USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=18 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= -0.91 K(o=-0.91,f=-0.013) USER MOD Single : A 596 SER OG : rot 79:sc= -0.163 USER MOD Single : A 598 SER OG : rot 139:sc= 1.29 USER MOD Single : A 604 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.9) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 622 LYS NZ :NH3+ 143:sc= -0.586 (180deg=-2.04!) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 626 ASN : amide:sc= 0.249 K(o=0.25,f=-1.5!) USER MOD Single : A 631 SER OG : rot -110:sc= 0.438 USER MOD Single : A 632 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0.459) USER MOD Single : A 639 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.27) USER MOD Single : A 641 GLN : amide:sc= 0.0481 K(o=0.048,f=-1.7) USER MOD Single : A 646 ASN : amide:sc= -3.4! C(o=-3.4!,f=-15!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 179:sc= 0.379 (180deg=0.379) USER MOD Single : A 655 ASN : amide:sc= 0.116 K(o=0.12,f=-1.4) USER MOD Single : A 656 GLN : amide:sc= -3.65! K(o=-3.6!,f=-0.24) USER MOD Single : A 659 MET CE :methyl -130:sc= -0.0281 (180deg=-1.28) USER MOD Single : A 661 THR OG1 : rot 75:sc= 0.0127 USER MOD Single : A 665 SER OG : rot -73:sc= 1.26 USER MOD Single : A 666 MET CE :methyl -118:sc= -2.73 (180deg=-6.29!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 89:sc= 0.0498 USER MOD Single : A 671 ASN : amide:sc= -0.227 K(o=-0.23,f=-3.7!) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl -132:sc= -1.34 (180deg=-1.59) USER MOD Single : A 677 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.660 -5.339 -0.832 1.00 65.25 N ATOM 79 CA GLU A 585 -13.758 -4.249 -1.767 1.00 4.15 C ATOM 80 C GLU A 585 -12.642 -3.269 -1.502 1.00 1.20 C ATOM 81 O GLU A 585 -12.224 -3.107 -0.363 1.00 51.22 O ATOM 82 CB GLU A 585 -15.092 -3.526 -1.571 1.00 35.43 C ATOM 83 CG GLU A 585 -16.329 -4.411 -1.672 1.00 4.04 C ATOM 84 CD GLU A 585 -16.520 -5.044 -3.033 1.00 11.33 C ATOM 85 OE1 GLU A 585 -16.996 -4.354 -3.952 1.00 60.11 O ATOM 86 OE2 GLU A 585 -16.232 -6.246 -3.199 1.00 40.44 O ATOM 0 HA GLU A 585 -13.690 -4.638 -2.783 1.00 4.15 H new ATOM 0 HB2 GLU A 585 -15.087 -3.046 -0.592 1.00 35.43 H new ATOM 0 HB3 GLU A 585 -15.170 -2.733 -2.315 1.00 35.43 H new ATOM 0 HG2 GLU A 585 -16.262 -5.199 -0.922 1.00 4.04 H new ATOM 0 HG3 GLU A 585 -17.210 -3.816 -1.432 1.00 4.04 H new ATOM 93 N PHE A 586 -12.157 -2.638 -2.529 1.00 30.31 N ATOM 94 CA PHE A 586 -11.115 -1.636 -2.387 1.00 63.34 C ATOM 95 C PHE A 586 -11.710 -0.261 -2.488 1.00 50.30 C ATOM 96 O PHE A 586 -12.353 0.078 -3.487 1.00 25.24 O ATOM 97 CB PHE A 586 -10.010 -1.779 -3.450 1.00 0.41 C ATOM 98 CG PHE A 586 -9.078 -2.954 -3.288 1.00 42.41 C ATOM 99 CD1 PHE A 586 -9.357 -3.986 -2.411 1.00 13.43 C ATOM 100 CD2 PHE A 586 -7.906 -3.009 -4.025 1.00 20.43 C ATOM 101 CE1 PHE A 586 -8.498 -5.046 -2.273 1.00 12.41 C ATOM 102 CE2 PHE A 586 -7.039 -4.072 -3.891 1.00 52.03 C ATOM 103 CZ PHE A 586 -7.335 -5.094 -3.014 1.00 54.34 C ATOM 0 H PHE A 586 -12.463 -2.794 -3.489 1.00 30.31 H new ATOM 0 HA PHE A 586 -10.661 -1.788 -1.408 1.00 63.34 H new ATOM 0 HB2 PHE A 586 -10.484 -1.850 -4.429 1.00 0.41 H new ATOM 0 HB3 PHE A 586 -9.414 -0.866 -3.450 1.00 0.41 H new ATOM 0 HD1 PHE A 586 -10.265 -3.957 -1.826 1.00 13.43 H new ATOM 0 HD2 PHE A 586 -7.669 -2.210 -4.712 1.00 20.43 H new ATOM 0 HE1 PHE A 586 -8.732 -5.844 -1.584 1.00 12.41 H new ATOM 0 HE2 PHE A 586 -6.129 -4.104 -4.472 1.00 52.03 H new ATOM 0 HZ PHE A 586 -6.659 -5.929 -2.907 1.00 54.34 H new ATOM 113 N LEU A 587 -11.511 0.525 -1.486 1.00 31.32 N ATOM 114 CA LEU A 587 -11.976 1.871 -1.503 1.00 54.15 C ATOM 115 C LEU A 587 -10.806 2.781 -1.548 1.00 41.45 C ATOM 116 O LEU A 587 -9.801 2.561 -0.874 1.00 63.02 O ATOM 117 CB LEU A 587 -12.877 2.185 -0.319 1.00 3.12 C ATOM 118 CG LEU A 587 -14.150 1.358 -0.240 1.00 12.14 C ATOM 119 CD1 LEU A 587 -14.954 1.731 0.982 1.00 41.23 C ATOM 120 CD2 LEU A 587 -14.998 1.517 -1.500 1.00 63.44 C ATOM 0 H LEU A 587 -11.022 0.254 -0.633 1.00 31.32 H new ATOM 0 HA LEU A 587 -12.588 2.017 -2.393 1.00 54.15 H new ATOM 0 HB2 LEU A 587 -12.309 2.037 0.599 1.00 3.12 H new ATOM 0 HB3 LEU A 587 -13.149 3.240 -0.359 1.00 3.12 H new ATOM 0 HG LEU A 587 -13.857 0.311 -0.161 1.00 12.14 H new ATOM 0 HD11 LEU A 587 -15.861 1.127 1.019 1.00 41.23 H new ATOM 0 HD12 LEU A 587 -14.360 1.549 1.878 1.00 41.23 H new ATOM 0 HD13 LEU A 587 -15.222 2.786 0.933 1.00 41.23 H new ATOM 0 HD21 LEU A 587 -15.900 0.912 -1.410 1.00 63.44 H new ATOM 0 HD22 LEU A 587 -15.274 2.564 -1.623 1.00 63.44 H new ATOM 0 HD23 LEU A 587 -14.426 1.188 -2.368 1.00 63.44 H new ATOM 132 N THR A 588 -10.907 3.760 -2.343 1.00 2.24 N ATOM 133 CA THR A 588 -9.828 4.661 -2.522 1.00 73.14 C ATOM 134 C THR A 588 -10.192 6.009 -1.964 1.00 10.14 C ATOM 135 O THR A 588 -11.184 6.610 -2.368 1.00 44.25 O ATOM 136 CB THR A 588 -9.495 4.787 -4.012 1.00 43.41 C ATOM 137 OG1 THR A 588 -9.274 3.469 -4.547 1.00 63.22 O ATOM 138 CG2 THR A 588 -8.244 5.627 -4.219 1.00 13.25 C ATOM 0 H THR A 588 -11.738 3.971 -2.896 1.00 2.24 H new ATOM 0 HA THR A 588 -8.954 4.280 -1.994 1.00 73.14 H new ATOM 0 HB THR A 588 -10.326 5.275 -4.521 1.00 43.41 H new ATOM 0 HG1 THR A 588 -9.061 3.535 -5.501 1.00 63.22 H new ATOM 0 HG21 THR A 588 -8.028 5.702 -5.285 1.00 13.25 H new ATOM 0 HG22 THR A 588 -8.404 6.625 -3.810 1.00 13.25 H new ATOM 0 HG23 THR A 588 -7.402 5.157 -3.710 1.00 13.25 H new ATOM 146 N PHE A 589 -9.412 6.468 -1.041 1.00 41.24 N ATOM 147 CA PHE A 589 -9.618 7.759 -0.474 1.00 55.42 C ATOM 148 C PHE A 589 -8.524 8.686 -0.933 1.00 32.14 C ATOM 149 O PHE A 589 -7.360 8.285 -1.009 1.00 60.11 O ATOM 150 CB PHE A 589 -9.681 7.687 1.053 1.00 65.41 C ATOM 151 CG PHE A 589 -10.845 6.878 1.516 1.00 1.11 C ATOM 152 CD1 PHE A 589 -12.107 7.212 1.099 1.00 53.15 C ATOM 153 CD2 PHE A 589 -10.684 5.776 2.334 1.00 2.11 C ATOM 154 CE1 PHE A 589 -13.192 6.487 1.479 1.00 73.21 C ATOM 155 CE2 PHE A 589 -11.777 5.029 2.727 1.00 1.12 C ATOM 156 CZ PHE A 589 -13.036 5.386 2.299 1.00 35.35 C ATOM 0 H PHE A 589 -8.615 5.959 -0.659 1.00 41.24 H new ATOM 0 HA PHE A 589 -10.577 8.149 -0.815 1.00 55.42 H new ATOM 0 HB2 PHE A 589 -8.758 7.251 1.436 1.00 65.41 H new ATOM 0 HB3 PHE A 589 -9.751 8.695 1.463 1.00 65.41 H new ATOM 0 HD1 PHE A 589 -12.242 8.069 0.455 1.00 53.15 H new ATOM 0 HD2 PHE A 589 -9.696 5.497 2.669 1.00 2.11 H new ATOM 0 HE1 PHE A 589 -14.177 6.772 1.140 1.00 73.21 H new ATOM 0 HE2 PHE A 589 -11.645 4.169 3.367 1.00 1.12 H new ATOM 0 HZ PHE A 589 -13.897 4.809 2.603 1.00 35.35 H new ATOM 166 N GLU A 590 -8.880 9.890 -1.267 1.00 21.34 N ATOM 167 CA GLU A 590 -7.918 10.857 -1.714 1.00 71.33 C ATOM 168 C GLU A 590 -7.890 11.995 -0.745 1.00 12.45 C ATOM 169 O GLU A 590 -8.881 12.696 -0.554 1.00 60.21 O ATOM 170 CB GLU A 590 -8.229 11.340 -3.112 1.00 24.15 C ATOM 171 CG GLU A 590 -8.250 10.236 -4.152 1.00 71.23 C ATOM 172 CD GLU A 590 -8.520 10.758 -5.530 1.00 33.33 C ATOM 173 OE1 GLU A 590 -9.696 11.016 -5.858 1.00 51.45 O ATOM 174 OE2 GLU A 590 -7.559 10.934 -6.303 1.00 33.41 O ATOM 0 H GLU A 590 -9.841 10.231 -1.238 1.00 21.34 H new ATOM 0 HA GLU A 590 -6.934 10.390 -1.754 1.00 71.33 H new ATOM 0 HB2 GLU A 590 -9.198 11.839 -3.106 1.00 24.15 H new ATOM 0 HB3 GLU A 590 -7.488 12.085 -3.402 1.00 24.15 H new ATOM 0 HG2 GLU A 590 -7.293 9.715 -4.145 1.00 71.23 H new ATOM 0 HG3 GLU A 590 -9.013 9.505 -3.887 1.00 71.23 H new ATOM 181 N VAL A 591 -6.768 12.190 -0.168 1.00 22.30 N ATOM 182 CA VAL A 591 -6.599 13.107 0.914 1.00 73.34 C ATOM 183 C VAL A 591 -5.660 14.199 0.491 1.00 74.20 C ATOM 184 O VAL A 591 -4.519 13.939 0.194 1.00 74.41 O ATOM 185 CB VAL A 591 -5.986 12.349 2.118 1.00 45.15 C ATOM 186 CG1 VAL A 591 -5.738 13.262 3.292 1.00 11.12 C ATOM 187 CG2 VAL A 591 -6.878 11.189 2.523 1.00 14.12 C ATOM 0 H VAL A 591 -5.910 11.707 -0.435 1.00 22.30 H new ATOM 0 HA VAL A 591 -7.561 13.537 1.193 1.00 73.34 H new ATOM 0 HB VAL A 591 -5.019 11.958 1.801 1.00 45.15 H new ATOM 0 HG11 VAL A 591 -5.308 12.689 4.114 1.00 11.12 H new ATOM 0 HG12 VAL A 591 -5.046 14.052 2.999 1.00 11.12 H new ATOM 0 HG13 VAL A 591 -6.680 13.706 3.613 1.00 11.12 H new ATOM 0 HG21 VAL A 591 -6.433 10.667 3.370 1.00 14.12 H new ATOM 0 HG22 VAL A 591 -7.861 11.567 2.805 1.00 14.12 H new ATOM 0 HG23 VAL A 591 -6.981 10.500 1.685 1.00 14.12 H new ATOM 197 N PRO A 592 -6.108 15.424 0.436 1.00 51.12 N ATOM 198 CA PRO A 592 -5.244 16.517 0.078 1.00 20.23 C ATOM 199 C PRO A 592 -4.373 16.905 1.251 1.00 43.55 C ATOM 200 O PRO A 592 -4.804 16.825 2.410 1.00 1.25 O ATOM 201 CB PRO A 592 -6.220 17.629 -0.265 1.00 2.04 C ATOM 202 CG PRO A 592 -7.383 17.360 0.612 1.00 15.10 C ATOM 203 CD PRO A 592 -7.486 15.867 0.718 1.00 24.43 C ATOM 0 HA PRO A 592 -4.562 16.283 -0.739 1.00 20.23 H new ATOM 0 HB2 PRO A 592 -5.791 18.612 -0.071 1.00 2.04 H new ATOM 0 HB3 PRO A 592 -6.499 17.606 -1.318 1.00 2.04 H new ATOM 0 HG2 PRO A 592 -7.244 17.812 1.594 1.00 15.10 H new ATOM 0 HG3 PRO A 592 -8.295 17.785 0.192 1.00 15.10 H new ATOM 0 HD2 PRO A 592 -7.817 15.554 1.708 1.00 24.43 H new ATOM 0 HD3 PRO A 592 -8.197 15.459 0.000 1.00 24.43 H new ATOM 211 N LEU A 593 -3.161 17.309 0.985 1.00 73.20 N ATOM 212 CA LEU A 593 -2.300 17.748 2.048 1.00 2.41 C ATOM 213 C LEU A 593 -2.629 19.166 2.432 1.00 12.03 C ATOM 214 O LEU A 593 -1.910 20.114 2.116 1.00 32.52 O ATOM 215 CB LEU A 593 -0.784 17.542 1.782 1.00 3.55 C ATOM 216 CG LEU A 593 -0.235 16.092 1.810 1.00 35.24 C ATOM 217 CD1 LEU A 593 -0.476 15.438 3.161 1.00 24.20 C ATOM 218 CD2 LEU A 593 -0.812 15.244 0.696 1.00 53.01 C ATOM 0 H LEU A 593 -2.751 17.343 0.052 1.00 73.20 H new ATOM 0 HA LEU A 593 -2.505 17.096 2.897 1.00 2.41 H new ATOM 0 HB2 LEU A 593 -0.555 17.968 0.805 1.00 3.55 H new ATOM 0 HB3 LEU A 593 -0.232 18.123 2.521 1.00 3.55 H new ATOM 0 HG LEU A 593 0.841 16.158 1.648 1.00 35.24 H new ATOM 0 HD11 LEU A 593 -0.080 14.422 3.149 1.00 24.20 H new ATOM 0 HD12 LEU A 593 0.025 16.014 3.939 1.00 24.20 H new ATOM 0 HD13 LEU A 593 -1.546 15.408 3.365 1.00 24.20 H new ATOM 0 HD21 LEU A 593 -0.400 14.237 0.755 1.00 53.01 H new ATOM 0 HD22 LEU A 593 -1.896 15.199 0.798 1.00 53.01 H new ATOM 0 HD23 LEU A 593 -0.556 15.685 -0.267 1.00 53.01 H new ATOM 230 N ASN A 594 -3.782 19.299 3.027 1.00 73.45 N ATOM 231 CA ASN A 594 -4.267 20.583 3.516 1.00 74.33 C ATOM 232 C ASN A 594 -4.165 20.581 4.997 1.00 32.40 C ATOM 233 O ASN A 594 -3.326 21.286 5.572 1.00 0.42 O ATOM 234 CB ASN A 594 -5.716 20.882 3.088 1.00 44.34 C ATOM 235 CG ASN A 594 -5.926 21.008 1.587 1.00 40.34 C ATOM 236 OD1 ASN A 594 -7.005 20.708 1.083 1.00 4.43 O ATOM 237 ND2 ASN A 594 -4.929 21.462 0.870 1.00 52.14 N ATOM 0 H ASN A 594 -4.423 18.523 3.193 1.00 73.45 H new ATOM 0 HA ASN A 594 -3.652 21.369 3.078 1.00 74.33 H new ATOM 0 HB2 ASN A 594 -6.362 20.089 