USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 761 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 Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 596 SER OG : rot -140:sc= -0.757 USER MOD Single : A 598 SER OG : rot 180:sc= 0.00311 USER MOD Single : A 604 SER OG : rot 180:sc= -0.51 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -0.637 K(o=-0.64,f=0) USER MOD Single : A 610 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 622 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.127!) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 626 ASN : amide:sc= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : A 631 SER OG : rot 175:sc= 0.892 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.61) USER MOD Single : A 641 GLN : amide:sc= -0.373 K(o=-0.37,f=0.24) USER MOD Single : A 646 ASN : amide:sc= -3.63 K(o=-3.6,f=-7.2!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.09) USER MOD Single : A 655 ASN : amide:sc= -2 K(o=-2,f=-4!) USER MOD Single : A 656 GLN : amide:sc= -4.26! K(o=-4.3!,f=-0.96) USER MOD Single : A 659 MET CE :methyl -132:sc= -3.93! (180deg=-4.63!) USER MOD Single : A 661 THR OG1 : rot 79:sc= 0.394 USER MOD Single : A 665 SER OG : rot 80:sc= 0.0535 USER MOD Single : A 666 MET CE :methyl -105:sc= -1.72 (180deg=-4.73!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 83:sc= 0.0929 USER MOD Single : A 671 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.7!) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl 161:sc= 0 (180deg=-0.39) USER MOD Single : A 677 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -15.043 -4.428 0.063 1.00 11.12 N ATOM 79 CA GLU A 585 -15.049 -3.343 -0.860 1.00 4.43 C ATOM 80 C GLU A 585 -13.706 -2.613 -0.784 1.00 42.44 C ATOM 81 O GLU A 585 -13.146 -2.418 0.311 1.00 15.20 O ATOM 82 CB GLU A 585 -16.223 -2.374 -0.562 1.00 41.51 C ATOM 83 CG GLU A 585 -16.153 -1.666 0.798 1.00 1.11 C ATOM 84 CD GLU A 585 -17.328 -0.741 1.054 1.00 44.12 C ATOM 85 OE1 GLU A 585 -17.730 0.005 0.134 1.00 31.11 O ATOM 86 OE2 GLU A 585 -17.889 -0.756 2.178 1.00 43.32 O ATOM 0 HA GLU A 585 -15.191 -3.729 -1.870 1.00 4.43 H new ATOM 0 HB2 GLU A 585 -16.258 -1.618 -1.346 1.00 41.51 H new ATOM 0 HB3 GLU A 585 -17.157 -2.933 -0.616 1.00 41.51 H new ATOM 0 HG2 GLU A 585 -16.111 -2.416 1.588 1.00 1.11 H new ATOM 0 HG3 GLU A 585 -15.228 -1.092 0.854 1.00 1.11 H new ATOM 93 N PHE A 586 -13.167 -2.266 -1.922 1.00 62.40 N ATOM 94 CA PHE A 586 -11.957 -1.493 -1.974 1.00 23.15 C ATOM 95 C PHE A 586 -12.302 -0.050 -2.058 1.00 12.33 C ATOM 96 O PHE A 586 -13.011 0.369 -2.964 1.00 70.03 O ATOM 97 CB PHE A 586 -11.071 -1.900 -3.150 1.00 11.32 C ATOM 98 CG PHE A 586 -10.381 -3.188 -2.907 1.00 72.41 C ATOM 99 CD1 PHE A 586 -11.071 -4.378 -2.963 1.00 63.24 C ATOM 100 CD2 PHE A 586 -9.037 -3.207 -2.581 1.00 70.03 C ATOM 101 CE1 PHE A 586 -10.444 -5.564 -2.706 1.00 42.10 C ATOM 102 CE2 PHE A 586 -8.405 -4.397 -2.319 1.00 75.33 C ATOM 103 CZ PHE A 586 -9.105 -5.579 -2.382 1.00 71.31 C ATOM 0 H PHE A 586 -13.552 -2.510 -2.834 1.00 62.40 H new ATOM 0 HA PHE A 586 -11.388 -1.685 -1.064 1.00 23.15 H new ATOM 0 HB2 PHE A 586 -11.679 -1.979 -4.051 1.00 11.32 H new ATOM 0 HB3 PHE A 586 -10.331 -1.121 -3.332 1.00 11.32 H new ATOM 0 HD1 PHE A 586 -12.122 -4.374 -3.213 1.00 63.24 H new ATOM 0 HD2 PHE A 586 -8.482 -2.282 -2.532 1.00 70.03 H new ATOM 0 HE1 PHE A 586 -10.998 -6.490 -2.757 1.00 42.10 H new ATOM 0 HE2 PHE A 586 -7.356 -4.405 -2.063 1.00 75.33 H new ATOM 0 HZ PHE A 586 -8.607 -6.515 -2.178 1.00 71.31 H new ATOM 113 N LEU A 587 -11.830 0.705 -1.132 1.00 45.33 N ATOM 114 CA LEU A 587 -12.132 2.095 -1.088 1.00 2.51 C ATOM 115 C LEU A 587 -10.916 2.900 -1.365 1.00 61.34 C ATOM 116 O LEU A 587 -9.854 2.667 -0.783 1.00 32.24 O ATOM 117 CB LEU A 587 -12.730 2.463 0.261 1.00 24.10 C ATOM 118 CG LEU A 587 -14.071 1.816 0.564 1.00 52.21 C ATOM 119 CD1 LEU A 587 -14.488 2.081 1.989 1.00 65.21 C ATOM 120 CD2 LEU A 587 -15.131 2.336 -0.387 1.00 4.22 C ATOM 0 H LEU A 587 -11.222 0.378 -0.381 1.00 45.33 H new ATOM 0 HA LEU A 587 -12.868 2.317 -1.860 1.00 2.51 H new ATOM 0 HB2 LEU A 587 -12.024 2.185 1.043 1.00 24.10 H new ATOM 0 HB3 LEU A 587 -12.847 3.546 0.307 1.00 24.10 H new ATOM 0 HG LEU A 587 -13.965 0.740 0.429 1.00 52.21 H new ATOM 0 HD11 LEU A 587 -15.451 1.607 2.180 1.00 65.21 H new ATOM 0 HD12 LEU A 587 -13.741 1.672 2.669 1.00 65.21 H new ATOM 0 HD13 LEU A 587 -14.574 3.156 2.149 1.00 65.21 H new ATOM 0 HD21 LEU A 587 -16.087 1.865 -0.159 1.00 4.22 H new ATOM 0 HD22 LEU A 587 -15.223 3.416 -0.274 1.00 4.22 H new ATOM 0 HD23 LEU A 587 -14.846 2.102 -1.413 1.00 4.22 H new ATOM 132 N THR A 588 -11.065 3.824 -2.240 1.00 2.33 N ATOM 133 CA THR A 588 -9.999 4.693 -2.597 1.00 51.52 C ATOM 134 C THR A 588 -10.260 6.060 -2.010 1.00 73.41 C ATOM 135 O THR A 588 -11.308 6.663 -2.262 1.00 41.54 O ATOM 136 CB THR A 588 -9.896 4.815 -4.121 1.00 3.13 C ATOM 137 OG1 THR A 588 -9.762 3.505 -4.692 1.00 40.43 O ATOM 138 CG2 THR A 588 -8.691 5.660 -4.514 1.00 61.11 C ATOM 0 H THR A 588 -11.938 4.003 -2.736 1.00 2.33 H new ATOM 0 HA THR A 588 -9.065 4.286 -2.210 1.00 51.52 H new ATOM 0 HB THR A 588 -10.799 5.298 -4.495 1.00 3.13 H new ATOM 0 HG1 THR A 588 -9.698 3.578 -5.667 1.00 40.43 H new ATOM 0 HG21 THR A 588 -8.637 5.734 -5.600 1.00 61.11 H new ATOM 0 HG22 THR A 588 -8.792 6.658 -4.087 1.00 61.11 H new ATOM 0 HG23 THR A 588 -7.781 5.194 -4.136 1.00 61.11 H new ATOM 146 N PHE A 589 -9.353 6.529 -1.221 1.00 42.43 N ATOM 147 CA PHE A 589 -9.475 7.833 -0.649 1.00 45.43 C ATOM 148 C PHE A 589 -8.306 8.684 -1.023 1.00 43.24 C ATOM 149 O PHE A 589 -7.168 8.321 -0.763 1.00 1.24 O ATOM 150 CB PHE A 589 -9.609 7.767 0.871 1.00 63.44 C ATOM 151 CG PHE A 589 -10.855 7.083 1.294 1.00 32.23 C ATOM 152 CD1 PHE A 589 -12.070 7.553 0.862 1.00 1.12 C ATOM 153 CD2 PHE A 589 -10.819 5.966 2.094 1.00 1.22 C ATOM 154 CE1 PHE A 589 -13.226 6.938 1.216 1.00 52.04 C ATOM 155 CE2 PHE A 589 -11.981 5.331 2.462 1.00 52.33 C ATOM 156 CZ PHE A 589 -13.195 5.817 2.022 1.00 51.24 C ATOM 0 H PHE A 589 -8.508 6.024 -0.953 1.00 42.43 H new ATOM 0 HA PHE A 589 -10.384 8.282 -1.050 1.00 45.43 H new ATOM 0 HB2 PHE A 589 -8.749 7.242 1.287 1.00 63.44 H new ATOM 0 HB3 PHE A 589 -9.594 8.777 1.280 1.00 63.44 H new ATOM 0 HD1 PHE A 589 -12.106 8.428 0.229 1.00 1.12 H new ATOM 0 HD2 PHE A 589 -9.869 5.584 2.437 1.00 1.22 H new ATOM 0 HE1 PHE A 589 -14.172 7.325 0.867 1.00 52.04 H new ATOM 0 HE2 PHE A 589 -11.944 4.455 3.093 1.00 52.33 H new ATOM 0 HZ PHE A 589 -14.114 5.325 2.306 1.00 51.24 H new ATOM 166 N GLU A 590 -8.566 9.780 -1.664 1.00 14.41 N ATOM 167 CA GLU A 590 -7.528 10.711 -1.981 1.00 2.54 C ATOM 168 C GLU A 590 -7.604 11.860 -1.017 1.00 42.52 C ATOM 169 O GLU A 590 -8.571 12.641 -0.996 1.00 72.02 O ATOM 170 CB GLU A 590 -7.548 11.149 -3.440 1.00 74.04 C ATOM 171 CG GLU A 590 -7.331 9.979 -4.402 1.00 51.25 C ATOM 172 CD GLU A 590 -7.223 10.384 -5.851 1.00 55.25 C ATOM 173 OE1 GLU A 590 -6.112 10.729 -6.299 1.00 20.22 O ATOM 174 OE2 GLU A 590 -8.234 10.327 -6.574 1.00 63.35 O ATOM 0 H GLU A 590 -9.496 10.054 -1.981 1.00 14.41 H new ATOM 0 HA GLU A 590 -6.562 10.220 -1.866 1.00 2.54 H new ATOM 0 HB2 GLU A 590 -8.503 11.625 -3.661 1.00 74.04 H new ATOM 0 HB3 GLU A 590 -6.773 11.898 -3.602 1.00 74.04 H new ATOM 0 HG2 GLU A 590 -6.422 9.451 -4.115 1.00 51.25 H new ATOM 0 HG3 GLU A 590 -8.156 9.275 -4.293 1.00 51.25 H new ATOM 181 N VAL A 591 -6.614 11.921 -0.211 1.00 31.03 N ATOM 182 CA VAL A 591 -6.523 12.828 0.897 1.00 43.52 C ATOM 183 C VAL A 591 -5.506 13.900 0.601 1.00 22.43 C ATOM 184 O VAL A 591 -4.350 13.600 0.385 1.00 34.02 O ATOM 185 CB VAL A 591 -6.069 12.057 2.168 1.00 64.02 C ATOM 186 CG1 VAL A 591 -5.951 12.984 3.374 1.00 41.12 C ATOM 187 CG2 VAL A 591 -7.038 10.930 2.469 1.00 25.10 C ATOM 0 H VAL A 591 -5.798 11.315 -0.299 1.00 31.03 H new ATOM 0 HA VAL A 591 -7.502 13.279 1.060 1.00 43.52 H new ATOM 0 HB VAL A 591 -5.082 11.640 1.970 1.00 64.02 H new ATOM 0 HG11 VAL A 591 -5.632 12.410 4.244 1.00 41.12 H new ATOM 0 HG12 VAL A 591 -5.218 13.763 3.164 1.00 41.12 H new ATOM 0 HG13 VAL A 591 -6.919 13.442 3.577 1.00 41.12 H new ATOM 0 HG21 VAL A 591 -6.710 10.397 3.361 1.00 25.10 H new ATOM 0 HG22 VAL A 591 -8.033 11.341 2.637 1.00 25.10 H new ATOM 0 HG23 VAL A 591 -7.068 10.241 1.625 1.00 25.10 H new ATOM 197 N PRO A 592 -5.904 15.148 0.567 1.00 61.31 N ATOM 198 CA PRO A 592 -4.974 16.233 0.353 1.00 42.10 C ATOM 199 C PRO A 592 -4.129 16.476 1.603 1.00 45.20 C ATOM 200 O PRO A 592 -4.591 16.237 2.739 1.00 74.41 O ATOM 201 CB PRO A 592 -5.888 17.426 0.082 1.00 25.12 C ATOM 202 CG PRO A 592 -7.126 17.111 0.828 1.00 60.12 C ATOM 203 CD PRO A 592 -7.293 15.624 0.735 1.00 24.33 C ATOM 0 HA PRO A 592 -4.268 16.039 -0.455 1.00 42.10 H new ATOM 0 HB2 PRO A 592 -5.440 18.358 0.428 1.00 25.12 H new ATOM 0 HB3 PRO A 592 -6.084 17.544 -0.984 1.00 25.12 H new ATOM 0 HG2 PRO A 592 -7.048 17.431 1.867 1.00 60.12 H new ATOM 0 HG3 PRO A 592 -7.984 17.628 0.398 1.00 60.12 H new ATOM 0 HD2 PRO A 592 -7.756 15.212 1.632 1.00 24.33 H new ATOM 0 HD3 PRO A 592 -7.923 15.340 -0.108 1.00 24.33 H new ATOM 211 N LEU A 593 -2.901 16.909 1.417 1.00 5.02 N ATOM 212 CA LEU A 593 -2.054 17.274 2.544 1.00 30.43 C ATOM 213 C LEU A 593 -2.472 18.632 3.053 1.00 74.44 C ATOM 214 O LEU A 593 -1.830 19.645 2.797 1.00 0.33 O ATOM 215 CB LEU A 593 -0.532 17.228 2.223 1.00 3.35 C ATOM 216 CG LEU A 593 0.158 15.839 2.141 1.00 53.42 C ATOM 217 CD1 LEU A 593 0.121 15.133 3.491 1.00 14.32 C ATOM 218 CD2 LEU A 593 -0.450 14.957 1.054 1.00 2.15 C ATOM 0 H LEU A 593 -2.463 17.018 0.502 1.00 5.02 H new ATOM 0 HA LEU A 593 -2.199 16.524 3.322 1.00 30.43 H new ATOM 0 HB2 LEU A 593 -0.377 17.734 1.270 1.00 3.35 H new ATOM 0 HB3 LEU A 593 -0.013 17.813 2.982 1.00 3.35 H new ATOM 0 HG LEU A 593 1.199 16.015 1.869 1.00 53.42 H new ATOM 0 HD11 LEU A 593 0.610 14.163 3.408 1.00 14.32 H new ATOM 0 HD12 LEU A 593 0.641 15.739 4.233 1.00 14.32 H new ATOM 0 HD13 LEU A 593 -0.915 14.992 3.799 1.00 14.32 H new ATOM 0 HD21 LEU A 593 0.065 13.996 1.035 1.00 2.15 H new ATOM 0 HD22 LEU A 593 -1.508 14.798 1.264 1.00 2.15 H new ATOM 0 HD23 LEU A 593 -0.342 15.446 0.086 1.00 2.15 H new ATOM 230 N ASN A 594 -3.596 18.644 3.711 1.00 31.32 N ATOM 231 CA ASN A 594 -4.194 19.886 4.174 1.00 65.43 C ATOM 232 C ASN A 594 -3.935 20.088 5.659 1.00 15.42 C ATOM 233 O ASN A 594 -3.426 21.127 6.080 1.00 23.22 O ATOM 234 CB ASN A 594 -5.700 19.889 3.888 1.00 5.43 C ATOM 235 CG ASN A 594 -6.344 21.229 4.170 1.00 13.34 C ATOM 236 OD1 ASN A 594 -5.713 22.281 4.017 1.00 11.21 O ATOM 237 ND2 ASN A 594 -7.580 21.210 4.584 1.00 2.31 N ATOM 0 H ASN A 594 -4.128 17.806 3.946 1.00 31.32 H new ATOM 0 HA ASN A 594 -3.733 20.712 3.632 1.00 65.43 H new ATOM 0 HB2 ASN A 594 -5.868 19.622 2.845 1.00 5.43 H new