new ATOM 0 HB3 ASN A 456 4.915 -8.335 2.822 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.440 -10.662 1.544 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.437 -10.249 2.943 1.00 0.20 H new ATOM 903 N ILE A 457 4.379 -5.685 0.029 1.00 0.13 N ATOM 904 CA ILE A 457 3.606 -4.472 0.006 1.00 0.14 C ATOM 905 C ILE A 457 2.125 -4.784 -0.094 1.00 0.14 C ATOM 906 O ILE A 457 1.641 -5.301 -1.102 1.00 0.18 O ATOM 907 CB ILE A 457 4.059 -3.579 -1.162 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.505 -3.112 -0.935 1.00 0.19 C ATOM 909 CG2 ILE A 457 3.124 -2.382 -1.332 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.995 -2.093 -1.942 1.00 0.22 C ATOM 0 H ILE A 457 4.679 -6.005 -0.892 1.00 0.13 H new ATOM 0 HA ILE A 457 3.773 -3.932 0.938 1.00 0.14 H new ATOM 0 HB ILE A 457 4.019 -4.164 -2.081 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.584 -2.685 0.065 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.164 -3.980 -0.964 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.467 -1.767 -2.164 1.00 0.18 H new ATOM 0 HG22 ILE A 457 2.113 -2.736 -1.535 1.00 0.18 H new ATOM 0 HG23 ILE A 457 3.124 -1.788 -0.418 1.00 0.18 H new ATOM 0 HD11 ILE A 457 7.024 -1.817 -1.709 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.952 -2.521 -2.943 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.363 -1.206 -1.899 1.00 0.22 H new ATOM 922 N ILE A 458 1.415 -4.481 0.974 1.00 0.16 N ATOM 923 CA ILE A 458 -0.006 -4.739 1.059 1.00 0.18 C ATOM 924 C ILE A 458 -0.749 -3.427 1.234 1.00 0.20 C ATOM 925 O ILE A 458 -0.415 -2.640 2.108 1.00 0.29 O ATOM 926 CB ILE A 458 -0.338 -5.683 2.230 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.292 -7.054 2.000 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.840 -5.823 2.403 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.028 -8.025 3.120 1.00 0.27 C ATOM 0 H ILE A 458 1.809 -4.048 1.809 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.320 -5.225 0.135 1.00 0.18 H new ATOM 0 HB ILE A 458 0.075 -5.251 3.142 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.091 -7.471 1.069 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.369 -6.936 1.877 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -2.049 -6.494 3.236 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.275 -4.845 2.607 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.275 -6.230 1.490 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.503 -8.979 2.894 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.436 -7.628 4.050 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -1.047 -8.172 3.229 1.00 0.27 H new ATOM 941 N VAL A 459 -1.738 -3.185 0.402 1.00 0.17 N ATOM 942 CA VAL A 459 -2.485 -1.944 0.465 1.00 0.18 C ATOM 943 C VAL A 459 -3.835 -2.202 1.098 1.00 0.18 C ATOM 944 O VAL A 459 -4.580 -3.058 0.641 1.00 0.23 O ATOM 945 CB VAL A 459 -2.672 -1.323 -0.934 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.292 0.062 -0.835 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.349 -1.273 -1.686 1.00 0.20 C ATOM 0 H VAL A 459 -2.045 -3.830 -0.326 1.00 0.17 H new ATOM 0 HA VAL A 459 -1.919 -1.235 1.070 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.356 -1.958 -1.496 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.414 0.479 -1.835 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.266 -0.009 -0.351 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.642 0.711 -0.248 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.506 -0.831 -2.670 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.635 -0.668 -1.127 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -0.957 -2.284 -1.801 1.00 0.20 H new ATOM 957 N GLU A 460 -4.134 -1.481 2.158 1.00 0.18 N ATOM 958 CA GLU A 460 -5.377 -1.673 2.886 1.00 0.22 C ATOM 959 C GLU A 460 -6.274 -0.453 2.747 1.00 0.21 C ATOM 960 O GLU A 460 -5.825 0.683 2.894 1.00 0.30 O ATOM 961 CB GLU A 460 -5.097 -1.939 4.362 1.00 0.30 C ATOM 962 CG GLU A 460 -4.382 -3.255 4.635 1.00 0.36 C ATOM 963 CD GLU A 460 -3.828 -3.337 6.046 1.00 0.60 C ATOM 964 OE1 GLU A 460 -2.594 -3.207 6.219 1.00 0.79 O ATOM 965 OE2 GLU A 460 -4.626 -3.537 6.989 1.00 0.82 O ATOM 0 H GLU A 460 -3.531 -0.752 2.539 1.00 0.18 H new ATOM 0 HA GLU A 460 -5.887 -2.537 2.460 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.494 -1.122 4.759 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.041 -1.932 4.906 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.074 -4.081 4.472 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.567 -3.376 3.921 1.00 0.36 H new ATOM 972 N ALA A 461 -7.537 -0.697 2.461 1.00 0.16 N ATOM 973 CA ALA A 461 -8.508 0.369 2.327 1.00 0.15 C ATOM 974 C ALA A 461 -9.217 0.614 3.634 1.00 0.14 C ATOM 975 O ALA A 461 -9.945 -0.243 4.139 1.00 0.17 O ATOM 