3.466 1.00 44.34 H new ATOM 0 HB3 ASN A 594 -6.037 21.809 3.564 1.00 44.34 H new ATOM 0 HD21 ASN A 594 -5.036 21.576 -0.138 1.00 52.14 H new ATOM 0 HD22 ASN A 594 -4.045 21.702 1.319 1.00 52.14 H new ATOM 244 N ASP A 595 -4.982 19.756 5.640 1.00 2.14 N ATOM 245 CA ASP A 595 -4.884 19.588 7.080 1.00 44.44 C ATOM 246 C ASP A 595 -3.836 18.549 7.310 1.00 74.22 C ATOM 247 O ASP A 595 -4.110 17.372 7.572 1.00 45.31 O ATOM 248 CB ASP A 595 -6.215 19.183 7.727 1.00 35.11 C ATOM 249 CG ASP A 595 -6.243 19.357 9.246 1.00 62.44 C ATOM 250 OD1 ASP A 595 -5.404 18.780 9.958 1.00 45.13 O ATOM 251 OD2 ASP A 595 -7.155 20.081 9.737 1.00 23.22 O ATOM 0 H ASP A 595 -5.710 19.200 5.192 1.00 2.14 H new ATOM 0 HA ASP A 595 -4.622 20.537 7.547 1.00 44.44 H new ATOM 0 HB2 ASP A 595 -7.017 19.777 7.288 1.00 35.11 H new ATOM 0 HB3 ASP A 595 -6.422 18.140 7.487 1.00 35.11 H new ATOM 256 N SER A 596 -2.651 18.971 7.067 1.00 12.23 N ATOM 257 CA SER A 596 -1.521 18.193 7.204 1.00 54.32 C ATOM 258 C SER A 596 -0.525 19.036 7.901 1.00 45.43 C ATOM 259 O SER A 596 -0.292 20.191 7.541 1.00 4.53 O ATOM 260 CB SER A 596 -1.007 17.739 5.851 1.00 73.35 C ATOM 261 OG SER A 596 0.082 16.840 5.989 1.00 34.30 O ATOM 0 H SER A 596 -2.454 19.921 6.752 1.00 12.23 H new ATOM 0 HA SER A 596 -1.730 17.285 7.770 1.00 54.32 H new ATOM 0 HB2 SER A 596 -1.812 17.256 5.297 1.00 73.35 H new ATOM 0 HB3 SER A 596 -0.694 18.606 5.269 1.00 73.35 H new ATOM 0 HG SER A 596 -0.256 15.949 6.217 1.00 34.30 H new ATOM 267 N GLY A 597 -0.003 18.491 8.884 1.00 60.03 N ATOM 268 CA GLY A 597 0.890 19.163 9.747 1.00 54.20 C ATOM 269 C GLY A 597 0.470 18.860 11.144 1.00 43.25 C ATOM 270 O GLY A 597 1.286 18.783 12.056 1.00 71.44 O ATOM 0 H GLY A 597 -0.177 17.520 9.145 1.00 60.03 H new ATOM 0 HA2 GLY A 597 1.914 18.832 9.573 1.00 54.20 H new ATOM 0 HA3 GLY A 597 0.867 20.237 9.563 1.00 54.20 H new ATOM 274 N SER A 598 -0.848 18.663 11.286 1.00 44.34 N ATOM 275 CA SER A 598 -1.473 18.207 12.517 1.00 41.13 C ATOM 276 C SER A 598 -0.930 16.815 12.790 1.00 62.54 C ATOM 277 O SER A 598 -0.657 16.407 13.921 1.00 25.42 O ATOM 278 CB SER A 598 -2.984 18.113 12.275 1.00 24.05 C ATOM 279 OG SER A 598 -3.495 19.314 11.683 1.00 54.24 O ATOM 0 H SER A 598 -1.514 18.821 10.530 1.00 44.34 H new ATOM 0 HA SER A 598 -1.272 18.879 13.351 1.00 41.13 H new ATOM 0 HB2 SER A 598 -3.198 17.265 11.624 1.00 24.05 H new ATOM 0 HB3 SER A 598 -3.494 17.926 13.220 1.00 24.05 H new ATOM 0 HG SER A 598 -4.146 19.084 10.987 1.00 54.24 H new ATOM 285 N ALA A 599 -0.790 16.142 11.705 1.00 52.02 N ATOM 286 CA ALA A 599 -0.255 14.857 11.523 1.00 33.24 C ATOM 287 C ALA A 599 -0.052 14.805 10.029 1.00 25.43 C ATOM 288 O ALA A 599 -0.325 15.818 9.360 1.00 11.42 O ATOM 289 CB ALA A 599 -1.243 13.784 11.976 1.00 54.44 C ATOM 0 H ALA A 599 -1.090 16.540 10.815 1.00 52.02 H new ATOM 0 HA ALA A 599 0.654 14.676 12.097 1.00 33.24 H new ATOM 0 HB1 ALA A 599 -0.804 12.798 11.824 1.00 54.44 H new ATOM 0 HB2 ALA A 599 -1.470 13.921 13.033 1.00 54.44 H new ATOM 0 HB3 ALA A 599 -2.161 13.866 11.394 1.00 54.44 H new ATOM 295 N GLY A 600 0.386 13.721 9.498 1.00 55.12 N ATOM 296 CA GLY A 600 0.544 13.636 8.064 1.00 63.45 C ATOM 297 C GLY A 600 -0.813 13.542 7.423 1.00 5.22 C ATOM 298 O GLY A 600 -1.206 14.402 6.629 1.00 33.33 O ATOM 0 H GLY A 600 0.643 12.880 10.015 1.00 55.12 H new ATOM 0 HA2 GLY A 600 1.076 14.512 7.692 1.00 63.45 H new ATOM 0 HA3 GLY A 600 1.144 12.764 7.803 1.00 63.45 H new ATOM 302 N LEU A 601 -1.521 12.501 7.782 1.00 1.40 N ATOM 303 CA LEU A 601 -2.900 12.288 7.375 1.00 44.30 C ATOM 304 C LEU A 601 -3.781 12.242 8.591 1.00 34.05 C ATOM 305 O LEU A 601 -4.946 12.654 8.550 1.00 12.25 O ATOM 306 CB LEU A 601 -3.086 10.987 6.583 1.00 41.30 C ATOM 307 CG LEU A 601 -2.684 10.982 5.106 1.00 1.21 C ATOM 308 CD1 LEU A 601 -1.213 11.189 4.917 1.00 3.42 C ATOM 309 CD2 LEU A 601 -3.137 9.703 4.451 1.00 32.11 C ATOM 0 H LEU A 601 -1.154 11.759 8.377 1.00 1.40 H new ATOM 0 HA LEU A 601 -3.174 13.119 6.724 1.00 44.30 H new ATOM 0 HB2 LEU A 601 -2.517 10.205 7.087 1.00 41.30 H new ATOM 0 HB3 LEU A 601 -4.137 10.706 6.644 1.00 41.30 H new ATOM 0 HG LEU A 601 -3.183 11.824 4.625 1.00 1.21 H new ATOM 0 HD11 LEU A 601 -0.978 11.177 3.853 1.00 3.42 H new ATOM 0 HD12 LEU A 601 -0.923 12.150 5.342 1.00 3.42 H new ATOM 0 HD13 LEU A 601 -0.666 10.391 5.418 1.00 3.42 H new ATOM 0 HD21 LEU A 601 -2.846 9.709 3.401 1.00 32.11 H new ATOM 0 HD22 LEU A 601 -2.672 8.854 4.951 1.00 32.11 H new ATOM 0 HD23 LEU A 601 -4.221 9.620 4.527 1.00 32.11 H new ATOM 321 N GLY A 602 -3.231 11.715 9.653 1.00 10.14 N ATOM 322 CA GLY A 602 -3.910 11.611 10.872 1.00 43.13 C ATOM 323 C GLY A 602 -4.517 10.263 11.021 1.00 4.41 C ATOM 324 O GLY A 602 -5.658 10.126 11.442 1.00 32.21 O ATOM 0 H GLY A 602 -2.280 11.346 9.673 1.00 10.14 H new ATOM 0 HA2 GLY A 602 -3.220 11.798 11.695 1.00 43.13 H new ATOM 0 HA3 GLY A 602 -4.687 12.373 10.928 1.00 43.13 H new ATOM 328 N VAL A 603 -3.791 9.250 10.633 1.00 34.23 N ATOM 329 CA VAL A 603 -4.255 7.920 10.854 1.00 2.34 C ATOM 330 C VAL A 603 -3.145 7.166 11.543 1.00 53.12 C ATOM 331 O VAL A 603 -1.971 7.475 11.366 1.00 44.41 O ATOM 332 CB VAL A 603 -4.586 7.185 9.507 1.00 3.10 C ATOM 333 CG1 VAL A 603 -5.305 5.875 9.746 1.00 62.40 C ATOM 334 CG2 VAL A 603 -5.355 8.065 8.539 1.00 12.44 C ATOM 0 H VAL A 603 -2.886 9.324 10.168 1.00 34.23 H new ATOM 0 HA VAL A 603 -5.167 7.958 11.450 1.00 2.34 H new ATOM 0 HB VAL A 603 -3.629 6.958 9.038 1.00 3.10 H new ATOM 0 HG11 VAL A 603 -5.517 5.396 8.790 1.00 62.40 H new ATOM 0 HG12 VAL A 603 -4.676 5.220 10.349 1.00 62.40 H new ATOM 0 HG13 VAL A 603 -6.241 6.064 10.272 1.00 62.40 H new ATOM 0 HG21 VAL A 603 -5.558 7.508 7.624 1.00 12.44 H new ATOM 0 HG22 VAL A 603 -6.297 8.371 8.995 1.00 12.44 H new ATOM 0 HG23 VAL A 603 -4.763 8.949 8.302 1.00 12.44 H new ATOM 344 N SER A 604 -3.493 6.207 12.316 1.00 43.52 N ATOM 345 CA SER A 604 -2.541 5.358 12.901 1.00 42.35 C ATOM 346 C SER A 604 -2.759 3.993 12.340 1.00 12.25 C ATOM 347 O SER A 604 -3.905 3.502 12.301 1.00 12.21 O ATOM 348 CB SER A 604 -2.689 5.335 14.420 1.00 1.34 C ATOM 349 OG SER A 604 -2.551 6.632 14.964 1.00 43.23 O ATOM 0 H SER A 604 -4.460 5.991 12.560 1.00 43.52 H new ATOM 0 HA SER A 604 -1.534 5.713 12.680 1.00 42.35 H new ATOM 0 HB2 SER A 604 -3.664 4.927 14.687 1.00 1.34 H new ATOM 0 HB3 SER A 604 -1.937 4.674 14.852 1.00 1.34 H new ATOM 0 HG SER A 604 -2.652 6.591 15.938 1.00 43.23 H new ATOM 355 N VAL A 605 -1.718 3.393 11.899 1.00 4.24 N ATOM 356 CA VAL A 605 -1.768 2.070 11.387 1.00 41.34 C ATOM 357 C VAL A 605 -0.793 1.184 12.100 1.00 43.05 C ATOM 358 O VAL A 605 0.117 1.659 12.740 1.00 23.43 O ATOM 359 CB VAL A 605 -1.518 1.994 9.871 1.00 33.21 C ATOM 360 CG1 VAL A 605 -2.733 2.446 9.098 1.00 30.41 C ATOM 361 CG2 VAL A 605 -0.308 2.831 9.449 1.00 4.04 C ATOM 0 H VAL A 605 -0.788 3.812 11.882 1.00 4.24 H new ATOM 0 HA VAL A 605 -2.785 1.721 11.565 1.00 41.34 H new ATOM 0 HB VAL A 605 -1.312 0.949 9.640 1.00 33.21 H new ATOM 0 HG11 VAL A 605 -2.529 2.382 8.029 1.00 30.41 H new ATOM 0 HG12 VAL A 605 -3.580 1.806 9.344 1.00 30.41 H new ATOM 0 HG13 VAL A 605 -2.969 3.477 9.361 1.00 30.41 H new ATOM 0 HG21 VAL A 605 -0.167 2.749 8.371 1.00 4.04 H new ATOM 0 HG22 VAL A 605 -0.477 3.875 9.715 1.00 4.04 H new ATOM 0 HG23 VAL A 605 0.583 2.466 9.960 1.00 4.04 H new ATOM 371 N LYS A 606 -1.020 -0.073 12.032 1.00 13.44 N ATOM 372 CA LYS A 606 -0.125 -1.053 12.621 1.00 14.33 C ATOM 373 C LYS A 606 -0.188 -2.321 11.820 1.00 62.54 C ATOM 374 O LYS A 606 -1.197 -2.592 11.167 1.00 32.40 O ATOM 375 CB LYS A 606 -0.397 -1.355 14.119 1.00 31.44 C ATOM 376 CG LYS A 606 -1.689 -2.115 14.427 1.00 11.43 C ATOM 377 CD LYS A 606 -1.712 -2.538 15.891 1.00 52.21 C ATOM 378 CE LYS A 606 -2.894 -3.458 16.229 1.00 42.23 C ATOM 379 NZ LYS A 606 -4.212 -2.813 16.057 1.00 50.21 N ATOM 0 H LYS A 606 -1.833 -0.477 11.567 1.00 13.44 H new ATOM 0 HA LYS A 606 0.873 -0.617 12.590 1.00 14.33 H new ATOM 0 HB2 LYS A 606 0.442 -1.930 14.511 1.00 31.44 H new ATOM 0 HB3 LYS A 606 -0.417 -0.410 14.662 1.00 31.44 H new ATOM 0 HG2 LYS A 606 -2.551 -1.485 14.209 1.00 11.43 H new ATOM 0 HG3 LYS A 606 -1.765 -2.993 13.786 1.00 11.43 H new ATOM 0 HD2 LYS A 606 -0.780 -3.050 16.131 1.00 52.21 H new ATOM 0 HD3 LYS A 606 -1.759 -1.649 16.520 1.00 52.21 H new ATOM 0 HE2 LYS A 606 -2.847 -4.344 15.596 1.00 42.23 H new ATOM 0 HE3 LYS A 606 -2.796 -3.797 17.260 1.00 42.23 H new ATOM 0 HZ1 LYS A 606 -4.964 -3.489 16.302 1.00 50.21 H new ATOM 0 HZ2 LYS A 606 -4.276 -1.983 16.680 1.00 50.21 H new ATOM 0 HZ3 LYS A 606 -4.325 -2.513 15.068 1.00 50.21 H new ATOM 393 N GLY A 607 0.861 -3.077 11.836 1.00 50.12 N ATOM 394 CA GLY A 607 0.850 -4.315 11.116 1.00 61.12 C ATOM 395 C GLY A 607 0.825 -5.482 12.045 1.00 25.41 C ATOM 396 O GLY A 607 1.411 -5.437 13.127 1.00 43.41 O ATOM 0 H GLY A 607 1.727 -2.866 12.332 1.00 50.12 H new ATOM 0 HA2 GLY A 607 -0.021 -4.350 10.461 1.00 61.12 H new ATOM 0 HA3 GLY A 607 1.731 -4.375 10.477 1.00 61.12 H new ATOM 400 N ASN A 608 0.150 -6.519 11.643 1.00 4.24 N ATOM 401 CA ASN A 608 0.043 -7.712 12.458 1.00 14.44 C ATOM 402 C ASN A 608 0.555 -8.899 11.659 1.00 12.25 C ATOM 403 O ASN A 608 0.585 -8.855 10.419 1.00 14.40 O ATOM 404 CB ASN A 608 -1.423 -7.942 12.892 1.00 51.42 C ATOM 405 CG ASN A 608 -1.591 -9.088 13.896 1.00 1.52 C ATOM 406 OD1 ASN A 608 -0.691 -9.383 14.694 1.00 32.25 O ATOM 407 ND2 ASN A 608 -2.738 -9.715 13.881 1.00 23.04 N ATOM 0 H ASN A 608 -0.341 -6.570 10.750 1.00 4.24 H new ATOM 0 HA ASN A 608 0.643 -7.593 13.360 1.00 14.44 H new ATOM 0 HB2 ASN A 608 -1.811 -7.024 13.333 1.00 51.42 H new ATOM 0 HB3 ASN A 608 -2.026 -8.152 12.009 1.00 51.42 H new ATOM 0 HD21 ASN A 608 -2.913 -10.473 14.540 1.00 23.04 H new ATOM 0 HD22 ASN A 608 -3.458 -9.446 13.210 1.00 23.04 H new ATOM 414 N ARG A 609 1.008 -9.914 12.335 1.00 3.51 N ATOM 415 CA ARG A 609 1.467 -11.128 11.699 1.00 2.55 C ATOM 416 C ARG A 609 0.695 -12.286 12.204 1.00 4.52 C ATOM 417 O ARG A 609 0.330 -12.328 13.373 1.00 72.42 O ATOM 418 CB ARG A 609 2.952 -11.367 11.966 1.00 31.23 C ATOM 419 CG ARG A 609 3.846 -10.359 11.325 1.00 41.34 C ATOM 420 CD ARG A 609 5.274 -10.486 11.801 1.00 3.43 C ATOM 421 NE ARG A 609 6.089 -9.411 11.243 1.00 33.35 N ATOM 422 CZ ARG A 609 6.252 -8.226 11.831 1.00 0.11 C ATOM 423 NH1 ARG A 609 5.739 -8.000 13.025 1.00 44.04 N ATOM 424 NH2 ARG A 609 6.945 -7.270 11.235 1.00 35.40 N ATOM 0 H ARG A 609 1.072 -9.929 13.353 1.00 3.51 H new ATOM 0 HA ARG A 609 1.317 -11.017 10.625 1.00 2.55 H new ATOM 0 HB2 ARG A 609 3.124 -11.360 13.042 1.00 31.23 H new ATOM 0 HB3 ARG A 609 3.222 -12.360 11.606 1.00 31.23 H new ATOM 0 HG2 ARG A 609 3.812 -10.481 10.242 1.00 41.34 H new ATOM 0 HG3 ARG A 609 3.478 -9.357 11.544 1.00 41.34 H new ATOM 0 HD2 ARG A 609 5.307 -10.449 12.890 