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= -0.037 X(o=-0.037,f=0) USER MOD Single : A 596 SER OG : rot 118:sc= 0.987 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= 0 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 622 LYS NZ :NH3+ 152:sc= 1.13 (180deg=1.02) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 631 SER OG : rot -77:sc= 0.255 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.0037) USER MOD Single : A 641 GLN : amide:sc= -0.151 K(o=-0.15,f=-3.6!) USER MOD Single : A 646 ASN : amide:sc= -2.65 K(o=-2.7,f=-5.2!) USER MOD Single : A 649 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 653 LYS NZ :NH3+ -139:sc= -1.09 (180deg=-3.35!) USER MOD Single : A 655 ASN : amide:sc= -0.705 K(o=-0.7,f=-5.3!) USER MOD Single : A 656 GLN : amide:sc= -3.35! K(o=-3.3!,f=-0.43) USER MOD Single : A 659 MET CE :methyl -160:sc= -0.916 (180deg=-1.34) USER MOD Single : A 661 THR OG1 : rot 70:sc= 0.555 USER MOD Single : A 665 SER OG : rot 89:sc= 1.29 USER MOD Single : A 666 MET CE :methyl 141:sc= -3.96! (180deg=-5.92!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 71:sc= 0.267 USER MOD Single : A 671 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl -148:sc= 0 (180deg=-1.28) USER MOD Single : A 677 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.698 -5.571 0.766 1.00 64.11 N ATOM 79 CA GLU A 585 -14.031 -4.757 -0.384 1.00 0.24 C ATOM 80 C GLU A 585 -12.958 -3.675 -0.517 1.00 41.22 C ATOM 81 O GLU A 585 -12.219 -3.431 0.433 1.00 52.23 O ATOM 82 CB GLU A 585 -15.432 -4.140 -0.236 1.00 14.41 C ATOM 83 CG GLU A 585 -15.587 -3.195 0.943 1.00 72.31 C ATOM 84 CD GLU A 585 -16.975 -2.617 1.046 1.00 21.33 C ATOM 85 OE1 GLU A 585 -17.436 -1.982 0.081 1.00 51.20 O ATOM 86 OE2 GLU A 585 -17.636 -2.806 2.078 1.00 33.31 O ATOM 0 HA GLU A 585 -14.054 -5.370 -1.285 1.00 0.24 H new ATOM 0 HB2 GLU A 585 -15.675 -3.600 -1.151 1.00 14.41 H new ATOM 0 HB3 GLU A 585 -16.160 -4.945 -0.137 1.00 14.41 H new ATOM 0 HG2 GLU A 585 -15.350 -3.728 1.864 1.00 72.31 H new ATOM 0 HG3 GLU A 585 -14.866 -2.383 0.850 1.00 72.31 H new ATOM 93 N PHE A 586 -12.863 -3.042 -1.660 1.00 34.42 N ATOM 94 CA PHE A 586 -11.816 -2.049 -1.895 1.00 12.12 C ATOM 95 C PHE A 586 -12.357 -0.649 -2.015 1.00 50.44 C ATOM 96 O PHE A 586 -13.340 -0.414 -2.724 1.00 11.11 O ATOM 97 CB PHE A 586 -10.999 -2.403 -3.130 1.00 52.23 C ATOM 98 CG PHE A 586 -10.144 -3.595 -2.914 1.00 2.23 C ATOM 99 CD1 PHE A 586 -10.636 -4.871 -3.105 1.00 75.35 C ATOM 100 CD2 PHE A 586 -8.844 -3.437 -2.495 1.00 11.11 C ATOM 101 CE1 PHE A 586 -9.841 -5.967 -2.877 1.00 54.04 C ATOM 102 CE2 PHE A 586 -8.049 -4.521 -2.269 1.00 3.03 C ATOM 103 CZ PHE A 586 -8.541 -5.795 -2.458 1.00 3.21 C ATOM 0 H PHE A 586 -13.493 -3.189 -2.449 1.00 34.42 H new ATOM 0 HA PHE A 586 -11.169 -2.071 -1.018 1.00 12.12 H new ATOM 0 HB2 PHE A 586 -11.672 -2.588 -3.968 1.00 52.23 H new ATOM 0 HB3 PHE A 586 -10.373 -1.554 -3.405 1.00 52.23 H new ATOM 0 HD1 PHE A 586 -11.655 -5.008 -3.437 1.00 75.35 H new ATOM 0 HD2 PHE A 586 -8.449 -2.444 -2.343 1.00 11.11 H new ATOM 0 HE1 PHE A 586 -10.235 -6.962 -3.026 1.00 54.04 H new ATOM 0 HE2 PHE A 586 -7.030 -4.381 -1.941 1.00 3.03 H new ATOM 0 HZ PHE A 586 -7.910 -6.653 -2.278 1.00 3.21 H new ATOM 113 N LEU A 587 -11.734 0.277 -1.317 1.00 72.41 N ATOM 114 CA LEU A 587 -12.114 1.671 -1.371 1.00 63.02 C ATOM 115 C LEU A 587 -10.896 2.526 -1.630 1.00 0.12 C ATOM 116 O LEU A 587 -9.813 2.264 -1.101 1.00 54.41 O ATOM 117 CB LEU A 587 -12.839 2.166 -0.094 1.00 72.11 C ATOM 118 CG LEU A 587 -14.205 1.541 0.258 1.00 70.21 C ATOM 119 CD1 LEU A 587 -14.074 0.122 0.774 1.00 14.54 C ATOM 120 CD2 LEU A 587 -14.950 2.412 1.240 1.00 63.14 C ATOM 0 H LEU A 587 -10.949 0.083 -0.696 1.00 72.41 H new ATOM 0 HA LEU A 587 -12.828 1.764 -2.190 1.00 63.02 H new ATOM 0 HB2 LEU A 587 -12.171 2.004 0.752 1.00 72.11 H new ATOM 0 HB3 LEU A 587 -12.980 3.243 -0.187 1.00 72.11 H new ATOM 0 HG LEU A 587 -14.783 1.486 -0.664 1.00 70.21 H new ATOM 0 HD11 LEU A 587 -15.063 -0.273 1.007 1.00 14.54 H new ATOM 0 HD12 LEU A 587 -13.605 -0.500 0.012 1.00 14.54 H new ATOM 0 HD13 LEU A 587 -13.460 0.118 1.674 1.00 14.54 H new ATOM 0 HD21 LEU A 587 -15.911 1.955 1.476 1.00 63.14 H new ATOM 0 HD22 LEU A 587 -14.363 2.515 2.153 1.00 63.14 H new ATOM 0 HD23 LEU A 587 -15.115 3.396 0.801 1.00 63.14 H new ATOM 132 N THR A 588 -11.066 3.523 -2.442 1.00 54.30 N ATOM 133 CA THR A 588 -9.985 4.415 -2.792 1.00 44.52 C ATOM 134 C THR A 588 -10.292 5.827 -2.293 1.00 43.01 C ATOM 135 O THR A 588 -11.328 6.404 -2.632 1.00 70.10 O ATOM 136 CB THR A 588 -9.765 4.426 -4.321 1.00 73.10 C ATOM 137 OG1 THR A 588 -9.565 3.074 -4.776 1.00 45.52 O ATOM 138 CG2 THR A 588 -8.544 5.263 -4.690 1.00 72.31 C ATOM 0 H THR A 588 -11.956 3.748 -2.886 1.00 54.30 H new ATOM 0 HA THR A 588 -9.071 4.060 -2.315 1.00 44.52 H new ATOM 0 HB THR A 588 -10.643 4.863 -4.797 1.00 73.10 H new ATOM 0 HG1 THR A 588 -9.426 3.072 -5.746 1.00 45.52 H new ATOM 0 HG21 THR A 588 -8.411 5.255 -5.772 1.00 72.31 H new ATOM 0 HG22 THR A 588 -8.690 6.288 -4.350 1.00 72.31 H new ATOM 0 HG23 THR A 588 -7.658 4.845 -4.212 1.00 72.31 H new ATOM 146 N PHE A 589 -9.419 6.362 -1.483 1.00 73.00 N ATOM 147 CA PHE A 589 -9.599 7.692 -0.941 1.00 24.24 C ATOM 148 C PHE A 589 -8.398 8.553 -1.220 1.00 13.00 C ATOM 149 O PHE A 589 -7.277 8.073 -1.171 1.00 53.54 O ATOM 150 CB PHE A 589 -9.820 7.629 0.568 1.00 62.14 C ATOM 151 CG PHE A 589 -11.057 6.912 0.910 1.00 64.22 C ATOM 152 CD1 PHE A 589 -12.260 7.409 0.487 1.00 2.35 C ATOM 153 CD2 PHE A 589 -11.032 5.741 1.643 1.00 44.32 C ATOM 154 CE1 PHE A 589 -13.416 6.771 0.767 1.00 31.44 C ATOM 155 CE2 PHE A 589 -12.197 5.088 1.940 1.00 51.13 C ATOM 156 CZ PHE A 589 -13.400 5.603 1.500 1.00 32.33 C ATOM 0 H PHE A 589 -8.565 5.895 -1.178 1.00 73.00 H new ATOM 0 HA PHE A 589 -10.474 8.128 -1.423 1.00 24.24 H new ATOM 0 HB2 PHE A 589 -8.971 7.134 1.039 1.00 62.14 H new ATOM 0 HB3 PHE A 589 -9.863 8.641 0.971 1.00 62.14 H new ATOM 0 HD1 PHE A 589 -12.285 8.327 -0.081 1.00 2.35 H new ATOM 0 HD2 PHE A 589 -10.089 5.339 1.983 1.00 44.32 H new ATOM 0 HE1 PHE A 589 -14.354 7.175 0.417 1.00 31.44 H new ATOM 0 HE2 PHE A 589 -12.176 4.174 2.516 1.00 51.13 H new ATOM 0 HZ PHE A 589 -14.324 5.093 1.729 1.00 32.33 H new ATOM 166 N GLU A 590 -8.611 9.801 -1.526 1.00 23.45 N ATOM 167 CA GLU A 590 -7.508 10.714 -1.668 1.00 52.13 C ATOM 168 C GLU A 590 -7.585 11.800 -0.623 1.00 25.34 C ATOM 169 O GLU A 590 -8.620 12.457 -0.443 1.00 14.43 O ATOM 170 CB GLU A 590 -7.310 11.258 -3.093 1.00 42.22 C ATOM 171 CG GLU A 590 -7.006 10.160 -4.099 1.00 51.43 C ATOM 172 CD GLU A 590 -6.487 10.665 -5.425 1.00 74.05 C ATOM 173 OE1 GLU A 590 -7.295 11.004 -6.312 1.00 44.44 O ATOM 174 OE2 GLU A 590 -5.249 10.689 -5.608 1.00 24.01 O ATOM 0 H GLU A 590 -9.532 10.210 -1.682 1.00 23.45 H new ATOM 0 HA GLU A 590 -6.601 10.136 -1.490 1.00 52.13 H new ATOM 0 HB2 GLU A 590 -8.209 11.791 -3.403 1.00 42.22 H new ATOM 0 HB3 GLU A 590 -6.495 11.981 -3.092 1.00 42.22 H new ATOM 0 HG2 GLU A 590 -6.271 9.481 -3.668 1.00 51.43 H new ATOM 0 HG3 GLU A 590 -7.912 9.580 -4.273 1.00 51.43 H new ATOM 181 N VAL A 591 -6.508 11.949 0.074 1.00 4.24 N ATOM 182 CA VAL A 591 -6.388 12.833 1.191 1.00 71.12 C ATOM 183 C VAL A 591 -5.343 13.871 0.882 1.00 54.15 C ATOM 184 O VAL A 591 -4.198 13.537 0.656 1.00 14.14 O ATOM 185 CB VAL A 591 -5.934 12.022 2.437 1.00 43.22 C ATOM 186 CG1 VAL A 591 -5.718 12.922 3.640 1.00 31.23 C ATOM 187 CG2 VAL A 591 -6.960 10.957 2.766 1.00 62.41 C ATOM 0 H VAL A 591 -5.649 11.437 -0.126 1.00 4.24 H new ATOM 0 HA VAL A 591 -7.347 13.312 1.388 1.00 71.12 H new ATOM 0 HB VAL A 591 -4.982 11.548 2.197 1.00 43.22 H new ATOM 0 HG11 VAL A 591 -5.401 12.321 4.492 1.00 31.23 H new ATOM 0 HG12 VAL A 591 -4.948 13.659 3.410 1.00 31.23 H new ATOM 0 HG13 VAL A 591 -6.649 13.434 3.883 1.00 31.23 H new ATOM 0 HG21 VAL A 591 -6.633 10.394 3.640 1.00 62.41 H new ATOM 0 HG22 VAL A 591 -7.920 11.429 2.977 1.00 62.41 H new ATOM 0 HG23 VAL A 591 -7.067 10.280 1.918 1.00 62.41 H new ATOM 197 N PRO A 592 -5.702 15.127 0.826 1.00 71.41 N ATOM 198 CA PRO A 592 -4.733 16.169 0.606 1.00 1.44 C ATOM 199 C PRO A 592 -3.967 16.449 1.886 1.00 61.54 C ATOM 200 O PRO A 592 -4.523 16.341 2.987 1.00 3.21 O ATOM 201 CB PRO A 592 -5.590 17.368 0.211 1.00 34.13 C ATOM 202 CG PRO A 592 -6.871 17.148 0.922 1.00 30.34 C ATOM 203 CD PRO A 592 -7.074 15.657 0.966 1.00 2.30 C ATOM 0 HA PRO A 592 -3.987 15.917 -0.148 1.00 1.44 H new ATOM 0 HB2 PRO A 592 -5.124 18.307 0.511 1.00 34.13 H new ATOM 0 HB3 PRO A 592 -5.736 17.415 -0.868 1.00 34.13 H new ATOM 0 HG2 PRO A 592 -6.835 17.566 1.928 1.00 30.34 H new ATOM 0 HG3 PRO A 592 -7.694 17.638 0.402 1.00 30.34 H new ATOM 0 HD2 PRO A 592 -7.535 15.340 1.902 1.00 2.30 H new ATOM 0 HD3 PRO A 592 -7.723 15.315 0.160 1.00 2.30 H new ATOM 211 N LEU A 593 -2.705 16.779 1.767 1.00 51.11 N ATOM 212 CA LEU A 593 -1.931 17.139 2.934 1.00 33.33 C ATOM 213 