ATOM 0 HB3 ASN A 594 -6.183 19.123 4.495 1.00 5.43 H new ATOM 0 HD21 ASN A 594 -8.061 22.085 4.794 1.00 2.31 H new ATOM 0 HD22 ASN A 594 -8.066 20.321 4.697 1.00 2.31 H new ATOM 244 N ASP A 595 -4.258 19.079 6.446 1.00 0.43 N ATOM 245 CA ASP A 595 -4.036 19.098 7.905 1.00 3.33 C ATOM 246 C ASP A 595 -2.698 18.508 8.212 1.00 2.22 C ATOM 247 O ASP A 595 -2.399 18.142 9.351 1.00 62.21 O ATOM 248 CB ASP A 595 -5.122 18.315 8.654 1.00 74.40 C ATOM 249 CG ASP A 595 -6.481 18.942 8.559 1.00 11.13 C ATOM 250 OD1 ASP A 595 -6.817 19.793 9.416 1.00 44.21 O ATOM 251 OD2 ASP A 595 -7.229 18.610 7.639 1.00 52.45 O ATOM 0 H ASP A 595 -4.683 18.216 6.105 1.00 0.43 H new ATOM 0 HA ASP A 595 -4.078 20.135 8.238 1.00 3.33 H new ATOM 0 HB2 ASP A 595 -5.169 17.302 8.255 1.00 74.40 H new ATOM 0 HB3 ASP A 595 -4.841 18.232 9.704 1.00 74.40 H new ATOM 256 N SER A 596 -1.886 18.438 7.200 1.00 44.13 N ATOM 257 CA SER A 596 -0.591 17.914 7.313 1.00 31.45 C ATOM 258 C SER A 596 0.294 18.872 8.029 1.00 75.15 C ATOM 259 O SER A 596 0.537 19.999 7.588 1.00 14.45 O ATOM 260 CB SER A 596 -0.030 17.564 5.962 1.00 12.21 C ATOM 261 OG SER A 596 1.272 17.010 6.055 1.00 12.15 O ATOM 0 H SER A 596 -2.126 18.755 6.261 1.00 44.13 H new ATOM 0 HA SER A 596 -0.642 16.994 7.896 1.00 31.45 H new ATOM 0 HB2 SER A 596 -0.692 16.853 5.468 1.00 12.21 H new ATOM 0 HB3 SER A 596 -0.000 18.458 5.339 1.00 12.21 H new ATOM 0 HG SER A 596 1.829 17.359 5.328 1.00 12.15 H new ATOM 267 N GLY A 597 0.729 18.423 9.116 1.00 35.43 N ATOM 268 CA GLY A 597 1.609 19.146 9.943 1.00 52.44 C ATOM 269 C GLY A 597 1.893 18.361 11.186 1.00 12.35 C ATOM 270 O GLY A 597 3.035 17.998 11.453 1.00 22.31 O ATOM 0 H GLY A 597 0.480 17.504 9.483 1.00 35.43 H new ATOM 0 HA2 GLY A 597 2.538 19.351 9.411 1.00 52.44 H new ATOM 0 HA3 GLY A 597 1.171 20.110 10.202 1.00 52.44 H new ATOM 274 N SER A 598 0.850 18.072 11.940 1.00 13.04 N ATOM 275 CA SER A 598 0.970 17.228 13.110 1.00 1.45 C ATOM 276 C SER A 598 1.056 15.780 12.679 1.00 4.41 C ATOM 277 O SER A 598 1.719 14.942 13.315 1.00 24.43 O ATOM 278 CB SER A 598 -0.195 17.472 14.059 1.00 1.21 C ATOM 279 OG SER A 598 -1.437 17.367 13.369 1.00 25.04 O ATOM 0 H SER A 598 -0.095 18.412 11.761 1.00 13.04 H new ATOM 0 HA SER A 598 1.883 17.474 13.652 1.00 1.45 H new ATOM 0 HB2 SER A 598 -0.164 16.749 14.874 1.00 1.21 H new ATOM 0 HB3 SER A 598 -0.105 18.462 14.507 1.00 1.21 H new ATOM 0 HG SER A 598 -2.174 17.525 13.996 1.00 25.04 H new ATOM 285 N ALA A 599 0.420 15.523 11.590 1.00 64.45 N ATOM 286 CA ALA A 599 0.392 14.282 10.938 1.00 44.42 C ATOM 287 C ALA A 599 0.160 14.630 9.506 1.00 54.43 C ATOM 288 O ALA A 599 -0.124 15.784 9.219 1.00 44.10 O ATOM 289 CB ALA A 599 -0.739 13.420 11.484 1.00 23.21 C ATOM 0 H ALA A 599 -0.130 16.232 11.106 1.00 64.45 H new ATOM 0 HA ALA A 599 1.307 13.706 11.080 1.00 44.42 H new ATOM 0 HB1 ALA A 599 -0.747 12.460 10.967 1.00 23.21 H new ATOM 0 HB2 ALA A 599 -0.589 13.256 12.551 1.00 23.21 H new ATOM 0 HB3 ALA A 599 -1.691 13.926 11.325 1.00 23.21 H new ATOM 295 N GLY A 600 0.278 13.705 8.643 1.00 41.20 N ATOM 296 CA GLY A 600 0.083 13.977 7.242 1.00 14.21 C ATOM 297 C GLY A 600 -1.354 13.804 6.869 1.00 62.34 C ATOM 298 O GLY A 600 -1.979 14.691 6.273 1.00 21.30 O ATOM 0 H GLY A 600 0.510 12.737 8.864 1.00 41.20 H new ATOM 0 HA2 GLY A 600 0.404 14.994 7.015 1.00 14.21 H new ATOM 0 HA3 GLY A 600 0.703 13.307 6.646 1.00 14.21 H new ATOM 302 N LEU A 601 -1.885 12.673 7.222 1.00 55.50 N ATOM 303 CA LEU A 601 -3.265 12.361 6.974 1.00 54.33 C ATOM 304 C LEU A 601 -4.006 12.429 8.262 1.00 31.42 C ATOM 305 O LEU A 601 -5.170 12.844 8.310 1.00 44.34 O ATOM 306 CB LEU A 601 -3.433 10.956 6.379 1.00 73.41 C ATOM 307 CG LEU A 601 -2.904 10.710 4.960 1.00 42.15 C ATOM 308 CD1 LEU A 601 -1.403 10.817 4.884 1.00 43.45 C ATOM 309 CD2 LEU A 601 -3.356 9.368 4.470 1.00 72.51 C ATOM 0 H LEU A 601 -1.369 11.931 7.695 1.00 55.50 H new ATOM 0 HA LEU A 601 -3.655 13.082 6.255 1.00 54.33 H new ATOM 0 HB2 LEU A 601 -2.941 10.249 7.047 1.00 73.41 H new ATOM 0 HB3 LEU A 601 -4.496 10.714 6.386 1.00 73.41 H new ATOM 0 HG LEU A 601 -3.314 11.489 4.318 1.00 42.15 H new ATOM 0 HD11 LEU A 601 -1.077 10.635 3.860 1.00 43.45 H new ATOM 0 HD12 LEU A 601 -1.093 11.816 5.191 1.00 43.45 H new ATOM 0 HD13 LEU A 601 -0.952 10.078 5.546 1.00 43.45 H new ATOM 0 HD21 LEU A 601 -2.976 9.202 3.462 1.00 72.51 H new ATOM 0 HD22 LEU A 601 -2.976 8.591 5.134 1.00 72.51 H new ATOM 0 HD23 LEU A 601 -4.445 9.333 4.457 1.00 72.51 H new ATOM 321 N GLY A 602 -3.327 12.004 9.302 1.00 65.31 N ATOM 322 CA GLY A 602 -3.863 11.995 10.593 1.00 65.33 C ATOM 323 C GLY A 602 -4.539 10.699 10.851 1.00 61.33 C ATOM 324 O GLY A 602 -5.687 10.648 11.267 1.00 60.41 O ATOM 0 H GLY A 602 -2.371 11.653 9.246 1.00 65.31 H new ATOM 0 HA2 GLY A 602 -3.072 12.154 11.326 1.00 65.33 H new ATOM 0 HA3 GLY A 602 -4.573 12.814 10.707 1.00 65.33 H new ATOM 328 N VAL A 603 -3.847 9.629 10.555 1.00 14.00 N ATOM 329 CA VAL A 603 -4.343 8.325 10.854 1.00 61.22 C ATOM 330 C VAL A 603 -3.201 7.551 11.467 1.00 20.12 C ATOM 331 O VAL A 603 -2.036 7.837 11.193 1.00 44.21 O ATOM 332 CB VAL A 603 -4.801 7.564 9.566 1.00 33.03 C ATOM 333 CG1 VAL A 603 -5.582 6.314 9.908 1.00 21.14 C ATOM 334 CG2 VAL A 603 -5.573 8.452 8.613 1.00 22.31 C ATOM 0 H VAL A 603 -2.932 9.644 10.104 1.00 14.00 H new ATOM 0 HA VAL A 603 -5.203 8.415 11.518 1.00 61.22 H new ATOM 0 HB VAL A 603 -3.893 7.258 9.046 1.00 33.03 H new ATOM 0 HG11 VAL A 603 -5.884 5.811 8.989 1.00 21.14 H new ATOM 0 HG12 VAL A 603 -4.957 5.645 10.500 1.00 21.14 H new ATOM 0 HG13 VAL A 603 -6.468 6.584 10.482 1.00 21.14 H new ATOM 0 HG21 VAL A 603 -5.867 7.875 7.736 1.00 22.31 H new ATOM 0 HG22 VAL A 603 -6.464 8.834 9.112 1.00 22.31 H new ATOM 0 HG23 VAL A 603 -4.944 9.287 8.304 1.00 22.31 H new ATOM 344 N SER A 604 -3.506 6.607 12.285 1.00 31.12 N ATOM 345 CA SER A 604 -2.511 5.759 12.812 1.00 33.03 C ATOM 346 C SER A 604 -2.733 4.389 12.272 1.00 51.54 C ATOM 347 O SER A 604 -3.872 3.896 12.256 1.00 71.42 O ATOM 348 CB SER A 604 -2.565 5.727 14.327 1.00 45.01 C ATOM 349 OG SER A 604 -2.420 7.028 14.858 1.00 3.44 O ATOM 0 H SER A 604 -4.453 6.405 12.604 1.00 31.12 H new ATOM 0 HA SER A 604 -1.529 6.133 12.522 1.00 33.03 H new ATOM 0 HB2 SER A 604 -3.513 5.299 14.653 1.00 45.01 H new ATOM 0 HB3 SER A 604 -1.775 5.082 14.711 1.00 45.01 H new ATOM 0 HG SER A 604 -2.459 6.988 15.836 1.00 3.44 H new ATOM 355 N VAL A 605 -1.698 3.784 11.839 1.00 13.50 N ATOM 356 CA VAL A 605 -1.751 2.455 11.355 1.00 25.04 C ATOM 357 C VAL A 605 -0.784 1.571 12.074 1.00 11.30 C ATOM 358 O VAL A 605 0.091 2.040 12.786 1.00 43.25 O ATOM 359 CB VAL A 605 -1.487 2.329 9.857 1.00 71.34 C ATOM 360 CG1 VAL A 605 -2.715 2.666 9.036 1.00 3.41 C ATOM 361 CG2 VAL A 605 -0.319 3.195 9.401 1.00 64.04 C ATOM 0 H VAL A 605 -0.769 4.203 11.808 1.00 13.50 H new ATOM 0 HA VAL A 605 -2.777 2.138 11.544 1.00 25.04 H new ATOM 0 HB VAL A 605 -1.227 1.284 9.689 1.00 71.34 H new ATOM 0 HG11 VAL A 605 -2.483 2.564 7.976 1.00 3.41 H new ATOM 0 HG12 VAL A 605 -3.526 1.986 9.298 1.00 3.41 H new ATOM 0 HG13 VAL A 605 -3.021 3.691 9.243 1.00 3.41 H new ATOM 0 HG21 VAL A 605 -0.171 3.071 8.328 1.00 64.04 H new ATOM 0 HG22 VAL A 605 -0.535 4.241 9.619 1.00 64.04 H new ATOM 0 HG23 VAL A 605 0.585 2.894 9.929 1.00 64.04 H new ATOM 371 N LYS A 606 -0.986 0.314 11.932 1.00 42.23 N ATOM 372 CA LYS A 606 -0.111 -0.687 12.463 1.00 22.04 C ATOM 373 C LYS A 606 -0.165 -1.903 11.594 1.00 0.23 C ATOM 374 O LYS A 606 -1.167 -2.150 10.938 1.00 21.00 O ATOM 375 CB LYS A 606 -0.390 -1.037 13.925 1.00 33.15 C ATOM 376 CG LYS A 606 -1.737 -1.645 14.215 1.00 43.32 C ATOM 377 CD LYS A 606 -1.812 -1.987 15.681 1.00 32.22 C ATOM 378 CE LYS A 606 -3.154 -2.570 16.073 1.00 60.12 C ATOM 379 NZ LYS A 606 -3.207 -2.868 17.524 1.00 21.41 N ATOM 0 H LYS A 606 -1.787 -0.068 11.429 1.00 42.23 H new ATOM 0 HA LYS A 606 0.896 -0.271 12.458 1.00 22.04 H new ATOM 0 HB2 LYS A 606 0.380 -1.730 14.265 1.00 33.15 H new ATOM 0 HB3 LYS A 606 -0.288 -0.130 14.521 1.00 33.15 H new ATOM 0 HG2 LYS A 606 -2.531 -0.947 13.950 1.00 43.32 H new ATOM 0 HG3 LYS A 606 -1.885 -2.540 13.611 1.00 43.32 H new ATOM 0 HD2 LYS A 606 -1.025 -2.700 15.925 1.00 32.22 H new ATOM 0 HD3 LYS A 606 -1.623 -1.090 16.270 1.00 32.22 H new ATOM 0 HE2 LYS A 606 -3.947 -1.869 15.814 1.00 60.12 H new ATOM 0 HE3 LYS A 606 -3.337 -3.482 15.505 1.00 60.12 H new ATOM 0 HZ1 LYS A 606 -4.138 -3.266 17.763 1.00 21.41 H new ATOM 0 HZ2 LYS A 606 -2.464 -3.555 17.765 1.00 21.41 H new ATOM 0 HZ3 LYS A 606 -3.056 -1.992 18.064 1.00 21.41 H new ATOM 393 N GLY A 607 0.877 -2.646 11.570 1.00 11.01 N ATOM 394 CA GLY A 607 0.898 -3.796 10.730 1.00 60.24 C ATOM 395 C GLY A 607 0.746 -5.046 11.505 1.00 4.02 C ATOM 396 O GLY A 607 1.317 -5.194 12.585 1.00 43.31 O ATOM 0 H GLY A 607 1.724 -2.486 12.116 1.00 11.01 H new ATOM 0 HA2 GLY A 607 0.096 -3.724 9.996 1.00 60.24 H new ATOM 0 HA3 GLY A 607 1.836 -3.824 10.176 1.00 60.24 H new ATOM 400 N ASN A 608 -0.043 -5.939 10.991 1.00 74.32 N ATOM 401 CA ASN A 608 -0.248 -7.192 11.636 1.00 11.42 C ATOM 402 C ASN A 608 0.330 -8.285 10.782 1.00 55.22 C ATOM 403 O ASN A 608 0.310 -8.205 9.544 1.00 73.45 O ATOM 404 CB ASN A 608 -1.733 -7.466 11.958 1.00 24.11 C ATOM 405 CG ASN A 608 -2.392 -6.437 12.894 1.00 73.03 C ATOM 406 OD1 ASN A 608 -3.602 -6.228 12.839 1.00 55.42 O ATOM 407 ND2 ASN A 608 -1.614 -5.773 13.728 1.00 41.44 N ATOM 0 H ASN A 608 -0.558 -5.818 10.119 1.00 74.32 H new ATOM 0 HA ASN A 608 0.265 -7.162 12.598 1.00 11.42 H new ATOM 0 HB2 ASN A 608 -2.293 -7.497 11.023 1.00 24.11 H new ATOM 0 HB3 ASN A 608 -1.815 -8.454 12.412 1.00 24.11 H new ATOM 0 HD21 ASN A 608 -2.014 -5.067 14.346 1.00 41.44 H new ATOM 0 HD22 ASN A 608 -0.613 -5.965 13.754 1.00 41.44 H new ATOM 414 N ARG A 609 0.853 -9.283 11.413 1.00 1.33 N ATOM 415 CA ARG A 609 1.492 -10.363 10.739 1.00 22.13 C ATOM 416 C ARG A 609 1.007 -11.664 11.303 1.00 52.35 C ATOM 417 O ARG A 609 0.896 -11.812 12.514 1.00 74.42 O ATOM 418 CB ARG A 609 3.001 -10.206 10.868 1.00 52.24 C ATOM 419 CG ARG A 609 3.843 -11.287 10.231 1.00 23.04 C ATOM 420 CD ARG A 609 5.294 -10.888 10.311 1.00 1.13 C ATOM 421 NE ARG A 609 6.202 -11.889 9.760 1.00 22.45 N ATOM 422 CZ ARG A 609 7.008 -11.665 8.713 1.00 72.02 C ATOM 423 NH1 ARG A 609 6.801 -10.620 7.917 1.00 51.30 N ATOM 424 NH2 ARG A 609 7.984 -12.518 8.425 1.00 70.50 N ATOM 0 H ARG A 609 0.848 -9.372 12.429 1.00 1.33 H new ATOM 0 HA ARG A 609 1.243 -10.355 9.678 1.00 22.13 H new ATOM 0 HB2 ARG A 609 3.284 -9.249 10.430 1.00 52.24 H new ATOM 0 HB3 ARG A 609 3.251 -10.158 11.928 1.00 52.24 H new ATOM 0 HG2 ARG A 609 3.685 -12.237 10.741 1.00 23.04 H new ATOM 0 HG3 ARG A 609 3.548 -11.430 9.191 1.00 23.04 H new ATOM 0 HD2 ARG A 609 5.435 -9.948 9.777 1.00 1.13 H new ATOM 