1.00 3.43 H new ATOM 0 HD3 ARG A 609 5.680 -11.452 11.502 1.00 3.43 H new ATOM 0 HE ARG A 609 6.560 -9.576 10.353 1.00 33.35 H new ATOM 0 HH11 ARG A 609 5.215 -8.734 13.502 1.00 44.04 H new ATOM 0 HH12 ARG A 609 5.866 -7.092 13.471 1.00 44.04 H new ATOM 0 HH21 ARG A 609 7.360 -7.437 10.318 1.00 35.40 H new ATOM 0 HH22 ARG A 609 7.065 -6.366 11.692 1.00 35.40 H new ATOM 438 N SER A 610 0.415 -13.206 11.333 1.00 22.21 N ATOM 439 CA SER A 610 -0.189 -14.429 11.735 1.00 21.54 C ATOM 440 C SER A 610 0.860 -15.207 12.463 1.00 64.21 C ATOM 441 O SER A 610 1.948 -15.433 11.929 1.00 12.22 O ATOM 442 CB SER A 610 -0.640 -15.249 10.533 1.00 23.33 C ATOM 443 OG SER A 610 -1.200 -16.490 10.946 1.00 23.32 O ATOM 0 H SER A 610 0.599 -13.128 10.333 1.00 22.21 H new ATOM 0 HA SER A 610 -1.064 -14.220 12.351 1.00 21.54 H new ATOM 0 HB2 SER A 610 -1.376 -14.686 9.959 1.00 23.33 H new ATOM 0 HB3 SER A 610 0.208 -15.430 9.872 1.00 23.33 H new ATOM 0 HG SER A 610 -1.484 -16.999 10.158 1.00 23.32 H new ATOM 518 N ALA A 615 3.480 -15.276 8.904 1.00 3.22 N ATOM 519 CA ALA A 615 3.525 -14.350 7.825 1.00 54.11 C ATOM 520 C ALA A 615 2.693 -13.167 8.202 1.00 54.02 C ATOM 521 O ALA A 615 1.795 -13.287 9.036 1.00 50.32 O ATOM 522 CB ALA A 615 2.988 -14.997 6.564 1.00 22.40 C ATOM 0 HA ALA A 615 4.551 -14.038 7.630 1.00 54.11 H new ATOM 0 HB1 ALA A 615 3.026 -14.281 5.743 1.00 22.40 H new ATOM 0 HB2 ALA A 615 3.595 -15.867 6.315 1.00 22.40 H new ATOM 0 HB3 ALA A 615 1.956 -15.309 6.726 1.00 22.40 H new ATOM 528 N ASP A 616 2.971 -12.043 7.621 1.00 53.51 N ATOM 529 CA ASP A 616 2.254 -10.834 7.936 1.00 4.31 C ATOM 530 C ASP A 616 0.829 -10.875 7.432 1.00 70.44 C ATOM 531 O ASP A 616 0.513 -11.552 6.446 1.00 42.21 O ATOM 532 CB ASP A 616 2.985 -9.582 7.423 1.00 21.34 C ATOM 533 CG ASP A 616 3.244 -9.609 5.934 1.00 45.15 C ATOM 534 OD1 ASP A 616 4.303 -10.128 5.528 1.00 24.34 O ATOM 535 OD2 ASP A 616 2.400 -9.135 5.161 1.00 0.03 O ATOM 0 H ASP A 616 3.699 -11.931 6.915 1.00 53.51 H new ATOM 0 HA ASP A 616 2.216 -10.770 9.023 1.00 4.31 H new ATOM 0 HB2 ASP A 616 2.393 -8.699 7.666 1.00 21.34 H new ATOM 0 HB3 ASP A 616 3.935 -9.484 7.948 1.00 21.34 H new ATOM 540 N LEU A 617 -0.029 -10.203 8.147 1.00 62.22 N ATOM 541 CA LEU A 617 -1.414 -10.054 7.774 1.00 14.11 C ATOM 542 C LEU A 617 -1.567 -8.737 7.053 1.00 35.14 C ATOM 543 O LEU A 617 -2.611 -8.433 6.475 1.00 64.30 O ATOM 544 CB LEU A 617 -2.308 -10.086 9.024 1.00 2.43 C ATOM 545 CG LEU A 617 -2.341 -11.405 9.805 1.00 60.42 C ATOM 546 CD1 LEU A 617 -3.217 -11.272 11.029 1.00 31.31 C ATOM 547 CD2 LEU A 617 -2.851 -12.530 8.927 1.00 1.13 C ATOM 0 H LEU A 617 0.215 -9.735 9.020 1.00 62.22 H new ATOM 0 HA LEU A 617 -1.718 -10.874 7.123 1.00 14.11 H new ATOM 0 HB2 LEU A 617 -1.979 -9.297 9.700 1.00 2.43 H new ATOM 0 HB3 LEU A 617 -3.327 -9.842 8.722 1.00 2.43 H new ATOM 0 HG LEU A 617 -1.325 -11.639 10.122 1.00 60.42 H new ATOM 0 HD11 LEU A 617 -3.229 -12.217 11.572 1.00 31.31 H new ATOM 0 HD12 LEU A 617 -2.823 -10.488 11.675 1.00 31.31 H new ATOM 0 HD13 LEU A 617 -4.232 -11.015 10.724 1.00 31.31 H new ATOM 0 HD21 LEU A 617 -2.868 -13.458 9.498 1.00 1.13 H new ATOM 0 HD22 LEU A 617 -3.859 -12.296 8.585 1.00 1.13 H new ATOM 0 HD23 LEU A 617 -2.193 -12.646 8.065 1.00 1.13 H new ATOM 559 N GLY A 618 -0.502 -7.973 7.080 1.00 73.50 N ATOM 560 CA GLY A 618 -0.483 -6.694 6.443 1.00 53.34 C ATOM 561 C GLY A 618 -0.676 -5.572 7.425 1.00 62.11 C ATOM 562 O GLY A 618 -0.718 -5.796 8.649 1.00 11.34 O ATOM 0 H GLY A 618 0.370 -8.226 7.545 1.00 73.50 H new ATOM 0 HA2 GLY A 618 0.466 -6.562 5.924 1.00 53.34 H new ATOM 0 HA3 GLY A 618 -1.268 -6.654 5.688 1.00 53.34 H new ATOM 566 N ILE A 619 -0.794 -4.379 6.902 1.00 14.42 N ATOM 567 CA ILE A 619 -0.966 -3.186 7.699 1.00 2.05 C ATOM 568 C ILE A 619 -2.456 -2.862 7.819 1.00 14.33 C ATOM 569 O ILE A 619 -3.187 -2.864 6.813 1.00 62.33 O ATOM 570 CB ILE A 619 -0.215 -1.981 7.050 1.00 50.53 C ATOM 571 CG1 ILE A 619 1.300 -2.265 6.944 1.00 41.04 C ATOM 572 CG2 ILE A 619 -0.459 -0.689 7.819 1.00 42.43 C ATOM 573 CD1 ILE A 619 2.011 -2.437 8.272 1.00 51.45 C ATOM 0 H ILE A 619 -0.773 -4.204 5.897 1.00 14.42 H new ATOM 0 HA ILE A 619 -0.549 -3.362 8.690 1.00 2.05 H new ATOM 0 HB ILE A 619 -0.616 -1.854 6.044 1.00 50.53 H new ATOM 0 HG12 ILE A 619 1.445 -3.168 6.351 1.00 41.04 H new ATOM 0 HG13 ILE A 619 1.771 -1.447 6.399 1.00 41.04 H new ATOM 0 HG21 ILE A 619 0.079 0.128 7.338 1.00 42.43 H new ATOM 0 HG22 ILE A 619 -1.526 -0.466 7.826 1.00 42.43 H new ATOM 0 HG23 ILE A 619 -0.105 -0.803 8.844 1.00 42.43 H new ATOM 0 HD11 ILE A 619 3.069 -2.632 8.096 1.00 51.45 H new ATOM 0 HD12 ILE A 619 1.904 -1.527 8.863 1.00 51.45 H new ATOM 0 HD13 ILE A 619 1.573 -3.275 8.814 1.00 51.45 H new ATOM 585 N PHE A 620 -2.900 -2.602 9.026 1.00 5.43 N ATOM 586 CA PHE A 620 -4.283 -2.281 9.287 1.00 55.11 C ATOM 587 C PHE A 620 -4.382 -0.987 10.061 1.00 71.34 C ATOM 588 O PHE A 620 -3.460 -0.625 10.804 1.00 64.03 O ATOM 589 CB PHE A 620 -4.955 -3.371 10.123 1.00 25.43 C ATOM 590 CG PHE A 620 -4.972 -4.735 9.518 1.00 53.10 C ATOM 591 CD1 PHE A 620 -6.014 -5.133 8.681 1.00 40.24 C ATOM 592 CD2 PHE A 620 -3.964 -5.645 9.814 1.00 75.35 C ATOM 593 CE1 PHE A 620 -6.040 -6.409 8.158 1.00 11.50 C ATOM 594 CE2 PHE A 620 -3.989 -6.913 9.285 1.00 62.43 C ATOM 595 CZ PHE A 620 -5.027 -7.298 8.459 1.00 24.11 C ATOM 0 H PHE A 620 -2.310 -2.607 9.858 1.00 5.43 H new ATOM 0 HA PHE A 620 -4.781 -2.194 8.321 1.00 55.11 H new ATOM 0 HB2 PHE A 620 -4.449 -3.428 11.087 1.00 25.43 H new ATOM 0 HB3 PHE A 620 -5.983 -3.069 10.321 1.00 25.43 H new ATOM 0 HD1 PHE A 620 -6.805 -4.438 8.441 1.00 40.24 H new ATOM 0 HD2 PHE A 620 -3.154 -5.353 10.466 1.00 75.35 H new ATOM 0 HE1 PHE A 620 -6.852 -6.713 7.514 1.00 11.50 H new ATOM 0 HE2 PHE A 620 -3.196 -7.609 9.515 1.00 62.43 H new ATOM 0 HZ PHE A 620 -5.046 -8.296 8.048 1.00 24.11 H new ATOM 605 N VAL A 621 -5.477 -0.287 9.886 1.00 0.03 N ATOM 606 CA VAL A 621 -5.740 0.915 10.656 1.00 72.11 C ATOM 607 C VAL A 621 -6.063 0.529 12.097 1.00 43.23 C ATOM 608 O VAL A 621 -6.753 -0.444 12.345 1.00 50.31 O ATOM 609 CB VAL A 621 -6.913 1.741 10.067 1.00 11.14 C ATOM 610 CG1 VAL A 621 -7.122 3.029 10.852 1.00 33.13 C ATOM 611 CG2 VAL A 621 -6.661 2.055 8.612 1.00 43.44 C ATOM 0 H VAL A 621 -6.207 -0.527 9.215 1.00 0.03 H new ATOM 0 HA VAL A 621 -4.846 1.538 10.618 1.00 72.11 H new ATOM 0 HB VAL A 621 -7.819 1.140 10.146 1.00 11.14 H new ATOM 0 HG11 VAL A 621 -7.950 3.589 10.418 1.00 33.13 H new ATOM 0 HG12 VAL A 621 -7.351 2.789 11.890 1.00 33.13 H new ATOM 0 HG13 VAL A 621 -6.215 3.632 10.810 1.00 33.13 H new ATOM 0 HG21 VAL A 621 -7.494 2.635 8.215 1.00 43.44 H new ATOM 0 HG22 VAL A 621 -5.741 2.631 8.518 1.00 43.44 H new ATOM 0 HG23 VAL A 621 -6.566 1.126 8.050 1.00 43.44 H new ATOM 621 N LYS A 622 -5.543 1.265 13.015 1.00 13.31 N ATOM 622 CA LYS A 622 -5.768 1.013 14.429 1.00 10.32 C ATOM 623 C LYS A 622 -6.552 2.145 15.075 1.00 51.22 C ATOM 624 O LYS A 622 -7.442 1.909 15.873 1.00 21.24 O ATOM 625 CB LYS A 622 -4.427 0.790 15.128 1.00 71.22 C ATOM 626 CG LYS A 622 -3.410 1.804 14.689 1.00 53.44 C ATOM 627 CD LYS A 622 -2.065 1.708 15.345 1.00 63.43 C ATOM 628 CE LYS A 622 -2.033 2.349 16.728 1.00 10.14 C ATOM 629 NZ LYS A 622 -2.832 1.643 17.759 1.00 54.10 N ATOM 0 H LYS A 622 -4.943 2.068 12.824 1.00 13.31 H new ATOM 0 HA LYS A 622 -6.371 0.111 14.535 1.00 10.32 H new ATOM 0 HB2 LYS A 622 -4.562 0.851 16.208 1.00 71.22 H new ATOM 0 HB3 LYS A 622 -4.062 -0.213 14.909 1.00 71.22 H new ATOM 0 HG2 LYS A 622 -3.275 1.712 13.611 1.00 53.44 H new ATOM 0 HG3 LYS A 622 -3.814 2.799 14.875 1.00 53.44 H new ATOM 0 HD2 LYS A 622 -1.782 0.659 15.430 1.00 63.43 H new ATOM 0 HD3 LYS A 622 -1.321 2.189 14.710 1.00 63.43 H new ATOM 0 HE2 LYS A 622 -0.998 2.402 17.064 1.00 10.14 H new ATOM 0 HE3 LYS A 622 -2.395 3.374 16.647 1.00 10.14 H new ATOM 0 HZ1 LYS A 622 -2.336 1.685 18.672 1.00 54.10 H new ATOM 0 HZ2 LYS A 622 -3.763 2.099 17.849 1.00 54.10 H new ATOM 0 HZ3 LYS A 622 -2.959 0.649 17.480 1.00 54.10 H new ATOM 643 N SER A 623 -6.224 3.367 14.722 1.00 41.34 N ATOM 644 CA SER A 623 -6.908 4.507 15.267 1.00 24.22 C ATOM 645 C SER A 623 -6.929 5.618 14.251 1.00 40.11 C ATOM 646 O SER A 623 -5.939 5.836 13.538 1.00 62.43 O ATOM 647 CB SER A 623 -6.233 4.983 16.580 1.00 21.13 C ATOM 648 OG SER A 623 -6.912 6.107 17.159 1.00 34.11 O ATOM 0 H SER A 623 -5.484 3.593 14.057 1.00 41.34 H new ATOM 0 HA SER A 623 -7.932 4.220 15.504 1.00 24.22 H new ATOM 0 HB2 SER A 623 -6.216 4.162 17.297 1.00 21.13 H new ATOM 0 HB3 SER A 623 -5.196 5.251 16.378 1.00 21.13 H new ATOM 0 HG SER A 623 -6.457 6.374 17.985 1.00 34.11 H new ATOM 654 N ILE A 624 -8.045 6.279 14.145 1.00 13.34 N ATOM 655 CA ILE A 624 -8.161 7.427 13.310 1.00 63.13 C ATOM 656 C ILE A 624 -7.970 8.646 14.157 1.00 21.11 C ATOM 657 O ILE A 624 -8.591 8.784 15.218 1.00 42.21 O ATOM 658 CB ILE A 624 -9.539 7.521 12.568 1.00 63.44 C ATOM 659 CG1 ILE A 624 -9.695 6.433 11.506 1.00 62.05 C ATOM 660 CG2 ILE A 624 -9.734 8.887 11.932 1.00 1.41 C ATOM 661 CD1 ILE A 624 -9.774 5.027 12.021 1.00 44.15 C ATOM 0 H ILE A 624 -8.902 6.031 14.640 1.00 13.34 H new ATOM 0 HA ILE A 624 -7.397 7.349 12.536 1.00 63.13 H new ATOM 0 HB ILE A 624 -10.307 7.370 13.326 1.00 63.44 H new ATOM 0 HG12 ILE A 624 -10.597 6.640 10.930 1.00 62.05 H new ATOM 0 HG13 ILE A 624 -8.854 6.501 10.817 1.00 62.05 H new ATOM 0 HG21 ILE A 624 -10.699 8.918 11.426 1.00 1.41 H new ATOM 0 HG22 ILE A 624 -9.704 9.656 12.704 1.00 1.41 H new ATOM 0 HG23 ILE A 624 -8.939 9.068 11.209 1.00 1.41 H new ATOM 0 HD11 ILE A 624 -9.884 4.338 11.183 1.00 44.15 H new ATOM 0 HD12 ILE A 624 -8.863 4.789 12.570 1.00 44.15 H new ATOM 0 HD13 ILE A 624 -10.633 4.930 12.685 1.00 44.15 H new ATOM 673 N ILE A 625 -7.122 9.510 13.719 1.00 43.31 N ATOM 674 CA ILE A 625 -6.896 10.727 14.418 1.00 43.21 C ATOM 675 C ILE A 625 -7.873 11.747 13.875 1.00 20.10 C ATOM 676 O ILE A 625 -7.788 12.145 12.707 1.00 42.22 O ATOM 677 CB ILE A 625 -5.423 11.217 14.231 1.00 2.13 C ATOM 678 CG1 ILE A 625 -4.452 10.160 14.799 1.00 11.24 C ATOM 679 CG2 ILE A 625 -5.209 12.565 14.911 1.00 54.24 C ATOM 680 CD1 ILE A 625 -2.988 10.479 14.589 1.00 12.24 C ATOM 0 H ILE A 625 -6.568 9.394 12.870 1.00 43.31 H new ATOM 0 HA ILE A 625 -7.048 10.582 15.488 1.00 43.21 H new ATOM 0 HB ILE A 625 -5.226 11.347 13.167 1.00 2.13 H new ATOM 0 HG12 ILE A 625 -4.638 10.051 15.867 1.00 11.24 H new ATOM 0 HG13 ILE A 625 -4.671 9.197 14.337 1.00 11.24 H new ATOM 0 HG21 ILE A 625 -4.177 12.885 14.767 1.00 54.24 H new ATOM 0 HG22 ILE A 625 -5.882 13.303 14.475 1.00 54.24 H new ATOM 0 HG23 ILE A 625 -5.415 12.471 15.977 1.00 54.24 H new ATOM 0 HD11 ILE A 625 -2.377 9.685 15.018 1.00 12.24 H new ATOM 0 HD12 ILE A 625 -2.782 10.558 13.522 1.00 12.24 H new ATOM 0 HD13 ILE A 625 -2.748 11.424 15.076 1.00 12.24 H new ATOM 692 N ASN A 626 -8.818 12.155 14.696 1.00 4.13 N ATOM 693 CA ASN A 626 -9.802 13.132 14.263 1.00 43.43 C ATOM 694 C ASN A 626 -9.225 14.508 14.362 1.00 22.41 C ATOM 695 O ASN A 626 -9.416 15.236 15.345 1.00 25.20 O ATOM 696 CB ASN A 626 -11.157 13.007 14.988 1.00 3.44 C ATOM 697 CG ASN A 626 -11.864 11.690 14.689 1.00 2.30 C ATOM 698 OD1 ASN A 626 -12.647 11.587 13.741 1.00 5.20 O ATOM 699 ND2 ASN A 626 -11.601 10.680 15.487 1.00 73.23 N ATOM 0 H ASN A 626 -8.928 11.831 15.657 1.00 4.13 H new ATOM 0 HA ASN A 626 -10.033 12.923 13.218 1.00 43.43 H new ATOM 0 HB2 ASN A 626 -10.999 13.094 16.063 1.00 3.44 H new ATOM 0 HB3 ASN A 626 -11.801 13.836 14.692 1.00 3.44 H new ATOM 0 HD21 ASN A 626 -12.049 9.777 15.332 1.00 73.23 H new ATOM 0 HD22 ASN A 626 -10.948 10.799 16.262 1.00 73.23 H new ATOM 706 N GLY A 627 -8.437 14.800 13.387 1.00 11.45 N ATOM 707 CA GLY A 627 -7.742 16.029 13.287 1.00 34.00 C ATOM 708 C GLY A 627 -6.671 15.885 12.259 1.00 71.24 C ATOM 709 O GLY A 627 -5.506 16.193 12.506 1.00 23.34 O ATOM 0 H GLY A 627 -8.254 14.164 12.611 1.00 11.45 H new ATOM 0 HA2 GLY A 627 -8.427 16.830 13.010 1.00 34.00 H new ATOM 0 HA3 GLY A 627 -7.309 16.299 14.250 1.00 34.00 H new ATOM 713 N GLY A 628 -7.066 15.352 11.126 1.00 64.03 N ATOM 714 CA GLY A 628 -6.181 15.143 10.028 1.00 31.20 C ATOM 715 C GLY A 628 -6.980 14.997 8.770 1.00 70.44 C ATOM 716 O GLY A 628 -8.106 14.477 8.812 1.00 4.24 O ATOM 0 H GLY A 628 -8.025 15.051 10.949 1.00 64.03 H new ATOM 0 HA2 GLY A 628 -5.490 15.981 9.938 1.00 31.20 H new ATOM 0 HA3 GLY A 628 -5.579 14.250 10.196 1.00 31.20 H new ATOM 720 N ALA A 629 -6.423 15.433 7.666 1.00 44.10 N ATOM 721 CA ALA A 629 -7.101 15.457 6.370 1.00 62.11 C ATOM 722 C ALA A 629 -7.730 14.113 5.959 1.00 74.10 C ATOM 723 O ALA A 629 -8.845 14.089 5.436 1.00 12.55 O ATOM 724 CB ALA A 629 -6.158 15.967 5.301 1.00 12.42 C ATOM 0 H ALA A 629 -5.468 15.790 7.631 1.00 44.10 H new ATOM 0 HA ALA A 629 -7.942 16.142 6.478 1.00 62.11 H new ATOM 0 HB1 ALA A 629 -6.671 15.981 4.340 1.00 12.42 H new ATOM 0 HB2 ALA A 629 -5.833 16.976 5.554 1.00 12.42 H new ATOM 0 HB3 ALA A 629 -5.290 15.311 5.239 1.00 12.42 H new ATOM 730 N ALA A 630 -7.035 13.000 6.208 1.00 23.13 N ATOM 731 CA ALA A 630 -7.548 11.671 5.839 1.00 52.03 C ATOM 732 C ALA A 630 -8.786 11.338 6.603 1.00 25.14 C ATOM 733 O ALA A 630 -9.670 10.639 6.113 1.00 55.55 O ATOM 734 CB ALA A 630 -6.507 10.603 6.050 1.00 13.13 C ATOM 0 H ALA A 630 -6.121 12.988 6.661 1.00 23.13 H new ATOM 0 HA ALA A 630 -7.795 11.705 4.778 1.00 52.03 H new ATOM 0 HB1 ALA A 630 -6.918 9.634 5.768 1.00 13.13 H new ATOM 0 HB2 ALA A 630 -5.634 10.820 5.435 1.00 13.13 H new ATOM 0 HB3 ALA A 630 -6.215 10.582 7.100 1.00 13.13 H new ATOM 740 N SER A 631 -8.858 11.849 7.776 1.00 72.33 N ATOM 741 CA SER A 631 -9.995 11.630 8.608 1.00 42.45 C ATOM 742 C SER A 631 -11.131 12.509 8.125 1.00 0.41 C ATOM 743 O SER A 631 -12.244 12.032 7.897 1.00 43.40 O ATOM 744 CB SER A 631 -9.654 11.950 10.069 1.00 42.13 C ATOM 745 OG SER A 631 -10.768 11.737 10.922 1.00 52.34 O ATOM 0 H SER A 631 -8.132 12.433 8.192 1.00 72.33 H new ATOM 0 HA SER A 631 -10.295 10.584 8.552 1.00 42.45 H new ATOM 0 HB2 SER A 631 -8.821 11.327 10.394 1.00 42.13 H new ATOM 0 HB3 SER A 631 -9.326 12.987 10.149 1.00 42.13 H new ATOM 0 HG SER A 631 -11.101 12.600 11.247 1.00 52.34 H new ATOM 751 N LYS A 632 -10.819 13.776 7.910 1.00 40.51 N ATOM 752 CA LYS A 632 -11.804 14.768 7.533 1.00 53.12 C ATOM 753 C LYS A 632 -12.412 14.447 6.163 1.00 1.22 C ATOM 754 O LYS A 632 -13.637 14.380 6.012 1.00 14.40 O ATOM 755 CB LYS A 632 -11.107 16.146 7.480 1.00 21.12 C ATOM 756 CG LYS A 632 -10.388 16.515 8.775 1.00 72.12 C ATOM 757 CD LYS A 632 -9.563 17.795 8.654 1.00 44.33 C ATOM 758 CE LYS A 632 -10.415 19.037 8.488 1.00 4.32 C ATOM 759 NZ LYS A 632 -9.576 20.254 8.370 1.00 32.11 N ATOM 0 H LYS A 632 -9.871 14.144 7.993 1.00 40.51 H new ATOM 0 HA LYS A 632 -12.611 14.771 8.266 1.00 53.12 H new ATOM 0 HB2 LYS A 632 -10.388 16.149 6.661 1.00 21.12 H new ATOM 0 HB3 LYS A 632 -11.850 16.912 7.255 1.00 21.12 H new ATOM 0 HG2 LYS A 632 -11.123 16.637 9.571 1.00 72.12 H new ATOM 0 HG3 LYS A 632 -9.734 15.694 9.068 1.00 72.12 H new ATOM 0 HD2 LYS A 632 -8.941 17.904 9.542 1.00 44.33 H new ATOM 0 HD3 LYS A 632 -8.889 17.707 7.802 1.00 44.33 H new ATOM 0 HE2 LYS A 632 -11.040 18.936 7.601 1.00 4.32 H new ATOM 0 HE3 LYS A 632 -11.086 19.137 9.341 1.00 4.32 H new ATOM 0 HZ1 LYS A 632 -10.092 21.070 8.756 1.00 32.11 H new ATOM 0 HZ2 LYS A 632 -8.693 20.120 8.903 1.00 32.11 H new ATOM 0 HZ3 LYS A 632 -9.354 20.427 7.369 1.00 32.11 H new ATOM 773 N ASP A 633 -11.563 14.245 5.179 1.00 63.11 N ATOM 774 CA ASP A 633 -12.017 13.980 3.818 1.00 12.02 C ATOM 775 C ASP A 633 -12.427 12.519 3.612 1.00 61.31 C ATOM 776 O ASP A 633 -13.539 12.227 3.157 1.00 2.03 O ATOM 777 CB ASP A 633 -10.931 14.359 2.807 1.00 23.21 C ATOM 778 CG ASP A 633 -11.405 14.253 1.373 1.00 1.03 C ATOM 779 OD1 ASP A 633 -11.552 13.143 0.853 1.00 4.31 O ATOM 780 OD2 ASP A 633 -11.664 15.300 0.747 1.00 54.05 O ATOM 0 H ASP A 633 -10.549 14.258 5.290 1.00 63.11 H new ATOM 0 HA ASP A 633 -12.901 14.597 3.656 1.00 12.02 H new ATOM 0 HB2 ASP A 633 -10.600 15.379 3.001 1.00 23.21 H new ATOM 0 HB3 ASP A 633 -10.066 13.710 2.948 1.00 23.21 H new ATOM 785 N GLY A 634 -11.527 11.612 3.978 1.00 70.21 N ATOM 786 CA GLY A 634 -11.695 10.201 3.678 1.00 12.44 C ATOM 787 C GLY A 634 -12.727 9.497 4.521 1.00 4.14 C ATOM 788 O GLY A 634 -13.501 8.688 3.992 1.00 54.33 O ATOM 0 H GLY A 634 -10.671 11.834 4.485 1.00 70.21 H new ATOM 0 HA2 GLY A 634 -11.970 10.097 2.628 1.00 12.44 H new ATOM 0 HA3 GLY A 634 -10.736 9.699 3.807 1.00 12.44 H new ATOM 792 N ARG A 635 -12.740 9.786 5.835 1.00 45.05 N ATOM 793 CA ARG A 635 -13.697 9.152 6.773 1.00 12.14 C ATOM 794 C ARG A 635 -13.482 7.630 6.861 1.00 13.21 C ATOM 795 O ARG A 635 -14.427 6.882 7.088 1.00 43.10 O ATOM 796 CB ARG A 635 -15.150 9.455 6.351 1.00 42.50 C ATOM 797 CG ARG A 635 -15.602 10.910 6.495 1.00 43.12 C ATOM 798 CD ARG A 635 -15.869 11.314 7.956 1.00 42.54 C ATOM 799 NE ARG A 635 -14.679 11.291 8.821 1.00 65.11 N ATOM 800 CZ ARG A 635 -14.709 11.246 10.163 1.00 24.45 C ATOM 801 NH1 ARG A 635 -15.871 11.143 10.804 1.00 60.03 N ATOM 802 NH2 ARG A 635 -13.577 11.300 10.861 1.00 43.33 N ATOM 0 H ARG A 635 -12.103 10.451 6.274 1.00 45.05 H new ATOM 0 HA ARG A 635 -13.515 9.576 7.761 1.00 12.14 H new ATOM 0 HB2 ARG A 635 -15.274 9.158 5.309 1.00 42.50 H new ATOM 0 HB3 ARG A 635 -15.817 8.828 6.943 1.00 42.50 H new ATOM 0 HG2 ARG A 635 -14.838 11.565 6.076 1.00 43.12 H new ATOM 0 HG3 ARG A 635 -16.509 11.063 5.910 1.00 43.12 H new ATOM 0 HD2 ARG A 635 -16.294 12.318 7.971 1.00 42.54 H new ATOM 0 HD3 ARG A 635 -16.620 10.644 8.374 1.00 42.54 H new ATOM 0 HE ARG A 635 -13.765 11.311 8.369 1.00 65.11 H new ATOM 0 HH11 ARG A 635 -16.743 11.098 10.276 1.00 60.03 H new ATOM 0 HH12 ARG A 635 -15.890 11.109 11.823 1.00 60.03 H new ATOM 0 HH21 ARG A 635 -12.682 11.376 10.377 1.00 43.33 H new ATOM 0 HH22 ARG A 635 -13.604 11.266 11.880 1.00 43.33 H new ATOM 816 N LEU A 636 -12.237 7.180 6.716 1.00 21.40 N ATOM 817 CA LEU A 636 -11.941 5.753 6.818 1.00 43.52 C ATOM 818 C LEU A 636 -12.106 5.169 8.246 1.00 73.00 C ATOM 819 O LEU A 636 -12.293 5.907 9.218 1.00 52.11 O ATOM 820 CB LEU A 636 -10.634 5.328 6.085 1.00 15.22 C ATOM 821 CG LEU A 636 -9.383 6.201 6.243 1.00 32.23 C ATOM 822 CD1 LEU A 636 -8.925 6.305 7.690 1.00 12.23 C ATOM 823 CD2 LEU A 636 -8.256 5.678 5.353 1.00 13.21 C ATOM 0 H LEU A 636 -11.428 7.773 6.530 1.00 21.40 H new ATOM 0 HA LEU A 636 -12.733 5.264 6.251 1.00 43.52 H new ATOM 0 HB2 LEU A 636 -10.380 4.322 6.420 1.00 15.22 H new ATOM 0 HB3 LEU A 636 -10.859 5.262 5.020 1.00 15.22 H new ATOM 0 HG LEU A 636 -9.649 7.209 5.925 1.00 32.23 H new ATOM 0 HD11 LEU A 636 -8.036 6.934 7.746 1.00 12.23 H new ATOM 0 HD12 LEU A 636 -9.720 6.745 8.292 1.00 12.23 H new ATOM 0 HD13 LEU A 636 -8.690 5.311 8.070 1.00 12.23 H new ATOM 0 HD21 LEU A 636 -7.374 6.307 5.475 1.00 13.21 H new ATOM 0 HD22 LEU A 636 -8.013 4.654 5.637 1.00 13.21 H new ATOM 0 HD23 LEU A 636 -8.575 5.699 4.311 1.00 13.21 H new ATOM 835 N ARG A 637 -12.024 3.861 8.340 1.00 25.34 N ATOM 836 CA ARG A 637 -12.380 3.109 9.554 1.00 43.12 C ATOM 837 C ARG A 637 -11.192 2.418 10.205 1.00 62.22 C ATOM 838 O ARG A 637 -10.095 2.357 9.648 1.00 52.53 O ATOM 839 CB ARG A 637 -13.380 2.039 9.154 1.00 3.33 C ATOM 840 CG ARG A 637 -12.831 1.204 8.030 1.00 72.10 C ATOM 841 CD ARG A 637 -13.781 0.183 7.510 1.00 64.42 C ATOM 842 NE ARG A 637 -13.410 -0.111 6.151 1.00 40.02 N ATOM 843 CZ ARG A 637 -14.088 0.274 5.101 1.00 43.24 C ATOM 844 NH1 ARG A 637 -15.323 0.753 5.227 1.00 54.43 N ATOM 845 NH2 ARG A 637 -13.522 0.174 3.917 1.00 63.21 N ATOM 0 H ARG A 637 -11.706 3.268 7.573 1.00 25.34 H new ATOM 0 HA ARG A 637 -12.779 3.820 10.278 1.00 43.12 H new ATOM 0 HB2 ARG A 637 -13.606 1.404 10.011 1.00 3.33 H new ATOM 0 HB3 ARG A 637 -14.317 2.504 8.846 1.00 3.33 H new ATOM 0 HG2 ARG A 637 -12.539 1.862 7.212 1.00 72.10 H new ATOM 0 HG3 ARG A 637 -11.927 0.702 8.373 1.00 72.10 H new ATOM 0 HD2 ARG A 637 -13.743 -0.720 8.120 1.00 64.42 H new ATOM 0 HD3 ARG A 637 -14.804 0.556 7.555 1.00 64.42 H new ATOM 0 HE ARG A 637 -12.562 -0.656 5.996 1.00 40.02 H new ATOM 0 HH11 ARG A 637 -15.751 0.823 6.150 1.00 54.43 H new ATOM 0 HH12 ARG A 637 -15.842 1.050 4.400 1.00 54.43 H new ATOM 0 HH21 ARG A 637 -12.576 -0.197 3.834 1.00 63.21 H new ATOM 0 HH22 ARG A 637 -14.030 0.468 3.083 1.00 63.21 H new ATOM 859 N VAL A 638 -11.452 1.873 11.381 1.00 43.23 N ATOM 860 CA VAL A 638 -10.499 1.113 12.156 1.00 34.34 C ATOM 861 C VAL A 638 -10.474 -0.347 11.669 1.00 2.21 C ATOM 862 O VAL A 638 -11.510 -0.914 11.330 1.00 43.21 O ATOM 863 CB VAL A 638 -10.882 1.131 13.674 1.00 74.32 C ATOM 864 CG1 VAL A 638 -9.905 0.320 14.510 1.00 12.13 C ATOM 865 CG2 VAL A 638 -10.972 2.552 14.206 1.00 34.24 C ATOM 0 H VAL A 638 -12.363 1.953 11.833 1.00 43.23 H new ATOM 0 HA VAL A 638 -9.517 1.567 12.027 1.00 34.34 H new ATOM 0 HB VAL A 638 -11.865 0.668 13.757 1.00 74.32 H new ATOM 0 HG11 VAL A 638 -10.205 0.357 15.557 1.00 12.13 H new ATOM 0 HG12 VAL A 638 -9.906 -0.715 14.168 1.00 12.13 H new ATOM 0 HG13 VAL A 638 -8.903 0.736 14.404 1.00 12.13 H new ATOM 0 HG21 VAL A 638 -11.240 2.529 15.262 1.00 34.24 H new ATOM 0 HG22 VAL A 638 -10.008 3.047 14.087 1.00 34.24 H new ATOM 0 HG23 VAL A 638 -11.733 3.101 13.651 1.00 34.24 H new ATOM 875 N ASN A 639 -9.275 -0.920 11.641 1.00 10.15 N ATOM 876 CA ASN A 639 -8.993 -2.317 11.261 1.00 23.01 C ATOM 877 C ASN A 639 -9.260 -2.559 9.771 1.00 13.23 C ATOM 878 O ASN A 639 -9.504 -3.689 9.327 1.00 51.41 O ATOM 879 CB ASN A 639 -9.734 -3.330 12.173 1.00 74.40 C ATOM 880 CG ASN A 639 -9.237 -4.790 