976 CB ALA A 461 -9.502 0.045 1.221 1.00 0.16 C ATOM 0 H ALA A 461 -7.917 -1.632 2.316 1.00 0.16 H new ATOM 0 HA ALA A 461 -7.981 1.284 2.056 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.225 0.856 1.133 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -8.970 -0.071 0.277 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.023 -0.882 1.460 1.00 0.16 H new ATOM 982 N LEU A 462 -8.980 1.789 4.180 1.00 0.16 N ATOM 983 CA LEU A 462 -9.648 2.219 5.376 1.00 0.20 C ATOM 984 C LEU A 462 -11.001 2.796 4.973 1.00 0.22 C ATOM 985 O LEU A 462 -11.092 3.937 4.525 1.00 0.24 O ATOM 986 CB LEU A 462 -8.822 3.276 6.119 1.00 0.25 C ATOM 987 CG LEU A 462 -8.893 3.150 7.645 1.00 0.34 C ATOM 988 CD1 LEU A 462 -7.956 4.111 8.335 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.303 3.374 8.131 1.00 0.78 C ATOM 0 H LEU A 462 -8.318 2.467 3.802 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.777 1.373 6.051 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -7.781 3.199 5.805 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.170 4.267 5.828 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.580 2.137 7.897 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.039 3.988 9.415 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -6.931 3.907 8.024 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.220 5.134 8.065 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.333 3.280 9.217 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -10.633 4.372 7.844 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -10.964 2.631 7.685 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.038 1.998 5.115 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.351 2.338 4.605 1.00 0.30 C ATOM 1003 C LYS A 463 -14.391 1.852 5.595 1.00 0.40 C ATOM 1004 O LYS A 463 -14.492 0.648 5.829 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.523 1.681 3.224 1.00 0.31 C ATOM 1006 CG LYS A 463 -14.882 1.861 2.539 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.231 3.312 2.248 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.269 3.833 3.218 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.586 3.165 3.045 1.00 1.62 N ATOM 0 H LYS A 463 -11.995 1.095 5.587 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.470 3.415 4.487 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.753 2.076 2.561 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.335 0.613 3.330 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -14.885 1.301 1.604 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.658 1.429 3.171 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.331 3.924 2.311 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -15.606 3.401 1.228 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -15.918 3.681 4.239 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.388 4.907 3.078 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -18.332 3.755 3.464 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.778 3.033 2.031 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.570 2.239 3.518 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.104 2.792 6.234 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.176 2.417 7.188 1.00 0.61 C ATOM 1025 C ASP A 464 -15.555 1.851 8.437 1.00 0.51 C ATOM 1026 O ASP A 464 -15.963 0.819 8.969 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.133 1.398 6.568 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.535 1.484 7.136 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.797 0.871 8.192 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.387 2.156 6.524 1.00 1.15 O ATOM 0 H ASP A 464 -14.968 3.796 6.117 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.752 3.309 7.435 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.173 1.554 5.490 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -16.742 0.394 6.731 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.546 2.567 8.869 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.745 2.240 10.037 1.00 0.49 C ATOM 1037 C GLN A 465 -13.076 0.864 9.925 1.00 0.44 C ATOM 1038 O GLN A 465 -12.482 0.377 10.886 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.597 2.308 11.305 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.372 3.608 11.439 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.236 3.654 12.684 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -17.301 4.271 12.688 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -15.782 3.015 13.749 1.00 1.39 N ATOM 0 H GLN A 465 -14.245 3.424 8.405 1.00 0.52 H new ATOM 0 HA GLN A 465 -12.949 2.983 10.093 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.298 1.473 11.309 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -13.952 2.186 12.175 