C LEU A 593 -2.268 18.561 3.292 1.00 42.33 C ATOM 214 O LEU A 593 -1.569 19.510 2.917 1.00 71.14 O ATOM 215 CB LEU A 593 -0.398 16.943 2.763 1.00 43.33 C ATOM 216 CG LEU A 593 0.152 15.498 2.636 1.00 2.23 C ATOM 217 CD1 LEU A 593 -0.251 14.642 3.824 1.00 12.10 C ATOM 218 CD2 LEU A 593 -0.249 14.839 1.328 1.00 11.11 C ATOM 0 H LEU A 593 -2.194 16.807 0.885 1.00 51.11 H new ATOM 0 HA LEU A 593 -2.201 16.460 3.743 1.00 33.33 H new ATOM 0 HB2 LEU A 593 -0.090 17.495 1.875 1.00 43.33 H new ATOM 0 HB3 LEU A 593 0.094 17.411 3.616 1.00 43.33 H new ATOM 0 HG LEU A 593 1.239 15.579 2.633 1.00 2.23 H new ATOM 0 HD11 LEU A 593 0.152 13.637 3.701 1.00 12.10 H new ATOM 0 HD12 LEU A 593 0.144 15.082 4.740 1.00 12.10 H new ATOM 0 HD13 LEU A 593 -1.338 14.593 3.885 1.00 12.10 H new ATOM 0 HD21 LEU A 593 0.161 13.830 1.288 1.00 11.11 H new ATOM 0 HD22 LEU A 593 -1.336 14.792 1.262 1.00 11.11 H new ATOM 0 HD23 LEU A 593 0.140 15.422 0.493 1.00 11.11 H new ATOM 230 N ASN A 594 -3.394 18.701 3.930 1.00 2.33 N ATOM 231 CA ASN A 594 -3.947 20.006 4.269 1.00 55.12 C ATOM 232 C ASN A 594 -4.315 20.077 5.729 1.00 75.40 C ATOM 233 O ASN A 594 -5.117 19.266 6.212 1.00 20.45 O ATOM 234 CB ASN A 594 -5.196 20.292 3.409 1.00 53.12 C ATOM 235 CG ASN A 594 -5.831 21.654 3.693 1.00 3.23 C ATOM 236 OD1 ASN A 594 -5.479 22.656 3.072 1.00 2.00 O ATOM 237 ND2 ASN A 594 -6.772 21.700 4.611 1.00 5.10 N ATOM 0 H ASN A 594 -3.968 17.916 4.237 1.00 2.33 H new ATOM 0 HA ASN A 594 -3.183 20.757 4.067 1.00 55.12 H new ATOM 0 HB2 ASN A 594 -4.922 20.240 2.355 1.00 53.12 H new ATOM 0 HB3 ASN A 594 -5.936 19.511 3.585 1.00 53.12 H new ATOM 0 HD21 ASN A 594 -7.232 22.585 4.825 1.00 5.10 H new ATOM 0 HD22 ASN A 594 -7.041 20.851 5.108 1.00 5.10 H new ATOM 244 N ASP A 595 -3.701 21.028 6.430 1.00 30.12 N ATOM 245 CA ASP A 595 -3.935 21.344 7.853 1.00 25.45 C ATOM 246 C ASP A 595 -3.269 20.338 8.764 1.00 5.11 C ATOM 247 O ASP A 595 -2.730 20.688 9.824 1.00 55.32 O ATOM 248 CB ASP A 595 -5.424 21.545 8.187 1.00 13.01 C ATOM 249 CG ASP A 595 -5.653 21.885 9.640 1.00 74.43 C ATOM 250 OD1 ASP A 595 -5.461 23.056 10.034 1.00 72.12 O ATOM 251 OD2 ASP A 595 -6.038 20.998 10.407 1.00 32.12 O ATOM 0 H ASP A 595 -2.994 21.631 6.010 1.00 30.12 H new ATOM 0 HA ASP A 595 -3.461 22.308 8.039 1.00 25.45 H new ATOM 0 HB2 ASP A 595 -5.828 22.342 7.563 1.00 13.01 H new ATOM 0 HB3 ASP A 595 -5.974 20.637 7.939 1.00 13.01 H new ATOM 256 N SER A 596 -3.284 19.109 8.350 1.00 1.23 N ATOM 257 CA SER A 596 -2.614 18.074 9.026 1.00 45.22 C ATOM 258 C SER A 596 -1.126 18.116 8.709 1.00 33.51 C ATOM 259 O SER A 596 -0.669 17.720 7.626 1.00 61.13 O ATOM 260 CB SER A 596 -3.276 16.736 8.714 1.00 44.13 C ATOM 261 OG SER A 596 -3.436 16.544 7.312 1.00 50.41 O ATOM 0 H SER A 596 -3.778 18.804 7.511 1.00 1.23 H new ATOM 0 HA SER A 596 -2.695 18.211 10.104 1.00 45.22 H new ATOM 0 HB2 SER A 596 -2.673 15.927 9.126 1.00 44.13 H new ATOM 0 HB3 SER A 596 -4.250 16.689 9.202 1.00 44.13 H new ATOM 0 HG SER A 596 -2.923 15.758 7.029 1.00 50.41 H new ATOM 267 N GLY A 597 -0.401 18.678 9.643 1.00 33.03 N ATOM 268 CA GLY A 597 1.024 18.792 9.548 1.00 72.44 C ATOM 269 C GLY A 597 1.692 18.023 10.652 1.00 31.32 C ATOM 270 O GLY A 597 2.774 17.473 10.471 1.00 3.43 O ATOM 0 H GLY A 597 -0.792 19.072 10.498 1.00 33.03 H new ATOM 0 HA2 GLY A 597 1.360 18.417 8.581 1.00 72.44 H new ATOM 0 HA3 GLY A 597 1.314 19.841 9.601 1.00 72.44 H new ATOM 274 N SER A 598 1.037 17.971 11.812 1.00 22.24 N ATOM 275 CA SER A 598 1.554 17.192 12.921 1.00 10.12 C ATOM 276 C SER A 598 1.278 15.722 12.683 1.00 72.34 C ATOM 277 O SER A 598 1.927 14.830 13.241 1.00 52.54 O ATOM 278 CB SER A 598 0.985 17.681 14.253 1.00 34.33 C ATOM 279 OG SER A 598 -0.438 17.705 14.221 1.00 31.13 O ATOM 0 H SER A 598 0.159 18.455 12.001 1.00 22.24 H new ATOM 0 HA SER A 598 2.634 17.327 12.981 1.00 10.12 H new ATOM 0 HB2 SER A 598 1.323 17.029 15.058 1.00 34.33 H new ATOM 0 HB3 SER A 598 1.364 18.679 14.470 1.00 34.33 H new ATOM 0 HG SER A 598 -0.779 18.019 15.084 1.00 31.13 H new ATOM 285 N ALA A 599 0.325 15.479 11.851 1.00 35.12 N ATOM 286 CA ALA A 599 0.010 14.193 11.417 1.00 63.12 C ATOM 287 C ALA A 599 -0.224 14.332 9.972 1.00 50.24 C ATOM 288 O ALA A 599 -0.829 15.294 9.566 1.00 13.51 O ATOM 289 CB ALA A 599 -1.209 13.663 12.126 1.00 42.41 C ATOM 0 H ALA A 599 -0.267 16.206 11.450 1.00 35.12 H new ATOM 0 HA ALA A 599 0.806 13.480 11.632 1.00 63.12 H new ATOM 0 HB1 ALA A 599 -1.431 12.658 11.767 1.00 42.41 H new ATOM 0 HB2 ALA A 599 -1.021 13.632 13.199 1.00 42.41 H new ATOM 0 HB3 ALA A 599 -2.059 14.315 11.926 1.00 42.41 H new ATOM 295 N GLY A 600 0.274 13.430 9.207 1.00 5.30 N ATOM 296 CA GLY A 600 0.145 13.540 7.768 1.00 33.43 C ATOM 297 C GLY A 600 -1.279 13.367 7.360 1.00 51.55 C ATOM 298 O GLY A 600 -1.885 14.242 6.738 1.00 24.01 O ATOM 0 H GLY A 600 0.776 12.604 9.534 1.00 5.30 H new ATOM 0 HA2 GLY A 600 0.509 14.512 7.437 1.00 33.43 H new ATOM 0 HA3 GLY A 600 0.764 12.785 7.282 1.00 33.43 H new ATOM 302 N LEU A 601 -1.816 12.256 7.730 1.00 14.30 N ATOM 303 CA LEU A 601 -3.183 11.950 7.476 1.00 72.51 C ATOM 304 C LEU A 601 -3.926 11.969 8.753 1.00 35.30 C ATOM 305 O LEU A 601 -5.131 12.233 8.781 1.00 32.33 O ATOM 306 CB LEU A 601 -3.349 10.578 6.826 1.00 72.44 C ATOM 307 CG LEU A 601 -2.871 10.433 5.386 1.00 62.02 C ATOM 308 CD1 LEU A 601 -1.380 10.506 5.288 1.00 53.11 C ATOM 309 CD2 LEU A 601 -3.388 9.159 4.789 1.00 32.15 C ATOM 0 H LEU A 601 -1.310 11.522 8.226 1.00 14.30 H new ATOM 0 HA LEU A 601 -3.572 12.699 6.787 1.00 72.51 H new ATOM 0 HB2 LEU A 601 -2.816 9.848 7.435 1.00 72.44 H new ATOM 0 HB3 LEU A 601 -4.405 10.312 6.861 1.00 72.44 H new ATOM 0 HG LEU A 601 -3.272 11.271 4.815 1.00 62.02 H new ATOM 0 HD11 LEU A 601 -1.078 10.399 4.246 1.00 53.11 H new ATOM 0 HD12 LEU A 601 -1.037 11.468 5.668 1.00 53.11 H new ATOM 0 HD13 LEU A 601 -0.937 9.704 5.879 1.00 53.11 H new ATOM 0 HD21 LEU A 601 -3.038 9.071 3.761 1.00 32.15 H new ATOM 0 HD22 LEU A 601 -3.025 8.311 5.370 1.00 32.15 H new ATOM 0 HD23 LEU A 601 -4.478 9.167 4.802 1.00 32.15 H new ATOM 321 N GLY A 602 -3.206 11.683 9.811 1.00 21.52 N ATOM 322 CA GLY A 602 -3.777 11.624 11.087 1.00 1.34 C ATOM 323 C GLY A 602 -4.499 10.348 11.253 1.00 63.15 C ATOM 324 O GLY A 602 -5.681 10.307 11.569 1.00 42.03 O ATOM 0 H GLY A 602 -2.205 11.488 9.785 1.00 21.52 H new ATOM 0 HA2 GLY A 602 -3.001 11.715 11.847 1.00 1.34 H new ATOM 0 HA3 GLY A 602 -4.461 12.461 11.228 1.00 1.34 H new ATOM 328 N VAL A 603 -3.800 9.291 10.981 1.00 33.34 N ATOM 329 CA VAL A 603 -4.304 7.989 11.196 1.00 0.55 C ATOM 330 C VAL A 603 -3.193 7.211 11.853 1.00 10.20 C ATOM 331 O VAL A 603 -2.012 7.536 11.680 1.00 62.30 O ATOM 332 CB VAL A 603 -4.700 7.276 9.852 1.00 32.45 C ATOM 333 CG1 VAL A 603 -5.390 5.959 10.105 1.00 30.43 C ATOM 334 CG2 VAL A 603 -5.553 8.160 8.961 1.00 52.53 C ATOM 0 H VAL A 603 -2.854 9.318 10.600 1.00 33.34 H new ATOM 0 HA VAL A 603 -5.205 8.040 11.807 1.00 0.55 H new ATOM 0 HB VAL A 603 -3.768 7.078 9.323 1.00 32.45 H new ATOM 0 HG11 VAL A 603 -5.649 5.495 9.153 1.00 30.43 H new ATOM 0 HG12 VAL A 603 -4.723 5.300 10.661 1.00 30.43 H new ATOM 0 HG13 VAL A 603 -6.297 6.129 10.684 1.00 30.43 H new ATOM 0 HG21 VAL A 603 -5.800 7.623 8.045 1.00 52.53 H new ATOM 0 HG22 VAL A 603 -6.471 8.427 9.485 1.00 52.53 H new ATOM 0 HG23 VAL A 603 -5.001 9.066 8.712 1.00 52.53 H new ATOM 344 N SER A 604 -3.537 6.248 12.611 1.00 52.15 N ATOM 345 CA SER A 604 -2.587 5.387 13.171 1.00 21.32 C ATOM 346 C SER A 604 -2.815 4.039 12.572 1.00 75.03 C ATOM 347 O SER A 604 -3.962 3.573 12.485 1.00 73.33 O ATOM 348 CB SER A 604 -2.740 5.338 14.686 1.00 71.24 C ATOM 349 OG SER A 604 -2.652 6.645 15.230 1.00 10.33 O ATOM 0 H SER A 604 -4.502 6.035 12.862 1.00 52.15 H new ATOM 0 HA SER A 604 -1.575 5.734 12.962 1.00 21.32 H new ATOM 0 HB2 SER A 604 -3.699 4.891 14.948 1.00 71.24 H new ATOM 0 HB3 SER A 604 -1.965 4.704 15.117 1.00 71.24 H new ATOM 0 HG SER A 604 -2.753 6.602 16.204 1.00 10.33 H new ATOM 355 N VAL A 605 -1.779 3.430 12.153 1.00 2.15 N ATOM 356 CA VAL A 605 -1.843 2.136 11.580 1.00 15.01 C ATOM 357 C VAL A 605 -0.943 1.170 12.292 1.00 61.21 C ATOM 358 O VAL A 605 -0.072 1.562 13.041 1.00 11.41 O ATOM 359 CB VAL A 605 -1.525 2.111 10.086 1.00 75.41 C ATOM 360 CG1 VAL A 605 -2.729 2.507 9.258 1.00 53.25 C ATOM 361 CG2 VAL A 605 -0.351 3.023 9.735 1.00 0.22 C ATOM 0 H VAL A 605 -0.838 3.820 12.197 1.00 2.15 H new ATOM 0 HA VAL A 605 -2.882 1.828 11.700 1.00 15.01 H new ATOM 0 HB VAL A 605 -1.249 1.083 9.850 1.00 75.41 H new ATOM 0 HG11 VAL A 605 -2.468 2.479 8.200 1.00 53.25 H new ATOM 0 HG12 VAL A 605 -3.546 1.812 9.449 1.00 53.25 H new ATOM 0 HG13 VAL A 605 -3.040 3.516 9.528 1.00 53.25 H new ATOM 0 HG21 VAL A 605 -0.160 2.974 8.663 1.00 0.22 H new ATOM 0 HG22 VAL A 605 -0.591 4.049 10.014 1.00 0.22 H new ATOM 0 HG23 VAL A 605 0.537 2.698 10.277 1.00 0.22 H new ATOM 371 N LYS A 606 -1.202 -0.072 12.092 1.00 