0 HD3 ARG A 609 5.556 -10.705 11.353 1.00 1.13 H new ATOM 0 HE ARG A 609 6.224 -12.811 10.196 1.00 22.45 H new ATOM 0 HH11 ARG A 609 6.025 -9.984 8.102 1.00 51.30 H new ATOM 0 HH12 ARG A 609 7.418 -10.455 7.122 1.00 51.30 H new ATOM 0 HH21 ARG A 609 8.123 -13.348 9.002 1.00 70.50 H new ATOM 0 HH22 ARG A 609 8.595 -12.343 7.627 1.00 70.50 H new ATOM 438 N SER A 610 0.676 -12.581 10.421 1.00 54.51 N ATOM 439 CA SER A 610 0.187 -13.862 10.802 1.00 75.24 C ATOM 440 C SER A 610 1.293 -14.633 11.536 1.00 63.54 C ATOM 441 O SER A 610 2.335 -14.912 10.955 1.00 13.41 O ATOM 442 CB SER A 610 -0.172 -14.595 9.539 1.00 44.51 C ATOM 443 OG SER A 610 -0.895 -13.762 8.664 1.00 73.31 O ATOM 0 H SER A 610 0.744 -12.445 9.412 1.00 54.51 H new ATOM 0 HA SER A 610 -0.677 -13.768 11.461 1.00 75.24 H new ATOM 0 HB2 SER A 610 0.735 -14.946 9.047 1.00 44.51 H new ATOM 0 HB3 SER A 610 -0.765 -15.477 9.781 1.00 44.51 H new ATOM 0 HG SER A 610 -1.117 -14.258 7.848 1.00 73.31 H new ATOM 518 N ALA A 615 2.853 -14.597 6.465 1.00 13.15 N ATOM 519 CA ALA A 615 2.740 -13.905 5.172 1.00 15.52 C ATOM 520 C ALA A 615 2.288 -12.484 5.356 1.00 61.43 C ATOM 521 O ALA A 615 2.037 -11.765 4.378 1.00 73.25 O ATOM 522 CB ALA A 615 1.765 -14.626 4.295 1.00 43.21 C ATOM 0 HA ALA A 615 3.725 -13.898 4.705 1.00 15.52 H new ATOM 0 HB1 ALA A 615 1.685 -14.109 3.339 1.00 43.21 H new ATOM 0 HB2 ALA A 615 2.111 -15.646 4.129 1.00 43.21 H new ATOM 0 HB3 ALA A 615 0.788 -14.648 4.778 1.00 43.21 H new ATOM 528 N ASP A 616 2.195 -12.088 6.613 1.00 10.15 N ATOM 529 CA ASP A 616 1.723 -10.804 7.046 1.00 61.31 C ATOM 530 C ASP A 616 0.239 -10.689 6.784 1.00 1.35 C ATOM 531 O ASP A 616 -0.318 -11.359 5.907 1.00 54.32 O ATOM 532 CB ASP A 616 2.470 -9.602 6.412 1.00 32.03 C ATOM 533 CG ASP A 616 3.985 -9.633 6.574 1.00 35.14 C ATOM 534 OD1 ASP A 616 4.496 -9.145 7.581 1.00 14.31 O ATOM 535 OD2 ASP A 616 4.678 -10.136 5.662 1.00 51.42 O ATOM 0 H ASP A 616 2.462 -12.691 7.391 1.00 10.15 H new ATOM 0 HA ASP A 616 1.930 -10.751 8.115 1.00 61.31 H new ATOM 0 HB2 ASP A 616 2.233 -9.565 5.349 1.00 32.03 H new ATOM 0 HB3 ASP A 616 2.090 -8.682 6.855 1.00 32.03 H new ATOM 540 N LEU A 617 -0.405 -9.899 7.552 1.00 5.05 N ATOM 541 CA LEU A 617 -1.793 -9.612 7.329 1.00 23.13 C ATOM 542 C LEU A 617 -1.874 -8.283 6.624 1.00 2.22 C ATOM 543 O LEU A 617 -2.910 -7.901 6.099 1.00 54.05 O ATOM 544 CB LEU A 617 -2.550 -9.565 8.656 1.00 71.10 C ATOM 545 CG LEU A 617 -2.639 -10.873 9.439 1.00 74.45 C ATOM 546 CD1 LEU A 617 -3.285 -10.631 10.788 1.00 22.14 C ATOM 547 CD2 LEU A 617 -3.446 -11.899 8.656 1.00 2.54 C ATOM 0 H LEU A 617 0.003 -9.425 8.358 1.00 5.05 H new ATOM 0 HA LEU A 617 -2.251 -10.392 6.721 1.00 23.13 H new ATOM 0 HB2 LEU A 617 -2.075 -8.818 9.293 1.00 71.10 H new ATOM 0 HB3 LEU A 617 -3.564 -9.217 8.458 1.00 71.10 H new ATOM 0 HG LEU A 617 -1.631 -11.257 9.593 1.00 74.45 H new ATOM 0 HD11 LEU A 617 -3.343 -11.571 11.337 1.00 22.14 H new ATOM 0 HD12 LEU A 617 -2.688 -9.916 11.354 1.00 22.14 H new ATOM 0 HD13 LEU A 617 -4.289 -10.232 10.644 1.00 22.14 H new ATOM 0 HD21 LEU A 617 -3.503 -12.828 9.224 1.00 2.54 H new ATOM 0 HD22 LEU A 617 -4.452 -11.516 8.484 1.00 2.54 H new ATOM 0 HD23 LEU A 617 -2.962 -12.089 7.698 1.00 2.54 H new ATOM 559 N GLY A 618 -0.738 -7.614 6.579 1.00 33.20 N ATOM 560 CA GLY A 618 -0.665 -6.289 5.990 1.00 2.43 C ATOM 561 C GLY A 618 -0.737 -5.185 7.036 1.00 43.51 C ATOM 562 O GLY A 618 -0.560 -5.441 8.235 1.00 24.03 O ATOM 0 H GLY A 618 0.148 -7.965 6.943 1.00 33.20 H new ATOM 0 HA2 GLY A 618 0.265 -6.194 5.429 1.00 2.43 H new ATOM 0 HA3 GLY A 618 -1.481 -6.165 5.278 1.00 2.43 H new ATOM 566 N ILE A 619 -0.995 -3.971 6.588 1.00 71.12 N ATOM 567 CA ILE A 619 -1.038 -2.807 7.453 1.00 51.21 C ATOM 568 C ILE A 619 -2.498 -2.403 7.661 1.00 44.11 C ATOM 569 O ILE A 619 -3.235 -2.259 6.696 1.00 11.13 O ATOM 570 CB ILE A 619 -0.262 -1.618 6.801 1.00 30.42 C ATOM 571 CG1 ILE A 619 1.178 -2.040 6.428 1.00 53.34 C ATOM 572 CG2 ILE A 619 -0.232 -0.413 7.726 1.00 74.11 C ATOM 573 CD1 ILE A 619 2.013 -2.541 7.596 1.00 63.42 C ATOM 0 H ILE A 619 -1.182 -3.763 5.607 1.00 71.12 H new ATOM 0 HA ILE A 619 -0.572 -3.050 8.408 1.00 51.21 H new ATOM 0 HB ILE A 619 -0.790 -1.338 5.889 1.00 30.42 H new ATOM 0 HG12 ILE A 619 1.129 -2.823 5.671 1.00 53.34 H new ATOM 0 HG13 ILE A 619 1.686 -1.189 5.974 1.00 53.34 H new ATOM 0 HG21 ILE A 619 0.314 0.400 7.247 1.00 74.11 H new ATOM 0 HG22 ILE A 619 -1.252 -0.090 7.936 1.00 74.11 H new ATOM 0 HG23 ILE A 619 0.263 -0.683 8.659 1.00 74.11 H new ATOM 0 HD11 ILE A 619 3.007 -2.814 7.242 1.00 63.42 H new ATOM 0 HD12 ILE A 619 2.099 -1.755 8.346 1.00 63.42 H new ATOM 0 HD13 ILE A 619 1.533 -3.414 8.039 1.00 63.42 H new ATOM 585 N PHE A 620 -2.902 -2.228 8.897 1.00 51.12 N ATOM 586 CA PHE A 620 -4.280 -1.898 9.226 1.00 51.01 C ATOM 587 C PHE A 620 -4.348 -0.621 10.031 1.00 41.01 C ATOM 588 O PHE A 620 -3.412 -0.295 10.775 1.00 3.11 O ATOM 589 CB PHE A 620 -4.912 -3.004 10.076 1.00 2.20 C ATOM 590 CG PHE A 620 -4.983 -4.353 9.439 1.00 71.23 C ATOM 591 CD1 PHE A 620 -3.918 -5.232 9.530 1.00 55.35 C ATOM 592 CD2 PHE A 620 -6.131 -4.758 8.770 1.00 60.50 C ATOM 593 CE1 PHE A 620 -3.997 -6.478 8.966 1.00 63.22 C ATOM 594 CE2 PHE A 620 -6.211 -6.009 8.208 1.00 63.53 C ATOM 595 CZ PHE A 620 -5.145 -6.871 8.304 1.00 70.14 C ATOM 0 H PHE A 620 -2.289 -2.309 9.708 1.00 51.12 H new ATOM 0 HA PHE A 620 -4.816 -1.784 8.283 1.00 51.01 H new ATOM 0 HB2 PHE A 620 -4.347 -3.091 11.004 1.00 2.20 H new ATOM 0 HB3 PHE A 620 -5.922 -2.697 10.345 1.00 2.20 H new ATOM 0 HD1 PHE A 620 -3.019 -4.934 10.049 1.00 55.35 H new ATOM 0 HD2 PHE A 620 -6.970 -4.082 8.691 1.00 60.50 H new ATOM 0 HE1 PHE A 620 -3.159 -7.156 9.039 1.00 63.22 H new ATOM 0 HE2 PHE A 620 -7.109 -6.314 7.692 1.00 63.53 H new ATOM 0 HZ PHE A 620 -5.204 -7.855 7.862 1.00 70.14 H new ATOM 605 N VAL A 621 -5.432 0.110 9.886 1.00 42.01 N ATOM 606 CA VAL A 621 -5.658 1.287 10.716 1.00 73.24 C ATOM 607 C VAL A 621 -5.891 0.878 12.175 1.00 44.45 C ATOM 608 O VAL A 621 -6.591 -0.079 12.463 1.00 11.00 O ATOM 609 CB VAL A 621 -6.853 2.134 10.213 1.00 11.43 C ATOM 610 CG1 VAL A 621 -7.120 3.317 11.135 1.00 32.32 C ATOM 611 CG2 VAL A 621 -6.597 2.626 8.807 1.00 32.35 C ATOM 0 H VAL A 621 -6.169 -0.083 9.208 1.00 42.01 H new ATOM 0 HA VAL A 621 -4.761 1.902 10.649 1.00 73.24 H new ATOM 0 HB VAL A 621 -7.735 1.494 10.213 1.00 11.43 H new ATOM 0 HG11 VAL A 621 -7.965 3.892 10.754 1.00 32.32 H new ATOM 0 HG12 VAL A 621 -7.350 2.953 12.136 1.00 32.32 H new ATOM 0 HG13 VAL A 621 -6.236 3.954 11.175 1.00 32.32 H new ATOM 0 HG21 VAL A 621 -7.446 3.219 8.469 1.00 32.35 H new ATOM 0 HG22 VAL A 621 -5.697 3.241 8.795 1.00 32.35 H new ATOM 0 HG23 VAL A 621 -6.463 1.773 8.142 1.00 32.35 H new ATOM 621 N LYS A 622 -5.279 1.586 13.073 1.00 13.22 N ATOM 622 CA LYS A 622 -5.447 1.341 14.496 1.00 2.03 C ATOM 623 C LYS A 622 -6.302 2.415 15.141 1.00 74.20 C ATOM 624 O LYS A 622 -7.205 2.115 15.910 1.00 15.41 O ATOM 625 CB LYS A 622 -4.092 1.230 15.202 1.00 65.51 C ATOM 626 CG LYS A 622 -3.111 2.262 14.715 1.00 12.12 C ATOM 627 CD LYS A 622 -1.865 2.374 15.539 1.00 1.40 C ATOM 628 CE LYS A 622 -2.193 3.023 16.904 1.00 21.00 C ATOM 629 NZ LYS A 622 -1.015 3.258 17.761 1.00 0.10 N ATOM 0 H LYS A 622 -4.645 2.354 12.853 1.00 13.22 H new ATOM 0 HA LYS A 622 -5.964 0.388 14.606 1.00 2.03 H new ATOM 0 HB2 LYS A 622 -4.234 1.345 16.277 1.00 65.51 H new ATOM 0 HB3 LYS A 622 -3.680 0.234 15.039 1.00 65.51 H new ATOM 0 HG2 LYS A 622 -2.832 2.024 13.689 1.00 12.12 H new ATOM 0 HG3 LYS A 622 -3.606 3.233 14.694 1.00 12.12 H new ATOM 0 HD2 LYS A 622 -1.429 1.387 15.691 1.00 1.40 H new ATOM 0 HD3 LYS A 622 -1.122 2.972 15.011 1.00 1.40 H new ATOM 0 HE2 LYS A 622 -2.697 3.974 16.730 1.00 21.00 H new ATOM 0 HE3 LYS A 622 -2.895 2.383 17.438 1.00 21.00 H new ATOM 0 HZ1 LYS A 622 -1.171 4.108 18.340 1.00 0.10 H new ATOM 0 HZ2 LYS A 622 -0.869 2.437 18.383 1.00 0.10 H new ATOM 0 HZ3 LYS A 622 -0.174 3.395 17.165 1.00 0.10 H new ATOM 643 N SER A 623 -6.025 3.657 14.823 1.00 15.04 N ATOM 644 CA SER A 623 -6.750 4.752 15.398 1.00 10.21 C ATOM 645 C SER A 623 -6.826 5.893 14.402 1.00 61.14 C ATOM 646 O SER A 623 -5.874 6.134 13.643 1.00 45.15 O ATOM 647 CB SER A 623 -6.090 5.204 16.723 1.00 63.35 C ATOM 648 OG SER A 623 -6.834 6.239 17.363 1.00 33.50 O ATOM 0 H SER A 623 -5.296 3.930 14.164 1.00 15.04 H new ATOM 0 HA SER A 623 -7.765 4.429 15.630 1.00 10.21 H new ATOM 0 HB2 SER A 623 -6.004 4.350 17.395 1.00 63.35 H new ATOM 0 HB3 SER A 623 -5.078 5.555 16.523 1.00 63.35 H new ATOM 0 HG SER A 623 -6.387 6.496 18.196 1.00 33.50 H new ATOM 654 N ILE A 624 -7.946 6.552 14.384 1.00 62.01 N ATOM 655 CA ILE A 624 -8.184 7.677 13.528 1.00 11.14 C ATOM 656 C ILE A 624 -7.845 8.942 14.297 1.00 60.34 C ATOM 657 O ILE A 624 -8.257 9.102 15.443 1.00 24.42 O ATOM 658 CB ILE A 624 -9.682 7.709 13.019 1.00 33.31 C ATOM 659 CG1 ILE A 624 -9.969 6.582 11.993 1.00 63.22 C ATOM 660 CG2 ILE A 624 -10.053 9.057 12.428 1.00 62.14 C ATOM 661 CD1 ILE A 624 -9.836 5.176 12.503 1.00 14.24 C ATOM 0 H ILE A 624 -8.740 6.316 14.979 1.00 62.01 H new ATOM 0 HA ILE A 624 -7.553 7.600 12.643 1.00 11.14 H new ATOM 0 HB ILE A 624 -10.305 7.539 13.897 1.00 33.31 H new ATOM 0 HG12 ILE A 624 -10.982 6.715 11.612 1.00 63.22 H new ATOM 0 HG13 ILE A 624 -9.292 6.706 11.148 1.00 63.22 H new ATOM 0 HG21 ILE A 624 -11.089 9.034 12.091 1.00 62.14 H new ATOM 0 HG22 ILE A 624 -9.935 9.832 13.186 1.00 62.14 H new ATOM 0 HG23 ILE A 624 -9.402 9.275 11.582 1.00 62.14 H new ATOM 0 HD11 ILE A 624 -10.060 4.475 11.699 1.00 14.24 H new ATOM 0 HD12 ILE A 624 -8.818 5.011 12.855 1.00 14.24 H new ATOM 0 HD13 ILE A 624 -10.534 5.020 13.326 1.00 14.24 H new ATOM 673 N ILE A 625 -7.083 9.814 13.689 1.00 62.34 N ATOM 674 CA ILE A 625 -6.676 11.045 14.348 1.00 75.22 C ATOM 675 C ILE A 625 -7.639 12.161 14.003 1.00 45.34 C ATOM 676 O ILE A 625 -7.878 12.448 12.820 1.00 51.12 O ATOM 677 CB ILE A 625 -5.206 11.470 13.990 1.00 32.01 C ATOM 678 CG1 ILE A 625 -4.211 10.402 14.470 1.00 52.32 C ATOM 679 CG2 ILE A 625 -4.858 12.833 14.585 1.00 3.52 C ATOM 680 CD1 ILE A 625 -2.769 10.718 14.138 1.00 43.30 C ATOM 0 H ILE A 625 -6.728 9.702 12.739 1.00 62.34 H new ATOM 0 HA ILE A 625 -6.699 10.855 15.421 1.00 75.22 H new ATOM 0 HB ILE A 625 -5.136 11.555 12.906 1.00 32.01 H new ATOM 0 HG12 ILE A 625 -4.309 10.287 15.549 1.00 52.32 H new ATOM 0 HG13 ILE A 625 -4.476 9.444 14.022 1.00 52.32 H new ATOM 0 HG21 ILE A 625 -3.834 13.096 14.318 1.00 3.52 H new ATOM 0 HG22 ILE A 625 -5.541 13.587 14.192 1.00 3.52 H new ATOM 0 HG23 ILE A 625 -4.950 12.791 15.670 1.00 3.52 H new ATOM 0 HD11 ILE A 625 -2.127 9.919 14.508 1.00 43.30 H new ATOM 0 HD12 ILE A 625 -2.655 10.804 13.057 1.00 43.30 H new ATOM 0 HD13 ILE A 625 -2.485 11.659 14.609 