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -14.671 4.443 11.458 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.003 3.741 10.560 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -14.894 2.515 13.704 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -16.320 3.022 14.616 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.179 0.238 8.761 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.635 -1.095 8.558 1.00 0.36 C ATOM 1054 C GLN A 466 -11.551 -1.088 7.504 1.00 0.28 C ATOM 1055 O GLN A 466 -11.360 -0.101 6.791 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.753 -2.053 8.155 1.00 0.54 C ATOM 1057 CG GLN A 466 -14.822 -2.171 9.207 1.00 1.20 C ATOM 1058 CD GLN A 466 -16.099 -2.792 8.682 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -16.282 -4.008 8.730 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -16.994 -1.958 8.177 1.00 2.13 N ATOM 0 H GLN A 466 -13.637 0.635 7.940 1.00 0.36 H new ATOM 0 HA GLN A 466 -12.191 -1.430 9.495 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -14.202 -1.710 7.223 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -13.329 -3.038 7.961 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -14.445 -2.772 10.035 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -15.043 -1.181 9.606 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -16.803 -0.956 8.156 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -17.875 -2.317 7.809 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.849 -2.200 7.418 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.728 -2.334 6.503 1.00 0.30 C ATOM 1071 C ARG A 467 -9.840 -3.606 5.676 1.00 0.33 C ATOM 1072 O ARG A 467 -10.017 -4.701 6.210 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.413 -2.356 7.272 1.00 0.36 C ATOM 1074 CG ARG A 467 -8.097 -1.067 8.001 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.960 -1.284 8.972 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.544 -0.057 9.638 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.295 0.190 10.022 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.323 -0.672 9.739 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.016 1.304 10.681 1.00 2.58 N ATOM 0 H ARG A 467 -11.036 -3.033 7.976 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.749 -1.474 5.833 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -8.442 -3.171 7.995 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.602 -2.575 6.577 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.830 -0.291 7.284 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.980 -0.717 8.536 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -7.263 -2.014 9.722 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -6.109 -1.709 8.439 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.252 0.654 9.820 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.534 -1.527 9.225 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.367 -0.478 10.036 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -5.758 1.971 10.893 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.059 1.496 10.977 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.734 -3.449 4.373 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.679 -4.581 3.457 1.00 0.32 C ATOM 1095 C HIS A 468 -8.440 -4.439 2.575 1.00 0.24 C ATOM 1096 O HIS A 468 -8.043 -3.313 2.285 1.00 0.27 O ATOM 1097 CB HIS A 468 -10.952 -4.639 2.601 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.112 -5.267 3.310 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -12.225 -6.626 3.513 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -13.212 -4.712 3.873 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -13.343 -6.877 4.169 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -13.957 -5.735 4.399 1.00 1.25 N ATOM 0 H HIS A 468 -9.683 -2.539 3.915 1.00 0.28 H new ATOM 0 HA HIS A 468 -9.617 -5.511 4.023 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.224 -3.628 2.297 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -10.744 -5.200 1.690 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -13.456 -3.660 3.902 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -13.695 -7.854 4.467 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.845 -5.629 4.890 1.00 1.25 H new ATOM 1111 N LYS A 469 -7.816 -5.541 2.134 1.00 0.27 N ATOM 1112 CA LYS A 469 -6.599 -5.380 1.331 1.00 0.40 C ATOM 1113 C LYS A 469 -6.984 -5.242 -0.127 1.00 0.29 C ATOM 1114 O LYS A 469 -7.835 -5.966 -0.647 1.00 0.37 O ATOM 1115 CB LYS A 469 -5.538 -6.467 1.486 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.915 -7.736 0.818 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.674 -8.547 0.508 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.978 -9.070 1.759 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.840 -10.000 2.538 1.00 0.84 N ATOM 0 H LYS A 469 -8.113 -6.501 2.307 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.120 -4.480 1.718 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -4.595 -6.110 1.072 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -5.370 -6.656 2.546 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.583 -8.310 1.460 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.460 -7.524 -0.102 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -4.946 -9.389 -0.129 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -3.976 -7.931 -0.059 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -3.059 -9.583 1.474 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -3.691 -8.229 2.391 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -4.263 -10.497 3.247 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.588 -9.460 3.018 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -5.272 -10.694 1.895 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.365 -4.286 -0.761 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.678 -3.914 -2.120 1.00 0.18 C ATOM 1135 C VAL A 470 -5.691 -4.550 -3.067 1.00 0.18 C ATOM 1136 O VAL A 470 -5.986 -4.811 -4.232 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.597 -2.395 -2.257 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.081 -1.930 -3.621 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.362 -1.734 -1.120 1.00 0.59 C ATOM 0 H VAL A 470 -5.616 -3.732 -0.345 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.684 -4.257 -2.364 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.553 -2.091 -2.185 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.009 -0.844 -3.682 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.463 -2.379 -4.399 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.119 -2.233 -3.762 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.301 -0.650 -1.222 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.406 -2.044 -1.156 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -6.927 -2.033 -0.166 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.520 -4.819 -2.532 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.412 -5.282 -3.321 1.00 0.19 C ATOM 1151 C ARG A 471 -2.312 -5.803 -2.417 1.00 0.18 C ATOM 1152 O ARG A 471 -2.034 -5.220 -1.372 1.00 0.22 O ATOM 1153 CB ARG A 471 -2.895 -4.148 -4.206 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.625 -4.504 -4.944 1.00 0.77 C ATOM 1155 CD ARG A 471 -1.630 -3.949 -6.349 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.411 -4.318 -7.072 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.211 -4.107 -8.372 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -1.152 -3.540 -9.113 1.00 1.39 N ATOM 1159 NH2 ARG A 471 0.932 -4.479 -8.934 1.00 2.13 N ATOM 0 H ARG A 471 -4.315 -4.721 -1.538 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.744 -6.098 -3.963 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.665 -3.879 -4.929 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.715 -3.267 -3.590 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.765 -4.114 -4.400 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.515 -5.588 -4.980 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.501 -4.323 -6.887 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -1.719 -2.863 -6.313 1.00 0.52 H new ATOM 0 HE ARG A 471 0.337 -4.768 -6.544 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -2.037 -3.262 -8.689 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.991 -3.382 -10.108 1.00 1.39 H new ATOM 0 HH21 ARG A 471 1.656 -4.926 -8.371 1.00 2.13 H new ATOM 0 HH22 ARG A 471 1.087 -4.318 -9.929 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.717 -6.908 -2.813 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.597 -7.478 -2.091 1.00 0.18 C ATOM 1175 C GLU A 472 0.454 -7.950 -3.072 1.00 0.18 C ATOM 1176 O GLU A 472 0.139 -8.657 -4.032 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.041 -8.641 -1.202 1.00 0.21 C ATOM 1178 CG GLU A 472 0.090 -9.606 -0.881 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.223 -10.522 0.290 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.712 -10.875 1.041 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.408 -10.872 0.476 1.00 0.65 O ATOM 0 H GLU A 472 -1.994 -7.436 -3.641 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.177 -6.705 -1.447 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.449 -8.245 -0.272 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -1.846 -9.184 -1.698 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.304 -10.212 -1.762 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.993 -9.037 -0.659 1.00 0.21 H new ATOM 1188 N GLU A 473 1.691 -7.555 -2.844 