40.54 N ATOM 372 CA LYS A 606 -0.431 -1.152 12.679 1.00 32.12 C ATOM 373 C LYS A 606 -0.471 -2.343 11.764 1.00 62.23 C ATOM 374 O LYS A 606 -1.397 -2.484 10.980 1.00 40.52 O ATOM 375 CB LYS A 606 -0.901 -1.544 14.079 1.00 2.43 C ATOM 376 CG LYS A 606 -2.302 -2.118 14.145 1.00 42.44 C ATOM 377 CD LYS A 606 -2.594 -2.600 15.542 1.00 60.11 C ATOM 378 CE LYS A 606 -3.979 -3.199 15.667 1.00 51.44 C ATOM 379 NZ LYS A 606 -4.219 -3.733 17.024 1.00 44.11 N ATOM 0 H LYS A 606 -1.971 -0.392 11.504 1.00 40.54 H new ATOM 0 HA LYS A 606 0.591 -0.792 12.794 1.00 32.12 H new ATOM 0 HB2 LYS A 606 -0.205 -2.276 14.488 1.00 2.43 H new ATOM 0 HB3 LYS A 606 -0.854 -0.665 14.722 1.00 2.43 H new ATOM 0 HG2 LYS A 606 -3.029 -1.360 13.853 1.00 42.44 H new ATOM 0 HG3 LYS A 606 -2.400 -2.942 13.439 1.00 42.44 H new ATOM 0 HD2 LYS A 606 -1.852 -3.345 15.829 1.00 60.11 H new ATOM 0 HD3 LYS A 606 -2.497 -1.767 16.239 1.00 60.11 H new ATOM 0 HE2 LYS A 606 -4.727 -2.440 15.436 1.00 51.44 H new ATOM 0 HE3 LYS A 606 -4.099 -3.997 14.935 1.00 51.44 H new ATOM 0 HZ1 LYS A 606 -5.177 -4.136 17.074 1.00 44.11 H new ATOM 0 HZ2 LYS A 606 -3.520 -4.474 17.234 1.00 44.11 H new ATOM 0 HZ3 LYS A 606 -4.129 -2.965 17.720 1.00 44.11 H new ATOM 393 N GLY A 607 0.508 -3.177 11.832 1.00 52.13 N ATOM 394 CA GLY A 607 0.514 -4.307 10.957 1.00 60.22 C ATOM 395 C GLY A 607 0.162 -5.581 11.660 1.00 4.14 C ATOM 396 O GLY A 607 0.760 -5.923 12.672 1.00 64.43 O ATOM 0 H GLY A 607 1.302 -3.106 12.469 1.00 52.13 H new ATOM 0 HA2 GLY A 607 -0.193 -4.137 10.145 1.00 60.22 H new ATOM 0 HA3 GLY A 607 1.501 -4.407 10.505 1.00 60.22 H new ATOM 400 N ASN A 608 -0.820 -6.277 11.139 1.00 32.44 N ATOM 401 CA ASN A 608 -1.224 -7.555 11.692 1.00 53.34 C ATOM 402 C ASN A 608 -0.506 -8.620 10.892 1.00 20.32 C ATOM 403 O ASN A 608 -0.483 -8.574 9.651 1.00 21.55 O ATOM 404 CB ASN A 608 -2.758 -7.734 11.605 1.00 52.34 C ATOM 405 CG ASN A 608 -3.299 -8.984 12.319 1.00 11.21 C ATOM 406 OD1 ASN A 608 -2.626 -10.003 12.450 1.00 12.22 O ATOM 407 ND2 ASN A 608 -4.524 -8.911 12.776 1.00 34.21 N ATOM 0 H ASN A 608 -1.360 -5.980 10.326 1.00 32.44 H new ATOM 0 HA ASN A 608 -0.963 -7.623 12.748 1.00 53.34 H new ATOM 0 HB2 ASN A 608 -3.238 -6.853 12.030 1.00 52.34 H new ATOM 0 HB3 ASN A 608 -3.046 -7.778 10.555 1.00 52.34 H new ATOM 0 HD21 ASN A 608 -4.939 -9.711 13.253 1.00 34.21 H new ATOM 0 HD22 ASN A 608 -5.063 -8.054 12.655 1.00 34.21 H new ATOM 414 N ARG A 609 0.115 -9.526 11.565 1.00 75.24 N ATOM 415 CA ARG A 609 0.900 -10.530 10.923 1.00 54.41 C ATOM 416 C ARG A 609 0.622 -11.894 11.493 1.00 60.20 C ATOM 417 O ARG A 609 0.565 -12.064 12.707 1.00 5.41 O ATOM 418 CB ARG A 609 2.366 -10.161 11.074 1.00 61.42 C ATOM 419 CG ARG A 609 3.369 -11.174 10.551 1.00 73.03 C ATOM 420 CD ARG A 609 4.767 -10.644 10.760 1.00 1.51 C ATOM 421 NE ARG A 609 5.008 -10.313 12.172 1.00 31.14 N ATOM 422 CZ ARG A 609 5.412 -9.106 12.618 1.00 21.44 C ATOM 423 NH1 ARG A 609 5.569 -8.096 11.765 1.00 23.20 N ATOM 424 NH2 ARG A 609 5.607 -8.896 13.908 1.00 13.12 N ATOM 0 H ARG A 609 0.094 -9.594 12.583 1.00 75.24 H new ATOM 0 HA ARG A 609 0.638 -10.575 9.866 1.00 54.41 H new ATOM 0 HB2 ARG A 609 2.536 -9.214 10.561 1.00 61.42 H new ATOM 0 HB3 ARG A 609 2.570 -9.992 12.131 1.00 61.42 H new ATOM 0 HG2 ARG A 609 3.247 -12.125 11.069 1.00 73.03 H new ATOM 0 HG3 ARG A 609 3.194 -11.363 9.492 1.00 73.03 H new ATOM 0 HD2 ARG A 609 5.493 -11.387 10.430 1.00 1.51 H new ATOM 0 HD3 ARG A 609 4.917 -9.756 10.146 1.00 1.51 H new ATOM 0 HE ARG A 609 4.859 -11.048 12.863 1.00 31.14 H new ATOM 0 HH11 ARG A 609 5.384 -8.234 10.772 1.00 23.20 H new ATOM 0 HH12 ARG A 609 5.875 -7.184 12.105 1.00 23.20 H new ATOM 0 HH21 ARG A 609 5.452 -9.650 14.577 1.00 13.12 H new ATOM 0 HH22 ARG A 609 5.913 -7.979 14.235 1.00 13.12 H new ATOM 438 N SER A 610 0.449 -12.858 10.633 1.00 60.25 N ATOM 439 CA SER A 610 0.292 -14.210 11.060 1.00 63.40 C ATOM 440 C SER A 610 1.692 -14.767 11.326 1.00 52.51 C ATOM 441 O SER A 610 2.389 -15.178 10.406 1.00 75.54 O ATOM 442 CB SER A 610 -0.436 -15.022 9.982 1.00 25.41 C ATOM 443 OG SER A 610 -1.700 -14.437 9.673 1.00 21.44 O ATOM 0 H SER A 610 0.414 -12.725 9.622 1.00 60.25 H new ATOM 0 HA SER A 610 -0.310 -14.269 11.967 1.00 63.40 H new ATOM 0 HB2 SER A 610 0.177 -15.071 9.082 1.00 25.41 H new ATOM 0 HB3 SER A 610 -0.579 -16.046 10.327 1.00 25.41 H new ATOM 0 HG SER A 610 -2.147 -14.969 8.982 1.00 21.44 H new ATOM 518 N ALA A 615 3.646 -14.783 7.483 1.00 45.24 N ATOM 519 CA ALA A 615 3.196 -13.861 6.475 1.00 22.24 C ATOM 520 C ALA A 615 2.324 -12.820 7.122 1.00 55.13 C ATOM 521 O ALA A 615 1.714 -13.069 8.160 1.00 22.44 O ATOM 522 CB ALA A 615 2.455 -14.573 5.361 1.00 33.21 C ATOM 0 HA ALA A 615 4.063 -13.381 6.021 1.00 22.24 H new ATOM 0 HB1 ALA A 615 2.130 -13.845 4.617 1.00 33.21 H new ATOM 0 HB2 ALA A 615 3.116 -15.301 4.891 1.00 33.21 H new ATOM 0 HB3 ALA A 615 1.585 -15.085 5.772 1.00 33.21 H new ATOM 528 N ASP A 616 2.272 -11.675 6.537 1.00 54.33 N ATOM 529 CA ASP A 616 1.535 -10.564 7.077 1.00 75.53 C ATOM 530 C ASP A 616 0.121 -10.565 6.547 1.00 45.44 C ATOM 531 O ASP A 616 -0.169 -11.156 5.497 1.00 34.23 O ATOM 532 CB ASP A 616 2.209 -9.252 6.670 1.00 55.42 C ATOM 533 CG ASP A 616 2.161 -9.026 5.168 1.00 64.42 C ATOM 534 OD1 ASP A 616 2.907 -9.719 4.422 1.00 43.31 O ATOM 535 OD2 ASP A 616 1.380 -8.174 4.720 1.00 73.21 O ATOM 0 H ASP A 616 2.744 -11.471 5.656 1.00 54.33 H new ATOM 0 HA ASP A 616 1.517 -10.656 8.163 1.00 75.53 H new ATOM 0 HB2 ASP A 616 1.719 -8.421 7.177 1.00 55.42 H new ATOM 0 HB3 ASP A 616 3.247 -9.260 7.002 1.00 55.42 H new ATOM 540 N LEU A 617 -0.759 -9.922 7.268 1.00 70.23 N ATOM 541 CA LEU A 617 -2.111 -9.729 6.806 1.00 43.32 C ATOM 542 C LEU A 617 -2.212 -8.334 6.213 1.00 33.52 C ATOM 543 O LEU A 617 -3.220 -7.963 5.608 1.00 3.30 O ATOM 544 CB LEU A 617 -3.121 -9.908 7.949 1.00 30.40 C ATOM 545 CG LEU A 617 -3.159 -11.285 8.625 1.00 14.23 C ATOM 546 CD1 LEU A 617 -4.219 -11.316 9.709 1.00 44.31 C ATOM 547 CD2 LEU A 617 -3.416 -12.385 7.609 1.00 74.44 C ATOM 0 H LEU A 617 -0.563 -9.520 8.185 1.00 70.23 H new ATOM 0 HA LEU A 617 -2.350 -10.477 6.050 1.00 43.32 H new ATOM 0 HB2 LEU A 617 -2.907 -9.160 8.712 1.00 30.40 H new ATOM 0 HB3 LEU A 617 -4.116 -9.692 7.561 1.00 30.40 H new ATOM 0 HG LEU A 617 -2.185 -11.462 9.081 1.00 14.23 H new ATOM 0 HD11 LEU A 617 -4.232 -12.300 10.177 1.00 44.31 H new ATOM 0 HD12 LEU A 617 -3.993 -10.559 10.460 1.00 44.31 H new ATOM 0 HD13 LEU A 617 -5.195 -11.111 9.269 1.00 44.31 H new ATOM 0 HD21 LEU A 617 -3.438 -13.350 8.115 1.00 74.44 H new ATOM 0 HD22 LEU A 617 -4.374 -12.211 7.119 1.00 74.44 H new ATOM 0 HD23 LEU A 617 -2.621 -12.384 6.863 1.00 74.44 H new ATOM 559 N GLY A 618 -1.137 -7.587 6.386 1.00 21.21 N ATOM 560 CA GLY A 618 -1.022 -6.244 5.884 1.00 3.03 C ATOM 561 C GLY A 618 -1.063 -5.227 6.992 1.00 75.31 C ATOM 562 O GLY A 618 -1.011 -5.581 8.185 1.00 20.34 O ATOM 0 H GLY A 618 -0.310 -7.908 6.889 1.00 21.21 H new ATOM 0 HA2 GLY A 618 -0.088 -6.142 5.331 1.00 3.03 H new ATOM 0 HA3 GLY A 618 -1.832 -6.048 5.181 1.00 3.03 H new ATOM 566 N ILE A 619 -1.129 -3.978 6.622 1.00 71.20 N ATOM 567 CA ILE A 619 -1.196 -2.893 7.572 1.00 12.10 C ATOM 568 C ILE A 619 -2.662 -2.489 7.735 1.00 70.32 C ATOM 569 O ILE A 619 -3.365 -2.317 6.747 1.00 64.13 O ATOM 570 CB ILE A 619 -0.361 -1.670 7.078 1.00 52.14 C ATOM 571 CG1 ILE A 619 1.105 -2.072 6.809 1.00 60.41 C ATOM 572 CG2 ILE A 619 -0.409 -0.539 8.090 1.00 23.00 C ATOM 573 CD1 ILE A 619 1.863 -2.576 8.030 1.00 43.53 C ATOM 0 H ILE A 619 -1.138 -3.678 5.647 1.00 71.20 H new ATOM 0 HA ILE A 619 -0.781 -3.218 8.526 1.00 12.10 H new ATOM 0 HB ILE A 619 -0.804 -1.325 6.144 1.00 52.14 H new ATOM 0 HG12 ILE A 619 1.120 -2.848 6.044 1.00 60.41 H new ATOM 0 HG13 ILE A 619 1.634 -1.211 6.400 1.00 60.41 H new ATOM 0 HG21 ILE A 619 0.180 0.302 7.724 1.00 23.00 H new ATOM 0 HG22 ILE A 619 -1.442 -0.223 8.234 1.00 23.00 H new ATOM 0 HG23 ILE A 619 0.001 -0.883 9.040 1.00 23.00 H new ATOM 0 HD11 ILE A 619 2.883 -2.834 7.744 1.00 43.53 H new ATOM 0 HD12 ILE A 619 1.886 -1.796 8.791 1.00 43.53 H new ATOM 0 HD13 ILE A 619 1.364 -3.459 8.429 1.00 43.53 H new ATOM 585 N PHE A 620 -3.115 -2.372 8.953 1.00 0.35 N ATOM 586 CA PHE A 620 -4.495 -2.021 9.240 1.00 2.33 C ATOM 587 C PHE A 620 -4.547 -0.771 10.086 1.00 62.01 C ATOM 588 O PHE A 620 -3.652 -0.530 10.898 1.00 3.21 O ATOM 589 CB PHE A 620 -5.193 -3.137 10.028 1.00 54.40 C ATOM 590 CG PHE A 620 -5.321 -4.466 9.339 1.00 23.44 C ATOM 591 CD1 PHE A 620 -4.262 -5.359 9.316 1.00 55.21 C ATOM 592 CD2 PHE A 620 -6.517 -4.838 8.744 1.00 22.32 C ATOM 593 CE1 PHE A 620 -4.395 -6.590 8.714 1.00 3.45 C ATOM 594 CE2 PHE A 620 -6.651 -6.070 8.139 1.00 2.14 C ATOM 595 CZ PHE A 620 -5.589 -6.948 8.127 1.00 1.14 C ATOM 0 H PHE A 620 -2.541 -2.516 9.784 1.00 0.35 H new ATOM 0 HA PHE A 620 -4.997 -1.867 8.285 1.00 2.33 H new ATOM 0 HB2 PHE A 620 -4.649 -3.287 10.961 1.00 54.40 H