1.00 43.30 H new ATOM 692 N ASN A 626 -8.214 12.763 15.027 1.00 35.53 N ATOM 693 CA ASN A 626 -9.106 13.884 14.834 1.00 12.31 C ATOM 694 C ASN A 626 -8.294 15.076 14.377 1.00 4.21 C ATOM 695 O ASN A 626 -7.246 15.383 14.953 1.00 21.20 O ATOM 696 CB ASN A 626 -9.909 14.213 16.122 1.00 62.11 C ATOM 697 CG ASN A 626 -9.058 14.689 17.303 1.00 0.44 C ATOM 698 OD1 ASN A 626 -8.553 13.881 18.086 1.00 23.12 O ATOM 699 ND2 ASN A 626 -8.926 15.990 17.459 1.00 4.01 N ATOM 0 H ASN A 626 -8.077 12.492 16.001 1.00 35.53 H new ATOM 0 HA ASN A 626 -9.841 13.625 14.072 1.00 12.31 H new ATOM 0 HB2 ASN A 626 -10.645 14.983 15.888 1.00 62.11 H new ATOM 0 HB3 ASN A 626 -10.463 13.324 16.426 1.00 62.11 H new ATOM 0 HD21 ASN A 626 -8.393 16.358 18.247 1.00 4.01 H new ATOM 0 HD22 ASN A 626 -9.357 16.630 16.792 1.00 4.01 H new ATOM 706 N GLY A 627 -8.752 15.726 13.352 1.00 33.45 N ATOM 707 CA GLY A 627 -8.010 16.824 12.802 1.00 75.24 C ATOM 708 C GLY A 627 -7.089 16.356 11.700 1.00 42.51 C ATOM 709 O GLY A 627 -5.916 16.744 11.640 1.00 11.43 O ATOM 0 H GLY A 627 -9.632 15.519 12.879 1.00 33.45 H new ATOM 0 HA2 GLY A 627 -8.698 17.574 12.412 1.00 75.24 H new ATOM 0 HA3 GLY A 627 -7.428 17.304 13.588 1.00 75.24 H new ATOM 713 N GLY A 628 -7.611 15.490 10.862 1.00 13.12 N ATOM 714 CA GLY A 628 -6.883 14.999 9.732 1.00 71.33 C ATOM 715 C GLY A 628 -7.790 14.897 8.534 1.00 23.14 C ATOM 716 O GLY A 628 -8.955 14.493 8.670 1.00 62.32 O ATOM 0 H GLY A 628 -8.554 15.111 10.951 1.00 13.12 H new ATOM 0 HA2 GLY A 628 -6.049 15.665 9.510 1.00 71.33 H new ATOM 0 HA3 GLY A 628 -6.459 14.021 9.960 1.00 71.33 H new ATOM 720 N ALA A 629 -7.288 15.252 7.369 1.00 20.25 N ATOM 721 CA ALA A 629 -8.084 15.248 6.146 1.00 54.31 C ATOM 722 C ALA A 629 -8.547 13.851 5.761 1.00 62.42 C ATOM 723 O ALA A 629 -9.613 13.687 5.188 1.00 72.52 O ATOM 724 CB ALA A 629 -7.337 15.914 5.004 1.00 23.53 C ATOM 0 H ALA A 629 -6.322 15.551 7.237 1.00 20.25 H new ATOM 0 HA ALA A 629 -8.981 15.832 6.350 1.00 54.31 H new ATOM 0 HB1 ALA A 629 -7.954 15.896 4.106 1.00 23.53 H new ATOM 0 HB2 ALA A 629 -7.112 16.947 5.270 1.00 23.53 H new ATOM 0 HB3 ALA A 629 -6.407 15.377 4.816 1.00 23.53 H new ATOM 730 N ALA A 630 -7.767 12.840 6.102 1.00 51.13 N ATOM 731 CA ALA A 630 -8.147 11.463 5.778 1.00 14.15 C ATOM 732 C ALA A 630 -9.294 11.042 6.637 1.00 52.50 C ATOM 733 O ALA A 630 -10.170 10.282 6.217 1.00 73.42 O ATOM 734 CB ALA A 630 -6.982 10.517 5.971 1.00 1.21 C ATOM 0 H ALA A 630 -6.879 12.936 6.595 1.00 51.13 H new ATOM 0 HA ALA A 630 -8.444 11.426 4.730 1.00 14.15 H new ATOM 0 HB1 ALA A 630 -7.293 9.502 5.723 1.00 1.21 H new ATOM 0 HB2 ALA A 630 -6.160 10.814 5.320 1.00 1.21 H new ATOM 0 HB3 ALA A 630 -6.653 10.552 7.009 1.00 1.21 H new ATOM 740 N SER A 631 -9.291 11.562 7.814 1.00 64.33 N ATOM 741 CA SER A 631 -10.299 11.273 8.782 1.00 10.24 C ATOM 742 C SER A 631 -11.595 11.978 8.403 1.00 13.13 C ATOM 743 O SER A 631 -12.665 11.380 8.417 1.00 53.21 O ATOM 744 CB SER A 631 -9.819 11.750 10.147 1.00 11.32 C ATOM 745 OG SER A 631 -8.544 11.200 10.436 1.00 24.51 O ATOM 0 H SER A 631 -8.576 12.212 8.140 1.00 64.33 H new ATOM 0 HA SER A 631 -10.486 10.200 8.816 1.00 10.24 H new ATOM 0 HB2 SER A 631 -9.766 12.839 10.162 1.00 11.32 H new ATOM 0 HB3 SER A 631 -10.533 11.455 10.916 1.00 11.32 H new ATOM 0 HG SER A 631 -8.206 11.580 11.274 1.00 24.51 H new ATOM 751 N LYS A 632 -11.481 13.246 8.067 1.00 42.13 N ATOM 752 CA LYS A 632 -12.629 14.068 7.727 1.00 1.10 C ATOM 753 C LYS A 632 -13.201 13.801 6.330 1.00 61.22 C ATOM 754 O LYS A 632 -14.394 13.541 6.189 1.00 45.23 O ATOM 755 CB LYS A 632 -12.252 15.541 7.824 1.00 2.32 C ATOM 756 CG LYS A 632 -11.842 16.005 9.213 1.00 72.52 C ATOM 757 CD LYS A 632 -11.389 17.460 9.197 1.00 40.05 C ATOM 758 CE LYS A 632 -12.478 18.386 8.671 1.00 21.01 C ATOM 759 NZ LYS A 632 -12.052 19.794 8.663 1.00 64.42 N ATOM 0 H LYS A 632 -10.589 13.739 8.021 1.00 42.13 H new ATOM 0 HA LYS A 632 -13.406 13.803 8.444 1.00 1.10 H new ATOM 0 HB2 LYS A 632 -11.432 15.738 7.134 1.00 2.32 H new ATOM 0 HB3 LYS A 632 -13.099 16.141 7.491 1.00 2.32 H new ATOM 0 HG2 LYS A 632 -12.681 15.890 9.900 1.00 72.52 H new ATOM 0 HG3 LYS A 632 -11.035 15.374 9.587 1.00 72.52 H new ATOM 0 HD2 LYS A 632 -11.109 17.765 10.205 1.00 40.05 H new ATOM 0 HD3 LYS A 632 -10.499 17.557 8.576 1.00 40.05 H new ATOM 0 HE2 LYS A 632 -12.752 18.085 7.660 1.00 21.01 H new ATOM 0 HE3 LYS A 632 -13.371 18.281 9.287 1.00 21.01 H new ATOM 0 HZ1 LYS A 632 -12.824 20.388 8.298 1.00 64.42 H new ATOM 0 HZ2 LYS A 632 -11.815 20.091 9.631 1.00 64.42 H new ATOM 0 HZ3 LYS A 632 -11.216 19.900 8.054 1.00 64.42 H new ATOM 773 N ASP A 633 -12.350 13.845 5.312 1.00 64.10 N ATOM 774 CA ASP A 633 -12.842 13.816 3.931 1.00 74.41 C ATOM 775 C ASP A 633 -13.218 12.429 3.461 1.00 35.42 C ATOM 776 O ASP A 633 -14.338 12.203 2.991 1.00 51.33 O ATOM 777 CB ASP A 633 -11.826 14.452 2.978 1.00 63.00 C ATOM 778 CG ASP A 633 -12.340 14.577 1.561 1.00 21.05 C ATOM 779 OD1 ASP A 633 -12.974 15.613 1.235 1.00 32.10 O ATOM 780 OD2 ASP A 633 -12.102 13.666 0.735 1.00 2.55 O ATOM 0 H ASP A 633 -11.336 13.900 5.407 1.00 64.10 H new ATOM 0 HA ASP A 633 -13.759 14.405 3.920 1.00 74.41 H new ATOM 0 HB2 ASP A 633 -11.558 15.441 3.350 1.00 63.00 H new ATOM 0 HB3 ASP A 633 -10.915 13.854 2.976 1.00 63.00 H new ATOM 785 N GLY A 634 -12.307 11.497 3.605 1.00 51.02 N ATOM 786 CA GLY A 634 -12.560 10.158 3.130 1.00 54.44 C ATOM 787 C GLY A 634 -13.224 9.312 4.169 1.00 52.14 C ATOM 788 O GLY A 634 -14.179 8.575 3.870 1.00 15.02 O ATOM 0 H GLY A 634 -11.396 11.637 4.041 1.00 51.02 H new ATOM 0 HA2 GLY A 634 -13.189 10.201 2.241 1.00 54.44 H new ATOM 0 HA3 GLY A 634 -11.619 9.695 2.832 1.00 54.44 H new ATOM 792 N ARG A 635 -12.737 9.445 5.399 1.00 13.44 N ATOM 793 CA ARG A 635 -13.226 8.713 6.561 1.00 1.10 C ATOM 794 C ARG A 635 -12.834 7.267 6.503 1.00 72.03 C ATOM 795 O ARG A 635 -13.466 6.435 5.843 1.00 22.42 O ATOM 796 CB ARG A 635 -14.714 8.864 6.757 1.00 1.34 C ATOM 797 CG ARG A 635 -15.153 10.293 6.960 1.00 22.11 C ATOM 798 CD ARG A 635 -16.615 10.405 6.726 1.00 31.21 C ATOM 799 NE ARG A 635 -16.907 9.945 5.374 1.00 71.44 N ATOM 800 CZ ARG A 635 -18.050 10.156 4.710 1.00 22.44 C ATOM 801 NH1 ARG A 635 -19.037 10.855 5.271 1.00 45.40 N ATOM 802 NH2 ARG A 635 -18.202 9.675 3.490 1.00 11.10 N ATOM 0 H ARG A 635 -11.971 10.082 5.620 1.00 13.44 H new ATOM 0 HA ARG A 635 -12.746 9.160 7.431 1.00 1.10 H new ATOM 0 HB2 ARG A 635 -15.230 8.454 5.889 1.00 1.34 H new ATOM 0 HB3 ARG A 635 -15.021 8.272 7.619 1.00 1.34 H new ATOM 0 HG2 ARG A 635 -14.911 10.618 7.972 1.00 22.11 H new ATOM 0 HG3 ARG A 635 -14.614 10.950 6.277 1.00 22.11 H new ATOM 0 HD2 ARG A 635 -17.162 9.807 7.455 1.00 31.21 H new ATOM 0 HD3 ARG A 635 -16.940 11.438 6.853 1.00 31.21 H new ATOM 0 HE ARG A 635 -16.178 9.417 4.893 1.00 71.44 H new ATOM 0 HH11 ARG A 635 -18.924 11.233 6.212 1.00 45.40 H new ATOM 0 HH12 ARG A 635 -19.905 11.012 4.759 1.00 45.40 H new ATOM 0 HH21 ARG A 635 -17.449 9.143 3.054 1.00 11.10 H new ATOM 0 HH22 ARG A 635 -19.073 9.835 2.983 1.00 11.10 H new ATOM 816 N LEU A 636 -11.773 7.002 7.144 1.00 71.01 N ATOM 817 CA LEU A 636 -11.268 5.662 7.300 1.00 74.51 C ATOM 818 C LEU A 636 -11.883 5.036 8.531 1.00 71.32 C ATOM 819 O LEU A 636 -12.683 5.677 9.237 1.00 65.43 O ATOM 820 CB LEU A 636 -9.736 5.645 7.366 1.00 32.03 C ATOM 821 CG LEU A 636 -9.008 5.990 6.060 1.00 33.11 C ATOM 822 CD1 LEU A 636 -7.518 6.104 6.296 1.00 43.34 C ATOM 823 CD2 LEU A 636 -9.267 4.914 5.019 1.00 13.55 C ATOM 0 H LEU A 636 -11.199 7.714 7.596 1.00 71.01 H new ATOM 0 HA LEU A 636 -11.550 5.073 6.427 1.00 74.51 H new ATOM 0 HB2 LEU A 636 -9.416 6.348 8.135 1.00 32.03 H new ATOM 0 HB3 LEU A 636 -9.416 4.654 7.688 1.00 32.03 H new ATOM 0 HG LEU A 636 -9.387 6.947 5.701 1.00 33.11 H new ATOM 0 HD11 LEU A 636 -7.019 6.349 5.359 1.00 43.34 H new ATOM 0 HD12 LEU A 636 -7.324 6.890 7.026 1.00 43.34 H new ATOM 0 HD13 LEU A 636 -7.136 5.156 6.673 1.00 43.34 H new ATOM 0 HD21 LEU A 636 -8.746 5.168 4.096 1.00 13.55 H new ATOM 0 HD22 LEU A 636 -8.904 3.955 5.389 1.00 13.55 H new ATOM 0 HD23 LEU A 636 -10.337 4.846 4.825 1.00 13.55 H new ATOM 835 N ARG A 637 -11.532 3.827 8.802 1.00 12.10 N ATOM 836 CA ARG A 637 -12.130 3.109 9.883 1.00 4.04 C ATOM 837 C ARG A 637 -11.058 2.391 10.627 1.00 13.13 C ATOM 838 O ARG A 637 -9.917 2.409 10.238 1.00 61.14 O ATOM 839 CB ARG A 637 -13.138 2.124 9.310 1.00 41.44 C ATOM 840 CG ARG A 637 -12.500 1.095 8.447 1.00 70.52 C ATOM 841 CD ARG A 637 -13.451 0.519 7.448 1.00 60.02 C ATOM 842 NE ARG A 637 -14.003 1.564 6.526 1.00 62.34 N ATOM 843 CZ ARG A 637 -13.289 2.436 5.727 1.00 63.21 C ATOM 844 NH1 ARG A 637 -11.944 2.462 5.727 1.00 41.42 N ATOM 845 NH2 ARG A 637 -13.950 3.298 4.959 1.00 64.32 N ATOM 0 H ARG A 637 -10.824 3.305 8.284 1.00 12.10 H new ATOM 0 HA ARG A 637 -12.643 3.785 10.567 1.00 4.04 H new ATOM 0 HB2 ARG A 637 -13.666 1.632 10.127 1.00 41.44 H new ATOM 0 HB3 ARG A 637 -13.884 2.668 8.731 1.00 41.44 H new ATOM 0 HG2 ARG A 637 -11.652 1.538 7.924 1.00 70.52 H new ATOM 0 HG3 ARG A 637 -12.105 0.294 9.072 1.00 70.52 H new ATOM 0 HD2 ARG A 637 -12.942 -0.247 6.863 1.00 60.02 H new ATOM 0 HD3 ARG A 637 -14.272 0.028 7.971 1.00 60.02 H new ATOM 0 HE ARG A 637 -15.019 1.640 6.484 1.00 62.34 H new ATOM 0 HH11 ARG A 637 -11.422 1.825 6.329 1.00 41.42 H new ATOM 0 HH12 ARG A 637 -11.447 3.118 5.125 1.00 41.42 H new ATOM 0 HH21 ARG A 637 -14.970 3.309 4.966 1.00 64.32 H new ATOM 0 HH22 ARG A 637 -13.437 3.948 4.364 1.00 64.32 H new ATOM 859 N VAL A 638 -11.418 1.762 11.668 1.00 14.24 N ATOM 860 CA VAL A 638 -10.460 1.050 12.451 1.00 60.10 C ATOM 861 C VAL A 638 -10.321 -0.366 11.929 1.00 50.21 C ATOM 862 O VAL A 638 -11.323 -1.037 11.648 1.00 12.43 O ATOM 863 CB VAL A 638 -10.830 1.038 13.954 1.00 5.30 C ATOM 864 CG1 VAL A 638 -9.805 0.261 14.780 1.00 34.42 C ATOM 865 CG2 VAL A 638 -10.967 2.453 14.483 1.00 72.22 C ATOM 0 H VAL A 638 -12.376 1.716 12.014 1.00 14.24 H new ATOM 0 HA VAL A 638 -9.505 1.567 12.360 1.00 60.10 H new ATOM 0 HB VAL A 638 -11.790 0.531 14.050 1.00 5.30 H new ATOM 0 HG11 VAL A 638 -10.098 0.274 15.830 1.00 34.42 H new ATOM 0 HG12 VAL A 638 -9.761 -0.770 14.429 1.00 34.42 H new ATOM 0 HG13 VAL A 638 -8.824 0.724 14.671 1.00 34.42 H new ATOM 0 HG21 VAL A 638 -11.227 2.422 15.541 1.00 72.22 H new ATOM 0 HG22 VAL A 638 -10.022 2.982 14.357 1.00 72.22 H new ATOM 0 HG23 VAL A 638 -11.750 2.973 13.932 1.00 72.22 H new ATOM 875 N ASN A 639 -9.083 -0.773 11.764 1.00 44.54 N ATOM 876 CA ASN A 639 -8.687 -2.112 11.348 1.00 41.51 C ATOM 877 C ASN A 639 -8.977 -2.355 9.861 1.00 61.33 C ATOM 878 O ASN A 639 -9.111 -3.497 9.411 1.00 51.13 O ATOM 879 CB ASN A 639 -9.311 -3.187 12.277 1.00 51.13 C ATOM 880 CG ASN A 639 -8.699 -4.584 12.114 1.00 12.23 C ATOM 