12.015 1.00 73.51 C ATOM 881 OD1 ASN A 639 -10.000 -5.737 12.185 1.00 72.10 O ATOM 882 ND2 ASN A 639 -7.960 -4.977 11.730 1.00 71.23 N ATOM 0 H ASN A 639 -8.429 -0.408 11.892 1.00 10.15 H new ATOM 0 HA ASN A 639 -7.929 -2.489 11.421 1.00 23.01 H new ATOM 0 HB2 ASN A 639 -9.614 -3.025 13.213 1.00 74.40 H new ATOM 0 HB3 ASN A 639 -10.801 -3.293 11.951 1.00 74.40 H new ATOM 0 HD21 ASN A 639 -7.589 -5.924 11.647 1.00 71.23 H new ATOM 0 HD22 ASN A 639 -7.345 -4.175 11.593 1.00 71.23 H new ATOM 889 N ASP A 640 -9.183 -1.496 8.997 1.00 12.02 N ATOM 890 CA ASP A 640 -9.241 -1.634 7.559 1.00 1.03 C ATOM 891 C ASP A 640 -7.827 -2.061 7.103 1.00 54.15 C ATOM 892 O ASP A 640 -6.846 -1.753 7.797 1.00 2.11 O ATOM 893 CB ASP A 640 -9.628 -0.317 6.889 1.00 30.42 C ATOM 894 CG ASP A 640 -9.918 -0.512 5.416 1.00 44.33 C ATOM 895 OD1 ASP A 640 -8.992 -0.660 4.657 1.00 13.30 O ATOM 896 OD2 ASP A 640 -11.109 -0.557 5.037 1.00 3.44 O ATOM 0 H ASP A 640 -9.081 -0.539 9.335 1.00 12.02 H new ATOM 0 HA ASP A 640 -9.996 -2.368 7.278 1.00 1.03 H new ATOM 0 HB2 ASP A 640 -10.506 0.100 7.382 1.00 30.42 H new ATOM 0 HB3 ASP A 640 -8.821 0.406 7.010 1.00 30.42 H new ATOM 901 N GLN A 641 -7.715 -2.734 5.987 1.00 52.01 N ATOM 902 CA GLN A 641 -6.446 -3.289 5.531 1.00 42.13 C ATOM 903 C GLN A 641 -5.874 -2.396 4.401 1.00 21.31 C ATOM 904 O GLN A 641 -6.467 -2.284 3.330 1.00 34.45 O ATOM 905 CB GLN A 641 -6.706 -4.741 5.038 1.00 23.22 C ATOM 906 CG GLN A 641 -5.486 -5.680 4.927 1.00 72.33 C ATOM 907 CD GLN A 641 -4.452 -5.279 3.915 1.00 71.33 C ATOM 908 OE1 GLN A 641 -4.532 -5.665 2.761 1.00 44.32 O ATOM 909 NE2 GLN A 641 -3.462 -4.551 4.342 1.00 0.34 N ATOM 0 H GLN A 641 -8.498 -2.919 5.360 1.00 52.01 H new ATOM 0 HA GLN A 641 -5.712 -3.315 6.336 1.00 42.13 H new ATOM 0 HB2 GLN A 641 -7.427 -5.203 5.713 1.00 23.22 H new ATOM 0 HB3 GLN A 641 -7.179 -4.685 4.057 1.00 23.22 H new ATOM 0 HG2 GLN A 641 -5.008 -5.743 5.904 1.00 72.33 H new ATOM 0 HG3 GLN A 641 -5.841 -6.681 4.681 1.00 72.33 H new ATOM 0 HE21 GLN A 641 -3.434 -4.249 5.316 1.00 0.34 H new ATOM 0 HE22 GLN A 641 -2.714 -4.282 3.703 1.00 0.34 H new ATOM 918 N LEU A 642 -4.729 -1.779 4.658 1.00 43.31 N ATOM 919 CA LEU A 642 -4.091 -0.859 3.703 1.00 13.33 C ATOM 920 C LEU A 642 -3.430 -1.593 2.535 1.00 1.41 C ATOM 921 O LEU A 642 -2.505 -2.402 2.719 1.00 32.45 O ATOM 922 CB LEU A 642 -3.084 0.108 4.389 1.00 20.24 C ATOM 923 CG LEU A 642 -3.645 1.188 5.309 1.00 13.14 C ATOM 924 CD1 LEU A 642 -4.303 0.585 6.530 1.00 41.42 C ATOM 925 CD2 LEU A 642 -2.543 2.143 5.709 1.00 11.33 C ATOM 0 H LEU A 642 -4.211 -1.896 5.529 1.00 43.31 H new ATOM 0 HA LEU A 642 -4.900 -0.254 3.294 1.00 13.33 H new ATOM 0 HB2 LEU A 642 -2.384 -0.494 4.968 1.00 20.24 H new ATOM 0 HB3 LEU A 642 -2.508 0.602 3.606 1.00 20.24 H new ATOM 0 HG LEU A 642 -4.412 1.739 4.765 1.00 13.14 H new ATOM 0 HD11 LEU A 642 -4.692 1.381 7.164 1.00 41.42 H new ATOM 0 HD12 LEU A 642 -5.122 -0.064 6.219 1.00 41.42 H new ATOM 0 HD13 LEU A 642 -3.570 0.002 7.088 1.00 41.42 H new ATOM 0 HD21 LEU A 642 -2.949 2.912 6.366 1.00 11.33 H new ATOM 0 HD22 LEU A 642 -1.759 1.595 6.232 1.00 11.33 H new ATOM 0 HD23 LEU A 642 -2.125 2.611 4.817 1.00 11.33 H new ATOM 937 N ILE A 643 -3.895 -1.284 1.339 1.00 34.43 N ATOM 938 CA ILE A 643 -3.448 -1.940 0.121 1.00 60.44 C ATOM 939 C ILE A 643 -2.341 -1.145 -0.563 1.00 22.03 C ATOM 940 O ILE A 643 -1.245 -1.670 -0.833 1.00 53.12 O ATOM 941 CB ILE A 643 -4.622 -2.061 -0.883 1.00 62.54 C ATOM 942 CG1 ILE A 643 -5.799 -2.807 -0.265 1.00 70.33 C ATOM 943 CG2 ILE A 643 -4.175 -2.744 -2.174 1.00 45.11 C ATOM 944 CD1 ILE A 643 -5.506 -4.246 0.101 1.00 3.50 C ATOM 0 H ILE A 643 -4.600 -0.564 1.183 1.00 34.43 H new ATOM 0 HA ILE A 643 -3.075 -2.924 0.406 1.00 60.44 H new ATOM 0 HB ILE A 643 -4.949 -1.051 -1.128 1.00 62.54 H new ATOM 0 HG12 ILE A 643 -6.120 -2.275 0.631 1.00 70.33 H new ATOM 0 HG13 ILE A 643 -6.634 -2.786 -0.965 1.00 70.33 H new ATOM 0 HG21 ILE A 643 -5.020 -2.815 -2.859 1.00 45.11 H new ATOM 0 HG22 ILE A 643 -3.379 -2.161 -2.638 1.00 45.11 H new ATOM 0 HG23 ILE A 643 -3.806 -3.745 -1.948 1.00 45.11 H new ATOM 0 HD11 ILE A 643 -6.397 -4.700 0.534 1.00 3.50 H new ATOM 0 HD12 ILE A 643 -5.216 -4.797 -0.794 1.00 3.50 H new ATOM 0 HD13 ILE A 643 -4.694 -4.279 0.827 1.00 3.50 H new ATOM 956 N ALA A 644 -2.630 0.107 -0.858 1.00 74.34 N ATOM 957 CA ALA A 644 -1.699 0.940 -1.596 1.00 40.22 C ATOM 958 C ALA A 644 -1.735 2.383 -1.123 1.00 71.40 C ATOM 959 O ALA A 644 -2.747 2.847 -0.588 1.00 32.32 O ATOM 960 CB ALA A 644 -2.003 0.861 -3.088 1.00 33.50 C ATOM 0 H ALA A 644 -3.501 0.570 -0.599 1.00 74.34 H new ATOM 0 HA ALA A 644 -0.693 0.563 -1.412 1.00 40.22 H new ATOM 0 HB1 ALA A 644 -1.300 1.489 -3.636 1.00 33.50 H new ATOM 0 HB2 ALA A 644 -1.907 -0.171 -3.425 1.00 33.50 H new ATOM 0 HB3 ALA A 644 -3.020 1.209 -3.271 1.00 33.50 H new ATOM 966 N VAL A 645 -0.636 3.082 -1.334 1.00 32.04 N ATOM 967 CA VAL A 645 -0.500 4.466 -0.949 1.00 72.32 C ATOM 968 C VAL A 645 0.153 5.260 -2.111 1.00 40.43 C ATOM 969 O VAL A 645 1.188 4.862 -2.643 1.00 74.51 O ATOM 970 CB VAL A 645 0.332 4.610 0.368 1.00 34.14 C ATOM 971 CG1 VAL A 645 1.774 4.125 0.211 1.00 11.12 C ATOM 972 CG2 VAL A 645 0.274 6.024 0.901 1.00 63.34 C ATOM 0 H VAL A 645 0.195 2.696 -1.783 1.00 32.04 H new ATOM 0 HA VAL A 645 -1.490 4.876 -0.748 1.00 72.32 H new ATOM 0 HB VAL A 645 -0.132 3.955 1.105 1.00 34.14 H new ATOM 0 HG11 VAL A 645 2.304 4.248 1.155 1.00 11.12 H new ATOM 0 HG12 VAL A 645 1.775 3.072 -0.071 1.00 11.12 H new ATOM 0 HG13 VAL A 645 2.272 4.708 -0.564 1.00 11.12 H new ATOM 0 HG21 VAL A 645 0.862 6.092 1.817 1.00 63.34 H new ATOM 0 HG22 VAL A 645 0.680 6.710 0.157 1.00 63.34 H new ATOM 0 HG23 VAL A 645 -0.761 6.290 1.114 1.00 63.34 H new ATOM 982 N ASN A 646 -0.482 6.360 -2.509 1.00 30.43 N ATOM 983 CA ASN A 646 -0.043 7.195 -3.664 1.00 63.43 C ATOM 984 C ASN A 646 0.181 6.402 -4.938 1.00 30.44 C ATOM 985 O ASN A 646 0.969 6.790 -5.789 1.00 12.12 O ATOM 986 CB ASN A 646 1.168 8.065 -3.313 1.00 43.02 C ATOM 987 CG ASN A 646 0.751 9.234 -2.471 1.00 51.44 C ATOM 988 OD1 ASN A 646 -0.361 9.718 -2.605 1.00 22.55 O ATOM 989 ND2 ASN A 646 1.609 9.696 -1.607 1.00 53.45 N ATOM 0 H ASN A 646 -1.321 6.713 -2.049 1.00 30.43 H new ATOM 0 HA ASN A 646 -0.878 7.863 -3.877 1.00 63.43 H new ATOM 0 HB2 ASN A 646 1.908 7.470 -2.778 1.00 43.02 H new ATOM 0 HB3 ASN A 646 1.645 8.420 -4.227 1.00 43.02 H new ATOM 0 HD21 ASN A 646 1.360 10.488 -1.015 1.00 53.45 H new ATOM 0 HD22 ASN A 646 2.530 9.266 -1.523 1.00 53.45 H new ATOM 996 N GLY A 647 -0.576 5.332 -5.092 1.00 21.22 N ATOM 997 CA GLY A 647 -0.434 4.483 -6.260 1.00 60.23 C ATOM 998 C GLY A 647 0.568 3.347 -6.065 1.00 34.35 C ATOM 999 O GLY A 647 0.586 2.393 -6.840 1.00 52.45 O ATOM 0 H GLY A 647 -1.290 5.031 -4.429 1.00 21.22 H new ATOM 0 HA2 GLY A 647 -1.406 4.061 -6.513 1.00 60.23 H new ATOM 0 HA3 GLY A 647 -0.121 5.093 -7.107 1.00 60.23 H new ATOM 1003 N GLU A 648 1.391 3.441 -5.039 1.00 43.23 N ATOM 1004 CA GLU A 648 2.382 2.429 -4.757 1.00 62.02 C ATOM 1005 C GLU A 648 1.763 1.401 -3.821 1.00 11.23 C ATOM 1006 O GLU A 648 1.226 1.754 -2.776 1.00 3.43 O ATOM 1007 CB GLU A 648 3.618 3.076 -4.123 1.00 5.14 C ATOM 1008 CG GLU A 648 4.766 2.130 -3.893 1.00 2.24 C ATOM 1009 CD GLU A 648 5.235 1.482 -5.172 1.00 50.24 C ATOM 1010 OE1 GLU A 648 6.029 2.092 -5.911 1.00 1.15 O ATOM 1011 OE2 GLU A 648 4.815 0.342 -5.453 1.00 4.43 O ATOM 0 H GLU A 648 1.389 4.220 -4.381 1.00 43.23 H new ATOM 0 HA GLU A 648 2.698 1.936 -5.676 1.00 62.02 H new ATOM 0 HB2 GLU A 648 3.957 3.890 -4.764 1.00 5.14 H new ATOM 0 HB3 GLU A 648 3.332 3.520 -3.169 1.00 5.14 H new ATOM 0 HG2 GLU A 648 5.595 2.671 -3.437 1.00 2.24 H new ATOM 0 HG3 GLU A 648 4.462 1.358 -3.186 1.00 2.24 H new ATOM 1018 N SER A 649 1.833 0.155 -4.188 1.00 5.03 N ATOM 1019 CA SER A 649 1.165 -0.880 -3.436 1.00 44.12 C ATOM 1020 C SER A 649 2.074 -1.536 -2.394 1.00 53.14 C ATOM 1021 O SER A 649 3.268 -1.756 -2.630 1.00 72.32 O ATOM 1022 CB SER A 649 0.593 -1.927 -4.394 1.00 21.02 C ATOM 1023 OG SER A 649 -0.323 -1.323 -5.309 1.00 13.44 O ATOM 0 H SER A 649 2.346 -0.175 -5.005 1.00 5.03 H new ATOM 0 HA SER A 649 0.353 -0.409 -2.882 1.00 44.12 H new ATOM 0 HB2 SER A 649 1.403 -2.406 -4.944 1.00 21.02 H new ATOM 0 HB3 SER A 649 0.087 -2.709 -3.827 1.00 21.02 H new ATOM 0 HG SER A 649 -0.678 -2.006 -5.915 1.00 13.44 H new ATOM 1029 N LEU A 650 1.513 -1.821 -1.234 1.00 13.44 N ATOM 1030 CA LEU A 650 2.230 -2.538 -0.201 1.00 23.53 C ATOM 1031 C LEU A 650 1.638 -3.902 0.027 1.00 60.43 C ATOM 1032 O LEU A 650 2.153 -4.680 0.832 1.00 32.12 O ATOM 1033 CB LEU A 650 2.348 -1.787 1.135 1.00 2.03 C ATOM 1034 CG LEU A 650 1.065 -1.243 1.777 1.00 40.21 C ATOM 1035 CD1 LEU A 650 1.318 -0.992 3.238 1.00 51.24 C ATOM 1036 CD2 LEU A 650 0.671 0.070 1.129 1.00 72.11 C ATOM 0 H LEU A 650 0.558 -1.565 -0.984 1.00 13.44 H new ATOM 0 HA LEU A 650 3.246 -2.635 -0.585 1.00 23.53 H new ATOM 0 HB2 LEU A 650 2.821 -2.457 1.853 1.00 2.03 H new ATOM 0 HB3 LEU A 650 3.028 -0.948 0.986 1.00 2.03 H new ATOM 0 HG LEU A 650 0.265 -1.971 1.642 1.00 40.21 H new ATOM 0 HD11 LEU A 650 0.411 -0.605 3.703 1.00 51.24 H new ATOM 0 HD12 LEU A 650 1.605 -1.925 3.723 1.00 51.24 H new ATOM 0 HD13 LEU A 650 2.122 -0.264 3.348 1.00 51.24 H new ATOM 0 HD21 LEU A 650 -0.241 0.446 1.593 1.00 72.11 H new ATOM 0 HD22 LEU A 650 1.472 0.797 1.263 1.00 72.11 H new ATOM 0 HD23 LEU A 650 0.498 -0.087 0.064 1.00 72.11 H new ATOM 1048 N LEU A 651 0.550 -4.190 -0.669 1.00 1.50 N ATOM 1049 CA LEU A 651 -0.064 -5.497 -0.606 1.00 42.12 C ATOM 1050 C LEU A 651 0.890 -6.520 -1.215 1.00 43.44 C ATOM 1051 O LEU A 651 0.956 -6.676 -2.449 1.00 63.31 O ATOM 1052 CB LEU A 651 -1.409 -5.508 -1.358 1.00 63.04 C ATOM 1053 CG LEU A 651 -2.184 -6.837 -1.363 1.00 61.12 C ATOM 1054 CD1 LEU A 651 -2.610 -7.232 0.042 1.00 70.33 C ATOM 1055 CD2 LEU A 651 -3.385 -6.757 -2.293 1.00 24.10 C ATOM 0 H LEU A 651 0.076 -3.530 -1.285 1.00 1.50 H new ATOM 0 HA LEU A 651 -0.262 -5.750 0.435 1.00 42.12 H new ATOM 0 HB2 LEU A 651 -2.050 -4.742 -0.922 1.00 63.04 H new ATOM 0 HB3 LEU A 651 -1.224 -5.218 -2.392 1.00 63.04 H new ATOM 0 HG LEU A 651 -1.515 -7.613 -1.736 1.00 61.12 H new ATOM 0 HD11 LEU A 651 -3.155 -8.175 0.005 1.00 70.33 H new ATOM 0 HD12 LEU A 651 -1.727 -7.348 0.671 1.00 70.33 H new ATOM 0 HD13 LEU A 651 -3.253 -6.457 0.459 1.00 70.33 H new ATOM 0 HD21 LEU A 651 -3.918 -7.708 -2.281 1.00 24.10 H new ATOM 0 HD22 LEU A 651 -4.052 -5.962 -1.958 1.00 24.10 H new ATOM 0 HD23 LEU A 651 -3.046 -6.544 -3.307 1.00 24.10 H new ATOM 1067 N GLY A 652 1.678 -7.137 -0.369 1.00 2.21 N ATOM 1068 CA GLY A 652 2.613 -8.132 -0.814 1.00 64.40 C ATOM 1069 C GLY A 652 3.915 -8.064 -0.060 1.00 52.12 C ATOM 1070 O GLY A 652 4.627 -9.066 0.050 1.00 53.33 O ATOM 0 H GLY A 652 1.688 -6.964 