new ATOM 0 HB3 PHE A 620 -6.193 -2.793 10.294 1.00 54.40 H new ATOM 0 HD1 PHE A 620 -3.323 -5.087 9.775 1.00 55.21 H new ATOM 0 HD2 PHE A 620 -7.353 -4.155 8.755 1.00 22.32 H new ATOM 0 HE1 PHE A 620 -3.561 -7.277 8.702 1.00 3.45 H new ATOM 0 HE2 PHE A 620 -7.587 -6.346 7.675 1.00 2.14 H new ATOM 0 HZ PHE A 620 -5.692 -7.915 7.658 1.00 1.14 H new ATOM 605 N VAL A 621 -5.555 0.027 9.873 1.00 72.52 N ATOM 606 CA VAL A 621 -5.813 1.176 10.717 1.00 53.21 C ATOM 607 C VAL A 621 -6.176 0.711 12.126 1.00 0.34 C ATOM 608 O VAL A 621 -7.032 -0.129 12.306 1.00 71.35 O ATOM 609 CB VAL A 621 -6.963 2.044 10.156 1.00 33.10 C ATOM 610 CG1 VAL A 621 -7.256 3.218 11.074 1.00 12.02 C ATOM 611 CG2 VAL A 621 -6.625 2.538 8.766 1.00 65.11 C ATOM 0 H VAL A 621 -6.224 -0.094 9.113 1.00 72.52 H new ATOM 0 HA VAL A 621 -4.907 1.781 10.743 1.00 53.21 H new ATOM 0 HB VAL A 621 -7.857 1.423 10.100 1.00 33.10 H new ATOM 0 HG11 VAL A 621 -8.069 3.812 10.656 1.00 12.02 H new ATOM 0 HG12 VAL A 621 -7.546 2.848 12.057 1.00 12.02 H new ATOM 0 HG13 VAL A 621 -6.364 3.838 11.168 1.00 12.02 H new ATOM 0 HG21 VAL A 621 -7.446 3.147 8.387 1.00 65.11 H new ATOM 0 HG22 VAL A 621 -5.715 3.138 8.804 1.00 65.11 H new ATOM 0 HG23 VAL A 621 -6.470 1.686 8.105 1.00 65.11 H new ATOM 621 N LYS A 622 -5.509 1.242 13.092 1.00 5.10 N ATOM 622 CA LYS A 622 -5.777 0.926 14.486 1.00 13.13 C ATOM 623 C LYS A 622 -6.641 2.001 15.122 1.00 12.11 C ATOM 624 O LYS A 622 -7.581 1.702 15.848 1.00 1.24 O ATOM 625 CB LYS A 622 -4.462 0.764 15.256 1.00 74.44 C ATOM 626 CG LYS A 622 -3.440 1.776 14.815 1.00 33.21 C ATOM 627 CD LYS A 622 -2.205 1.841 15.651 1.00 13.24 C ATOM 628 CE LYS A 622 -2.531 2.421 17.026 1.00 2.13 C ATOM 629 NZ LYS A 622 -1.341 2.697 17.838 1.00 24.42 N ATOM 0 H LYS A 622 -4.754 1.914 12.955 1.00 5.10 H new ATOM 0 HA LYS A 622 -6.322 -0.017 14.529 1.00 13.13 H new ATOM 0 HB2 LYS A 622 -4.648 0.874 16.324 1.00 74.44 H new ATOM 0 HB3 LYS A 622 -4.070 -0.242 15.103 1.00 74.44 H new ATOM 0 HG2 LYS A 622 -3.152 1.553 13.788 1.00 33.21 H new ATOM 0 HG3 LYS A 622 -3.907 2.761 14.809 1.00 33.21 H new ATOM 0 HD2 LYS A 622 -1.778 0.844 15.760 1.00 13.24 H new ATOM 0 HD3 LYS A 622 -1.454 2.457 15.157 1.00 13.24 H new ATOM 0 HE2 LYS A 622 -3.097 3.344 16.898 1.00 2.13 H new ATOM 0 HE3 LYS A 622 -3.175 1.724 17.563 1.00 2.13 H new ATOM 0 HZ1 LYS A 622 -1.544 3.475 18.497 1.00 24.42 H new ATOM 0 HZ2 LYS A 622 -1.083 1.845 18.376 1.00 24.42 H new ATOM 0 HZ3 LYS A 622 -0.552 2.966 17.217 1.00 24.42 H new ATOM 643 N SER A 623 -6.315 3.243 14.856 1.00 34.04 N ATOM 644 CA SER A 623 -7.044 4.341 15.404 1.00 72.41 C ATOM 645 C SER A 623 -6.982 5.516 14.439 1.00 70.12 C ATOM 646 O SER A 623 -5.985 5.698 13.729 1.00 0.11 O ATOM 647 CB SER A 623 -6.480 4.716 16.785 1.00 42.25 C ATOM 648 OG SER A 623 -7.245 5.732 17.425 1.00 71.22 O ATOM 0 H SER A 623 -5.537 3.512 14.254 1.00 34.04 H new ATOM 0 HA SER A 623 -8.088 4.060 15.541 1.00 72.41 H new ATOM 0 HB2 SER A 623 -6.457 3.829 17.418 1.00 42.25 H new ATOM 0 HB3 SER A 623 -5.450 5.056 16.674 1.00 42.25 H new ATOM 0 HG SER A 623 -6.851 5.936 18.299 1.00 71.22 H new ATOM 654 N ILE A 624 -8.031 6.275 14.394 1.00 62.05 N ATOM 655 CA ILE A 624 -8.116 7.448 13.579 1.00 52.22 C ATOM 656 C ILE A 624 -7.794 8.663 14.438 1.00 61.31 C ATOM 657 O ILE A 624 -8.201 8.734 15.599 1.00 52.24 O ATOM 658 CB ILE A 624 -9.549 7.605 12.924 1.00 44.43 C ATOM 659 CG1 ILE A 624 -9.832 6.512 11.867 1.00 64.45 C ATOM 660 CG2 ILE A 624 -9.746 8.980 12.310 1.00 64.43 C ATOM 661 CD1 ILE A 624 -9.926 5.098 12.381 1.00 21.22 C ATOM 0 H ILE A 624 -8.875 6.092 14.937 1.00 62.05 H new ATOM 0 HA ILE A 624 -7.398 7.360 12.764 1.00 52.22 H new ATOM 0 HB ILE A 624 -10.264 7.485 13.738 1.00 44.43 H new ATOM 0 HG12 ILE A 624 -10.767 6.756 11.363 1.00 64.45 H new ATOM 0 HG13 ILE A 624 -9.045 6.551 11.114 1.00 64.45 H new ATOM 0 HG21 ILE A 624 -10.742 9.044 11.872 1.00 64.43 H new ATOM 0 HG22 ILE A 624 -9.640 9.742 13.082 1.00 64.43 H new ATOM 0 HG23 ILE A 624 -8.998 9.143 11.534 1.00 64.43 H new ATOM 0 HD11 ILE A 624 -10.127 4.421 11.550 1.00 21.22 H new ATOM 0 HD12 ILE A 624 -8.985 4.820 12.856 1.00 21.22 H new ATOM 0 HD13 ILE A 624 -10.734 5.028 13.109 1.00 21.22 H new ATOM 673 N ILE A 625 -7.043 9.584 13.890 1.00 3.44 N ATOM 674 CA ILE A 625 -6.701 10.801 14.598 1.00 14.12 C ATOM 675 C ILE A 625 -7.633 11.911 14.150 1.00 64.02 C ATOM 676 O ILE A 625 -7.660 12.284 12.966 1.00 72.25 O ATOM 677 CB ILE A 625 -5.213 11.233 14.372 1.00 63.03 C ATOM 678 CG1 ILE A 625 -4.251 10.142 14.880 1.00 51.42 C ATOM 679 CG2 ILE A 625 -4.923 12.567 15.063 1.00 51.11 C ATOM 680 CD1 ILE A 625 -2.781 10.457 14.643 1.00 50.24 C ATOM 0 H ILE A 625 -6.652 9.518 12.950 1.00 3.44 H new ATOM 0 HA ILE A 625 -6.816 10.608 15.665 1.00 14.12 H new ATOM 0 HB ILE A 625 -5.055 11.363 13.301 1.00 63.03 H new ATOM 0 HG12 ILE A 625 -4.414 9.997 15.948 1.00 51.42 H new ATOM 0 HG13 ILE A 625 -4.494 9.200 14.389 1.00 51.42 H new ATOM 0 HG21 ILE A 625 -3.883 12.847 14.892 1.00 51.11 H new ATOM 0 HG22 ILE A 625 -5.578 13.338 14.656 1.00 51.11 H new ATOM 0 HG23 ILE A 625 -5.101 12.468 16.134 1.00 51.11 H new ATOM 0 HD11 ILE A 625 -2.168 9.642 15.028 1.00 50.24 H new ATOM 0 HD12 ILE A 625 -2.601 10.573 13.574 1.00 50.24 H new ATOM 0 HD13 ILE A 625 -2.520 11.382 15.157 1.00 50.24 H new ATOM 692 N ASN A 626 -8.409 12.415 15.074 1.00 70.54 N ATOM 693 CA ASN A 626 -9.332 13.485 14.784 1.00 64.14 C ATOM 694 C ASN A 626 -8.573 14.745 14.439 1.00 62.31 C ATOM 695 O ASN A 626 -7.630 15.134 15.141 1.00 51.11 O ATOM 696 CB ASN A 626 -10.315 13.722 15.940 1.00 61.54 C ATOM 697 CG ASN A 626 -11.208 12.520 16.203 1.00 64.34 C ATOM 698 OD1 ASN A 626 -12.273 12.384 15.596 1.00 2.25 O ATOM 699 ND2 ASN A 626 -10.799 11.652 17.100 1.00 45.33 N ATOM 0 H ASN A 626 -8.421 12.099 16.044 1.00 70.54 H new ATOM 0 HA ASN A 626 -9.930 13.192 13.921 1.00 64.14 H new ATOM 0 HB2 ASN A 626 -9.756 13.959 16.845 1.00 61.54 H new ATOM 0 HB3 ASN A 626 -10.936 14.589 15.712 1.00 61.54 H new ATOM 0 HD21 ASN A 626 -11.368 10.833 17.314 1.00 45.33 H new ATOM 0 HD22 ASN A 626 -9.912 11.797 17.583 1.00 45.33 H new ATOM 706 N GLY A 627 -8.961 15.362 13.356 1.00 61.42 N ATOM 707 CA GLY A 627 -8.269 16.523 12.881 1.00 62.22 C ATOM 708 C GLY A 627 -7.500 16.214 11.628 1.00 42.53 C ATOM 709 O GLY A 627 -7.214 17.103 10.831 1.00 62.23 O ATOM 0 H GLY A 627 -9.757 15.076 12.785 1.00 61.42 H new ATOM 0 HA2 GLY A 627 -8.984 17.323 12.686 1.00 62.22 H new ATOM 0 HA3 GLY A 627 -7.587 16.885 13.651 1.00 62.22 H new ATOM 713 N GLY A 628 -7.168 14.951 11.449 1.00 25.14 N ATOM 714 CA GLY A 628 -6.432 14.541 10.289 1.00 73.23 C ATOM 715 C GLY A 628 -7.261 14.644 9.030 1.00 11.32 C ATOM 716 O GLY A 628 -8.474 14.380 9.053 1.00 1.24 O ATOM 0 H GLY A 628 -7.400 14.198 12.096 1.00 25.14 H new ATOM 0 HA2 GLY A 628 -5.540 15.159 10.188 1.00 73.23 H new ATOM 0 HA3 GLY A 628 -6.094 13.513 10.418 1.00 73.23 H new ATOM 720 N ALA A 629 -6.623 15.014 7.936 1.00 43.13 N ATOM 721 CA ALA A 629 -7.299 15.182 6.660 1.00 20.23 C ATOM 722 C ALA A 629 -7.935 13.876 6.182 1.00 73.11 C ATOM 723 O ALA A 629 -9.005 13.883 5.604 1.00 12.51 O ATOM 724 CB ALA A 629 -6.338 15.732 5.626 1.00 52.04 C ATOM 0 H ALA A 629 -5.622 15.207 7.905 1.00 43.13 H new ATOM 0 HA ALA A 629 -8.108 15.900 6.799 1.00 20.23 H new ATOM 0 HB1 ALA A 629 -6.857 15.853 4.675 1.00 52.04 H new ATOM 0 HB2 ALA A 629 -5.960 16.699 5.959 1.00 52.04 H new ATOM 0 HB3 ALA A 629 -5.505 15.041 5.499 1.00 52.04 H new ATOM 730 N ALA A 630 -7.279 12.755 6.459 1.00 75.14 N ATOM 731 CA ALA A 630 -7.800 11.435 6.083 1.00 22.50 C ATOM 732 C ALA A 630 -9.059 11.121 6.831 1.00 44.05 C ATOM 733 O ALA A 630 -9.903 10.359 6.363 1.00 35.21 O ATOM 734 CB ALA A 630 -6.776 10.358 6.319 1.00 54.04 C ATOM 0 H ALA A 630 -6.382 12.728 6.944 1.00 75.14 H new ATOM 0 HA ALA A 630 -8.028 11.466 5.017 1.00 22.50 H new ATOM 0 HB1 ALA A 630 -7.191 9.392 6.031 1.00 54.04 H new ATOM 0 HB2 ALA A 630 -5.888 10.564 5.722 1.00 54.04 H new ATOM 0 HB3 ALA A 630 -6.507 10.337 7.375 1.00 54.04 H new ATOM 740 N SER A 631 -9.189 11.706 7.973 1.00 73.52 N ATOM 741 CA SER A 631 -10.357 11.502 8.776 1.00 3.21 C ATOM 742 C SER A 631 -11.504 12.308 8.181 1.00 55.32 C ATOM 743 O SER A 631 -12.588 11.781 7.943 1.00 62.21 O ATOM 744 CB SER A 631 -10.095 11.911 10.238 1.00 11.10 C ATOM 745 OG SER A 631 -11.229 11.663 11.062 1.00 51.25 O ATOM 0 H SER A 631 -8.497 12.336 8.379 1.00 73.52 H new ATOM 0 HA SER A 631 -10.619 10.444 8.779 1.00 3.21 H new ATOM 0 HB2 SER A 631 -9.237 11.359 10.623 1.00 11.10 H new ATOM 0 HB3 SER A 631 -9.838 12.970 10.280 1.00 11.10 H new ATOM 0 HG SER A 631 -11.901 12.360 10.912 1.00 51.25 H new ATOM 751 N LYS A 632 -11.231 13.566 7.891 1.00 20.22 N ATOM 752 CA LYS A 632 -12.232 14.479 7.360 1.00 1.23 C ATOM 753 C LYS A 632 -12.654 14.080 5.936 1.00 22.10 C ATOM 754 O LYS A 632 -13.849 13.937 5.640 1.00 15.55 O ATOM 755 CB LYS A 632 -11.628 15.887 