881 OD1 ASN A 639 -9.182 -5.416 11.357 1.00 11.21 O ATOM 882 ND2 ASN A 639 -7.624 -4.835 12.818 1.00 23.03 N ATOM 0 H ASN A 639 -8.285 -0.158 11.921 1.00 44.54 H new ATOM 0 HA ASN A 639 -7.606 -2.197 11.454 1.00 41.51 H new ATOM 0 HB2 ASN A 639 -9.194 -2.869 13.313 1.00 51.13 H new ATOM 0 HB3 ASN A 639 -10.382 -3.245 12.080 1.00 51.13 H new ATOM 0 HD21 ASN A 639 -7.166 -5.744 12.744 1.00 23.03 H new ATOM 0 HD22 ASN A 639 -7.244 -4.122 13.441 1.00 23.03 H new ATOM 889 N ASP A 640 -9.052 -1.284 9.077 1.00 21.11 N ATOM 890 CA ASP A 640 -9.147 -1.491 7.647 1.00 1.04 C ATOM 891 C ASP A 640 -7.779 -1.815 7.094 1.00 32.12 C ATOM 892 O ASP A 640 -6.764 -1.408 7.659 1.00 43.42 O ATOM 893 CB ASP A 640 -9.836 -0.366 6.838 1.00 60.12 C ATOM 894 CG ASP A 640 -9.184 0.998 6.857 1.00 35.14 C ATOM 895 OD1 ASP A 640 -8.100 1.136 6.331 1.00 11.14 O ATOM 896 OD2 ASP A 640 -9.842 1.956 7.332 1.00 2.42 O ATOM 0 H ASP A 640 -9.049 -0.314 9.391 1.00 21.11 H new ATOM 0 HA ASP A 640 -9.824 -2.335 7.520 1.00 1.04 H new ATOM 0 HB2 ASP A 640 -9.908 -0.692 5.800 1.00 60.12 H new ATOM 0 HB3 ASP A 640 -10.855 -0.258 7.209 1.00 60.12 H new ATOM 901 N GLN A 641 -7.756 -2.564 6.032 1.00 61.41 N ATOM 902 CA GLN A 641 -6.531 -3.050 5.439 1.00 31.43 C ATOM 903 C GLN A 641 -6.011 -2.123 4.354 1.00 2.51 C ATOM 904 O GLN A 641 -6.644 -1.950 3.313 1.00 33.31 O ATOM 905 CB GLN A 641 -6.762 -4.481 4.906 1.00 12.23 C ATOM 906 CG GLN A 641 -5.669 -5.044 4.001 1.00 71.22 C ATOM 907 CD GLN A 641 -4.277 -5.036 4.594 1.00 63.04 C ATOM 908 OE1 GLN A 641 -4.084 -5.139 5.784 1.00 34.42 O ATOM 909 NE2 GLN A 641 -3.301 -4.914 3.738 1.00 14.11 N ATOM 0 H GLN A 641 -8.598 -2.863 5.540 1.00 61.41 H new ATOM 0 HA GLN A 641 -5.757 -3.074 6.206 1.00 31.43 H new ATOM 0 HB2 GLN A 641 -6.880 -5.150 5.758 1.00 12.23 H new ATOM 0 HB3 GLN A 641 -7.703 -4.495 4.357 1.00 12.23 H new ATOM 0 HG2 GLN A 641 -5.929 -6.069 3.738 1.00 71.22 H new ATOM 0 HG3 GLN A 641 -5.655 -4.471 3.074 1.00 71.22 H new ATOM 0 HE21 GLN A 641 -3.504 -4.830 2.742 1.00 14.11 H new ATOM 0 HE22 GLN A 641 -2.335 -4.903 4.064 1.00 14.11 H new ATOM 918 N LEU A 642 -4.857 -1.542 4.600 1.00 4.45 N ATOM 919 CA LEU A 642 -4.213 -0.678 3.642 1.00 52.24 C ATOM 920 C LEU A 642 -3.565 -1.513 2.544 1.00 15.42 C ATOM 921 O LEU A 642 -2.569 -2.214 2.763 1.00 43.34 O ATOM 922 CB LEU A 642 -3.192 0.299 4.303 1.00 30.14 C ATOM 923 CG LEU A 642 -3.741 1.434 5.184 1.00 63.02 C ATOM 924 CD1 LEU A 642 -4.448 0.904 6.416 1.00 63.11 C ATOM 925 CD2 LEU A 642 -2.617 2.372 5.577 1.00 3.41 C ATOM 0 H LEU A 642 -4.340 -1.657 5.472 1.00 4.45 H new ATOM 0 HA LEU A 642 -4.981 -0.046 3.196 1.00 52.24 H new ATOM 0 HB2 LEU A 642 -2.509 -0.294 4.911 1.00 30.14 H new ATOM 0 HB3 LEU A 642 -2.600 0.751 3.507 1.00 30.14 H new ATOM 0 HG LEU A 642 -4.480 1.982 4.600 1.00 63.02 H new ATOM 0 HD11 LEU A 642 -4.820 1.739 7.010 1.00 63.11 H new ATOM 0 HD12 LEU A 642 -5.284 0.274 6.113 1.00 63.11 H new ATOM 0 HD13 LEU A 642 -3.749 0.318 7.013 1.00 63.11 H new ATOM 0 HD21 LEU A 642 -3.013 3.173 6.201 1.00 3.41 H new ATOM 0 HD22 LEU A 642 -1.860 1.820 6.133 1.00 3.41 H new ATOM 0 HD23 LEU A 642 -2.169 2.799 4.680 1.00 3.41 H new ATOM 937 N ILE A 643 -4.149 -1.438 1.375 1.00 72.41 N ATOM 938 CA ILE A 643 -3.731 -2.213 0.226 1.00 61.35 C ATOM 939 C ILE A 643 -2.647 -1.484 -0.521 1.00 71.43 C ATOM 940 O ILE A 643 -1.571 -2.025 -0.786 1.00 73.22 O ATOM 941 CB ILE A 643 -4.933 -2.421 -0.732 1.00 0.21 C ATOM 942 CG1 ILE A 643 -6.086 -3.113 -0.005 1.00 15.32 C ATOM 943 CG2 ILE A 643 -4.527 -3.210 -1.981 1.00 2.12 C ATOM 944 CD1 ILE A 643 -5.793 -4.538 0.428 1.00 53.14 C ATOM 0 H ILE A 643 -4.943 -0.826 1.188 1.00 72.41 H new ATOM 0 HA ILE A 643 -3.358 -3.176 0.574 1.00 61.35 H new ATOM 0 HB ILE A 643 -5.270 -1.438 -1.060 1.00 0.21 H new ATOM 0 HG12 ILE A 643 -6.348 -2.526 0.875 1.00 15.32 H new ATOM 0 HG13 ILE A 643 -6.959 -3.117 -0.657 1.00 15.32 H new ATOM 0 HG21 ILE A 643 -5.394 -3.337 -2.629 1.00 2.12 H new ATOM 0 HG22 ILE A 643 -3.749 -2.667 -2.518 1.00 2.12 H new ATOM 0 HG23 ILE A 643 -4.149 -4.189 -1.686 1.00 2.12 H new ATOM 0 HD11 ILE A 643 -6.665 -4.951 0.935 1.00 53.14 H new ATOM 0 HD12 ILE A 643 -5.562 -5.144 -0.448 1.00 53.14 H new ATOM 0 HD13 ILE A 643 -4.941 -4.544 1.108 1.00 53.14 H new ATOM 956 N ALA A 644 -2.932 -0.262 -0.863 1.00 70.35 N ATOM 957 CA ALA A 644 -2.015 0.548 -1.614 1.00 34.04 C ATOM 958 C ALA A 644 -1.929 1.918 -1.012 1.00 60.11 C ATOM 959 O ALA A 644 -2.936 2.462 -0.542 1.00 33.53 O ATOM 960 CB ALA A 644 -2.455 0.628 -3.071 1.00 3.15 C ATOM 0 H ALA A 644 -3.809 0.203 -0.629 1.00 70.35 H new ATOM 0 HA ALA A 644 -1.026 0.091 -1.579 1.00 34.04 H new ATOM 0 HB1 ALA A 644 -1.752 1.245 -3.630 1.00 3.15 H new ATOM 0 HB2 ALA A 644 -2.479 -0.374 -3.499 1.00 3.15 H new ATOM 0 HB3 ALA A 644 -3.450 1.070 -3.127 1.00 3.15 H new ATOM 966 N VAL A 645 -0.747 2.481 -1.022 1.00 62.25 N ATOM 967 CA VAL A 645 -0.547 3.762 -0.459 1.00 4.32 C ATOM 968 C VAL A 645 0.120 4.701 -1.448 1.00 73.14 C ATOM 969 O VAL A 645 1.225 4.440 -1.965 1.00 24.13 O ATOM 970 CB VAL A 645 0.257 3.735 0.873 1.00 31.21 C ATOM 971 CG1 VAL A 645 1.719 3.313 0.679 1.00 52.34 C ATOM 972 CG2 VAL A 645 0.137 5.078 1.563 1.00 62.03 C ATOM 0 H VAL A 645 0.089 2.055 -1.422 1.00 62.25 H new ATOM 0 HA VAL A 645 -1.543 4.135 -0.222 1.00 4.32 H new ATOM 0 HB VAL A 645 -0.178 2.969 1.515 1.00 31.21 H new ATOM 0 HG11 VAL A 645 2.229 3.313 1.643 1.00 52.34 H new ATOM 0 HG12 VAL A 645 1.755 2.312 0.249 1.00 52.34 H new ATOM 0 HG13 VAL A 645 2.214 4.014 0.007 1.00 52.34 H new ATOM 0 HG21 VAL A 645 0.700 5.059 2.496 1.00 62.03 H new ATOM 0 HG22 VAL A 645 0.536 5.857 0.914 1.00 62.03 H new ATOM 0 HG23 VAL A 645 -0.912 5.285 1.776 1.00 62.03 H new ATOM 982 N ASN A 646 -0.588 5.755 -1.738 1.00 51.44 N ATOM 983 CA ASN A 646 -0.132 6.866 -2.540 1.00 14.20 C ATOM 984 C ASN A 646 0.443 6.359 -3.851 1.00 34.20 C ATOM 985 O ASN A 646 1.521 6.738 -4.261 1.00 54.22 O ATOM 986 CB ASN A 646 0.893 7.674 -1.733 1.00 31.44 C ATOM 987 CG ASN A 646 1.083 9.071 -2.270 1.00 74.22 C ATOM 988 OD1 ASN A 646 0.191 9.628 -2.900 1.00 11.04 O ATOM 989 ND2 ASN A 646 2.172 9.679 -1.944 1.00 41.32 N ATOM 0 H ASN A 646 -1.546 5.873 -1.408 1.00 51.44 H new ATOM 0 HA ASN A 646 -0.965 7.523 -2.789 1.00 14.20 H new ATOM 0 HB2 ASN A 646 0.570 7.729 -0.694 1.00 31.44 H new ATOM 0 HB3 ASN A 646 1.850 7.152 -1.742 1.00 31.44 H new ATOM 0 HD21 ASN A 646 2.311 10.654 -2.211 1.00 41.32 H new ATOM 0 HD22 ASN A 646 2.894 9.185 -1.419 1.00 41.32 H new ATOM 996 N GLY A 647 -0.299 5.473 -4.493 1.00 63.42 N ATOM 997 CA GLY A 647 0.160 4.913 -5.739 1.00 52.03 C ATOM 998 C GLY A 647 0.662 3.474 -5.649 1.00 43.11 C ATOM 999 O GLY A 647 0.207 2.615 -6.412 1.00 11.31 O ATOM 0 H GLY A 647 -1.207 5.134 -4.174 1.00 63.42 H new ATOM 0 HA2 GLY A 647 -0.655 4.954 -6.461 1.00 52.03 H new ATOM 0 HA3 GLY A 647 0.963 5.539 -6.128 1.00 52.03 H new ATOM 1003 N GLU A 648 1.569 3.199 -4.728 1.00 41.42 N ATOM 1004 CA GLU A 648 2.188 1.880 -4.638 1.00 1.20 C ATOM 1005 C GLU A 648 1.353 0.915 -3.818 1.00 2.32 C ATOM 1006 O GLU A 648 0.785 1.285 -2.806 1.00 31.23 O ATOM 1007 CB GLU A 648 3.585 1.965 -4.024 1.00 62.21 C ATOM 1008 CG GLU A 648 4.254 0.607 -3.923 1.00 72.52 C ATOM 1009 CD GLU A 648 5.589 0.624 -3.263 1.00 4.55 C ATOM 1010 OE1 GLU A 648 6.523 1.259 -3.803 1.00 10.33 O ATOM 1011 OE2 GLU A 648 5.737 -0.002 -2.212 1.00 14.44 O ATOM 0 H GLU A 648 1.896 3.868 -4.031 1.00 41.42 H new ATOM 0 HA GLU A 648 2.258 1.505 -5.659 1.00 1.20 H new ATOM 0 HB2 GLU A 648 4.205 2.629 -4.627 1.00 62.21 H new ATOM 0 HB3 GLU A 648 3.516 2.408 -3.031 1.00 62.21 H new ATOM 0 HG2 GLU A 648 3.598 -0.067 -3.371 1.00 72.52 H new ATOM 0 HG3 GLU A 648 4.364 0.195 -4.926 1.00 72.52 H new ATOM 1018 N SER A 649 1.306 -0.316 -4.250 1.00 20.15 N ATOM 1019 CA SER A 649 0.622 -1.344 -3.534 1.00 12.54 C ATOM 1020 C SER A 649 1.545 -1.923 -2.456 1.00 30.20 C ATOM 1021 O SER A 649 2.613 -2.444 -2.765 1.00 33.41 O ATOM 1022 CB SER A 649 0.203 -2.436 -4.502 1.00 52.52 C ATOM 1023 OG SER A 649 -0.620 -1.905 -5.534 1.00 4.50 O ATOM 0 H SER A 649 1.746 -0.630 -5.115 1.00 20.15 H new ATOM 0 HA SER A 649 -0.265 -0.929 -3.054 1.00 12.54 H new ATOM 0 HB2 SER A 649 1.087 -2.901 -4.938 1.00 52.52 H new ATOM 0 HB3 SER A 649 -0.336 -3.217 -3.966 1.00 52.52 H new ATOM 0 HG SER A 649 -0.878 -2.623 -6.149 1.00 4.50 H new ATOM 1029 N LEU A 650 1.132 -1.832 -1.204 1.00 63.43 N ATOM 1030 CA LEU A 650 1.920 -2.366 -0.099 1.00 11.44 C ATOM 1031 C LEU A 650 1.716 -3.843 0.002 1.00 50.31 C ATOM 1032 O LEU A 650 2.544 -4.561 0.569 1.00 23.13 O ATOM 1033 CB LEU A 650 1.530 -1.729 1.225 1.00 34.45 C ATOM 1034 CG LEU A 650 1.763 -0.225 1.359 1.00 24.10 C ATOM 1035 CD1 LEU A 650 1.320 0.259 2.734 1.00 72.20 C ATOM 1036 CD2 LEU A 650 3.233 0.115 1.116 1.00 3.40 C ATOM 0 H LEU A 650 0.255 -1.393 -0.924 1.00 63.43 H new ATOM 0 HA LEU A 650 2.966 -2.138 -0.302 1.00 11.44 H new ATOM 0 HB2 LEU A 650 0.472 -1.926 1.399 1.00 34.45 H new ATOM 0 HB3 LEU A 650 2.082 -2.231 2.020 1.00 34.45 H new ATOM 0 HG LEU A 650 1.166 0.286 0.604 1.00 24.10 H new ATOM 0 HD11 LEU A 650 1.492 1.332 2.815 1.00 72.20 H new ATOM 0 HD12 LEU A 650 0.259 0.051 2.869 1.00 72.20 H new ATOM 0 HD13 LEU A 650 1.892 -0.259 3.504 1.00 72.20 H new ATOM 0 HD21 LEU A 650 3.379 1.191 1.216 1.00 3.40 H new ATOM 0 HD22 LEU A 650 3.852 -0.405 1.847 1.00 3.40 H new ATOM 0 HD23 LEU A 650 3.518 -0.198 0.111 1.00 3.40 H new ATOM 1048 N LEU A 651 0.599 -4.293 -0.536 1.00 64.15 N ATOM 1049 CA LEU A 651 0.267 -5.688 -0.544 1.00 43.35 C ATOM 1050 C LEU A 651 1.239 -6.390 -1.497 1.00 32.51 C ATOM 1051 O LEU A 651 1.039 -6.411 -2.724 1.00 62.24 O ATOM 1052 CB LEU A 651 -1.223 -5.873 -0.965 1.00 15.44 C ATOM 1053 CG LEU A 651 -1.905 -7.257 -0.740 1.00 22.23 C ATOM 1054 CD1 LEU A 651 -3.373 -7.182 -1.138 1.00 32.34 C ATOM 1055 CD2 LEU A 651 -1.225 -8.383 -1.512 1.00 61.02 C ATOM 0 H LEU A 651 -0.099 -3.694 -0.978 1.00 64.15 H new ATOM 0 HA LEU A 651 0.367 -6.130 0.447 1.00 43.35 H new ATOM 0 HB2 LEU A 651 -1.811 -5.126 -0.432 1.00 15.44 H new ATOM 0 HB3 LEU A 651 -1.297 -5.638 -2.027 1.00 15.44 H new ATOM 0 HG LEU A 651 -1.811 -7.488 0.321 1.00 22.23 H new ATOM 0 HD11 LEU A 651 -3.843 -8.152 -0.978 1.00 32.34 H new ATOM 0 HD12 LEU A 651 -3.877 -6.430 -0.530 1.00 32.34 H new ATOM 0 HD13 LEU A 651 -3.451 -6.910 -2.191 1.00 32.34 H new ATOM 0 HD21 LEU A 651 -1.743 -9.322 -1.317 1.00 61.02 H new ATOM 0 HD22 LEU A 651 -1.259 -8.165 -2.579 1.00 61.02 H new ATOM 0 HD23 LEU A 651 -0.186 -8.468 -1.192 1.00 61.02 H new ATOM 1067 N GLY A 652 2.304 -6.878 -0.931 1.00 11.23 N ATOM 1068 CA GLY A 652 3.335 -7.548 -1.675 1.00 55.34 C ATOM 1069 C GLY A 652 4.607 -7.605 -0.873 1.00 22.22 C ATOM 1070 O GLY A 652 5.351 -8.591 -0.919 1.00 31.22 O ATOM 0 H GLY A 652 2.485 -6.822 0.071 1.00 11.23 H