1.00 0.16 N ATOM 1189 CA GLU A 473 2.759 -7.918 -3.745 1.00 0.17 C ATOM 1190 C GLU A 473 4.107 -7.794 -3.089 1.00 0.20 C ATOM 1191 O GLU A 473 4.396 -6.813 -2.411 1.00 0.26 O ATOM 1192 CB GLU A 473 2.683 -7.042 -5.001 1.00 0.23 C ATOM 1193 CG GLU A 473 3.803 -7.256 -6.000 1.00 0.27 C ATOM 1194 CD GLU A 473 3.791 -6.216 -7.100 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.824 -5.543 -7.301 1.00 2.26 O ATOM 1196 OE2 GLU A 473 2.750 -6.061 -7.770 1.00 1.25 O ATOM 0 H GLU A 473 1.977 -6.986 -2.047 1.00 0.16 H new ATOM 0 HA GLU A 473 2.636 -8.965 -4.024 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.732 -7.229 -5.499 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.683 -5.995 -4.696 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.761 -7.224 -5.482 1.00 0.27 H new ATOM 0 HG3 GLU A 473 3.711 -8.249 -6.440 1.00 0.27 H new ATOM 1203 N VAL A 474 4.937 -8.798 -3.304 1.00 0.24 N ATOM 1204 CA VAL A 474 6.245 -8.795 -2.719 1.00 0.28 C ATOM 1205 C VAL A 474 7.239 -8.170 -3.681 1.00 0.21 C ATOM 1206 O VAL A 474 7.339 -8.576 -4.838 1.00 0.28 O ATOM 1207 CB VAL A 474 6.744 -10.200 -2.340 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.903 -10.110 -1.361 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.623 -11.053 -1.773 1.00 1.22 C ATOM 0 H VAL A 474 4.722 -9.615 -3.876 1.00 0.24 H new ATOM 0 HA VAL A 474 6.168 -8.213 -1.800 1.00 0.28 H new ATOM 0 HB VAL A 474 7.098 -10.685 -3.250 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.242 -11.114 -1.105 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.723 -9.556 -1.818 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.577 -9.596 -0.457 1.00 0.80 H new ATOM 0 HG21 VAL A 474 6.010 -12.039 -1.516 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.220 -10.577 -0.879 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.833 -11.156 -2.517 1.00 1.22 H new ATOM 1219 N VAL A 475 7.961 -7.176 -3.209 1.00 0.19 N ATOM 1220 CA VAL A 475 8.928 -6.479 -4.036 1.00 0.19 C ATOM 1221 C VAL A 475 10.218 -6.231 -3.308 1.00 0.19 C ATOM 1222 O VAL A 475 10.269 -5.601 -2.252 1.00 0.26 O ATOM 1223 CB VAL A 475 8.404 -5.128 -4.561 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.305 -5.157 -6.077 1.00 0.41 C ATOM 1225 CG2 VAL A 475 7.055 -4.778 -3.949 1.00 0.32 C ATOM 0 H VAL A 475 7.897 -6.830 -2.252 1.00 0.19 H new ATOM 0 HA VAL A 475 9.103 -7.144 -4.882 1.00 0.19 H new ATOM 0 HB VAL A 475 9.114 -4.355 -4.265 1.00 0.22 H new ATOM 0 HG11 VAL A 475 7.934 -4.197 -6.436 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.290 -5.347 -6.502 1.00 0.41 H new ATOM 0 HG13 VAL A 475 7.620 -5.948 -6.382 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.715 -3.819 -4.341 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.329 -5.551 -4.201 1.00 0.32 H new ATOM 0 HG23 VAL A 475 7.153 -4.712 -2.865 1.00 0.32 H new ATOM 1235 N THR A 476 11.245 -6.776 -3.891 1.00 0.24 N ATOM 1236 CA THR A 476 12.594 -6.440 -3.558 1.00 0.24 C ATOM 1237 C THR A 476 12.928 -5.096 -4.169 1.00 0.26 C ATOM 1238 O THR A 476 12.855 -4.909 -5.385 1.00 0.33 O ATOM 1239 CB THR A 476 13.521 -7.507 -4.118 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.291 -8.748 -3.445 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.987 -7.098 -3.998 1.00 0.38 C ATOM 0 H THR A 476 11.165 -7.480 -4.625 1.00 0.24 H new ATOM 0 HA THR A 476 12.716 -6.387 -2.476 1.00 0.24 H new ATOM 0 HB THR A 476 13.302 -7.625 -5.179 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.889 -9.434 -3.810 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.619 -7.885 -4.409 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.153 -6.174 -4.551 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.237 -6.943 -2.948 1.00 0.38 H new ATOM 1249 N VAL A 477 13.273 -4.168 -3.319 1.00 0.25 N ATOM 1250 CA VAL A 477 13.509 -2.810 -3.737 1.00 0.29 C ATOM 1251 C VAL A 477 14.945 -2.637 -4.184 1.00 0.33 C ATOM 1252 O VAL A 477 15.872 -2.930 -3.439 1.00 0.37 O ATOM 1253 CB VAL A 477 13.171 -1.860 -2.586 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.607 -0.436 -2.890 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.683 -1.913 -2.314 1.00 0.31 C ATOM 0 H VAL A 477 13.399 -4.329 -2.320 1.00 0.25 H new ATOM 0 HA VAL A 477 12.868 -2.574 -4.586 1.00 0.29 H new ATOM 0 HB VAL A 477 13.717 -2.183 -1.699 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.351 0.210 -2.050 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.685 -0.412 -3.051 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.099 -0.084 -3.787 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.439 -1.237 -1.494 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.139 -1.610 -3.208 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.399 -2.930 -2.043 1.00 0.31 H new