7.325 1.00 11.34 C ATOM 756 CG LYS A 632 -11.153 16.395 8.682 1.00 40.22 C ATOM 757 CD LYS A 632 -10.386 17.714 8.568 1.00 32.03 C ATOM 758 CE LYS A 632 -11.238 18.834 7.992 1.00 31.41 C ATOM 759 NZ LYS A 632 -10.484 20.106 7.903 1.00 14.41 N ATOM 0 H LYS A 632 -10.310 13.986 8.016 1.00 20.22 H new ATOM 0 HA LYS A 632 -13.115 14.444 7.998 1.00 1.23 H new ATOM 0 HB2 LYS A 632 -10.786 15.893 6.632 1.00 11.34 H new ATOM 0 HB3 LYS A 632 -12.371 16.580 6.930 1.00 11.34 H new ATOM 0 HG2 LYS A 632 -12.013 16.532 9.338 1.00 40.22 H new ATOM 0 HG3 LYS A 632 -10.514 15.644 9.146 1.00 40.22 H new ATOM 0 HD2 LYS A 632 -10.024 18.007 9.554 1.00 32.03 H new ATOM 0 HD3 LYS A 632 -9.509 17.568 7.937 1.00 32.03 H new ATOM 0 HE2 LYS A 632 -11.591 18.550 7.000 1.00 31.41 H new ATOM 0 HE3 LYS A 632 -12.121 18.977 8.615 1.00 31.41 H new ATOM 0 HZ1 LYS A 632 -11.097 20.846 7.506 1.00 14.41 H new ATOM 0 HZ2 LYS A 632 -10.169 20.390 8.853 1.00 14.41 H new ATOM 0 HZ3 LYS A 632 -9.655 19.976 7.288 1.00 14.41 H new ATOM 773 N ASP A 633 -11.676 13.907 5.077 1.00 24.44 N ATOM 774 CA ASP A 633 -11.898 13.572 3.675 1.00 3.43 C ATOM 775 C ASP A 633 -12.204 12.104 3.443 1.00 33.55 C ATOM 776 O ASP A 633 -13.199 11.767 2.815 1.00 14.04 O ATOM 777 CB ASP A 633 -10.697 13.997 2.811 1.00 74.43 C ATOM 778 CG ASP A 633 -10.536 15.496 2.705 1.00 14.23 C ATOM 779 OD1 ASP A 633 -10.167 16.148 3.702 1.00 61.31 O ATOM 780 OD2 ASP A 633 -10.805 16.052 1.621 1.00 62.24 O ATOM 0 H ASP A 633 -10.691 13.994 5.327 1.00 24.44 H new ATOM 0 HA ASP A 633 -12.784 14.132 3.375 1.00 3.43 H new ATOM 0 HB2 ASP A 633 -9.787 13.570 3.232 1.00 74.43 H new ATOM 0 HB3 ASP A 633 -10.812 13.580 1.811 1.00 74.43 H new ATOM 785 N GLY A 634 -11.361 11.242 3.972 1.00 65.45 N ATOM 786 CA GLY A 634 -11.452 9.827 3.661 1.00 22.15 C ATOM 787 C GLY A 634 -12.496 9.069 4.448 1.00 55.12 C ATOM 788 O GLY A 634 -13.200 8.227 3.875 1.00 23.20 O ATOM 0 H GLY A 634 -10.610 11.492 4.615 1.00 65.45 H new ATOM 0 HA2 GLY A 634 -11.668 9.716 2.598 1.00 22.15 H new ATOM 0 HA3 GLY A 634 -10.480 9.368 3.838 1.00 22.15 H new ATOM 792 N ARG A 635 -12.596 9.347 5.758 1.00 11.12 N ATOM 793 CA ARG A 635 -13.566 8.652 6.639 1.00 70.11 C ATOM 794 C ARG A 635 -13.239 7.156 6.772 1.00 22.15 C ATOM 795 O ARG A 635 -14.143 6.324 6.925 1.00 15.02 O ATOM 796 CB ARG A 635 -15.010 8.836 6.117 1.00 5.10 C ATOM 797 CG ARG A 635 -15.593 10.240 6.252 1.00 13.22 C ATOM 798 CD ARG A 635 -16.004 10.571 7.693 1.00 71.13 C ATOM 799 NE ARG A 635 -14.891 10.623 8.656 1.00 73.32 N ATOM 800 CZ ARG A 635 -15.029 10.485 9.988 1.00 41.33 C ATOM 801 NH1 ARG A 635 -16.225 10.221 10.511 1.00 71.42 N ATOM 802 NH2 ARG A 635 -13.970 10.617 10.789 1.00 72.23 N ATOM 0 H ARG A 635 -12.023 10.043 6.234 1.00 11.12 H new ATOM 0 HA ARG A 635 -13.488 9.103 7.628 1.00 70.11 H new ATOM 0 HB2 ARG A 635 -15.034 8.553 5.065 1.00 5.10 H new ATOM 0 HB3 ARG A 635 -15.660 8.141 6.649 1.00 5.10 H new ATOM 0 HG2 ARG A 635 -14.858 10.969 5.911 1.00 13.22 H new ATOM 0 HG3 ARG A 635 -16.461 10.333 5.600 1.00 13.22 H new ATOM 0 HD2 ARG A 635 -16.516 11.533 7.698 1.00 71.13 H new ATOM 0 HD3 ARG A 635 -16.724 9.826 8.031 1.00 71.13 H new ATOM 0 HE ARG A 635 -13.951 10.774 8.289 1.00 73.32 H new ATOM 0 HH11 ARG A 635 -17.038 10.123 9.902 1.00 71.42 H new ATOM 0 HH12 ARG A 635 -16.328 10.117 11.520 1.00 71.42 H new ATOM 0 HH21 ARG A 635 -13.053 10.823 10.392 1.00 72.23 H new ATOM 0 HH22 ARG A 635 -14.077 10.512 11.798 1.00 72.23 H new ATOM 816 N LEU A 636 -11.941 6.822 6.753 1.00 54.31 N ATOM 817 CA LEU A 636 -11.496 5.422 6.918 1.00 63.24 C ATOM 818 C LEU A 636 -11.867 4.905 8.282 1.00 42.01 C ATOM 819 O LEU A 636 -12.098 5.686 9.218 1.00 20.43 O ATOM 820 CB LEU A 636 -9.978 5.227 6.699 1.00 61.53 C ATOM 821 CG LEU A 636 -9.431 5.392 5.277 1.00 23.24 C ATOM 822 CD1 LEU A 636 -9.599 6.797 4.787 1.00 25.12 C ATOM 823 CD2 LEU A 636 -7.980 4.968 5.215 1.00 55.40 C ATOM 0 H LEU A 636 -11.183 7.492 6.626 1.00 54.31 H new ATOM 0 HA LEU A 636 -12.012 4.855 6.143 1.00 63.24 H new ATOM 0 HB2 LEU A 636 -9.454 5.933 7.343 1.00 61.53 H new ATOM 0 HB3 LEU A 636 -9.716 4.227 7.044 1.00 61.53 H new ATOM 0 HG LEU A 636 -10.008 4.744 4.618 1.00 23.24 H new ATOM 0 HD11 LEU A 636 -9.201 6.880 3.776 1.00 25.12 H new ATOM 0 HD12 LEU A 636 -10.658 7.057 4.783 1.00 25.12 H new ATOM 0 HD13 LEU A 636 -9.061 7.479 5.446 1.00 25.12 H new ATOM 0 HD21 LEU A 636 -7.608 5.092 4.198 1.00 55.40 H new ATOM 0 HD22 LEU A 636 -7.391 5.585 5.894 1.00 55.40 H new ATOM 0 HD23 LEU A 636 -7.894 3.922 5.508 1.00 55.40 H new ATOM 835 N ARG A 637 -11.903 3.614 8.418 1.00 54.04 N ATOM 836 CA ARG A 637 -12.315 3.038 9.680 1.00 32.52 C ATOM 837 C ARG A 637 -11.193 2.298 10.364 1.00 71.14 C ATOM 838 O ARG A 637 -10.091 2.222 9.865 1.00 33.31 O ATOM 839 CB ARG A 637 -13.552 2.104 9.584 1.00 13.04 C ATOM 840 CG ARG A 637 -13.374 0.722 8.939 1.00 11.43 C ATOM 841 CD ARG A 637 -13.822 0.665 7.502 1.00 32.14 C ATOM 842 NE ARG A 637 -12.915 1.284 6.549 1.00 24.23 N ATOM 843 CZ ARG A 637 -13.223 2.238 5.675 1.00 4.14 C ATOM 844 NH1 ARG A 637 -14.467 2.725 5.615 1.00 2.42 N ATOM 845 NH2 ARG A 637 -12.276 2.689 4.848 1.00 25.35 N ATOM 0 H ARG A 637 -11.659 2.942 7.690 1.00 54.04 H new ATOM 0 HA ARG A 637 -12.604 3.902 10.278 1.00 32.52 H new ATOM 0 HB2 ARG A 637 -13.933 1.953 10.594 1.00 13.04 H new ATOM 0 HB3 ARG A 637 -14.325 2.633 9.027 1.00 13.04 H new ATOM 0 HG2 ARG A 637 -12.323 0.437 8.995 1.00 11.43 H new ATOM 0 HG3 ARG A 637 -13.935 -0.014 9.515 1.00 11.43 H new ATOM 0 HD2 ARG A 637 -13.961 -0.379 7.222 1.00 32.14 H new ATOM 0 HD3 ARG A 637 -14.795 1.149 7.421 1.00 32.14 H new ATOM 0 HE ARG A 637 -11.950 0.955 6.551 1.00 24.23 H new ATOM 0 HH11 ARG A 637 -15.186 2.365 6.242 1.00 2.42 H new ATOM 0 HH12 ARG A 637 -14.696 3.457 4.942 1.00 2.42 H new ATOM 0 HH21 ARG A 637 -11.333 2.302 4.893 1.00 25.35 H new ATOM 0 HH22 ARG A 637 -12.496 3.420 4.172 1.00 25.35 H new ATOM 859 N VAL A 638 -11.500 1.766 11.509 1.00 23.31 N ATOM 860 CA VAL A 638 -10.571 0.959 12.278 1.00 30.31 C ATOM 861 C VAL A 638 -10.572 -0.459 11.704 1.00 3.43 C ATOM 862 O VAL A 638 -11.630 -0.958 11.293 1.00 52.23 O ATOM 863 CB VAL A 638 -10.977 0.909 13.778 1.00 74.00 C ATOM 864 CG1 VAL A 638 -10.031 0.037 14.590 1.00 32.21 C ATOM 865 CG2 VAL A 638 -11.047 2.306 14.377 1.00 51.52 C ATOM 0 H VAL A 638 -12.413 1.876 11.950 1.00 23.31 H new ATOM 0 HA VAL A 638 -9.578 1.403 12.212 1.00 30.31 H new ATOM 0 HB VAL A 638 -11.970 0.462 13.822 1.00 74.00 H new ATOM 0 HG11 VAL A 638 -10.349 0.028 15.633 1.00 32.21 H new ATOM 0 HG12 VAL A 638 -10.046 -0.980 14.197 1.00 32.21 H new ATOM 0 HG13 VAL A 638 -9.019 0.437 14.523 1.00 32.21 H new ATOM 0 HG21 VAL A 638 -11.333 2.238 15.427 1.00 51.52 H new ATOM 0 HG22 VAL A 638 -10.071 2.785 14.297 1.00 51.52 H new ATOM 0 HG23 VAL A 638 -11.787 2.897 13.837 1.00 51.52 H new ATOM 875 N ASN A 639 -9.388 -1.079 11.660 1.00 74.13 N ATOM 876 CA ASN A 639 -9.166 -2.440 11.124 1.00 3.13 C ATOM 877 C ASN A 639 -9.405 -2.390 9.605 1.00 74.43 C ATOM 878 O ASN A 639 -9.844 -3.343 8.965 1.00 31.32 O ATOM 879 CB ASN A 639 -10.087 -3.462 11.839 1.00 15.30 C ATOM 880 CG ASN A 639 -9.680 -4.939 11.654 1.00 1.22 C ATOM 881 OD1 ASN A 639 -9.093 -5.341 10.654 1.00 15.41 O ATOM 882 ND2 ASN A 639 -9.988 -5.748 12.634 1.00 61.42 N ATOM 0 H ASN A 639 -8.532 -0.643 12.003 1.00 74.13 H new ATOM 0 HA ASN A 639 -8.145 -2.773 11.310 1.00 3.13 H new ATOM 0 HB2 ASN A 639 -10.101 -3.234 12.905 1.00 15.30 H new ATOM 0 HB3 ASN A 639 -11.105 -3.331 11.472 1.00 15.30 H new ATOM 0 HD21 ASN A 639 -9.740 -6.736 12.577 1.00 61.42 H new ATOM 0 HD22 ASN A 639 -10.476 -5.391 13.456 1.00 61.42 H new ATOM 889 N ASP A 640 -9.089 -1.242 9.056 1.00 4.13 N ATOM 890 CA ASP A 640 -9.176 -0.993 7.638 1.00 51.14 C ATOM 891 C ASP A 640 -7.798 -1.331 7.062 1.00 11.20 C ATOM 892 O ASP A 640 -6.793 -0.814 7.553 1.00 3.01 O ATOM 893 CB ASP A 640 -9.495 0.480 7.433 1.00 4.53 C ATOM 894 CG ASP A 640 -9.952 0.811 6.050 1.00 50.11 C ATOM 895 OD1 ASP A 640 -10.734 0.034 5.499 1.00 75.25 O ATOM 896 OD2 ASP A 640 -9.672 1.910 5.574 1.00 74.15 O ATOM 0 H ASP A 640 -8.758 -0.440 9.593 1.00 4.13 H new ATOM 0 HA ASP A 640 -9.950 -1.586 7.151 1.00 51.14 H new ATOM 0 HB2 ASP A 640 -10.268 0.777 8.142 1.00 4.53 H new ATOM 0 HB3 ASP A 640 -8.608 1.070 7.663 1.00 4.53 H new ATOM 901 N GLN A 641 -7.734 -2.189 6.077 1.00 51.33 N ATOM 902 CA GLN A 641 -6.448 -2.717 5.609 1.00 34.10 C ATOM 903 C GLN A 641 -5.899 -1.885 4.433 1.00 42.31 C ATOM 904 O GLN A 641 -6.483 -1.833 3.374 1.00 23.34 O ATOM 905 CB GLN A 641 -6.629 -4.211 5.228 1.00 63.02 C ATOM 906 CG GLN A 641 -5.352 -5.090 5.178 1.00 24.11 C ATOM 907 CD GLN A 641 -4.346 -4.734 4.123 1.00 0.35 C ATOM 908 OE1 GLN A 641 -4.399 -5.234 3.022 1.00 20.23 O ATOM 909 NE2 GLN A 641 -3.408 -3.910 4.464 1.00 0.41 N ATOM 0 H GLN A 641 -8.547 -2.545 5.575 1.00 51.33 H new ATOM 0 HA GLN A 641 -5.710 -2.644 6.408 1.00 34.10 H new ATOM 0 HB2 GLN A 