new ATOM 0 HA2 GLY A 652 3.012 -8.558 -1.929 1.00 55.34 H new ATOM 0 HA3 GLY A 652 3.513 -7.025 -2.615 1.00 55.34 H new ATOM 1074 N LYS A 653 4.859 -6.556 -0.132 1.00 11.04 N ATOM 1075 CA LYS A 653 6.007 -6.503 0.736 1.00 22.41 C ATOM 1076 C LYS A 653 5.581 -6.706 2.194 1.00 24.04 C ATOM 1077 O LYS A 653 4.419 -6.472 2.540 1.00 14.45 O ATOM 1078 CB LYS A 653 6.814 -5.197 0.534 1.00 51.15 C ATOM 1079 CG LYS A 653 6.008 -3.900 0.675 1.00 32.21 C ATOM 1080 CD LYS A 653 6.899 -2.645 0.566 1.00 60.34 C ATOM 1081 CE LYS A 653 7.668 -2.545 -0.755 1.00 44.33 C ATOM 1082 NZ LYS A 653 6.781 -2.381 -1.920 1.00 73.11 N ATOM 0 H LYS A 653 4.277 -5.718 -0.113 1.00 11.04 H new ATOM 0 HA LYS A 653 6.678 -7.320 0.472 1.00 22.41 H new ATOM 0 HB2 LYS A 653 7.630 -5.178 1.256 1.00 51.15 H new ATOM 0 HB3 LYS A 653 7.266 -5.218 -0.458 1.00 51.15 H new ATOM 0 HG2 LYS A 653 5.240 -3.866 -0.097 1.00 32.21 H new ATOM 0 HG3 LYS A 653 5.494 -3.896 1.636 1.00 32.21 H new ATOM 0 HD2 LYS A 653 6.276 -1.758 0.681 1.00 60.34 H new ATOM 0 HD3 LYS A 653 7.611 -2.644 1.391 1.00 60.34 H new ATOM 0 HE2 LYS A 653 8.357 -1.701 -0.707 1.00 44.33 H new ATOM 0 HE3 LYS A 653 8.272 -3.442 -0.887 1.00 44.33 H new ATOM 0 HZ1 LYS A 653 7.353 -2.200 -2.769 1.00 73.11 H new ATOM 0 HZ2 LYS A 653 6.223 -3.248 -2.056 1.00 73.11 H new ATOM 0 HZ3 LYS A 653 6.139 -1.579 -1.758 1.00 73.11 H new ATOM 1096 N ALA A 654 6.512 -7.167 3.030 1.00 24.51 N ATOM 1097 CA ALA A 654 6.242 -7.450 4.457 1.00 22.25 C ATOM 1098 C ALA A 654 5.877 -6.167 5.226 1.00 52.34 C ATOM 1099 O ALA A 654 6.069 -5.062 4.697 1.00 12.32 O ATOM 1100 CB ALA A 654 7.447 -8.134 5.084 1.00 33.30 C ATOM 0 H ALA A 654 7.473 -7.357 2.747 1.00 24.51 H new ATOM 0 HA ALA A 654 5.384 -8.119 4.518 1.00 22.25 H new ATOM 0 HB1 ALA A 654 7.243 -8.340 6.135 1.00 33.30 H new ATOM 0 HB2 ALA A 654 7.646 -9.070 4.563 1.00 33.30 H new ATOM 0 HB3 ALA A 654 8.317 -7.483 5.005 1.00 33.30 H new ATOM 1106 N ASN A 655 5.377 -6.309 6.480 1.00 3.52 N ATOM 1107 CA ASN A 655 4.914 -5.136 7.275 1.00 12.45 C ATOM 1108 C ASN A 655 5.963 -4.063 7.362 1.00 50.10 C ATOM 1109 O ASN A 655 5.703 -2.922 7.032 1.00 63.53 O ATOM 1110 CB ASN A 655 4.544 -5.507 8.733 1.00 15.43 C ATOM 1111 CG ASN A 655 3.331 -6.395 8.920 1.00 35.21 C ATOM 1112 OD1 ASN A 655 3.259 -7.146 9.884 1.00 32.53 O ATOM 1113 ND2 ASN A 655 2.368 -6.311 8.032 1.00 51.53 N ATOM 0 H ASN A 655 5.284 -7.205 6.958 1.00 3.52 H new ATOM 0 HA ASN A 655 4.033 -4.778 6.742 1.00 12.45 H new ATOM 0 HB2 ASN A 655 5.402 -6.003 9.187 1.00 15.43 H new ATOM 0 HB3 ASN A 655 4.379 -4.584 9.288 1.00 15.43 H new ATOM 0 HD21 ASN A 655 1.529 -6.882 8.134 1.00 51.53 H new ATOM 0 HD22 ASN A 655 2.459 -5.675 7.240 1.00 51.53 H new ATOM 1120 N GLN A 656 7.170 -4.446 7.728 1.00 73.21 N ATOM 1121 CA GLN A 656 8.246 -3.485 7.939 1.00 33.25 C ATOM 1122 C GLN A 656 8.588 -2.778 6.653 1.00 2.14 C ATOM 1123 O GLN A 656 8.748 -1.570 6.628 1.00 2.11 O ATOM 1124 CB GLN A 656 9.476 -4.177 8.526 1.00 2.32 C ATOM 1125 CG GLN A 656 9.234 -4.901 9.857 1.00 23.35 C ATOM 1126 CD GLN A 656 9.058 -4.015 11.104 1.00 73.31 C ATOM 1127 OE1 GLN A 656 9.398 -4.444 12.204 1.00 51.22 O ATOM 1128 NE2 GLN A 656 8.557 -2.808 10.971 1.00 74.45 N ATOM 0 H GLN A 656 7.436 -5.418 7.887 1.00 73.21 H new ATOM 0 HA GLN A 656 7.904 -2.737 8.654 1.00 33.25 H new ATOM 0 HB2 GLN A 656 9.851 -4.898 7.800 1.00 2.32 H new ATOM 0 HB3 GLN A 656 10.259 -3.433 8.671 1.00 2.32 H new ATOM 0 HG2 GLN A 656 8.343 -5.520 9.751 1.00 23.35 H new ATOM 0 HG3 GLN A 656 10.071 -5.576 10.034 1.00 23.35 H new ATOM 0 HE21 GLN A 656 8.280 -2.469 10.049 1.00 74.45 H new ATOM 0 HE22 GLN A 656 8.445 -2.209 11.789 1.00 74.45 H new ATOM 1137 N GLU A 657 8.641 -3.539 5.585 1.00 63.35 N ATOM 1138 CA GLU A 657 8.947 -3.012 4.270 1.00 43.21 C ATOM 1139 C GLU A 657 7.882 -2.011 3.862 1.00 35.32 C ATOM 1140 O GLU A 657 8.181 -0.912 3.388 1.00 21.25 O ATOM 1141 CB GLU A 657 8.978 -4.156 3.264 1.00 51.52 C ATOM 1142 CG GLU A 657 10.006 -5.224 3.560 1.00 74.20 C ATOM 1143 CD GLU A 657 11.411 -4.694 3.498 1.00 63.14 C ATOM 1144 OE1 GLU A 657 11.970 -4.632 2.393 1.00 50.25 O ATOM 1145 OE2 GLU A 657 11.975 -4.328 4.551 1.00 34.03 O ATOM 0 H GLU A 657 8.473 -4.545 5.601 1.00 63.35 H new ATOM 0 HA GLU A 657 9.918 -2.517 4.294 1.00 43.21 H new ATOM 0 HB2 GLU A 657 7.992 -4.619 3.229 1.00 51.52 H new ATOM 0 HB3 GLU A 657 9.173 -3.746 2.273 1.00 51.52 H new ATOM 0 HG2 GLU A 657 9.820 -5.640 4.550 1.00 74.20 H new ATOM 0 HG3 GLU A 657 9.896 -6.040 2.846 1.00 74.20 H new ATOM 1152 N ALA A 658 6.637 -2.397 4.073 1.00 2.14 N ATOM 1153 CA ALA A 658 5.500 -1.585 3.733 1.00 2.12 C ATOM 1154 C ALA A 658 5.491 -0.290 4.513 1.00 70.13 C ATOM 1155 O ALA A 658 5.247 0.754 3.960 1.00 42.02 O ATOM 1156 CB ALA A 658 4.213 -2.351 3.967 1.00 63.22 C ATOM 0 H ALA A 658 6.392 -3.295 4.490 1.00 2.14 H new ATOM 0 HA ALA A 658 5.575 -1.336 2.675 1.00 2.12 H new ATOM 0 HB1 ALA A 658 3.362 -1.722 3.705 1.00 63.22 H new ATOM 0 HB2 ALA A 658 4.206 -3.248 3.348 1.00 63.22 H new ATOM 0 HB3 ALA A 658 4.144 -2.635 5.017 1.00 63.22 H new ATOM 1162 N MET A 659 5.790 -0.372 5.790 1.00 11.33 N ATOM 1163 CA MET A 659 5.781 0.793 6.673 1.00 35.44 C ATOM 1164 C MET A 659 6.930 1.723 6.353 1.00 31.43 C ATOM 1165 O MET A 659 6.771 2.937 6.397 1.00 23.24 O ATOM 1166 CB MET A 659 5.806 0.341 8.122 1.00 71.43 C ATOM 1167 CG MET A 659 4.651 -0.588 8.420 1.00 1.03 C ATOM 1168 SD MET A 659 4.686 -1.340 10.041 1.00 0.10 S ATOM 1169 CE MET A 659 4.360 0.068 11.035 1.00 53.14 C ATOM 0 H MET A 659 6.047 -1.243 6.254 1.00 11.33 H new ATOM 0 HA MET A 659 4.862 1.356 6.510 1.00 35.44 H new ATOM 0 HB2 MET A 659 6.748 -0.165 8.333 1.00 71.43 H new ATOM 0 HB3 MET A 659 5.757 1.210 8.779 1.00 71.43 H new ATOM 0 HG2 MET A 659 3.720 -0.031 8.314 1.00 1.03 H new ATOM 0 HG3 MET A 659 4.637 -1.378 7.669 1.00 1.03 H new ATOM 0 HE1 MET A 659 5.078 0.109 11.854 1.00 53.14 H new ATOM 0 HE2 MET A 659 4.449 0.970 10.429 1.00 53.14 H new ATOM 0 HE3 MET A 659 3.350 0.001 11.440 1.00 53.14 H new ATOM 1179 N GLU A 660 8.081 1.163 6.004 1.00 22.21 N ATOM 1180 CA GLU A 660 9.217 1.971 5.587 1.00 75.04 C ATOM 1181 C GLU A 660 8.915 2.689 4.288 1.00 2.13 C ATOM 1182 O GLU A 660 9.238 3.881 4.127 1.00 20.23 O ATOM 1183 CB GLU A 660 10.484 1.134 5.464 1.00 73.34 C ATOM 1184 CG GLU A 660 10.958 0.565 6.780 1.00 44.45 C ATOM 1185 CD GLU A 660 11.219 1.646 7.784 1.00 51.33 C ATOM 1186 OE1 GLU A 660 12.345 2.167 7.821 1.00 62.14 O ATOM 1187 OE2 GLU A 660 10.293 2.012 8.539 1.00 63.12 O ATOM 0 H GLU A 660 8.251 0.157 6.002 1.00 22.21 H new ATOM 0 HA GLU A 660 9.393 2.719 6.360 1.00 75.04 H new ATOM 0 HB2 GLU A 660 10.304 0.316 4.767 1.00 73.34 H new ATOM 0 HB3 GLU A 660 11.276 1.748 5.036 1.00 73.34 H new ATOM 0 HG2 GLU A 660 10.208 -0.123 7.171 1.00 44.45 H new ATOM 0 HG3 GLU A 660 11.869 -0.013 6.621 1.00 44.45 H new ATOM 1194 N THR A 661 8.273 1.979 3.373 1.00 32.42 N ATOM 1195 CA THR A 661 7.849 2.559 2.122 1.00 22.44 C ATOM 1196 C THR A 661 6.788 3.619 2.386 1.00 0.51 C ATOM 1197 O THR A 661 6.829 4.717 1.828 1.00 51.15 O ATOM 1198 CB THR A 661 7.295 1.469 1.182 1.00 31.25 C ATOM 1199 OG1 THR A 661 8.357 0.559 0.812 1.00 53.12 O ATOM 1200 CG2 THR A 661 6.643 2.073 -0.058 1.00 72.31 C ATOM 0 H THR A 661 8.036 0.993 3.481 1.00 32.42 H new ATOM 0 HA THR A 661 8.707 3.024 1.637 1.00 22.44 H new ATOM 0 HB THR A 661 6.521 0.918 1.716 1.00 31.25 H new ATOM 0 HG1 THR A 661 8.512 -0.077 1.542 1.00 53.12 H new ATOM 0 HG21 THR A 661 6.265 1.274 -0.696 1.00 72.31 H new ATOM 0 HG22 THR A 661 5.818 2.719 0.243 1.00 72.31 H new ATOM 0 HG23 THR A 661 7.380 2.658 -0.608 1.00 72.31 H new ATOM 1208 N LEU A 662 5.872 3.279 3.266 1.00 34.10 N ATOM 1209 CA LEU A 662 4.796 4.142 3.684 1.00 73.24 C ATOM 1210 C LEU A 662 5.322 5.466 4.166 1.00 45.21 C ATOM 1211 O LEU A 662 4.954 6.492 3.619 1.00 73.20 O ATOM 1212 CB LEU A 662 3.978 3.443 4.782 1.00 50.11 C ATOM 1213 CG LEU A 662 2.851 4.222 5.456 1.00 53.21 C ATOM 1214 CD1 LEU A 662 1.820 4.650 4.453 1.00 70.21 C ATOM 1215 CD2 LEU A 662 2.213 3.376 6.540 1.00 44.33 C ATOM 0 H LEU A 662 5.857 2.367 3.722 1.00 34.10 H new ATOM 0 HA LEU A 662 4.149 4.341 2.830 1.00 73.24 H new ATOM 0 HB2 LEU A 662 3.545 2.541 4.350 1.00 50.11 H new ATOM 0 HB3 LEU A 662 4.672 3.123 5.560 1.00 50.11 H new ATOM 0 HG LEU A 662 3.274 5.119 5.908 1.00 53.21 H new ATOM 0 HD11 LEU A 662 1.028 5.203 4.958 1.00 70.21 H new ATOM 0 HD12 LEU A 662 2.286 5.288 3.702 1.00 70.21 H new ATOM 0 HD13 LEU A 662 1.396 3.770 3.969 1.00 70.21 H new ATOM 0 HD21 LEU A 662 1.410 3.939 7.016 1.00 44.33 H new ATOM 0 HD22 LEU A 662 1.806 2.466 6.099 1.00 44.33 H new ATOM 0 HD23 LEU A 662 2.963 3.114 7.286 1.00 44.33 H new ATOM 1227 N ARG A 663 6.226 5.435 5.140 1.00 70.10 N ATOM 1228 CA ARG A 663 6.772 6.662 5.725 1.00 20.11 C ATOM 1229 C ARG A 663 7.358 7.558 4.651 1.00 60.52 C ATOM 1230 O ARG A 663 7.107 8.764 4.627 1.00 25.23 O ATOM 1231 CB ARG A 663 7.864 6.360 6.756 1.00 44.02 C ATOM 1232 CG ARG A 663 7.437 5.478 7.903 1.00 14.53 C ATOM 1233 CD ARG A 663 8.547 5.336 8.950 1.00 34.23 C ATOM 1234 NE ARG A 663 9.787 4.750 8.424 1.00 54.50 N ATOM 1235 CZ ARG A 663 10.914 5.445 8.180 1.00 54.44 C ATOM 1236 NH1 ARG A 663 10.929 6.772 8.308 1.00 4.34 N ATOM 1237 NH2 ARG A 663 12.011 4.814 7.814 1.00 22.31 N ATOM 0 H ARG A 663 6.598 4.575 5.543 1.00 70.10 H new ATOM 0 HA ARG A 663 5.944 7.168 6.220 1.00 20.11 H new ATOM 0 HB2 ARG A 663 8.702 5.885 6.246 1.00 44.02 H new ATOM 0 HB3 ARG A 663 8.230 7.303 7.161 1.00 44.02 H new ATOM 0 HG2 ARG A 663 6.546 5.896 8.371 1.00 14.53 H new ATOM 0 HG3 ARG A 663 7.166 4.493 7.524 1.00 14.53 H new ATOM 0 HD2 ARG A 663 8.769 6.319 9.366 1.00 34.23 H new ATOM 0 HD3 ARG A 663 8.183 4.717 9.770 1.00 34.23 H new ATOM 0 HE ARG A 663 9.795 3.749 8.230 1.00 54.50 H new ATOM 0 HH11 ARG A 663 10.083 7.267 8.592 1.00 4.34 H new ATOM 0 HH12 ARG A 663 11.786 7.293 8.122 1.00 4.34 H new ATOM 0 HH21 ARG A 663 12.007 3.799 7.715 1.00 22.31 H new ATOM 0 HH22 ARG A 663 12.865 5.341 7.629 1.00 22.31 H new ATOM 1251 N ARG A 664 8.107 6.961 3.754 1.00 21.34 N ATOM 1252 CA ARG A 664 8.757 7.699 2.705 1.00 74.43 C ATOM 1253 C ARG A 664 7.756 8.249 1.707 1.00 61.23 C ATOM 1254 O ARG A 664 7.735 9.427 1.432 1.00 70.34 O ATOM 1255 CB ARG A 664 9.734 6.798 1.958 1.00 13.24 C ATOM 1256 CG ARG A 664 10.459 7.497 0.824 1.00 72.05 C ATOM 1257 CD ARG A 664 11.266 6.524 0.007 1.00 42.23 C ATOM 1258 NE ARG A 664 11.991 7.199 -1.068 1.00 73.12 N ATOM 1259 CZ ARG A 664 12.351 6.628 -2.218 1.00 43.25 C ATOM 1260 NH1 ARG A 664 11.939 5.396 -2.517 1.00 3.02 N ATOM 1261 NH2 ARG A 664 13.094 7.304 -3.089 1.00 73.21 N ATOM 0 H ARG A 664 8.280 5.956 3.733 1.00 21.34 H new ATOM 0 HA ARG A 664 9.285 8.530 3.174 1.00 74.43 H new ATOM 0 HB2 ARG A 664 10.469 6.410 2.663 1.00 13.24 H new ATOM 0 HB3 