0.636 1.00 2.21 H new ATOM 0 HA2 GLY A 652 2.174 -9.122 -0.690 1.00 64.40 H new ATOM 0 HA3 GLY A 652 2.804 -7.999 -1.879 1.00 64.40 H new ATOM 1074 N LYS A 653 4.237 -6.892 0.457 1.00 34.41 N ATOM 1075 CA LYS A 653 5.462 -6.717 1.227 1.00 71.14 C ATOM 1076 C LYS A 653 5.160 -6.777 2.717 1.00 52.52 C ATOM 1077 O LYS A 653 4.044 -6.458 3.137 1.00 13.43 O ATOM 1078 CB LYS A 653 6.190 -5.409 0.850 1.00 21.35 C ATOM 1079 CG LYS A 653 5.348 -4.147 0.999 1.00 61.43 C ATOM 1080 CD LYS A 653 6.142 -2.872 0.690 1.00 43.04 C ATOM 1081 CE LYS A 653 6.715 -2.845 -0.734 1.00 1.12 C ATOM 1082 NZ LYS A 653 5.666 -2.926 -1.777 1.00 40.05 N ATOM 0 H LYS A 653 3.672 -6.048 0.360 1.00 34.41 H new ATOM 0 HA LYS A 653 6.138 -7.536 0.981 1.00 71.14 H new ATOM 0 HB2 LYS A 653 7.080 -5.312 1.472 1.00 21.35 H new ATOM 0 HB3 LYS A 653 6.530 -5.483 -0.183 1.00 21.35 H new ATOM 0 HG2 LYS A 653 4.488 -4.207 0.331 1.00 61.43 H new ATOM 0 HG3 LYS A 653 4.959 -4.092 2.016 1.00 61.43 H new ATOM 0 HD2 LYS A 653 5.495 -2.006 0.831 1.00 43.04 H new ATOM 0 HD3 LYS A 653 6.959 -2.779 1.405 1.00 43.04 H new ATOM 0 HE2 LYS A 653 7.289 -1.929 -0.873 1.00 1.12 H new ATOM 0 HE3 LYS A 653 7.409 -3.677 -0.857 1.00 1.12 H new ATOM 0 HZ1 LYS A 653 6.108 -2.887 -2.718 1.00 40.05 H new ATOM 0 HZ2 LYS A 653 5.145 -3.820 -1.676 1.00 40.05 H new ATOM 0 HZ3 LYS A 653 5.008 -2.128 -1.670 1.00 40.05 H new ATOM 1096 N ALA A 654 6.143 -7.188 3.501 1.00 33.10 N ATOM 1097 CA ALA A 654 5.982 -7.370 4.945 1.00 44.31 C ATOM 1098 C ALA A 654 5.715 -6.049 5.668 1.00 33.53 C ATOM 1099 O ALA A 654 5.917 -4.981 5.103 1.00 33.01 O ATOM 1100 CB ALA A 654 7.190 -8.079 5.528 1.00 21.30 C ATOM 0 H ALA A 654 7.079 -7.407 3.159 1.00 33.10 H new ATOM 0 HA ALA A 654 5.103 -7.996 5.100 1.00 44.31 H new ATOM 0 HB1 ALA A 654 7.054 -8.206 6.602 1.00 21.30 H new ATOM 0 HB2 ALA A 654 7.300 -9.056 5.058 1.00 21.30 H new ATOM 0 HB3 ALA A 654 8.085 -7.485 5.344 1.00 21.30 H new ATOM 1106 N ASN A 655 5.298 -6.136 6.926 1.00 51.14 N ATOM 1107 CA ASN A 655 4.883 -4.952 7.716 1.00 35.44 C ATOM 1108 C ASN A 655 5.964 -3.892 7.821 1.00 72.43 C ATOM 1109 O ASN A 655 5.701 -2.712 7.591 1.00 64.43 O ATOM 1110 CB ASN A 655 4.400 -5.340 9.123 1.00 31.15 C ATOM 1111 CG ASN A 655 3.209 -6.273 9.112 1.00 63.10 C ATOM 1112 OD1 ASN A 655 2.410 -6.276 8.183 1.00 75.45 O ATOM 1113 ND2 ASN A 655 3.069 -7.054 10.150 1.00 53.03 N ATOM 0 H ASN A 655 5.233 -7.017 7.436 1.00 51.14 H new ATOM 0 HA ASN A 655 4.050 -4.519 7.161 1.00 35.44 H new ATOM 0 HB2 ASN A 655 5.219 -5.815 9.663 1.00 31.15 H new ATOM 0 HB3 ASN A 655 4.139 -4.435 9.672 1.00 31.15 H new ATOM 0 HD21 ASN A 655 2.275 -7.692 10.205 1.00 53.03 H new ATOM 0 HD22 ASN A 655 3.753 -7.025 10.906 1.00 53.03 H new ATOM 1120 N GLN A 656 7.178 -4.298 8.142 1.00 41.23 N ATOM 1121 CA GLN A 656 8.276 -3.348 8.283 1.00 35.23 C ATOM 1122 C GLN A 656 8.648 -2.748 6.925 1.00 74.23 C ATOM 1123 O GLN A 656 9.080 -1.597 6.844 1.00 53.25 O ATOM 1124 CB GLN A 656 9.498 -3.991 8.953 1.00 44.00 C ATOM 1125 CG GLN A 656 9.288 -4.560 10.381 1.00 61.31 C ATOM 1126 CD GLN A 656 9.098 -3.527 11.524 1.00 5.03 C ATOM 1127 OE1 GLN A 656 9.488 -3.794 12.660 1.00 0.34 O ATOM 1128 NE2 GLN A 656 8.505 -2.389 11.264 1.00 42.25 N ATOM 0 H GLN A 656 7.432 -5.271 8.310 1.00 41.23 H new ATOM 0 HA GLN A 656 7.936 -2.542 8.933 1.00 35.23 H new ATOM 0 HB2 GLN A 656 9.852 -4.799 8.313 1.00 44.00 H new ATOM 0 HB3 GLN A 656 10.294 -3.247 8.996 1.00 44.00 H new ATOM 0 HG2 GLN A 656 8.414 -5.211 10.362 1.00 61.31 H new ATOM 0 HG3 GLN A 656 10.146 -5.185 10.627 1.00 61.31 H new ATOM 0 HE21 GLN A 656 8.188 -2.184 10.316 1.00 42.25 H new ATOM 0 HE22 GLN A 656 8.360 -1.708 12.009 1.00 42.25 H new ATOM 1137 N GLU A 657 8.459 -3.530 5.864 1.00 52.54 N ATOM 1138 CA GLU A 657 8.728 -3.061 4.501 1.00 61.33 C ATOM 1139 C GLU A 657 7.699 -2.027 4.148 1.00 30.33 C ATOM 1140 O GLU A 657 8.008 -0.952 3.637 1.00 63.52 O ATOM 1141 CB GLU A 657 8.578 -4.198 3.501 1.00 70.32 C ATOM 1142 CG GLU A 657 9.414 -5.424 3.805 1.00 20.44 C ATOM 1143 CD GLU A 657 10.884 -5.114 3.942 1.00 50.35 C ATOM 1144 OE1 GLU A 657 11.526 -4.733 2.939 1.00 14.51 O ATOM 1145 OE2 GLU A 657 11.419 -5.238 5.054 1.00 4.10 O ATOM 0 H GLU A 657 8.121 -4.491 5.919 1.00 52.54 H new ATOM 0 HA GLU A 657 9.743 -2.665 4.462 1.00 61.33 H new ATOM 0 HB2 GLU A 657 7.529 -4.492 3.460 1.00 70.32 H new ATOM 0 HB3 GLU A 657 8.845 -3.830 2.510 1.00 70.32 H new ATOM 0 HG2 GLU A 657 9.057 -5.881 4.728 1.00 20.44 H new ATOM 0 HG3 GLU A 657 9.275 -6.158 3.011 1.00 20.44 H new ATOM 1152 N ALA A 658 6.465 -2.390 4.439 1.00 10.55 N ATOM 1153 CA ALA A 658 5.304 -1.595 4.180 1.00 24.34 C ATOM 1154 C ALA A 658 5.419 -0.245 4.827 1.00 22.25 C ATOM 1155 O ALA A 658 5.104 0.760 4.213 1.00 32.34 O ATOM 1156 CB ALA A 658 4.098 -2.313 4.703 1.00 74.24 C ATOM 0 H ALA A 658 6.247 -3.284 4.879 1.00 10.55 H new ATOM 0 HA ALA A 658 5.211 -1.443 3.105 1.00 24.34 H new ATOM 0 HB1 ALA A 658 3.207 -1.715 4.511 1.00 74.24 H new ATOM 0 HB2 ALA A 658 4.003 -3.277 4.203 1.00 74.24 H new ATOM 0 HB3 ALA A 658 4.205 -2.470 5.776 1.00 74.24 H new ATOM 1162 N MET A 659 5.881 -0.226 6.066 1.00 52.10 N ATOM 1163 CA MET A 659 6.049 1.021 6.785 1.00 22.51 C ATOM 1164 C MET A 659 7.023 1.940 6.091 1.00 4.42 C ATOM 1165 O MET A 659 6.762 3.123 5.982 1.00 35.11 O ATOM 1166 CB MET A 659 6.435 0.808 8.234 1.00 31.50 C ATOM 1167 CG MET A 659 5.373 0.119 9.040 1.00 73.33 C ATOM 1168 SD MET A 659 5.868 -0.117 10.738 1.00 51.42 S ATOM 1169 CE MET A 659 4.360 -0.771 11.405 1.00 41.54 C ATOM 0 H MET A 659 6.145 -1.059 6.592 1.00 52.10 H new ATOM 0 HA MET A 659 5.074 1.508 6.784 1.00 22.51 H new ATOM 0 HB2 MET A 659 7.351 0.219 8.275 1.00 31.50 H new ATOM 0 HB3 MET A 659 6.656 1.774 8.689 1.00 31.50 H new ATOM 0 HG2 MET A 659 4.456 0.707 9.008 1.00 73.33 H new ATOM 0 HG3 MET A 659 5.147 -0.848 8.591 1.00 73.33 H new ATOM 0 HE1 MET A 659 4.093 -0.222 12.308 1.00 41.54 H new ATOM 0 HE2 MET A 659 3.562 -0.669 10.669 1.00 41.54 H new ATOM 0 HE3 MET A 659 4.496 -1.825 11.648 1.00 41.54 H new ATOM 1179 N GLU A 660 8.130 1.396 5.599 1.00 74.13 N ATOM 1180 CA GLU A 660 9.092 2.199 4.851 1.00 75.32 C ATOM 1181 C GLU A 660 8.458 2.774 3.604 1.00 61.31 C ATOM 1182 O GLU A 660 8.601 3.968 3.324 1.00 42.44 O ATOM 1183 CB GLU A 660 10.344 1.404 4.506 1.00 53.22 C ATOM 1184 CG GLU A 660 11.209 1.092 5.704 1.00 62.31 C ATOM 1185 CD GLU A 660 11.707 2.353 6.373 1.00 61.33 C ATOM 1186 OE1 GLU A 660 12.642 2.988 5.840 1.00 63.52 O ATOM 1187 OE2 GLU A 660 11.184 2.725 7.457 1.00 24.05 O ATOM 0 H GLU A 660 8.383 0.413 5.702 1.00 74.13 H new ATOM 0 HA GLU A 660 9.398 3.025 5.493 1.00 75.32 H new ATOM 0 HB2 GLU A 660 10.051 0.470 4.026 1.00 53.22 H new ATOM 0 HB3 GLU A 660 10.932 1.965 3.779 1.00 53.22 H new ATOM 0 HG2 GLU A 660 10.640 0.500 6.420 1.00 62.31 H new ATOM 0 HG3 GLU A 660 12.059 0.485 5.392 1.00 62.31 H new ATOM 1194 N THR A 661 7.729 1.936 2.878 1.00 73.03 N ATOM 1195 CA THR A 661 7.016 2.369 1.700 1.00 53.33 C ATOM 1196 C THR A 661 6.017 3.478 2.064 1.00 13.51 C ATOM 1197 O THR A 661 5.927 4.497 1.377 1.00 31.41 O ATOM 1198 CB THR A 661 6.291 1.175 1.031 1.00 12.43 C ATOM 1199 OG1 THR A 661 7.264 0.190 0.645 1.00 50.53 O ATOM 1200 CG2 THR A 661 5.498 1.613 -0.200 1.00 32.12 C ATOM 0 H THR A 661 7.620 0.945 3.093 1.00 73.03 H new ATOM 0 HA THR A 661 7.734 2.771 0.985 1.00 53.33 H new ATOM 0 HB THR A 661 5.588 0.757 1.752 1.00 12.43 H new ATOM 0 HG1 THR A 661 7.582 -0.285 1.441 1.00 50.53 H new ATOM 0 HG21 THR A 661 5.004 0.748 -0.641 1.00 32.12 H new ATOM 0 HG22 THR A 661 4.749 2.349 0.093 1.00 32.12 H new ATOM 0 HG23 THR A 661 6.175 2.056 -0.930 1.00 32.12 H new ATOM 1208 N LEU A 662 5.304 3.292 3.172 1.00 21.24 N ATOM 1209 CA LEU A 662 4.348 4.283 3.627 1.00 11.22 C ATOM 1210 C LEU A 662 5.043 5.575 3.974 1.00 24.43 C ATOM 1211 O LEU A 662 4.752 6.582 3.382 1.00 13.04 O ATOM 1212 CB LEU A 662 3.546 3.796 4.850 1.00 42.40 C ATOM 1213 CG LEU A 662 2.659 2.561 4.679 1.00 71.20 C ATOM 1214 CD1 LEU A 662 2.023 2.183 6.009 1.00 52.02 C ATOM 1215 CD2 LEU A 662 1.581 2.813 3.643 1.00 22.23 C ATOM 0 H LEU A 662 5.374 2.465 3.766 1.00 21.24 H new ATOM 0 HA LEU A 662 3.652 4.448 2.804 1.00 11.22 H new ATOM 0 HB2 LEU A 662 4.253 3.591 5.654 1.00 42.40 H new ATOM 0 HB3 LEU A 662 2.913 4.618 5.184 1.00 42.40 H new ATOM 0 HG LEU A 662 3.284 1.737 4.335 1.00 71.20 H new ATOM 0 HD11 LEU A 662 1.394 1.303 5.875 1.00 52.02 H new ATOM 0 HD12 LEU A 662 2.804 1.963 6.736 1.00 52.02 H new ATOM 0 HD13 LEU A 662 1.414 3.012 6.370 1.00 52.02 H new ATOM 0 HD21 LEU A 662 0.962 1.922 3.538 1.00 22.23 H new ATOM 0 HD22 LEU A 662 0.960 3.651 3.960 1.00 22.23 H new ATOM 0 HD23 LEU A 662 2.045 3.048 2.685 1.00 22.23 H new ATOM 1227 N ARG A 663 6.015 5.514 4.881 1.00 45.21 N ATOM 1228 CA ARG A 663 6.721 6.716 5.382 1.00 15.31 C ATOM 1229 C ARG A 663 7.311 7.517 4.236 1.00 43.24 C ATOM 1230 O ARG A 663 7.266 8.756 4.222 1.00 71.13 O ATOM 1231 CB ARG A 663 7.854 6.322 6.337 1.00 70.35 C ATOM 1232 CG ARG A 663 7.419 5.557 7.574 1.00 23.54 C ATOM 1233 CD ARG A 663 8.624 5.102 8.384 1.00 20.04 C ATOM 1234 NE ARG A 663 9.399 6.224 8.910 1.00 70.01 N ATOM 1235 CZ ARG A 663 10.706 6.188 9.187 1.00 3.54 C ATOM 1236 NH1 ARG A 663 11.436 5.122 8.858 1.00 63.44 N ATOM 1237 NH2 ARG A 663 11.285 7.236 9.759 1.00 30.24 N ATOM 0 H ARG A 663 6.342 4.641 5.294 1.00 45.21 H new ATOM 0 HA ARG A 663 5.988 7.325 5.912 1.00 15.31 H new ATOM 0 HB2 ARG A 663 8.575 5.716 5.789 1.00 70.35 H new ATOM 0 HB3 ARG A 663 8.373 7.227 6.653 1.00 70.35 H new ATOM 0 HG2 ARG A 663 6.779 6.188 8.190 1.00 23.54 H new ATOM 0 HG3 ARG A 663 6.825 4.691 7.281 1.00 23.54 H new ATOM 0 HD2 ARG A 663 8.287 4.477 9.211 1.00 20.04 H new ATOM 0 HD3 ARG A 663 9.266 4.483 7.758 1.00 20.04 H new ATOM 0 HE ARG A 663 8.905 7.100 9.078 1.00 70.01 H new ATOM 0 HH11 ARG A 663 10.997 4.328 8.392 1.00 63.44 H new ATOM 0 HH12 ARG A 663 12.433 5.101 9.072 1.00 63.44 H new ATOM 0 HH21 ARG A 663 10.733 8.063 9.985 1.00 30.24 H new ATOM 0 HH22 ARG A 663 12.282 7.214 9.973 1.00 30.24 H new ATOM 1251 N ARG A 664 7.842 6.814 3.278 1.00 72.12 N ATOM 1252 CA ARG A 664 8.460 7.433 2.151 1.00 71.54 C ATOM 1253 C ARG A 664 7.426 8.006 1.195 1.00 50.35 C ATOM 1254 O ARG A 664 7.465 9.170 0.876 1.00 70.12 O ATOM 1255 CB ARG A 664 9.339 6.416 1.436 1.00 12.50 C ATOM 1256 CG ARG A 664 10.065 6.949 0.225 1.00 52.13 C ATOM 1257 CD ARG A 664 10.905 5.863 -0.414 1.00 22.15 C ATOM 1258 NE ARG A 664 11.909 5.332 0.513 1.00 31.34 N ATOM 1259 CZ ARG A 664 12.698 4.290 0.271 1.00 33.10 C ATOM 1260 NH1 ARG A 664 12.611 3.637 -0.887 1.00 43.24 N ATOM 1261 NH2 ARG A 664 13.565 3.899 1.187 1.00 43.40 N ATOM 0 H ARG A 664 7.857 5.794 3.260 1.00 72.12 H new ATOM 0 HA ARG A 664 9.073 8.262 2.504 1.00 71.54 H new ATOM 0 HB2 ARG A 664 10.074 6.031 2.143 1.00 12.50 H