641 -7.320 -4.660 5.941 1.00 63.02 H new ATOM 0 HB3 GLN A 641 -7.107 -4.254 4.250 1.00 63.02 H new ATOM 0 HG2 GLN A 641 -4.862 -5.039 6.150 1.00 24.11 H new ATOM 0 HG3 GLN A 641 -5.655 -6.126 5.028 1.00 24.11 H new ATOM 0 HE21 GLN A 641 -3.397 -3.509 5.402 1.00 0.41 H new ATOM 0 HE22 GLN A 641 -2.679 -3.661 3.795 1.00 0.41 H new ATOM 918 N LEU A 642 -4.765 -1.263 4.656 1.00 73.10 N ATOM 919 CA LEU A 642 -4.083 -0.426 3.666 1.00 1.21 C ATOM 920 C LEU A 642 -3.412 -1.290 2.570 1.00 62.03 C ATOM 921 O LEU A 642 -2.420 -1.980 2.822 1.00 22.52 O ATOM 922 CB LEU A 642 -3.039 0.512 4.356 1.00 43.41 C ATOM 923 CG LEU A 642 -3.555 1.628 5.293 1.00 52.25 C ATOM 924 CD1 LEU A 642 -4.291 1.063 6.490 1.00 52.45 C ATOM 925 CD2 LEU A 642 -2.394 2.487 5.758 1.00 41.14 C ATOM 0 H LEU A 642 -4.271 -1.319 5.547 1.00 73.10 H new ATOM 0 HA LEU A 642 -4.833 0.200 3.183 1.00 1.21 H new ATOM 0 HB2 LEU A 642 -2.359 -0.116 4.932 1.00 43.41 H new ATOM 0 HB3 LEU A 642 -2.449 0.985 3.571 1.00 43.41 H new ATOM 0 HG LEU A 642 -4.261 2.237 4.728 1.00 52.25 H new ATOM 0 HD11 LEU A 642 -4.637 1.880 7.123 1.00 52.45 H new ATOM 0 HD12 LEU A 642 -5.147 0.480 6.149 1.00 52.45 H new ATOM 0 HD13 LEU A 642 -3.619 0.421 7.060 1.00 52.45 H new ATOM 0 HD21 LEU A 642 -2.764 3.272 6.418 1.00 41.14 H new ATOM 0 HD22 LEU A 642 -1.676 1.868 6.296 1.00 41.14 H new ATOM 0 HD23 LEU A 642 -1.907 2.939 4.894 1.00 41.14 H new ATOM 937 N ILE A 643 -3.966 -1.233 1.375 1.00 11.34 N ATOM 938 CA ILE A 643 -3.534 -2.048 0.227 1.00 71.14 C ATOM 939 C ILE A 643 -2.418 -1.362 -0.539 1.00 75.43 C ATOM 940 O ILE A 643 -1.328 -1.920 -0.746 1.00 4.15 O ATOM 941 CB ILE A 643 -4.726 -2.238 -0.759 1.00 34.51 C ATOM 942 CG1 ILE A 643 -5.899 -2.909 -0.057 1.00 44.43 C ATOM 943 CG2 ILE A 643 -4.304 -3.044 -1.994 1.00 34.51 C ATOM 944 CD1 ILE A 643 -5.624 -4.327 0.385 1.00 32.15 C ATOM 0 H ILE A 643 -4.745 -0.611 1.157 1.00 11.34 H new ATOM 0 HA ILE A 643 -3.184 -3.005 0.615 1.00 71.14 H new ATOM 0 HB ILE A 643 -5.041 -1.251 -1.096 1.00 34.51 H new ATOM 0 HG12 ILE A 643 -6.175 -2.315 0.814 1.00 44.43 H new ATOM 0 HG13 ILE A 643 -6.758 -2.909 -0.728 1.00 44.43 H new ATOM 0 HG21 ILE A 643 -5.157 -3.159 -2.662 1.00 34.51 H new ATOM 0 HG22 ILE A 643 -3.503 -2.519 -2.515 1.00 34.51 H new ATOM 0 HG23 ILE A 643 -3.951 -4.027 -1.683 1.00 34.51 H new ATOM 0 HD11 ILE A 643 -6.508 -4.733 0.876 1.00 32.15 H new ATOM 0 HD12 ILE A 643 -5.379 -4.938 -0.484 1.00 32.15 H new ATOM 0 HD13 ILE A 643 -4.786 -4.335 1.082 1.00 32.15 H new ATOM 956 N ALA A 644 -2.704 -0.169 -0.969 1.00 1.30 N ATOM 957 CA ALA A 644 -1.803 0.588 -1.768 1.00 22.23 C ATOM 958 C ALA A 644 -1.830 2.016 -1.305 1.00 53.33 C ATOM 959 O ALA A 644 -2.879 2.514 -0.881 1.00 14.32 O ATOM 960 CB ALA A 644 -2.193 0.474 -3.235 1.00 64.22 C ATOM 0 H ALA A 644 -3.583 0.307 -0.769 1.00 1.30 H new ATOM 0 HA ALA A 644 -0.788 0.203 -1.663 1.00 22.23 H new ATOM 0 HB1 ALA A 644 -1.499 1.056 -3.842 1.00 64.22 H new ATOM 0 HB2 ALA A 644 -2.155 -0.571 -3.541 1.00 64.22 H new ATOM 0 HB3 ALA A 644 -3.205 0.856 -3.373 1.00 64.22 H new ATOM 966 N VAL A 645 -0.717 2.673 -1.377 1.00 72.42 N ATOM 967 CA VAL A 645 -0.622 4.008 -0.886 1.00 60.32 C ATOM 968 C VAL A 645 0.024 4.901 -1.939 1.00 52.24 C ATOM 969 O VAL A 645 0.970 4.498 -2.607 1.00 31.15 O ATOM 970 CB VAL A 645 0.176 4.059 0.445 1.00 44.10 C ATOM 971 CG1 VAL A 645 1.659 3.733 0.239 1.00 23.23 C ATOM 972 CG2 VAL A 645 -0.025 5.376 1.164 1.00 15.13 C ATOM 0 H VAL A 645 0.146 2.302 -1.775 1.00 72.42 H new ATOM 0 HA VAL A 645 -1.628 4.375 -0.680 1.00 60.32 H new ATOM 0 HB VAL A 645 -0.226 3.278 1.091 1.00 44.10 H new ATOM 0 HG11 VAL A 645 2.178 3.780 1.196 1.00 23.23 H new ATOM 0 HG12 VAL A 645 1.757 2.730 -0.178 1.00 23.23 H new ATOM 0 HG13 VAL A 645 2.098 4.456 -0.448 1.00 23.23 H new ATOM 0 HG21 VAL A 645 0.548 5.376 2.091 1.00 15.13 H new ATOM 0 HG22 VAL A 645 0.314 6.193 0.528 1.00 15.13 H new ATOM 0 HG23 VAL A 645 -1.083 5.509 1.392 1.00 15.13 H new ATOM 982 N ASN A 646 -0.546 6.079 -2.126 1.00 24.34 N ATOM 983 CA ASN A 646 -0.081 7.076 -3.101 1.00 53.01 C ATOM 984 C ASN A 646 -0.169 6.551 -4.524 1.00 64.42 C ATOM 985 O ASN A 646 0.398 7.117 -5.451 1.00 2.21 O ATOM 986 CB ASN A 646 1.332 7.558 -2.773 1.00 75.55 C ATOM 987 CG ASN A 646 1.399 8.319 -1.463 1.00 1.32 C ATOM 988 OD1 ASN A 646 1.595 7.744 -0.406 1.00 25.12 O ATOM 989 ND2 ASN A 646 1.248 9.614 -1.525 1.00 14.40 N ATOM 0 H ASN A 646 -1.363 6.385 -1.598 1.00 24.34 H new ATOM 0 HA ASN A 646 -0.748 7.935 -3.030 1.00 53.01 H new ATOM 0 HB2 ASN A 646 2.003 6.700 -2.725 1.00 75.55 H new ATOM 0 HB3 ASN A 646 1.690 8.198 -3.579 1.00 75.55 H new ATOM 0 HD21 ASN A 646 1.293 10.174 -0.674 1.00 14.40 H new ATOM 0 HD22 ASN A 646 1.085 10.066 -2.425 1.00 14.40 H new ATOM 996 N GLY A 647 -0.927 5.482 -4.689 1.00 3.43 N ATOM 997 CA GLY A 647 -1.075 4.868 -5.979 1.00 74.33 C ATOM 998 C GLY A 647 -0.107 3.719 -6.161 1.00 51.42 C ATOM 999 O GLY A 647 -0.159 3.009 -7.168 1.00 65.03 O ATOM 0 H GLY A 647 -1.447 5.027 -3.939 1.00 3.43 H new ATOM 0 HA2 GLY A 647 -2.097 4.506 -6.096 1.00 74.33 H new ATOM 0 HA3 GLY A 647 -0.909 5.612 -6.758 1.00 74.33 H new ATOM 1003 N GLU A 648 0.767 3.534 -5.189 1.00 33.32 N ATOM 1004 CA GLU A 648 1.755 2.494 -5.226 1.00 45.31 C ATOM 1005 C GLU A 648 1.316 1.326 -4.363 1.00 71.51 C ATOM 1006 O GLU A 648 0.973 1.495 -3.192 1.00 40.12 O ATOM 1007 CB GLU A 648 3.107 3.028 -4.749 1.00 52.22 C ATOM 1008 CG GLU A 648 4.216 1.995 -4.770 1.00 4.43 C ATOM 1009 CD GLU A 648 5.548 2.538 -4.326 1.00 52.42 C ATOM 1010 OE1 GLU A 648 6.032 3.532 -4.923 1.00 65.12 O ATOM 1011 OE2 GLU A 648 6.158 1.969 -3.412 1.00 41.21 O ATOM 0 H GLU A 648 0.804 4.111 -4.349 1.00 33.32 H new ATOM 0 HA GLU A 648 1.862 2.149 -6.254 1.00 45.31 H new ATOM 0 HB2 GLU A 648 3.396 3.870 -5.377 1.00 52.22 H new ATOM 0 HB3 GLU A 648 2.998 3.410 -3.734 1.00 52.22 H new ATOM 0 HG2 GLU A 648 3.938 1.162 -4.125 1.00 4.43 H new ATOM 0 HG3 GLU A 648 4.313 1.597 -5.780 1.00 4.43 H new ATOM 1018 N SER A 649 1.321 0.172 -4.938 1.00 54.50 N ATOM 1019 CA SER A 649 0.950 -1.030 -4.266 1.00 14.54 C ATOM 1020 C SER A 649 2.122 -1.568 -3.435 1.00 45.40 C ATOM 1021 O SER A 649 3.269 -1.575 -3.892 1.00 54.13 O ATOM 1022 CB SER A 649 0.463 -2.032 -5.312 1.00 21.13 C ATOM 1023 OG SER A 649 1.380 -2.110 -6.405 1.00 35.43 O ATOM 0 H SER A 649 1.589 0.033 -5.912 1.00 54.50 H new ATOM 0 HA SER A 649 0.140 -0.842 -3.561 1.00 14.54 H new ATOM 0 HB2 SER A 649 0.350 -3.015 -4.855 1.00 21.13 H new ATOM 0 HB3 SER A 649 -0.520 -1.735 -5.677 1.00 21.13 H new ATOM 0 HG SER A 649 1.051 -2.758 -7.063 1.00 35.43 H new ATOM 1029 N LEU A 650 1.850 -1.966 -2.209 1.00 42.44 N ATOM 1030 CA LEU A 650 2.901 -2.485 -1.343 1.00 44.40 C ATOM 1031 C LEU A 650 2.453 -3.721 -0.625 1.00 23.11 C ATOM 1032 O LEU A 650 3.182 -4.256 0.212 1.00 70.14 O ATOM 1033 CB LEU A 650 3.368 -1.461 -0.291 1.00 14.22 C ATOM 1034 CG LEU A 650 2.352 -0.981 0.778 1.00 21.52 C ATOM 1035 CD1 LEU A 650 3.059 -0.167 1.824 1.00 61.45 C ATOM 1036 CD2 LEU A 650 1.240 -0.148 0.170 1.00 42.14 C ATOM 0 H LEU A 650 0.921 -1.943 -1.788 1.00 42.44 H new ATOM 0 HA LEU A 650 3.737 -2.713 -2.005 1.00 44.40 H new ATOM 0 HB2 LEU A 650 4.222 -1.890 0.233 1.00 14.22 H new ATOM 0 HB3 LEU A 650 3.730 -0.581 -0.823 1.00 14.22 H new ATOM 0 HG LEU A 650 1.906 -1.869 1.226 1.00 21.52 H new ATOM 0 HD11 LEU A 650 2.340 0.167 2.572 1.00 61.45 H new ATOM 0 HD12 LEU A 650 3.825 -0.777 2.304 1.00 61.45 H new ATOM 0 HD13 LEU A 650 3.526 0.700 1.356 1.00 61.45 H new ATOM 0 HD21 LEU A 650 0.551 0.167 0.954 1.00 42.14 H new ATOM 0 HD22 LEU A 650 1.666 0.731 -0.313 1.00 42.14 H new ATOM 0 HD23 LEU A 650 0.702 -0.743 -0.568 1.00 42.14 H new ATOM 1048 N LEU A 651 1.279 -4.187 -0.956 1.00 53.02 N ATOM 1049 CA LEU A 651 0.725 -5.321 -0.286 1.00 4.12 C ATOM 1050 C LEU A 651 1.445 -6.589 -0.718 1.00 13.02 C ATOM 1051 O LEU A 651 1.158 -7.158 -1.784 1.00 23.24 O ATOM 1052 CB LEU A 651 -0.777 -5.427 -0.545 1.00 55.01 C ATOM 1053 CG LEU A 651 -1.501 -6.529 0.221 1.00 3.55 C ATOM 1054 CD1 LEU A 651 -1.391 -6.289 1.722 1.00 42.44 C ATOM 1055 CD2 LEU A 651 -2.953 -6.606 -0.211 1.00 4.03 C ATOM 0 H LEU A 651 0.689 -3.793 -1.689 1.00 53.02 H new ATOM 0 HA LEU A 651 0.867 -5.194 0.787 1.00 4.12 H new ATOM 0 HB2 LEU A 651 -1.239 -4.472 -0.295 1.00 55.01 H new ATOM 0 HB3 LEU A 651 -0.933 -5.588 -1.612 1.00 55.01 H new ATOM 0 HG LEU A 651 -1.028 -7.484 -0.007 1.00 3.55 H new ATOM 0 HD11 LEU A 651 -1.912 -7.083 2.257 1.00 42.44 H new ATOM 0 HD12 LEU A 651 -0.341 -6.284 2.014 1.00 42.44 H new ATOM 0 HD13 LEU A 651 -1.841 -5.328 1.971 1.00 42.44 H new ATOM 0 HD21 LEU A 651 -3.456 -7.397 0.345 1.00 4.03 H new ATOM 0 HD22 LEU A 651 -3.443 -5.653 -0.011 1.00 4.03 H new ATOM 0 HD23 LEU A 651 -3.004 -6.823 -1.278 1.00 4.03 H new ATOM 1067 N GLY A 652 2.416 -6.971 0.064 1.00 21.42 N ATOM 1068 CA GLY A 652 3.165 -8.170 -0.201 1.00 74.30 C ATOM 1069 C GLY A 652 4.591 -8.062 0.285 1.00 11.54 C ATOM 1070 