ARG A 664 9.192 5.941 1.558 1.00 13.24 H new ATOM 0 HG2 ARG A 664 9.735 8.001 0.183 1.00 72.05 H new ATOM 0 HG3 ARG A 664 11.116 8.267 1.229 1.00 72.05 H new ATOM 0 HD2 ARG A 664 11.973 6.003 0.653 1.00 42.23 H new ATOM 0 HD3 ARG A 664 10.605 5.768 -0.417 1.00 42.23 H new ATOM 0 HE ARG A 664 12.240 8.178 -0.928 1.00 73.12 H new ATOM 0 HH11 ARG A 664 11.345 4.885 -1.864 1.00 3.02 H new ATOM 0 HH12 ARG A 664 12.218 4.965 -3.398 1.00 3.02 H new ATOM 0 HH21 ARG A 664 13.388 8.258 -2.877 1.00 73.21 H new ATOM 0 HH22 ARG A 664 13.370 6.869 -3.969 1.00 73.21 H new ATOM 1275 N SER A 665 6.900 7.413 1.212 1.00 25.54 N ATOM 1276 CA SER A 665 6.054 7.792 0.122 1.00 43.24 C ATOM 1277 C SER A 665 4.889 8.660 0.535 1.00 2.45 C ATOM 1278 O SER A 665 4.430 9.480 -0.246 1.00 34.41 O ATOM 1279 CB SER A 665 5.615 6.576 -0.648 1.00 42.54 C ATOM 1280 OG SER A 665 6.764 5.862 -1.089 1.00 71.24 O ATOM 0 H SER A 665 6.767 6.458 1.546 1.00 25.54 H new ATOM 0 HA SER A 665 6.650 8.421 -0.539 1.00 43.24 H new ATOM 0 HB2 SER A 665 4.994 5.937 -0.020 1.00 42.54 H new ATOM 0 HB3 SER A 665 5.006 6.872 -1.502 1.00 42.54 H new ATOM 0 HG SER A 665 7.115 5.319 -0.352 1.00 71.24 H new ATOM 1286 N MET A 666 4.419 8.516 1.752 1.00 2.31 N ATOM 1287 CA MET A 666 3.306 9.334 2.176 1.00 61.22 C ATOM 1288 C MET A 666 3.778 10.743 2.479 1.00 23.21 C ATOM 1289 O MET A 666 3.018 11.694 2.392 1.00 3.43 O ATOM 1290 CB MET A 666 2.511 8.694 3.350 1.00 75.15 C ATOM 1291 CG MET A 666 3.214 8.548 4.707 1.00 1.53 C ATOM 1292 SD MET A 666 3.525 10.101 5.563 1.00 61.12 S ATOM 1293 CE MET A 666 1.865 10.766 5.595 1.00 55.14 C ATOM 0 H MET A 666 4.776 7.861 2.448 1.00 2.31 H new ATOM 0 HA MET A 666 2.595 9.394 1.352 1.00 61.22 H new ATOM 0 HB2 MET A 666 1.609 9.287 3.504 1.00 75.15 H new ATOM 0 HB3 MET A 666 2.190 7.702 3.033 1.00 75.15 H new ATOM 0 HG2 MET A 666 2.606 7.910 5.349 1.00 1.53 H new ATOM 0 HG3 MET A 666 4.164 8.036 4.556 1.00 1.53 H new ATOM 0 HE1 MET A 666 1.779 11.564 4.858 1.00 55.14 H new ATOM 0 HE2 MET A 666 1.152 9.976 5.359 1.00 55.14 H new ATOM 0 HE3 MET A 666 1.651 11.163 6.587 1.00 55.14 H new ATOM 1303 N SER A 667 5.046 10.860 2.799 1.00 42.01 N ATOM 1304 CA SER A 667 5.632 12.128 3.102 1.00 72.54 C ATOM 1305 C SER A 667 6.231 12.740 1.830 1.00 63.05 C ATOM 1306 O SER A 667 5.830 13.818 1.399 1.00 44.44 O ATOM 1307 CB SER A 667 6.718 11.932 4.171 1.00 52.11 C ATOM 1308 OG SER A 667 7.311 13.156 4.567 1.00 1.14 O ATOM 0 H SER A 667 5.693 10.074 2.854 1.00 42.01 H new ATOM 0 HA SER A 667 4.872 12.809 3.484 1.00 72.54 H new ATOM 0 HB2 SER A 667 6.282 11.443 5.043 1.00 52.11 H new ATOM 0 HB3 SER A 667 7.489 11.266 3.784 1.00 52.11 H new ATOM 0 HG SER A 667 7.994 12.983 5.248 1.00 1.14 H new ATOM 1314 N THR A 668 7.132 12.009 1.201 1.00 33.03 N ATOM 1315 CA THR A 668 7.849 12.503 0.052 1.00 42.21 C ATOM 1316 C THR A 668 6.943 12.606 -1.177 1.00 32.35 C ATOM 1317 O THR A 668 6.722 13.701 -1.714 1.00 43.52 O ATOM 1318 CB THR A 668 9.044 11.593 -0.236 1.00 13.30 C ATOM 1319 OG1 THR A 668 9.854 11.499 0.953 1.00 44.24 O ATOM 1320 CG2 THR A 668 9.886 12.118 -1.387 1.00 42.20 C ATOM 0 H THR A 668 7.383 11.059 1.475 1.00 33.03 H new ATOM 0 HA THR A 668 8.205 13.508 0.277 1.00 42.21 H new ATOM 0 HB THR A 668 8.669 10.611 -0.523 1.00 13.30 H new ATOM 0 HG1 THR A 668 9.476 10.823 1.554 1.00 44.24 H new ATOM 0 HG21 THR A 668 10.725 11.444 -1.561 1.00 42.20 H new ATOM 0 HG22 THR A 668 9.275 12.177 -2.288 1.00 42.20 H new ATOM 0 HG23 THR A 668 10.263 13.110 -1.139 1.00 42.20 H new ATOM 1328 N GLU A 669 6.390 11.486 -1.595 1.00 51.35 N ATOM 1329 CA GLU A 669 5.543 11.457 -2.759 1.00 1.42 C ATOM 1330 C GLU A 669 4.190 12.131 -2.471 1.00 52.10 C ATOM 1331 O GLU A 669 3.557 12.693 -3.369 1.00 61.33 O ATOM 1332 CB GLU A 669 5.397 10.014 -3.275 1.00 31.34 C ATOM 1333 CG GLU A 669 4.415 9.858 -4.407 1.00 73.25 C ATOM 1334 CD GLU A 669 4.394 8.472 -5.004 1.00 73.31 C ATOM 1335 OE1 GLU A 669 4.461 7.474 -4.256 1.00 70.12 O ATOM 1336 OE2 GLU A 669 4.350 8.363 -6.250 1.00 70.41 O ATOM 0 H GLU A 669 6.516 10.582 -1.140 1.00 51.35 H new ATOM 0 HA GLU A 669 6.009 12.036 -3.557 1.00 1.42 H new ATOM 0 HB2 GLU A 669 6.373 9.658 -3.604 1.00 31.34 H new ATOM 0 HB3 GLU A 669 5.086 9.375 -2.449 1.00 31.34 H new ATOM 0 HG2 GLU A 669 3.416 10.104 -4.047 1.00 73.25 H new ATOM 0 HG3 GLU A 669 4.658 10.577 -5.189 1.00 73.25 H new ATOM 1343 N GLY A 670 3.777 12.099 -1.209 1.00 25.42 N ATOM 1344 CA GLY A 670 2.535 12.733 -0.795 1.00 43.34 C ATOM 1345 C GLY A 670 2.567 14.218 -1.049 1.00 4.44 C ATOM 1346 O GLY A 670 1.705 14.756 -1.750 1.00 30.23 O ATOM 0 H GLY A 670 4.287 11.639 -0.455 1.00 25.42 H new ATOM 0 HA2 GLY A 670 1.699 12.288 -1.335 1.00 43.34 H new ATOM 0 HA3 GLY A 670 2.365 12.547 0.265 1.00 43.34 H new ATOM 1350 N ASN A 671 3.588 14.875 -0.523 1.00 31.31 N ATOM 1351 CA ASN A 671 3.758 16.318 -0.701 1.00 1.01 C ATOM 1352 C ASN A 671 4.088 16.654 -2.140 1.00 3.02 C ATOM 1353 O ASN A 671 3.921 17.792 -2.584 1.00 51.54 O ATOM 1354 CB ASN A 671 4.835 16.880 0.243 1.00 53.55 C ATOM 1355 CG ASN A 671 4.455 16.753 1.706 1.00 64.50 C ATOM 1356 OD1 ASN A 671 3.283 16.771 2.058 1.00 43.02 O ATOM 1357 ND2 ASN A 671 5.436 16.625 2.570 1.00 73.45 N ATOM 0 H ASN A 671 4.319 14.433 0.035 1.00 31.31 H new ATOM 0 HA ASN A 671 2.809 16.790 -0.446 1.00 1.01 H new ATOM 0 HB2 ASN A 671 5.774 16.355 0.069 1.00 53.55 H new ATOM 0 HB3 ASN A 671 5.008 17.930 0.006 1.00 53.55 H new ATOM 0 HD21 ASN A 671 5.231 16.537 3.565 1.00 73.45 H new ATOM 0 HD22 ASN A 671 6.403 16.613 2.246 1.00 73.45 H new ATOM 1364 N LYS A 672 4.554 15.666 -2.874 1.00 22.33 N ATOM 1365 CA LYS A 672 4.851 15.849 -4.270 1.00 30.04 C ATOM 1366 C LYS A 672 3.566 15.924 -5.085 1.00 44.52 C ATOM 1367 O LYS A 672 3.348 16.880 -5.833 1.00 32.25 O ATOM 1368 CB LYS A 672 5.761 14.732 -4.791 1.00 42.30 C ATOM 1369 CG LYS A 672 6.094 14.844 -6.275 1.00 23.52 C ATOM 1370 CD LYS A 672 6.743 16.183 -6.619 1.00 62.15 C ATOM 1371 CE LYS A 672 8.038 16.409 -5.856 1.00 4.24 C ATOM 1372 NZ LYS A 672 8.617 17.725 -6.149 1.00 52.12 N ATOM 0 H LYS A 672 4.734 14.726 -2.521 1.00 22.33 H new ATOM 0 HA LYS A 672 5.384 16.793 -4.381 1.00 30.04 H new ATOM 0 HB2 LYS A 672 6.689 14.737 -4.220 1.00 42.30 H new ATOM 0 HB3 LYS A 672 5.280 13.771 -4.609 1.00 42.30 H new ATOM 0 HG2 LYS A 672 6.765 14.033 -6.558 1.00 23.52 H new ATOM 0 HG3 LYS A 672 5.183 14.722 -6.861 1.00 23.52 H new ATOM 0 HD2 LYS A 672 6.943 16.223 -7.690 1.00 62.15 H new ATOM 0 HD3 LYS A 672 6.046 16.990 -6.395 1.00 62.15 H new ATOM 0 HE2 LYS A 672 7.850 16.324 -4.786 1.00 4.24 H new ATOM 0 HE3 LYS A 672 8.755 15.630 -6.116 1.00 4.24 H new ATOM 0 HZ1 LYS A 672 9.499 17.844 -5.611 1.00 52.12 H new ATOM 0 HZ2 LYS A 672 8.820 17.796 -7.167 1.00 52.12 H new ATOM 0 HZ3 LYS A 672 7.943 18.469 -5.877 1.00 52.12 H new ATOM 1386 N ARG A 673 2.717 14.928 -4.920 1.00 61.12 N ATOM 1387 CA ARG A 673 1.458 14.868 -5.642 1.00 53.02 C ATOM 1388 C ARG A 673 0.509 15.945 -5.164 1.00 33.14 C ATOM 1389 O ARG A 673 -0.297 16.458 -5.933 1.00 71.05 O ATOM 1390 CB ARG A 673 0.793 13.505 -5.470 1.00 32.10 C ATOM 1391 CG ARG A 673 1.592 12.333 -5.994 1.00 33.11 C ATOM 1392 CD ARG A 673 0.832 11.047 -5.783 1.00 15.21 C ATOM 1393 NE ARG A 673 1.544 9.881 -6.292 1.00 32.32 N ATOM 1394 CZ ARG A 673 0.960 8.730 -6.662 1.00 51.22 C ATOM 1395 NH1 ARG A 673 -0.370 8.570 -6.538 1.00 33.24 N ATOM 1396 NH2 ARG A 673 1.710 7.733 -7.106 1.00 62.44 N ATOM 0 H ARG A 673 2.877 14.144 -4.288 1.00 61.12 H new ATOM 0 HA ARG A 673 1.682 15.027 -6.697 1.00 53.02 H new ATOM 0 HB2 ARG A 673 0.595 13.345 -4.410 1.00 32.10 H new ATOM 0 HB3 ARG A 673 -0.172 13.522 -5.976 1.00 32.10 H new ATOM 0 HG2 ARG A 673 1.800 12.471 -7.055 1.00 33.11 H new ATOM 0 HG3 ARG A 673 2.554 12.283 -5.484 1.00 33.11 H new ATOM 0 HD2 ARG A 673 0.640 10.914 -4.718 1.00 15.21 H new ATOM 0 HD3 ARG A 673 -0.138 11.118 -6.275 1.00 15.21 H new ATOM 0 HE ARG A 673 2.559 9.944 -6.373 1.00 32.32 H new ATOM 0 HH11 ARG A 673 -0.942 9.326 -6.161 1.00 33.24 H new ATOM 0 HH12 ARG A 673 -0.807 7.693 -6.821 1.00 33.24 H new ATOM 0 HH21 ARG A 673 2.722 7.843 -7.165 1.00 62.44 H new ATOM 0 HH22 ARG A 673 1.275 6.855 -7.389 1.00 62.44 H new ATOM 1410 N GLY A 674 0.605 16.276 -3.901 1.00 53.11 N ATOM 1411 CA GLY A 674 -0.269 17.272 -3.312 1.00 50.21 C ATOM 1412 C GLY A 674 -1.306 16.604 -2.446 1.00 65.22 C ATOM 1413 O GLY A 674 -1.692 17.117 -1.382 1.00 41.51 O ATOM 0 H GLY A 674 1.282 15.871 -3.254 1.00 53.11 H new ATOM 0 HA2 GLY A 674 0.316 17.974 -2.717 1.00 50.21 H new ATOM 0 HA3 GLY A 674 -0.757 17.849 -4.097 1.00 50.21 H new ATOM 1417 N MET A 675 -1.751 15.461 -2.901 1.00 32.31 N ATOM 1418 CA MET A 675 -2.671 14.648 -2.177 1.00 30.43 C ATOM 1419 C MET A 675 -2.228 13.220 -2.265 1.00 72.21 C ATOM 1420 O MET A 675 -1.556 12.820 -3.227 1.00 10.23 O ATOM 1421 CB MET A 675 -4.131 14.802 -2.660 1.00 15.42 C ATOM 1422 CG MET A 675 -4.411 14.392 -4.088 1.00 20.32 C ATOM 1423 SD MET A 675 -6.148 14.634 -4.506 1.00 65.22 S ATOM 1424 CE MET A 675 -6.161 14.115 -6.207 1.00 32.53 C ATOM 0 H MET A 675 -1.474 15.070 -3.801 1.00 32.31 H new ATOM 0 HA MET A 675 -2.667 14.982 -1.140 1.00 30.43 H new ATOM 0 HB2 MET A 675 -4.772 14.214 -2.003 1.00 15.42 H new ATOM 0 HB3 MET A 675 -4.423 15.845 -2.540 1.00 15.42 H new ATOM 0 HG2 MET A 675 -3.786 14.974 -4.766 1.00 20.32 H new ATOM 0 HG3 MET A 675 -4.143 13.345 -4.228 1.00 20.32 H new ATOM 0 HE1 MET A 675 -7.182 13.883 -6.509 1.00 32.53 H new ATOM 0 HE2 MET A 675 -5.770 14.916 -6.835 1.00 32.53 H new ATOM 0 HE3 MET A 675 -5.538 13.228 -6.321 1.00 32.53 H new ATOM 1434 N ILE A 676 -2.605 12.472 -1.302 1.00 51.12 N ATOM 1435 CA ILE A 676 -2.215 11.112 -1.180 1.00 44.33 C ATOM 1436 C ILE A 676 -3.411 10.186 -1.407 1.00 23.31 C ATOM 1437 O ILE A 676 -4.501 10.427 -0.913 1.00 25.10 O ATOM 1438 CB ILE A 676 -1.540 10.865 0.203 1.00 30.20 C ATOM 1439 CG1 ILE A 676 -1.281 9.384 0.416 1.00 63.42 C ATOM 1440 CG2 ILE A 676 -2.378 11.443 1.322 1.00 62.22 C ATOM 1441 CD1 ILE A 676 -0.453 9.047 1.621 1.00 70.03 C ATOM 0 H ILE A 676 -3.213 12.794 -0.549 1.00 51.12 H new ATOM 0 HA ILE A 676 -1.479 10.883 -1.951 1.00 44.33 H new ATOM 0 HB ILE A 676 -0.578 11.377 0.212 1.00 30.20 H new ATOM 0 HG12 ILE A 676 -2.240 8.872 0.499 1.00 63.42 H new ATOM 0 HG13 ILE A 676 -0.784 8.987 -0.469 1.00 63.42 H new ATOM 0 HG21 ILE A 676 -1.887 11.258 2.277 1.00 62.22 H new ATOM 0 HG22 ILE A 676 -2.492 12.517 1.174 1.00 62.22 H new ATOM 0 HG23 ILE A 676 -3.360 10.971 1.322 1.00 62.22 H new ATOM 0 HD11 ILE A 676 -0.325 7.966 1.684 1.00 70.03 H new ATOM 0 HD12 ILE A 676 0.524 9.523 1.536 1.00 70.03 H new ATOM 0 HD13 ILE A 676 -0.955 9.406 2.519 1.00 70.03 H new ATOM 1453 N GLN A 677 -3.189 9.160 -2.179 1.00 1.42 N ATOM 1454 CA GLN A 677 -4.231 8.215 -2.562 1.00 5.03 C ATOM 1455 C GLN A 