new ATOM 0 HB3 ARG A 664 8.720 5.573 1.129 1.00 12.50 H new ATOM 0 HG2 ARG A 664 9.345 7.332 -0.498 1.00 52.13 H new ATOM 0 HG3 ARG A 664 10.701 7.785 0.515 1.00 52.13 H new ATOM 0 HD2 ARG A 664 10.257 5.053 -0.750 1.00 22.15 H new ATOM 0 HD3 ARG A 664 11.402 6.262 -1.298 1.00 22.15 H new ATOM 0 HE ARG A 664 12.010 5.799 1.414 1.00 31.34 H new ATOM 0 HH11 ARG A 664 11.937 3.936 -1.592 1.00 43.24 H new ATOM 0 HH12 ARG A 664 13.218 2.838 -1.069 1.00 43.24 H new ATOM 0 HH21 ARG A 664 13.627 4.396 2.076 1.00 43.40 H new ATOM 0 HH22 ARG A 664 14.173 3.100 1.006 1.00 43.40 H new ATOM 1275 N SER A 665 6.469 7.225 0.807 1.00 44.13 N ATOM 1276 CA SER A 665 5.544 7.660 -0.196 1.00 43.41 C ATOM 1277 C SER A 665 4.490 8.608 0.334 1.00 32.32 C ATOM 1278 O SER A 665 4.061 9.500 -0.385 1.00 31.11 O ATOM 1279 CB SER A 665 4.927 6.485 -0.942 1.00 1.43 C ATOM 1280 OG SER A 665 5.925 5.769 -1.652 1.00 5.33 O ATOM 0 H SER A 665 6.306 6.285 1.167 1.00 44.13 H new ATOM 0 HA SER A 665 6.128 8.235 -0.914 1.00 43.41 H new ATOM 0 HB2 SER A 665 4.427 5.821 -0.237 1.00 1.43 H new ATOM 0 HB3 SER A 665 4.167 6.845 -1.635 1.00 1.43 H new ATOM 0 HG SER A 665 6.208 6.290 -2.432 1.00 5.33 H new ATOM 1286 N MET A 666 4.096 8.452 1.585 1.00 2.44 N ATOM 1287 CA MET A 666 3.048 9.295 2.134 1.00 15.13 C ATOM 1288 C MET A 666 3.529 10.727 2.271 1.00 54.55 C ATOM 1289 O MET A 666 2.772 11.662 2.071 1.00 22.40 O ATOM 1290 CB MET A 666 2.447 8.726 3.464 1.00 3.32 C ATOM 1291 CG MET A 666 3.355 8.724 4.717 1.00 64.43 C ATOM 1292 SD MET A 666 3.608 10.344 5.456 1.00 50.12 S ATOM 1293 CE MET A 666 1.921 10.738 5.879 1.00 35.33 C ATOM 0 H MET A 666 4.478 7.762 2.231 1.00 2.44 H new ATOM 0 HA MET A 666 2.220 9.294 1.425 1.00 15.13 H new ATOM 0 HB2 MET A 666 1.550 9.299 3.700 1.00 3.32 H new ATOM 0 HB3 MET A 666 2.130 7.700 3.277 1.00 3.32 H new ATOM 0 HG2 MET A 666 2.920 8.061 5.465 1.00 64.43 H new ATOM 0 HG3 MET A 666 4.325 8.306 4.447 1.00 64.43 H new ATOM 0 HE1 MET A 666 1.608 11.629 5.335 1.00 35.33 H new ATOM 0 HE2 MET A 666 1.274 9.903 5.610 1.00 35.33 H new ATOM 0 HE3 MET A 666 1.848 10.923 6.951 1.00 35.33 H new ATOM 1303 N SER A 667 4.799 10.881 2.571 1.00 1.02 N ATOM 1304 CA SER A 667 5.373 12.178 2.704 1.00 34.33 C ATOM 1305 C SER A 667 5.974 12.634 1.372 1.00 72.33 C ATOM 1306 O SER A 667 5.548 13.644 0.813 1.00 22.12 O ATOM 1307 CB SER A 667 6.435 12.176 3.823 1.00 63.33 C ATOM 1308 OG SER A 667 6.996 13.467 4.025 1.00 42.12 O ATOM 0 H SER A 667 5.449 10.110 2.726 1.00 1.02 H new ATOM 0 HA SER A 667 4.591 12.886 2.979 1.00 34.33 H new ATOM 0 HB2 SER A 667 5.983 11.827 4.752 1.00 63.33 H new ATOM 0 HB3 SER A 667 7.227 11.472 3.570 1.00 63.33 H new ATOM 0 HG SER A 667 7.663 13.425 4.742 1.00 42.12 H new ATOM 1314 N THR A 668 6.898 11.836 0.819 1.00 2.21 N ATOM 1315 CA THR A 668 7.644 12.238 -0.359 1.00 11.41 C ATOM 1316 C THR A 668 6.756 12.374 -1.582 1.00 3.51 C ATOM 1317 O THR A 668 6.880 13.316 -2.346 1.00 45.41 O ATOM 1318 CB THR A 668 8.791 11.261 -0.630 1.00 23.51 C ATOM 1319 OG1 THR A 668 9.626 11.201 0.545 1.00 73.31 O ATOM 1320 CG2 THR A 668 9.635 11.688 -1.828 1.00 2.31 C ATOM 0 H THR A 668 7.139 10.911 1.176 1.00 2.21 H new ATOM 0 HA THR A 668 8.062 13.224 -0.155 1.00 11.41 H new ATOM 0 HB THR A 668 8.365 10.285 -0.860 1.00 23.51 H new ATOM 0 HG1 THR A 668 9.291 10.506 1.149 1.00 73.31 H new ATOM 0 HG21 THR A 668 10.437 10.966 -1.984 1.00 2.31 H new ATOM 0 HG22 THR A 668 9.008 11.731 -2.718 1.00 2.31 H new ATOM 0 HG23 THR A 668 10.064 12.672 -1.639 1.00 2.31 H new ATOM 1328 N GLU A 669 5.852 11.458 -1.755 1.00 1.11 N ATOM 1329 CA GLU A 669 4.978 11.530 -2.890 1.00 62.14 C ATOM 1330 C GLU A 669 3.691 12.254 -2.536 1.00 14.13 C ATOM 1331 O GLU A 669 2.993 12.756 -3.404 1.00 24.32 O ATOM 1332 CB GLU A 669 4.733 10.150 -3.480 1.00 41.42 C ATOM 1333 CG GLU A 669 6.017 9.507 -3.984 1.00 54.21 C ATOM 1334 CD GLU A 669 5.805 8.152 -4.579 1.00 32.53 C ATOM 1335 OE1 GLU A 669 5.378 8.065 -5.745 1.00 22.22 O ATOM 1336 OE2 GLU A 669 6.061 7.146 -3.895 1.00 3.43 O ATOM 0 H GLU A 669 5.700 10.662 -1.136 1.00 1.11 H new ATOM 0 HA GLU A 669 5.466 12.118 -3.668 1.00 62.14 H new ATOM 0 HB2 GLU A 669 4.279 9.509 -2.725 1.00 41.42 H new ATOM 0 HB3 GLU A 669 4.021 10.229 -4.301 1.00 41.42 H new ATOM 0 HG2 GLU A 669 6.472 10.157 -4.731 1.00 54.21 H new ATOM 0 HG3 GLU A 669 6.724 9.427 -3.158 1.00 54.21 H new ATOM 1343 N GLY A 670 3.414 12.343 -1.242 1.00 73.33 N ATOM 1344 CA GLY A 670 2.231 13.035 -0.770 1.00 43.44 C ATOM 1345 C GLY A 670 2.310 14.515 -1.049 1.00 54.42 C ATOM 1346 O GLY A 670 1.442 15.078 -1.720 1.00 41.30 O ATOM 0 H GLY A 670 3.994 11.944 -0.504 1.00 73.33 H new ATOM 0 HA2 GLY A 670 1.347 12.619 -1.254 1.00 43.44 H new ATOM 0 HA3 GLY A 670 2.115 12.871 0.301 1.00 43.44 H new ATOM 1350 N ASN A 671 3.378 15.147 -0.579 1.00 72.12 N ATOM 1351 CA ASN A 671 3.572 16.587 -0.798 1.00 53.41 C ATOM 1352 C ASN A 671 3.970 16.864 -2.250 1.00 32.44 C ATOM 1353 O ASN A 671 3.943 18.008 -2.720 1.00 52.22 O ATOM 1354 CB ASN A 671 4.588 17.203 0.214 1.00 33.23 C ATOM 1355 CG ASN A 671 6.018 16.635 0.142 1.00 54.51 C ATOM 1356 OD1 ASN A 671 6.512 16.251 -0.916 1.00 71.15 O ATOM 1357 ND2 ASN A 671 6.674 16.563 1.279 1.00 55.32 N ATOM 0 H ASN A 671 4.122 14.695 -0.047 1.00 72.12 H new ATOM 0 HA ASN A 671 2.619 17.082 -0.613 1.00 53.41 H new ATOM 0 HB2 ASN A 671 4.634 18.279 0.047 1.00 33.23 H new ATOM 0 HB3 ASN A 671 4.206 17.053 1.224 1.00 33.23 H new ATOM 0 HD21 ASN A 671 7.619 16.180 1.299 1.00 55.32 H new ATOM 0 HD22 ASN A 671 6.238 16.890 2.141 1.00 55.32 H new ATOM 1364 N LYS A 672 4.326 15.803 -2.951 1.00 2.32 N ATOM 1365 CA LYS A 672 4.672 15.872 -4.349 1.00 65.12 C ATOM 1366 C LYS A 672 3.404 16.031 -5.176 1.00 74.24 C ATOM 1367 O LYS A 672 3.279 16.959 -5.966 1.00 43.12 O ATOM 1368 CB LYS A 672 5.402 14.598 -4.777 1.00 43.35 C ATOM 1369 CG LYS A 672 5.812 14.570 -6.234 1.00 32.12 C ATOM 1370 CD LYS A 672 6.805 15.668 -6.542 1.00 65.34 C ATOM 1371 CE LYS A 672 7.210 15.658 -7.998 1.00 70.24 C ATOM 1372 NZ LYS A 672 8.162 16.736 -8.301 1.00 15.45 N ATOM 0 H LYS A 672 4.382 14.864 -2.558 1.00 2.32 H new ATOM 0 HA LYS A 672 5.328 16.727 -4.510 1.00 65.12 H new ATOM 0 HB2 LYS A 672 6.292 14.479 -4.160 1.00 43.35 H new ATOM 0 HB3 LYS A 672 4.759 13.741 -4.577 1.00 43.35 H new ATOM 0 HG2 LYS A 672 6.251 13.601 -6.473 1.00 32.12 H new ATOM 0 HG3 LYS A 672 4.931 14.685 -6.865 1.00 32.12 H new ATOM 0 HD2 LYS A 672 6.369 16.635 -6.292 1.00 65.34 H new ATOM 0 HD3 LYS A 672 7.689 15.546 -5.917 1.00 65.34 H new ATOM 0 HE2 LYS A 672 7.658 14.696 -8.245 1.00 70.24 H new ATOM 0 HE3 LYS A 672 6.324 15.767 -8.624 1.00 70.24 H new ATOM 0 HZ1 LYS A 672 8.419 16.700 -9.308 1.00 15.45 H new ATOM 0 HZ2 LYS A 672 7.725 17.655 -8.088 1.00 15.45 H new ATOM 0 HZ3 LYS A 672 9.017 16.617 -7.721 1.00 15.45 H new ATOM 1386 N ARG A 673 2.466 15.114 -4.979 1.00 22.35 N ATOM 1387 CA ARG A 673 1.205 15.147 -5.697 1.00 15.55 C ATOM 1388 C ARG A 673 0.369 16.321 -5.210 1.00 11.22 C ATOM 1389 O ARG A 673 -0.314 16.978 -5.984 1.00 34.43 O ATOM 1390 CB ARG A 673 0.415 13.846 -5.476 1.00 64.21 C ATOM 1391 CG ARG A 673 1.120 12.557 -5.892 1.00 71.44 C ATOM 1392 CD ARG A 673 1.442 12.538 -7.368 1.00 23.33 C ATOM 1393 NE ARG A 673 2.106 11.297 -7.761 1.00 73.34 N ATOM 1394 CZ ARG A 673 2.561 11.030 -8.982 1.00 43.43 C ATOM 1395 NH1 ARG A 673 2.415 11.917 -9.958 1.00 62.33 N ATOM 1396 NH2 ARG A 673 3.155 9.872 -9.224 1.00 51.41 N ATOM 0 H ARG A 673 2.558 14.337 -4.325 1.00 22.35 H new ATOM 0 HA ARG A 673 1.421 15.254 -6.760 1.00 15.55 H new ATOM 0 HB2 ARG A 673 0.162 13.773 -4.418 1.00 64.21 H new ATOM 0 HB3 ARG A 673 -0.524 13.917 -6.025 1.00 64.21 H new ATOM 0 HG2 ARG A 673 2.041 12.446 -5.319 1.00 71.44 H new ATOM 0 HG3 ARG A 673 0.488 11.703 -5.648 1.00 71.44 H new ATOM 0 HD2 ARG A 673 0.523 12.657 -7.942 1.00 23.33 H new ATOM 0 HD3 ARG A 673 2.082 13.386 -7.612 1.00 23.33 H new ATOM 0 HE ARG A 673 2.230 10.581 -7.045 1.00 73.34 H new ATOM 0 HH11 ARG A 673 1.953 12.807 -9.773 1.00 62.33 H new ATOM 0 HH12 ARG A 673 2.765 11.709 -10.893 1.00 62.33 H new ATOM 0 HH21 ARG A 673 3.263 9.188 -8.475 1.00 51.41 H new ATOM 0 HH22 ARG A 673 3.505 9.664 -10.159 1.00 51.41 H new ATOM 1410 N GLY A 674 0.446 16.577 -3.920 1.00 4.05 N ATOM 1411 CA GLY A 674 -0.345 17.629 -3.303 1.00 60.02 C ATOM 1412 C GLY A 674 -1.500 17.031 -2.554 1.00 13.53 C ATOM 1413 O GLY A 674 -2.093 17.647 -1.654 1.00 40.53 O ATOM 0 H GLY A 674 1.050 16.070 -3.274 1.00 4.05 H new ATOM 0 HA2 GLY A 674 0.277 18.212 -2.624 1.00 60.02 H new ATOM 0 HA3 GLY A 674 -0.712 18.315 -4.067 1.00 60.02 H new ATOM 1417 N MET A 675 -1.808 15.828 -2.927 1.00 24.25 N ATOM 1418 CA MET A 675 -2.824 15.036 -2.324 1.00 32.11 C ATOM 1419 C MET A 675 -2.373 13.610 -2.366 1.00 72.23 C ATOM 1420 O MET A 675 -1.709 13.196 -3.310 1.00 31.50 O ATOM 1421 CB MET A 675 -4.201 15.241 -3.010 1.00 53.44 C ATOM 1422 CG MET A 675 -4.220 14.974 -4.513 1.00 1.45 C ATOM 1423 SD MET A 675 -5.774 15.484 -5.299 1.00 31.13 S ATOM 1424 CE MET A 675 -6.967 14.468 -4.437 1.00 12.15 C ATOM 0 H MET A 675 -1.334 15.354 -3.696 1.00 24.25 H new ATOM 0 HA MET A 675 -2.973 15.342 -1.288 1.00 32.11 H new ATOM 0 HB2 MET A 675 -4.929 14.587 -2.531 1.00 53.44 H new ATOM 0 HB3 MET A 675 -4.529 16.266 -2.834 1.00 53.44 H new ATOM 0 HG2 MET A 675 -3.390 15.503 -4.982 1.00 1.45 H new ATOM 0 HG3 MET A 675 -4.061 13.910 -4.690 1.00 1.45 H new ATOM 0 HE1 MET A 675 -7.630 13.992 -5.160 1.00 12.15 H new ATOM 0 HE2 MET A 675 -6.445 13.702 -3.864 1.00 12.15 H new ATOM 0 HE3 MET A 675 -7.554 15.090 -3.761 1.00 12.15 H new ATOM 1434 N ILE A 676 -2.708 12.893 -1.371 1.00 64.14 N ATOM 1435 CA ILE A 676 -2.271 11.566 -1.212 1.00 14.45 C ATOM 1436 C ILE A 676 -3.433 10.602 -1.398 1.00 2.23 C ATOM 1437 O ILE A 676 -4.547 10.837 -0.935 1.00 10.32 O ATOM 1438 CB ILE A 676 -1.557 11.369 0.171 1.00 32.54 C ATOM 1439 CG1 ILE A 676 -1.205 9.891 0.382 1.00 54.31 C ATOM 1440 CG2 ILE A 676 -2.411 11.910 1.311 1.00 13.23 C ATOM 1441 CD1 ILE A 676 -0.430 9.580 1.609 1.00 62.13 C ATOM 0 H ILE A 676 -3.314 13.222 -0.619 1.00 64.14 H new ATOM 0 HA ILE A 676 -1.532 11.346 -1.983 1.00 14.45 H new ATOM 0 HB ILE A 676 -0.628 11.940 0.166 1.00 32.54 H new ATOM 0 HG12 ILE A 676 -2.131 9.316 0.404 1.00 54.31 H new ATOM 0 HG13 ILE A 676 -0.636 9.546 -0.481 1.00 54.31 H new ATOM 0 HG21 ILE A 676 -1.892 11.760 2.258 1.00 13.23 H new ATOM 0 HG22 ILE A 676 -2.589 12.975 1.159 1.00 13.23 H new ATOM 0 HG23 ILE A 676 -3.365 11.383 1.333 1.00 13.23 H new ATOM 0 HD11 ILE A 676 -0.238 8.508 1.656 1.00 62.13 H new ATOM 0 HD12 ILE A 676 0.518 10.118 1.587 1.00 62.13 H new ATOM 0 HD13 ILE A 676 -1.000 9.885 2.487 1.00 62.13 H new ATOM 1453 N GLN A 677 -3.165 9.560 -2.108 1.00 53.31 N ATOM 1454 CA GLN A 677 -4.152 8.568 -2.451 1.00 23.14 C ATOM 1455 C GLN A 