O GLY A 652 5.520 -8.518 -0.385 1.00 42.15 O ATOM 0 H GLY A 652 2.710 -6.464 0.899 1.00 21.42 H new ATOM 0 HA2 GLY A 652 2.679 -9.016 0.284 1.00 74.30 H new ATOM 0 HA3 GLY A 652 3.161 -8.371 -1.272 1.00 74.30 H new ATOM 1074 N LYS A 653 4.763 -7.441 1.430 1.00 22.34 N ATOM 1075 CA LYS A 653 6.064 -7.267 2.048 1.00 62.32 C ATOM 1076 C LYS A 653 5.896 -7.269 3.556 1.00 63.23 C ATOM 1077 O LYS A 653 4.778 -7.347 4.048 1.00 34.32 O ATOM 1078 CB LYS A 653 6.724 -5.956 1.583 1.00 25.14 C ATOM 1079 CG LYS A 653 5.922 -4.701 1.902 1.00 33.33 C ATOM 1080 CD LYS A 653 6.588 -3.394 1.416 1.00 54.14 C ATOM 1081 CE LYS A 653 6.642 -3.227 -0.116 1.00 25.31 C ATOM 1082 NZ LYS A 653 7.569 -4.149 -0.806 1.00 63.12 N ATOM 0 H LYS A 653 3.996 -7.037 1.967 1.00 22.34 H new ATOM 0 HA LYS A 653 6.715 -8.088 1.749 1.00 62.32 H new ATOM 0 HB2 LYS A 653 7.706 -5.873 2.048 1.00 25.14 H new ATOM 0 HB3 LYS A 653 6.884 -6.006 0.506 1.00 25.14 H new ATOM 0 HG2 LYS A 653 4.935 -4.786 1.446 1.00 33.33 H new ATOM 0 HG3 LYS A 653 5.771 -4.642 2.980 1.00 33.33 H new ATOM 0 HD2 LYS A 653 6.048 -2.548 1.841 1.00 54.14 H new ATOM 0 HD3 LYS A 653 7.604 -3.353 1.808 1.00 54.14 H new ATOM 0 HE2 LYS A 653 5.640 -3.372 -0.519 1.00 25.31 H new ATOM 0 HE3 LYS A 653 6.933 -2.202 -0.346 1.00 25.31 H new ATOM 0 HZ1 LYS A 653 8.076 -3.635 -1.555 1.00 63.12 H new ATOM 0 HZ2 LYS A 653 8.254 -4.529 -0.122 1.00 63.12 H new ATOM 0 HZ3 LYS A 653 7.030 -4.932 -1.228 1.00 63.12 H new ATOM 1096 N ALA A 654 6.982 -7.181 4.283 1.00 51.20 N ATOM 1097 CA ALA A 654 6.911 -7.177 5.738 1.00 14.12 C ATOM 1098 C ALA A 654 6.272 -5.885 6.243 1.00 34.24 C ATOM 1099 O ALA A 654 6.264 -4.870 5.539 1.00 25.43 O ATOM 1100 CB ALA A 654 8.279 -7.417 6.362 1.00 13.01 C ATOM 0 H ALA A 654 7.925 -7.111 3.901 1.00 51.20 H new ATOM 0 HA ALA A 654 6.273 -8.004 6.050 1.00 14.12 H new ATOM 0 HB1 ALA A 654 8.190 -7.408 7.448 1.00 13.01 H new ATOM 0 HB2 ALA A 654 8.662 -8.384 6.037 1.00 13.01 H new ATOM 0 HB3 ALA A 654 8.965 -6.631 6.047 1.00 13.01 H new ATOM 1106 N ASN A 655 5.764 -5.922 7.451 1.00 61.44 N ATOM 1107 CA ASN A 655 5.013 -4.805 8.023 1.00 60.40 C ATOM 1108 C ASN A 655 5.895 -3.578 8.190 1.00 65.21 C ATOM 1109 O ASN A 655 5.473 -2.464 7.899 1.00 22.34 O ATOM 1110 CB ASN A 655 4.381 -5.211 9.366 1.00 75.41 C ATOM 1111 CG ASN A 655 3.505 -6.454 9.249 1.00 14.44 C ATOM 1112 OD1 ASN A 655 3.985 -7.578 9.403 1.00 72.12 O ATOM 1113 ND2 ASN A 655 2.236 -6.274 8.965 1.00 75.14 N ATOM 0 H ASN A 655 5.854 -6.724 8.075 1.00 61.44 H new ATOM 0 HA ASN A 655 4.213 -4.547 7.330 1.00 60.40 H new ATOM 0 HB2 ASN A 655 5.171 -5.395 10.094 1.00 75.41 H new ATOM 0 HB3 ASN A 655 3.782 -4.383 9.747 1.00 75.41 H new ATOM 0 HD21 ASN A 655 1.617 -7.078 8.866 1.00 75.14 H new ATOM 0 HD22 ASN A 655 1.869 -5.330 8.844 1.00 75.14 H new ATOM 1120 N GLN A 656 7.128 -3.789 8.630 1.00 62.14 N ATOM 1121 CA GLN A 656 8.091 -2.696 8.803 1.00 64.03 C ATOM 1122 C GLN A 656 8.453 -2.097 7.445 1.00 51.42 C ATOM 1123 O GLN A 656 8.546 -0.876 7.297 1.00 11.41 O ATOM 1124 CB GLN A 656 9.354 -3.200 9.502 1.00 5.24 C ATOM 1125 CG GLN A 656 9.153 -3.780 10.907 1.00 72.42 C ATOM 1126 CD GLN A 656 8.916 -2.760 12.036 1.00 72.12 C ATOM 1127 OE1 GLN A 656 9.287 -3.020 13.187 1.00 40.35 O ATOM 1128 NE2 GLN A 656 8.326 -1.624 11.750 1.00 54.11 N ATOM 0 H GLN A 656 7.492 -4.710 8.876 1.00 62.14 H new ATOM 0 HA GLN A 656 7.632 -1.926 9.423 1.00 64.03 H new ATOM 0 HB2 GLN A 656 9.812 -3.965 8.876 1.00 5.24 H new ATOM 0 HB3 GLN A 656 10.064 -2.375 9.568 1.00 5.24 H new ATOM 0 HG2 GLN A 656 8.303 -4.462 10.878 1.00 72.42 H new ATOM 0 HG3 GLN A 656 10.031 -4.375 11.161 1.00 72.42 H new ATOM 0 HE21 GLN A 656 8.028 -1.431 10.794 1.00 54.11 H new ATOM 0 HE22 GLN A 656 8.165 -0.934 12.484 1.00 54.11 H new ATOM 1137 N GLU A 657 8.628 -2.975 6.464 1.00 33.10 N ATOM 1138 CA GLU A 657 8.945 -2.584 5.092 1.00 21.54 C ATOM 1139 C GLU A 657 7.829 -1.713 4.554 1.00 61.42 C ATOM 1140 O GLU A 657 8.073 -0.657 3.963 1.00 72.12 O ATOM 1141 CB GLU A 657 9.059 -3.830 4.216 1.00 54.32 C ATOM 1142 CG GLU A 657 10.105 -4.828 4.671 1.00 30.11 C ATOM 1143 CD GLU A 657 11.503 -4.293 4.619 1.00 60.03 C ATOM 1144 OE1 GLU A 657 12.100 -4.279 3.528 1.00 64.53 O ATOM 1145 OE2 GLU A 657 12.036 -3.909 5.671 1.00 4.53 O ATOM 0 H GLU A 657 8.554 -3.984 6.597 1.00 33.10 H new ATOM 0 HA GLU A 657 9.889 -2.039 5.081 1.00 21.54 H new ATOM 0 HB2 GLU A 657 8.090 -4.327 4.187 1.00 54.32 H new ATOM 0 HB3 GLU A 657 9.290 -3.521 3.196 1.00 54.32 H new ATOM 0 HG2 GLU A 657 9.881 -5.138 5.692 1.00 30.11 H new ATOM 0 HG3 GLU A 657 10.042 -5.719 4.046 1.00 30.11 H new ATOM 1152 N ALA A 658 6.597 -2.171 4.791 1.00 51.21 N ATOM 1153 CA ALA A 658 5.400 -1.472 4.366 1.00 43.14 C ATOM 1154 C ALA A 658 5.341 -0.084 4.980 1.00 13.32 C ATOM 1155 O ALA A 658 4.998 0.875 4.308 1.00 61.20 O ATOM 1156 CB ALA A 658 4.144 -2.285 4.709 1.00 74.21 C ATOM 0 H ALA A 658 6.410 -3.043 5.286 1.00 51.21 H new ATOM 0 HA ALA A 658 5.437 -1.357 3.283 1.00 43.14 H new ATOM 0 HB1 ALA A 658 3.258 -1.741 4.381 1.00 74.21 H new ATOM 0 HB2 ALA A 658 4.186 -3.250 4.203 1.00 74.21 H new ATOM 0 HB3 ALA A 658 4.095 -2.442 5.787 1.00 74.21 H new ATOM 1162 N MET A 659 5.712 0.017 6.247 1.00 11.14 N ATOM 1163 CA MET A 659 5.730 1.300 6.945 1.00 53.23 C ATOM 1164 C MET A 659 6.657 2.279 6.280 1.00 4.32 C ATOM 1165 O MET A 659 6.303 3.444 6.093 1.00 14.45 O ATOM 1166 CB MET A 659 6.138 1.137 8.387 1.00 74.51 C ATOM 1167 CG MET A 659 5.162 0.348 9.213 1.00 12.43 C ATOM 1168 SD MET A 659 5.728 0.122 10.891 1.00 51.13 S ATOM 1169 CE MET A 659 4.316 -0.696 11.585 1.00 64.31 C ATOM 0 H MET A 659 6.006 -0.776 6.818 1.00 11.14 H new ATOM 0 HA MET A 659 4.713 1.690 6.903 1.00 53.23 H new ATOM 0 HB2 MET A 659 7.111 0.646 8.425 1.00 74.51 H new ATOM 0 HB3 MET A 659 6.261 2.124 8.833 1.00 74.51 H new ATOM 0 HG2 MET A 659 4.199 0.859 9.222 1.00 12.43 H new ATOM 0 HG3 MET A 659 5.002 -0.626 8.751 1.00 12.43 H new ATOM 0 HE1 MET A 659 4.336 -0.598 12.670 1.00 64.31 H new ATOM 0 HE2 MET A 659 3.405 -0.242 11.196 1.00 64.31 H new ATOM 0 HE3 MET A 659 4.338 -1.752 11.316 1.00 64.31 H new ATOM 1179 N GLU A 660 7.836 1.818 5.913 1.00 65.21 N ATOM 1180 CA GLU A 660 8.787 2.679 5.257 1.00 25.03 C ATOM 1181 C GLU A 660 8.281 3.087 3.892 1.00 21.40 C ATOM 1182 O GLU A 660 8.455 4.236 3.485 1.00 34.31 O ATOM 1183 CB GLU A 660 10.168 2.055 5.167 1.00 40.02 C ATOM 1184 CG GLU A 660 10.782 1.738 6.510 1.00 40.23 C ATOM 1185 CD GLU A 660 12.211 1.312 6.387 1.00 32.33 C ATOM 1186 OE1 GLU A 660 12.475 0.137 6.096 1.00 53.31 O ATOM 1187 OE2 GLU A 660 13.103 2.157 6.583 1.00 41.43 O ATOM 0 H GLU A 660 8.153 0.859 6.058 1.00 65.21 H new ATOM 0 HA GLU A 660 8.890 3.574 5.871 1.00 25.03 H new ATOM 0 HB2 GLU A 660 10.105 1.138 4.581 1.00 40.02 H new ATOM 0 HB3 GLU A 660 10.829 2.733 4.627 1.00 40.02 H new ATOM 0 HG2 GLU A 660 10.720 2.616 7.153 1.00 40.23 H new ATOM 0 HG3 GLU A 660 10.208 0.947 6.993 1.00 40.23 H new ATOM 1194 N THR A 661 7.630 2.158 3.200 1.00 33.34 N ATOM 1195 CA THR A 661 7.033 2.448 1.922 1.00 61.01 C ATOM 1196 C THR A 661 5.930 3.501 2.096 1.00 50.53 C ATOM 1197 O THR A 661 5.815 4.423 1.285 1.00 41.04 O ATOM 1198 CB THR A 661 6.450 1.168 1.266 1.00 1.53 C ATOM 1199 OG1 THR A 661 7.472 0.165 1.175 1.00 21.12 O ATOM 1200 CG2 THR A 661 5.926 1.465 -0.137 1.00 4.44 C ATOM 0 H THR A 661 7.508 1.195 3.514 1.00 33.34 H new ATOM 0 HA THR A 661 7.809 2.836 1.262 1.00 61.01 H new ATOM 0 HB THR A 661 5.626 0.814 1.885 1.00 1.53 H new ATOM 0 HG1 THR A 661 7.688 -0.165 2.072 1.00 21.12 H new ATOM 0 HG21 THR A 661 5.523 0.552 -0.576 1.00 4.44 H new ATOM 0 HG22 THR A 661 5.140 2.218 -0.080 1.00 4.44 H new ATOM 0 HG23 THR A 661 6.741 1.837 -0.758 1.00 4.44 H new ATOM 1208 N LEU A 662 5.151 3.378 3.181 1.00 51.32 N ATOM 1209 CA LEU A 662 4.087 4.336 3.473 1.00 35.01 C ATOM 1210 C LEU A 662 4.674 5.705 3.700 1.00 15.21 C ATOM 1211 O LEU A 662 4.372 6.631 2.965 1.00 51.00 O ATOM 1212 CB LEU A 662 3.303 3.950 4.751 1.00 31.20 C ATOM 1213 CG LEU A 662 2.558 2.615 4.786 1.00 62.04 C ATOM 1214 CD1 LEU A 662 1.944 2.404 6.163 1.00 64.13 C ATOM 1215 CD2 LEU A 662 1.475 2.570 3.726 1.00 1.43 C ATOM 0 H LEU A 662 5.241 2.627 3.865 1.00 51.32 H new ATOM 0 HA LEU A 662 3.413 4.332 2.617 1.00 35.01 H new ATOM 0 HB2 LEU A 662 4.006 3.957 5.584 1.00 31.20 H new ATOM 0 HB3 LEU A 662 2.575 4.739 4.942 1.00 31.20 H new ATOM 0 HG LEU A 662 3.272 1.817 4.579 1.00 62.04 H new ATOM 0 HD11 LEU A 662 1.414 1.452 6.183 1.00 64.13 H new ATOM 0 HD12 LEU A 662 2.732 2.397 6.916 1.00 64.13 H new ATOM 0 HD13 LEU A 662 1.245 3.212 6.378 1.00 64.13 H new ATOM 0 HD21 LEU A 662 0.960 1.610 3.772 1.00 1.43 H new ATOM 0 HD22 LEU A 662 0.760 3.374 3.902 1.00 1.43 H new ATOM 0 HD23 LEU A 662 1.925 2.693 2.741 1.00 1.43 H new ATOM 1227 N ARG A 663 5.583 5.801 4.673 1.00 61.33 N ATOM 1228 CA ARG A 663 6.163 7.089 5.070 1.00 22.54 C ATOM 1229 C ARG A 663 6.865 7.754 3.893 1.00 24.24 C