677 -4.111 6.904 -1.802 1.00 3.53 C ATOM 1456 O GLN A 677 -3.149 6.181 -1.957 1.00 3.13 O ATOM 1457 CB GLN A 677 -4.175 7.963 -4.066 1.00 50.11 C ATOM 1458 CG GLN A 677 -5.169 6.931 -4.544 1.00 61.25 C ATOM 1459 CD GLN A 677 -5.237 6.799 -6.056 1.00 72.14 C ATOM 1460 OE1 GLN A 677 -5.508 5.724 -6.580 1.00 3.05 O ATOM 1461 NE2 GLN A 677 -5.051 7.887 -6.763 1.00 21.42 N ATOM 0 H GLN A 677 -2.273 8.943 -2.571 1.00 1.42 H new ATOM 0 HA GLN A 677 -5.194 8.655 -2.303 1.00 5.03 H new ATOM 0 HB2 GLN A 677 -4.358 8.901 -4.590 1.00 50.11 H new ATOM 0 HB3 GLN A 677 -3.170 7.638 -4.334 1.00 50.11 H new ATOM 0 HG2 GLN A 677 -4.908 5.963 -4.116 1.00 61.25 H new ATOM 0 HG3 GLN A 677 -6.158 7.191 -4.166 1.00 61.25 H new ATOM 0 HE21 GLN A 677 -4.827 8.766 -6.297 1.00 21.42 H new ATOM 0 HE22 GLN A 677 -5.131 7.855 -7.779 1.00 21.42 H new ATOM 1470 N LEU A 678 -5.083 6.599 -1.005 1.00 54.02 N ATOM 1471 CA LEU A 678 -5.056 5.398 -0.206 1.00 43.44 C ATOM 1472 C LEU A 678 -6.096 4.433 -0.714 1.00 4.14 C ATOM 1473 O LEU A 678 -7.251 4.812 -0.900 1.00 74.14 O ATOM 1474 CB LEU A 678 -5.383 5.690 1.284 1.00 41.52 C ATOM 1475 CG LEU A 678 -4.577 6.770 2.023 1.00 41.43 C ATOM 1476 CD1 LEU A 678 -3.096 6.501 1.947 1.00 72.11 C ATOM 1477 CD2 LEU A 678 -4.932 8.176 1.541 1.00 2.40 C ATOM 0 H LEU A 678 -5.921 7.168 -0.883 1.00 54.02 H new ATOM 0 HA LEU A 678 -4.051 4.983 -0.281 1.00 43.44 H new ATOM 0 HB2 LEU A 678 -6.436 5.967 1.342 1.00 41.52 H new ATOM 0 HB3 LEU A 678 -5.267 4.757 1.836 1.00 41.52 H new ATOM 0 HG LEU A 678 -4.858 6.722 3.075 1.00 41.43 H new ATOM 0 HD11 LEU A 678 -2.556 7.284 2.480 1.00 72.11 H new ATOM 0 HD12 LEU A 678 -2.878 5.535 2.403 1.00 72.11 H new ATOM 0 HD13 LEU A 678 -2.781 6.489 0.903 1.00 72.11 H new ATOM 0 HD21 LEU A 678 -4.340 8.909 2.089 1.00 2.40 H new ATOM 0 HD22 LEU A 678 -4.718 8.260 0.476 1.00 2.40 H new ATOM 0 HD23 LEU A 678 -5.992 8.363 1.714 1.00 2.40 H new ATOM 1489 N ILE A 679 -5.706 3.215 -0.961 1.00 21.02 N ATOM 1490 CA ILE A 679 -6.669 2.196 -1.284 1.00 64.14 C ATOM 1491 C ILE A 679 -6.700 1.244 -0.132 1.00 53.11 C ATOM 1492 O ILE A 679 -5.683 0.611 0.193 1.00 31.25 O ATOM 1493 CB ILE A 679 -6.412 1.386 -2.620 1.00 73.44 C ATOM 1494 CG1 ILE A 679 -6.434 2.273 -3.877 1.00 5.13 C ATOM 1495 CG2 ILE A 679 -7.455 0.286 -2.775 1.00 44.14 C ATOM 1496 CD1 ILE A 679 -5.274 3.207 -4.012 1.00 63.12 C ATOM 0 H ILE A 679 -4.735 2.903 -0.946 1.00 21.02 H new ATOM 0 HA ILE A 679 -7.614 2.709 -1.461 1.00 64.14 H new ATOM 0 HB ILE A 679 -5.412 0.961 -2.533 1.00 73.44 H new ATOM 0 HG12 ILE A 679 -6.468 1.630 -4.756 1.00 5.13 H new ATOM 0 HG13 ILE A 679 -7.354 2.858 -3.874 1.00 5.13 H new ATOM 0 HG21 ILE A 679 -7.269 -0.265 -3.697 1.00 44.14 H new ATOM 0 HG22 ILE A 679 -7.394 -0.396 -1.927 1.00 44.14 H new ATOM 0 HG23 ILE A 679 -8.450 0.730 -2.812 1.00 44.14 H new ATOM 0 HD11 ILE A 679 -5.380 3.788 -4.928 1.00 63.12 H new ATOM 0 HD12 ILE A 679 -5.248 3.881 -3.155 1.00 63.12 H new ATOM 0 HD13 ILE A 679 -4.348 2.634 -4.051 1.00 63.12 H new ATOM 1508 N VAL A 680 -7.826 1.141 0.483 1.00 11.44 N ATOM 1509 CA VAL A 680 -7.986 0.289 1.620 1.00 31.41 C ATOM 1510 C VAL A 680 -9.079 -0.700 1.345 1.00 22.15 C ATOM 1511 O VAL A 680 -9.984 -0.437 0.539 1.00 44.43 O ATOM 1512 CB VAL A 680 -8.311 1.086 2.927 1.00 75.34 C ATOM 1513 CG1 VAL A 680 -7.166 2.013 3.296 1.00 12.03 C ATOM 1514 CG2 VAL A 680 -9.613 1.879 2.794 1.00 35.53 C ATOM 0 H VAL A 680 -8.670 1.646 0.214 1.00 11.44 H new ATOM 0 HA VAL A 680 -7.038 -0.223 1.785 1.00 31.41 H new ATOM 0 HB VAL A 680 -8.441 0.357 3.727 1.00 75.34 H new ATOM 0 HG11 VAL A 680 -7.416 2.555 4.208 1.00 12.03 H new ATOM 0 HG12 VAL A 680 -6.262 1.427 3.459 1.00 12.03 H new ATOM 0 HG13 VAL A 680 -6.997 2.723 2.486 1.00 12.03 H new ATOM 0 HG21 VAL A 680 -9.806 2.420 3.721 1.00 35.53 H new ATOM 0 HG22 VAL A 680 -9.524 2.589 1.972 1.00 35.53 H new ATOM 0 HG23 VAL A 680 -10.437 1.194 2.595 1.00 35.53 H new ATOM 1524 N ALA A 681 -9.002 -1.819 1.973 1.00 54.20 N ATOM 1525 CA ALA A 681 -9.966 -2.835 1.794 1.00 35.41 C ATOM 1526 C ALA A 681 -10.775 -2.970 3.051 1.00 51.54 C ATOM 1527 O ALA A 681 -10.233 -3.146 4.152 1.00 71.31 O ATOM 1528 CB ALA A 681 -9.291 -4.153 1.464 1.00 52.14 C ATOM 0 H ALA A 681 -8.259 -2.053 2.631 1.00 54.20 H new ATOM 0 HA ALA A 681 -10.620 -2.569 0.964 1.00 35.41 H new ATOM 0 HB1 ALA A 681 -10.048 -4.926 1.329 1.00 52.14 H new ATOM 0 HB2 ALA A 681 -8.714 -4.046 0.546 1.00 52.14 H new ATOM 0 HB3 ALA A 681 -8.626 -4.435 2.280 1.00 52.14 H new ATOM 1534 N ARG A 682 -12.046 -2.857 2.897 1.00 52.34 N ATOM 1535 CA ARG A 682 -12.957 -2.998 3.976 1.00 31.53 C ATOM 1536 C ARG A 682 -13.774 -4.214 3.739 1.00 32.23 C ATOM 1537 O ARG A 682 -14.399 -4.326 2.692 1.00 61.25 O ATOM 1538 CB ARG A 682 -13.931 -1.839 4.014 1.00 2.01 C ATOM 1539 CG ARG A 682 -14.969 -2.026 5.092 1.00 3.25 C ATOM 1540 CD ARG A 682 -16.148 -1.139 4.896 1.00 15.25 C ATOM 1541 NE ARG A 682 -17.130 -1.307 5.970 1.00 3.20 N ATOM 1542 CZ ARG A 682 -18.438 -1.054 5.852 1.00 3.43 C ATOM 1543 NH1 ARG A 682 -18.952 -0.727 4.668 1.00 52.03 N ATOM 1544 NH2 ARG A 682 -19.240 -1.172 6.910 1.00 65.12 N ATOM 0 H ARG A 682 -12.490 -2.660 2.000 1.00 52.34 H new ATOM 0 HA ARG A 682 -12.385 -3.045 4.903 1.00 31.53 H new ATOM 0 HB2 ARG A 682 -13.387 -0.911 4.188 1.00 2.01 H new ATOM 0 HB3 ARG A 682 -14.423 -1.744 3.046 1.00 2.01 H new ATOM 0 HG2 ARG A 682 -15.296 -3.066 5.103 1.00 3.25 H new ATOM 0 HG3 ARG A 682 -14.521 -1.823 6.065 1.00 3.25 H new ATOM 0 HD2 ARG A 682 -15.821 -0.100 4.860 1.00 15.25 H new ATOM 0 HD3 ARG A 682 -16.615 -1.360 3.936 1.00 15.25 H new ATOM 0 HE ARG A 682 -16.792 -1.641 6.873 1.00 3.20 H new ATOM 0 HH11 ARG A 682 -18.348 -0.669 3.848 1.00 52.03 H new ATOM 0 HH12 ARG A 682 -19.950 -0.535 4.581 1.00 52.03 H new ATOM 0 HH21 ARG A 682 -18.856 -1.456 7.812 1.00 65.12 H new ATOM 0 HH22 ARG A 682 -20.237 -0.979 6.818 1.00 65.12 H new ATOM 1839 N GLU B 780 3.904 -3.192 15.397 1.00 32.25 N ATOM 1840 CA GLU B 780 4.516 -2.181 14.583 1.00 20.43 C ATOM 1841 C GLU B 780 3.500 -1.143 14.185 1.00 22.15 C ATOM 1842 O GLU B 780 2.654 -1.385 13.339 1.00 40.42 O ATOM 1843 CB GLU B 780 5.238 -2.761 13.358 1.00 12.13 C ATOM 1844 CG GLU B 780 6.509 -3.555 13.668 1.00 1.21 C ATOM 1845 CD GLU B 780 6.291 -4.829 14.449 1.00 63.21 C ATOM 1846 OE1 GLU B 780 6.335 -4.791 15.706 1.00 73.51 O ATOM 1847 OE2 GLU B 780 6.111 -5.885 13.822 1.00 53.33 O ATOM 0 HA GLU B 780 5.286 -1.701 15.187 1.00 20.43 H new ATOM 0 HB2 GLU B 780 4.546 -3.409 12.821 1.00 12.13 H new ATOM 0 HB3 GLU B 780 5.495 -1.942 12.686 1.00 12.13 H new ATOM 0 HG2 GLU B 780 7.003 -3.803 12.728 1.00 1.21 H new ATOM 0 HG3 GLU B 780 7.191 -2.916 14.228 1.00 1.21 H new ATOM 1854 N GLU B 781 3.589 -0.003 14.821 1.00 74.02 N ATOM 1855 CA GLU B 781 2.676 1.104 14.615 1.00 64.33 C ATOM 1856 C GLU B 781 3.352 2.209 13.869 1.00 24.55 C ATOM 1857 O GLU B 781 4.559 2.439 14.040 1.00 52.21 O ATOM 1858 CB GLU B 781 2.207 1.620 15.953 1.00 20.11 C ATOM 1859 CG GLU B 781 1.353 0.639 16.701 1.00 14.23 C ATOM 1860 CD GLU B 781 1.205 0.971 18.148 1.00 74.53 C ATOM 1861 OE1 GLU B 781 2.223 1.182 18.828 1.00 25.43 O ATOM 1862 OE2 GLU B 781 0.061 1.056 18.625 1.00 54.21 O ATOM 0 H GLU B 781 4.313 0.191 15.513 1.00 74.02 H new ATOM 0 HA GLU B 781 1.825 0.754 14.031 1.00 64.33 H new ATOM 0 HB2 GLU B 781 3.075 1.873 16.562 1.00 20.11 H new ATOM 0 HB3 GLU B 781 1.644 2.541 15.802 1.00 20.11 H new ATOM 0 HG2 GLU B 781 0.366 0.602 16.241 1.00 14.23 H new ATOM 0 HG3 GLU B 781 1.787 -0.357 16.606 1.00 14.23 H new ATOM 1869 N LEU B 782 2.608 2.881 13.047 1.00 3.24 N ATOM 1870 CA LEU B 782 3.112 3.952 12.284 1.00 61.23 C ATOM 1871 C LEU B 782 1.994 4.979 12.121 1.00 22.21 C ATOM 1872 O LEU B 782 0.869 4.630 11.830 1.00 32.22 O ATOM 1873 CB LEU B 782 3.609 3.377 10.938 1.00 60.12 C ATOM 1874 CG LEU B 782 4.457 4.259 10.033 1.00 22.34 C ATOM 1875 CD1 LEU B 782 3.649 5.326 9.363 1.00 14.14 C ATOM 1876 CD2 LEU B 782 5.572 4.861 10.840 1.00 55.24 C ATOM 0 H LEU B 782 1.618 2.688 12.893 1.00 3.24 H new ATOM 0 HA LEU B 782 3.953 4.455 12.761 1.00 61.23 H new ATOM 0 HB2 LEU B 782 4.185 2.477 11.156 1.00 60.12 H new ATOM 0 HB3 LEU B 782 2.733 3.065 10.369 1.00 60.12 H new ATOM 0 HG LEU B 782 4.869 3.638 9.238 1.00 22.34 H new ATOM 0 HD11 LEU B 782 4.298 5.929 8.728 1.00 14.14 H new ATOM 0 HD12 LEU B 782 2.872 4.865 8.754 1.00 14.14 H new ATOM 0 HD13 LEU B 782 3.188 5.962 10.119 1.00 14.14 H new ATOM 0 HD21 LEU B 782 6.184 5.495 10.198 1.00 55.24 H new ATOM 0 HD22 LEU B 782 5.153 5.460 11.649 1.00 55.24 H new ATOM 0 HD23 LEU B 782 6.188 4.066 11.259 1.00 55.24 H new ATOM 1888 N ILE B 783 2.293 6.213 12.363 1.00 25.53 N ATOM 1889 CA ILE B 783 1.297 7.261 12.219 1.00 12.12 C ATOM 1890 C ILE B 783 1.577 8.034 10.962 1.00 13.55 C ATOM 1891 O ILE B 783 2.729 8.426 10.710 1.00 2.12 O ATOM 1892 CB ILE B 783 1.236 8.262 13.437 1.00 64.44 C ATOM 1893 CG1 ILE B 783 0.842 7.576 14.768 1.00 25.21 C ATOM 1894 CG2 ILE B 783 0.277 9.420 13.146 1.00 11.24 C ATOM 1895 CD1 ILE B 783 1.844 6.584 15.321 1.00 2.43 C ATOM 0 H ILE B 783 3.214 6.535 12.662 1.00 25.53 H new ATOM 0 HA ILE B 783 0.328 6.763 12.179 1.00 12.12 H new ATOM 0 HB ILE B 783 2.248 8.648 13.560 1.00 64.44 H new ATOM 0 HG12 ILE B 783 0.674 8.349 15.517 1.00 25.21 H new ATOM 0 HG13 ILE B 783 -0.108 7.061 14.622 1.00 25.21 H new ATOM 0 HG21 ILE B 783 0.253 10.096 14.001 1.00 11.24 H new ATOM 0 HG22 ILE B 783 0.618 9.962 12.264 1.00 11.24 H new ATOM 0 HG23 ILE B 783 -0.724 9.027 12.966 1.00 11.24 H new ATOM 0 HD11 ILE B 783 1.465 6.166 16.254 1.00 2.43 H new ATOM 0 HD12 ILE B 783 1.998 5.782 14.599 1.00 2.43 H new ATOM 0 HD13 ILE B 783 2.791 7.090 15.509 1.00 2.43 H new ATOM 1907 N ILE B 784 0.563 8.247 10.175 1.00 34.42 N ATOM 1908 CA ILE B 784 0.708 8.967 8.970 1.00 14.53 C ATOM 1909 C ILE B 784 0.027 10.318 9.055 1.00 41.40 C ATOM 1910 O ILE B 784 0.704 11.274 9.446 1.00 38.17 O ATOM 1911 CB ILE B 784 0.292 8.153 7.723 1.00 55.13 C ATOM 1912 CG1 ILE B 784 -1.085 7.507 7.881 1.00 14.32 C ATOM 1913 CG2 ILE B 784 1.338 7.104 7.406 1.00 22.41 C ATOM 1914 CD1 ILE B 784 -1.545 6.794 6.634 1.00 64.43 C ATOM 1915 OXT ILE B 784 -1.175 10.435 8.770 1.00 38.17 O ATOM 0 H ILE B 784 -0.385 7.920 10.362 1.00 34.42 H new ATOM 0 HA ILE B 784 1.773 9.155 8.836 1.00 14.53 H new ATOM 0 HB ILE B 784 0.222 8.853 6.890 1.00 55.13 H new ATOM 0 HG12 ILE B 784 -1.056 6.798 8.709 1.00 14.32 H new ATOM 0 HG13 ILE B 784 -1.813 8.275 8.144 1.00 14.32 H new ATOM 0 HG21 ILE B 784 1.031 6.539 6.526 1.00 22.41 H new ATOM 0 HG22 ILE B 784 2.294 7.591 7.210 1.00 22.41 H new ATOM 0 HG23 ILE B 784 1.443 6.427 8.254 1.00 22.41 H new ATOM 0 HD11 ILE B 784 -2.528 6.356 6.807 1.00 64.43 H new ATOM 0 HD12 ILE B 784 -1.604 7.505 5.810 1.00 64.43 H new ATOM 0 HD13 ILE B 784 -0.835 6.006 6.383 1.00 64.43 H new