677 -3.959 7.327 -1.598 1.00 31.22 C ATOM 1456 O GLN A 677 -2.857 6.815 -1.492 1.00 61.41 O ATOM 1457 CB GLN A 677 -4.014 8.218 -3.932 1.00 70.40 C ATOM 1458 CG GLN A 677 -5.009 7.191 -4.416 1.00 52.23 C ATOM 1459 CD GLN A 677 -4.912 6.910 -5.910 1.00 43.33 C ATOM 1460 OE1 GLN A 677 -5.199 5.800 -6.367 1.00 72.21 O ATOM 1461 NE2 GLN A 677 -4.528 7.902 -6.678 1.00 72.40 N ATOM 0 H GLN A 677 -2.236 9.360 -2.479 1.00 53.31 H new ATOM 0 HA GLN A 677 -5.150 8.964 -2.264 1.00 23.14 H new ATOM 0 HB2 GLN A 677 -4.130 9.127 -4.522 1.00 70.40 H new ATOM 0 HB3 GLN A 677 -3.006 7.846 -4.114 1.00 70.40 H new ATOM 0 HG2 GLN A 677 -4.855 6.261 -3.868 1.00 52.23 H new ATOM 0 HG3 GLN A 677 -6.017 7.535 -4.183 1.00 52.23 H new ATOM 0 HE21 GLN A 677 -4.298 8.806 -6.266 1.00 72.40 H new ATOM 0 HE22 GLN A 677 -4.459 7.769 -7.687 1.00 72.40 H new ATOM 1470 N LEU A 678 -5.007 6.857 -0.986 1.00 11.21 N ATOM 1471 CA LEU A 678 -4.911 5.685 -0.145 1.00 21.12 C ATOM 1472 C LEU A 678 -5.904 4.656 -0.619 1.00 64.12 C ATOM 1473 O LEU A 678 -7.095 4.951 -0.746 1.00 72.50 O ATOM 1474 CB LEU A 678 -5.221 5.992 1.350 1.00 73.23 C ATOM 1475 CG LEU A 678 -4.444 7.113 2.058 1.00 30.13 C ATOM 1476 CD1 LEU A 678 -2.959 6.892 1.967 1.00 41.11 C ATOM 1477 CD2 LEU A 678 -4.846 8.491 1.550 1.00 4.20 C ATOM 0 H LEU A 678 -5.941 7.263 -1.049 1.00 11.21 H new ATOM 0 HA LEU A 678 -3.885 5.325 -0.216 1.00 21.12 H new ATOM 0 HB2 LEU A 678 -6.282 6.230 1.424 1.00 73.23 H new ATOM 0 HB3 LEU A 678 -5.061 5.073 1.914 1.00 73.23 H new ATOM 0 HG LEU A 678 -4.713 7.078 3.114 1.00 30.13 H new ATOM 0 HD11 LEU A 678 -2.439 7.702 2.478 1.00 41.11 H new ATOM 0 HD12 LEU A 678 -2.703 5.943 2.438 1.00 41.11 H new ATOM 0 HD13 LEU A 678 -2.658 6.870 0.920 1.00 41.11 H new ATOM 0 HD21 LEU A 678 -4.273 9.254 2.077 1.00 4.20 H new ATOM 0 HD22 LEU A 678 -4.643 8.558 0.481 1.00 4.20 H new ATOM 0 HD23 LEU A 678 -5.910 8.648 1.728 1.00 4.20 H new ATOM 1489 N ILE A 679 -5.437 3.475 -0.900 1.00 74.01 N ATOM 1490 CA ILE A 679 -6.321 2.405 -1.257 1.00 31.50 C ATOM 1491 C ILE A 679 -6.403 1.469 -0.079 1.00 22.44 C ATOM 1492 O ILE A 679 -5.387 0.887 0.334 1.00 71.40 O ATOM 1493 CB ILE A 679 -5.906 1.590 -2.545 1.00 73.42 C ATOM 1494 CG1 ILE A 679 -5.850 2.458 -3.824 1.00 31.40 C ATOM 1495 CG2 ILE A 679 -6.885 0.445 -2.769 1.00 51.35 C ATOM 1496 CD1 ILE A 679 -4.738 3.476 -3.877 1.00 73.32 C ATOM 0 H ILE A 679 -4.447 3.228 -0.889 1.00 74.01 H new ATOM 0 HA ILE A 679 -7.280 2.859 -1.507 1.00 31.50 H new ATOM 0 HB ILE A 679 -4.900 1.213 -2.361 1.00 73.42 H new ATOM 0 HG12 ILE A 679 -5.754 1.797 -4.685 1.00 31.40 H new ATOM 0 HG13 ILE A 679 -6.801 2.980 -3.928 1.00 31.40 H new ATOM 0 HG21 ILE A 679 -6.594 -0.114 -3.659 1.00 51.35 H new ATOM 0 HG22 ILE A 679 -6.873 -0.218 -1.904 1.00 51.35 H new ATOM 0 HG23 ILE A 679 -7.889 0.846 -2.905 1.00 51.35 H new ATOM 0 HD11 ILE A 679 -4.794 4.027 -4.816 1.00 73.32 H new ATOM 0 HD12 ILE A 679 -4.840 4.170 -3.042 1.00 73.32 H new ATOM 0 HD13 ILE A 679 -3.776 2.968 -3.811 1.00 73.32 H new ATOM 1508 N VAL A 680 -7.572 1.335 0.456 1.00 33.33 N ATOM 1509 CA VAL A 680 -7.805 0.503 1.602 1.00 15.44 C ATOM 1510 C VAL A 680 -8.871 -0.540 1.273 1.00 35.04 C ATOM 1511 O VAL A 680 -9.711 -0.320 0.388 1.00 52.20 O ATOM 1512 CB VAL A 680 -8.180 1.348 2.862 1.00 12.34 C ATOM 1513 CG1 VAL A 680 -6.993 2.160 3.343 1.00 33.04 C ATOM 1514 CG2 VAL A 680 -9.367 2.273 2.596 1.00 15.54 C ATOM 0 H VAL A 680 -8.408 1.805 0.108 1.00 33.33 H new ATOM 0 HA VAL A 680 -6.880 -0.019 1.850 1.00 15.44 H new ATOM 0 HB VAL A 680 -8.469 0.643 3.641 1.00 12.34 H new ATOM 0 HG11 VAL A 680 -7.280 2.739 4.221 1.00 33.04 H new ATOM 0 HG12 VAL A 680 -6.174 1.489 3.603 1.00 33.04 H new ATOM 0 HG13 VAL A 680 -6.670 2.836 2.552 1.00 33.04 H new ATOM 0 HG21 VAL A 680 -9.594 2.842 3.498 1.00 15.54 H new ATOM 0 HG22 VAL A 680 -9.119 2.960 1.787 1.00 15.54 H new ATOM 0 HG23 VAL A 680 -10.236 1.678 2.314 1.00 15.54 H new ATOM 1524 N ALA A 681 -8.824 -1.660 1.937 1.00 13.30 N ATOM 1525 CA ALA A 681 -9.690 -2.763 1.621 1.00 31.03 C ATOM 1526 C ALA A 681 -10.681 -3.064 2.719 1.00 14.34 C ATOM 1527 O ALA A 681 -10.330 -3.207 3.890 1.00 13.51 O ATOM 1528 CB ALA A 681 -8.884 -3.998 1.292 1.00 15.11 C ATOM 0 H ALA A 681 -8.185 -1.835 2.712 1.00 13.30 H new ATOM 0 HA ALA A 681 -10.265 -2.463 0.745 1.00 31.03 H new ATOM 0 HB1 ALA A 681 -9.559 -4.821 1.056 1.00 15.11 H new ATOM 0 HB2 ALA A 681 -8.243 -3.796 0.433 1.00 15.11 H new ATOM 0 HB3 ALA A 681 -8.267 -4.269 2.149 1.00 15.11 H new ATOM 1534 N ARG A 682 -11.891 -3.253 2.305 1.00 10.42 N ATOM 1535 CA ARG A 682 -12.999 -3.517 3.165 1.00 54.32 C ATOM 1536 C ARG A 682 -13.398 -4.946 2.997 1.00 41.51 C ATOM 1537 O ARG A 682 -13.764 -5.367 1.908 1.00 13.03 O ATOM 1538 CB ARG A 682 -14.144 -2.609 2.699 1.00 21.02 C ATOM 1539 CG ARG A 682 -15.553 -2.908 3.214 1.00 42.52 C ATOM 1540 CD ARG A 682 -15.726 -2.821 4.724 1.00 62.32 C ATOM 1541 NE ARG A 682 -17.166 -2.717 5.059 1.00 0.30 N ATOM 1542 CZ ARG A 682 -17.893 -3.549 5.832 1.00 33.24 C ATOM 1543 NH1 ARG A 682 -17.378 -4.681 6.309 1.00 53.44 N ATOM 1544 NH2 ARG A 682 -19.161 -3.250 6.089 1.00 24.25 N ATOM 0 H ARG A 682 -12.145 -3.227 1.318 1.00 10.42 H new ATOM 0 HA ARG A 682 -12.755 -3.332 4.211 1.00 54.32 H new ATOM 0 HB2 ARG A 682 -13.895 -1.586 2.982 1.00 21.02 H new ATOM 0 HB3 ARG A 682 -14.173 -2.640 1.610 1.00 21.02 H new ATOM 0 HG2 ARG A 682 -16.249 -2.213 2.745 1.00 42.52 H new ATOM 0 HG3 ARG A 682 -15.836 -3.909 2.890 1.00 42.52 H new ATOM 0 HD2 ARG A 682 -15.295 -3.702 5.200 1.00 62.32 H new ATOM 0 HD3 ARG A 682 -15.190 -1.955 5.111 1.00 62.32 H new ATOM 0 HE ARG A 682 -17.666 -1.923 4.658 1.00 0.30 H new ATOM 0 HH11 ARG A 682 -16.414 -4.934 6.091 1.00 53.44 H new ATOM 0 HH12 ARG A 682 -17.947 -5.295 6.892 1.00 53.44 H new ATOM 0 HH21 ARG A 682 -19.573 -2.400 5.703 1.00 24.25 H new ATOM 0 HH22 ARG A 682 -19.723 -3.870 6.672 1.00 24.25 H new ATOM 1839 N GLU B 780 3.772 -3.101 16.451 1.00 3.23 N ATOM 1840 CA GLU B 780 4.419 -2.177 15.547 1.00 23.02 C ATOM 1841 C GLU B 780 3.406 -1.273 14.863 1.00 31.42 C ATOM 1842 O GLU B 780 2.662 -1.676 13.966 1.00 70.42 O ATOM 1843 CB GLU B 780 5.350 -2.898 14.574 1.00 73.13 C ATOM 1844 CG GLU B 780 4.699 -3.985 13.793 1.00 60.21 C ATOM 1845 CD GLU B 780 5.709 -4.793 13.037 1.00 71.41 C ATOM 1846 OE1 GLU B 780 6.430 -5.576 13.685 1.00 65.00 O ATOM 1847 OE2 GLU B 780 5.786 -4.700 11.812 1.00 63.23 O ATOM 0 HA GLU B 780 5.061 -1.520 16.134 1.00 23.02 H new ATOM 0 HB2 GLU B 780 5.767 -2.168 13.880 1.00 73.13 H new ATOM 0 HB3 GLU B 780 6.185 -3.319 15.134 1.00 73.13 H new ATOM 0 HG2 GLU B 780 4.141 -4.635 14.467 1.00 60.21 H new ATOM 0 HG3 GLU B 780 3.980 -3.554 13.096 1.00 60.21 H new ATOM 1854 N GLU B 781 3.379 -0.075 15.339 1.00 44.11 N ATOM 1855 CA GLU B 781 2.468 0.961 14.910 1.00 31.54 C ATOM 1856 C GLU B 781 3.223 1.978 14.073 1.00 45.10 C ATOM 1857 O GLU B 781 4.434 2.183 14.269 1.00 72.41 O ATOM 1858 CB GLU B 781 1.926 1.673 16.151 1.00 61.42 C ATOM 1859 CG GLU B 781 1.169 0.793 17.124 1.00 12.14 C ATOM 1860 CD GLU B 781 1.003 1.449 18.488 1.00 43.23 C ATOM 1861 OE1 GLU B 781 2.003 1.566 19.216 1.00 11.52 O ATOM 1862 OE2 GLU B 781 -0.120 1.820 18.859 1.00 11.53 O ATOM 0 H GLU B 781 4.016 0.235 16.072 1.00 44.11 H new ATOM 0 HA GLU B 781 1.658 0.523 14.327 1.00 31.54 H new ATOM 0 HB2 GLU B 781 2.761 2.135 16.678 1.00 61.42 H new ATOM 0 HB3 GLU B 781 1.268 2.479 15.828 1.00 61.42 H new ATOM 0 HG2 GLU B 781 0.186 0.562 16.713 1.00 12.14 H new ATOM 0 HG3 GLU B 781 1.697 -0.154 17.240 1.00 12.14 H new ATOM 1869 N LEU B 782 2.537 2.589 13.158 1.00 34.12 N ATOM 1870 CA LEU B 782 3.085 3.615 12.347 1.00 12.12 C ATOM 1871 C LEU B 782 1.988 4.680 12.217 1.00 61.41 C ATOM 1872 O LEU B 782 0.841 4.352 11.954 1.00 64.20 O ATOM 1873 CB LEU B 782 3.453 3.010 10.973 1.00 3.31 C ATOM 1874 CG LEU B 782 4.485 3.747 10.125 1.00 45.21 C ATOM 1875 CD1 LEU B 782 4.065 5.156 9.774 1.00 24.55 C ATOM 1876 CD2 LEU B 782 5.814 3.716 10.827 1.00 21.11 C ATOM 0 H LEU B 782 1.560 2.379 12.955 1.00 34.12 H new ATOM 0 HA LEU B 782 3.989 4.056 12.768 1.00 12.12 H new ATOM 0 HB2 LEU B 782 3.819 1.997 11.140 1.00 3.31 H new ATOM 0 HB3 LEU B 782 2.537 2.926 10.388 1.00 3.31 H new ATOM 0 HG LEU B 782 4.570 3.229 9.170 1.00 45.21 H new ATOM 0 HD11 LEU B 782 4.841 5.627 9.170 1.00 24.55 H new ATOM 0 HD12 LEU B 782 3.133 5.128 9.210 1.00 24.55 H new ATOM 0 HD13 LEU B 782 3.918 5.730 10.689 1.00 24.55 H new ATOM 0 HD21 LEU B 782 6.556 4.241 10.225 1.00 21.11 H new ATOM 0 HD22 LEU B 782 5.724 4.203 11.798 1.00 21.11 H new ATOM 0 HD23 LEU B 782 6.127 2.681 10.967 1.00 21.11 H new ATOM 1888 N ILE B 783 2.318 5.918 12.442 1.00 24.14 N ATOM 1889 CA ILE B 783 1.318 6.974 12.352 1.00 51.21 C ATOM 1890 C ILE B 783 1.562 7.808 11.120 1.00 21.03 C ATOM 1891 O ILE B 783 2.674 8.318 10.906 1.00 74.23 O ATOM 1892 CB ILE B 783 1.244 7.923 13.619 1.00 53.25 C ATOM 1893 CG1 ILE B 783 0.870 7.159 14.917 1.00 62.14 C ATOM 1894 CG2 ILE B 783 0.245 9.078 13.393 1.00 73.31 C ATOM 1895 CD1 ILE B 783 1.929 6.211 15.454 1.00 63.02 C ATOM 0 H ILE B 783 3.257 6.232 12.687 1.00 24.14 H new ATOM 0 HA ILE B 783 0.357 6.462 12.299 1.00 51.21 H new ATOM 0 HB ILE B 783 2.246 8.331 13.749 1.00 53.25 H new ATOM 0 HG12 ILE B 783 0.637 7.889 15.692 1.00 62.14 H new ATOM 0 HG13 ILE B 783 -0.040 6.589 14.731 1.00 62.14 H new ATOM 0 HG21 ILE B 783 0.216 9.712 14.279 1.00 73.31 H new ATOM 0 HG22 ILE B 783 0.561 9.669 12.534 1.00 73.31 H new ATOM 0 HG23 ILE B 783 -0.748 8.669 13.207 1.00 73.31 H new ATOM 0 HD11 ILE B 783 1.562 5.732 16.362 1.00 63.02 H new ATOM 0 HD12 ILE B 783 2.149 5.450 14.705 1.00 63.02 H new ATOM 0 HD13 ILE B 783 2.837 6.770 15.681 1.00 63.02 H new ATOM 1907 N ILE B 784 0.563 7.952 10.318 1.00 53.13 N ATOM 1908 CA ILE B 784 0.662 8.747 9.160 1.00 2.54 C ATOM 1909 C ILE B 784 -0.244 9.948 9.307 1.00 3.11 C ATOM 1910 O ILE B 784 0.247 11.003 9.720 1.00 37.02 O ATOM 1911 CB ILE B 784 0.413 7.961 7.832 1.00 2.54 C ATOM 1912 CG1 ILE B 784 -0.907 7.188 7.850 1.00 73.23 C ATOM 1913 CG2 ILE B 784 1.576 7.013 7.547 1.00 44.24 C ATOM 1914 CD1 ILE B 784 -1.246 6.572 6.515 1.00 11.01 C ATOM 1915 OXT ILE B 784 -1.434 9.844 9.063 1.00 37.02 O ATOM 0 H ILE B 784 -0.348 7.515 10.455 1.00 53.13 H new ATOM 0 HA ILE B 784 1.694 9.087 9.073 1.00 2.54 H new ATOM 0 HB ILE B 784 0.344 8.699 7.033 1.00 2.54 H new ATOM 0 HG12 ILE B 784 -0.852 6.402 8.603 1.00 73.23 H new ATOM 0 HG13 ILE B 784 -1.711 7.860 8.149 1.00 73.23 H new ATOM 0 HG21 ILE B 784 1.387 6.474 6.619 1.00 44.24 H new ATOM 0 HG22 ILE B 784 2.498 7.587 7.452 1.00 44.24 H new ATOM 0 HG23 ILE B 784 1.675 6.301 8.367 1.00 44.24 H new ATOM 0 HD11 ILE B 784 -2.193 6.037 6.591 1.00 11.01 H new ATOM 0 HD12 ILE B 784 -1.332 7.357 5.763 1.00 11.01 H new ATOM 0 HD13 ILE B 784 -0.459 5.876 6.225 1.00 11.01 H new