ATOM 1230 O ARG A 663 6.734 8.956 3.670 1.00 14.14 O ATOM 1231 CB ARG A 663 7.134 6.910 6.235 1.00 63.14 C ATOM 1232 CG ARG A 663 6.507 6.264 7.453 1.00 51.41 C ATOM 1233 CD ARG A 663 7.502 6.091 8.585 1.00 22.14 C ATOM 1234 NE ARG A 663 7.949 7.366 9.158 1.00 12.32 N ATOM 1235 CZ ARG A 663 8.654 7.477 10.288 1.00 73.41 C ATOM 1236 NH1 ARG A 663 9.068 6.388 10.920 1.00 43.15 N ATOM 1237 NH2 ARG A 663 8.956 8.673 10.775 1.00 32.54 N ATOM 0 H ARG A 663 5.934 5.003 5.202 1.00 61.33 H new ATOM 0 HA ARG A 663 5.349 7.737 5.395 1.00 22.54 H new ATOM 0 HB2 ARG A 663 7.976 6.302 5.905 1.00 63.14 H new ATOM 0 HB3 ARG A 663 7.534 7.884 6.516 1.00 63.14 H new ATOM 0 HG2 ARG A 663 5.671 6.874 7.796 1.00 51.41 H new ATOM 0 HG3 ARG A 663 6.100 5.291 7.177 1.00 51.41 H new ATOM 0 HD2 ARG A 663 7.049 5.486 9.370 1.00 22.14 H new ATOM 0 HD3 ARG A 663 8.368 5.541 8.218 1.00 22.14 H new ATOM 0 HE ARG A 663 7.706 8.223 8.662 1.00 12.32 H new ATOM 0 HH11 ARG A 663 8.849 5.466 10.544 1.00 43.15 H new ATOM 0 HH12 ARG A 663 9.606 6.472 11.782 1.00 43.15 H new ATOM 0 HH21 ARG A 663 8.650 9.515 10.287 1.00 32.54 H new ATOM 0 HH22 ARG A 663 9.494 8.751 11.638 1.00 32.54 H new ATOM 1251 N ARG A 664 7.578 6.955 3.127 1.00 51.11 N ATOM 1252 CA ARG A 664 8.258 7.429 1.943 1.00 23.14 C ATOM 1253 C ARG A 664 7.307 7.895 0.878 1.00 35.23 C ATOM 1254 O ARG A 664 7.538 8.910 0.276 1.00 15.54 O ATOM 1255 CB ARG A 664 9.334 6.413 1.457 1.00 75.33 C ATOM 1256 CG ARG A 664 9.836 6.586 0.020 1.00 42.44 C ATOM 1257 CD ARG A 664 8.881 5.934 -0.970 1.00 15.10 C ATOM 1258 NE ARG A 664 9.300 6.072 -2.356 1.00 23.11 N ATOM 1259 CZ ARG A 664 8.631 5.550 -3.385 1.00 33.22 C ATOM 1260 NH1 ARG A 664 7.514 4.864 -3.164 1.00 73.00 N ATOM 1261 NH2 ARG A 664 9.074 5.709 -4.623 1.00 50.13 N ATOM 0 H ARG A 664 7.702 5.959 3.309 1.00 51.11 H new ATOM 0 HA ARG A 664 8.812 8.328 2.214 1.00 23.14 H new ATOM 0 HB2 ARG A 664 10.191 6.476 2.128 1.00 75.33 H new ATOM 0 HB3 ARG A 664 8.924 5.408 1.557 1.00 75.33 H new ATOM 0 HG2 ARG A 664 9.936 7.647 -0.210 1.00 42.44 H new ATOM 0 HG3 ARG A 664 10.827 6.144 -0.079 1.00 42.44 H new ATOM 0 HD2 ARG A 664 8.789 4.875 -0.730 1.00 15.10 H new ATOM 0 HD3 ARG A 664 7.891 6.375 -0.852 1.00 15.10 H new ATOM 0 HE ARG A 664 10.152 6.597 -2.552 1.00 23.11 H new ATOM 0 HH11 ARG A 664 7.172 4.739 -2.211 1.00 73.00 H new ATOM 0 HH12 ARG A 664 6.999 4.463 -3.947 1.00 73.00 H new ATOM 0 HH21 ARG A 664 9.932 6.233 -4.794 1.00 50.13 H new ATOM 0 HH22 ARG A 664 8.557 5.307 -5.405 1.00 50.13 H new ATOM 1275 N SER A 665 6.229 7.204 0.672 1.00 50.23 N ATOM 1276 CA SER A 665 5.303 7.618 -0.338 1.00 75.43 C ATOM 1277 C SER A 665 4.587 8.902 0.099 1.00 1.31 C ATOM 1278 O SER A 665 4.282 9.762 -0.715 1.00 64.31 O ATOM 1279 CB SER A 665 4.344 6.488 -0.668 1.00 13.34 C ATOM 1280 OG SER A 665 5.067 5.350 -1.134 1.00 51.35 O ATOM 0 H SER A 665 5.969 6.360 1.183 1.00 50.23 H new ATOM 0 HA SER A 665 5.840 7.851 -1.257 1.00 75.43 H new ATOM 0 HB2 SER A 665 3.764 6.223 0.216 1.00 13.34 H new ATOM 0 HB3 SER A 665 3.634 6.814 -1.428 1.00 13.34 H new ATOM 0 HG SER A 665 5.312 4.784 -0.373 1.00 51.35 H new ATOM 1286 N MET A 666 4.408 9.051 1.400 1.00 5.15 N ATOM 1287 CA MET A 666 3.768 10.246 1.957 1.00 74.22 C ATOM 1288 C MET A 666 4.665 11.442 1.731 1.00 12.33 C ATOM 1289 O MET A 666 4.210 12.525 1.378 1.00 20.35 O ATOM 1290 CB MET A 666 3.585 10.104 3.460 1.00 1.33 C ATOM 1291 CG MET A 666 2.790 8.912 3.910 1.00 43.14 C ATOM 1292 SD MET A 666 2.751 8.781 5.692 1.00 60.15 S ATOM 1293 CE MET A 666 1.834 10.250 6.094 1.00 13.31 C ATOM 0 H MET A 666 4.694 8.363 2.097 1.00 5.15 H new ATOM 0 HA MET A 666 2.801 10.371 1.469 1.00 74.22 H new ATOM 0 HB2 MET A 666 4.570 10.057 3.924 1.00 1.33 H new ATOM 0 HB3 MET A 666 3.099 11.005 3.835 1.00 1.33 H new ATOM 0 HG2 MET A 666 1.772 8.988 3.528 1.00 43.14 H new ATOM 0 HG3 MET A 666 3.222 8.005 3.487 1.00 43.14 H new ATOM 0 HE1 MET A 666 1.150 10.039 6.916 1.00 13.31 H new ATOM 0 HE2 MET A 666 2.524 11.040 6.390 1.00 13.31 H new ATOM 0 HE3 MET A 666 1.265 10.573 5.223 1.00 13.31 H new ATOM 1303 N SER A 667 5.938 11.223 1.936 1.00 3.40 N ATOM 1304 CA SER A 667 6.940 12.249 1.814 1.00 31.10 C ATOM 1305 C SER A 667 7.267 12.523 0.343 1.00 13.43 C ATOM 1306 O SER A 667 7.211 13.667 -0.108 1.00 42.20 O ATOM 1307 CB SER A 667 8.200 11.810 2.569 1.00 33.51 C ATOM 1308 OG SER A 667 9.209 12.805 2.543 1.00 44.52 O ATOM 0 H SER A 667 6.313 10.311 2.197 1.00 3.40 H new ATOM 0 HA SER A 667 6.558 13.174 2.246 1.00 31.10 H new ATOM 0 HB2 SER A 667 7.942 11.583 3.603 1.00 33.51 H new ATOM 0 HB3 SER A 667 8.586 10.891 2.127 1.00 33.51 H new ATOM 0 HG SER A 667 9.994 12.488 3.036 1.00 44.52 H new ATOM 1314 N THR A 668 7.585 11.469 -0.396 1.00 74.30 N ATOM 1315 CA THR A 668 7.988 11.582 -1.774 1.00 42.40 C ATOM 1316 C THR A 668 6.819 11.995 -2.665 1.00 1.20 C ATOM 1317 O THR A 668 6.851 13.044 -3.311 1.00 32.44 O ATOM 1318 CB THR A 668 8.553 10.237 -2.280 1.00 61.42 C ATOM 1319 OG1 THR A 668 9.624 9.796 -1.430 1.00 1.11 O ATOM 1320 CG2 THR A 668 9.061 10.335 -3.707 1.00 44.33 C ATOM 0 H THR A 668 7.568 10.511 -0.046 1.00 74.30 H new ATOM 0 HA THR A 668 8.758 12.352 -1.826 1.00 42.40 H new ATOM 0 HB THR A 668 7.735 9.517 -2.256 1.00 61.42 H new ATOM 0 HG1 THR A 668 9.260 9.512 -0.566 1.00 1.11 H new ATOM 0 HG21 THR A 668 9.449 9.367 -4.022 1.00 44.33 H new ATOM 0 HG22 THR A 668 8.243 10.630 -4.365 1.00 44.33 H new ATOM 0 HG23 THR A 668 9.856 11.079 -3.760 1.00 44.33 H new ATOM 1328 N GLU A 669 5.786 11.192 -2.670 1.00 21.14 N ATOM 1329 CA GLU A 669 4.675 11.400 -3.576 1.00 65.33 C ATOM 1330 C GLU A 669 3.760 12.508 -3.037 1.00 61.42 C ATOM 1331 O GLU A 669 3.329 13.388 -3.781 1.00 34.43 O ATOM 1332 CB GLU A 669 3.938 10.062 -3.758 1.00 31.34 C ATOM 1333 CG GLU A 669 2.947 9.978 -4.907 1.00 14.54 C ATOM 1334 CD GLU A 669 1.720 10.857 -4.777 1.00 52.45 C ATOM 1335 OE1 GLU A 669 0.803 10.516 -3.994 1.00 34.22 O ATOM 1336 OE2 GLU A 669 1.649 11.889 -5.469 1.00 73.25 O ATOM 0 H GLU A 669 5.687 10.384 -2.056 1.00 21.14 H new ATOM 0 HA GLU A 669 5.026 11.732 -4.553 1.00 65.33 H new ATOM 0 HB2 GLU A 669 4.684 9.279 -3.894 1.00 31.34 H new ATOM 0 HB3 GLU A 669 3.406 9.838 -2.833 1.00 31.34 H new ATOM 0 HG2 GLU A 669 3.464 10.241 -5.830 1.00 14.54 H new ATOM 0 HG3 GLU A 669 2.621 8.943 -5.008 1.00 14.54 H new ATOM 1343 N GLY A 670 3.523 12.489 -1.734 1.00 51.21 N ATOM 1344 CA GLY A 670 2.656 13.484 -1.101 1.00 31.41 C ATOM 1345 C GLY A 670 3.143 14.921 -1.286 1.00 4.34 C ATOM 1346 O GLY A 670 2.358 15.865 -1.180 1.00 63.32 O ATOM 0 H GLY A 670 3.915 11.800 -1.092 1.00 51.21 H new ATOM 0 HA2 GLY A 670 1.651 13.393 -1.513 1.00 31.41 H new ATOM 0 HA3 GLY A 670 2.585 13.267 -0.035 1.00 31.41 H new ATOM 1350 N ASN A 671 4.427 15.080 -1.561 1.00 24.42 N ATOM 1351 CA ASN A 671 5.014 16.398 -1.797 1.00 2.02 C ATOM 1352 C ASN A 671 4.768 16.828 -3.245 1.00 2.22 C ATOM 1353 O ASN A 671 4.668 18.013 -3.542 1.00 34.20 O ATOM 1354 CB ASN A 671 6.524 16.361 -1.518 1.00 1.23 C ATOM 1355 CG ASN A 671 7.205 17.719 -1.649 1.00 2.01 C ATOM 1356 OD1 ASN A 671 6.605 18.762 -1.398 1.00 74.12 O ATOM 1357 ND2 ASN A 671 8.458 17.713 -2.043 1.00 42.04 N ATOM 0 H ASN A 671 5.091 14.309 -1.628 1.00 24.42 H new ATOM 0 HA ASN A 671 4.545 17.117 -1.125 1.00 2.02 H new ATOM 0 HB2 ASN A 671 6.689 15.977 -0.511 1.00 1.23 H new ATOM 0 HB3 ASN A 671 6.995 15.660 -2.207 1.00 1.23 H new ATOM 0 HD21 ASN A 671 8.963 18.593 -2.149 1.00 42.04 H new ATOM 0 HD22 ASN A 671 8.926 16.829 -2.243 1.00 42.04 H new ATOM 1364 N LYS A 672 4.633 15.846 -4.131 1.00 33.04 N ATOM 1365 CA LYS A 672 4.452 16.096 -5.560 1.00 5.24 C ATOM 1366 C LYS A 672 3.061 16.646 -5.851 1.00 24.04 C ATOM 1367 O LYS A 672 2.917 17.770 -6.312 1.00 25.15 O ATOM 1368 CB LYS A 672 4.696 14.805 -6.371 1.00 63.54 C ATOM 1369 CG LYS A 672 4.501 14.942 -7.896 1.00 52.51 C ATOM 1370 CD LYS A 672 5.517 15.887 -8.546 1.00 34.04 C ATOM 1371 CE LYS A 672 6.940 15.342 -8.470 1.00 24.23 C ATOM 1372 NZ LYS A 672 7.925 16.270 -9.074 1.00 73.21 N ATOM 0 H LYS A 672 4.646 14.857 -3.881 1.00 33.04 H new ATOM 0 HA LYS A 672 5.184 16.845 -5.863 1.00 5.24 H new ATOM 0 HB2 LYS A 672 5.713 14.461 -6.180 1.00 63.54 H new ATOM 0 HB3 LYS A 672 4.023 14.031 -6.003 1.00 63.54 H new ATOM 0 HG2 LYS A 672 4.582 13.958 -8.357 1.00 52.51 H new ATOM 0 HG3 LYS A 672 3.494 15.306 -8.097 1.00 52.51 H new ATOM 0 HD2 LYS A 672 5.246 16.047 -9.590 1.00 34.04 H new ATOM 0 HD3 LYS A 672 5.475 16.858 -8.053 1.00 34.04 H new ATOM 0 HE2 LYS A 672 7.204 15.162 -7.428 1.00 24.23 H new ATOM 0 HE3 LYS A 672 6.987 14.381 -8.981 1.00 24.23 H new ATOM 0 HZ1 LYS A 672 8.878 15.860 -9.001 1.00 73.21 H new ATOM 0 HZ2 LYS A 672 7.690 16.422 -10.076 1.00 73.21 H new ATOM 0 HZ3 LYS A 672 7.899 17.179 -8.570 1.00 73.21 H new ATOM 1386 N ARG A 673 2.043 15.858 -5.579 1.00 4.01 N ATOM 1387 CA ARG A 673 0.677 16.280 -5.873 1.00 74.10 C ATOM 1388 C ARG A 673 0.074 17.086 -4.740 1.00 32.34 C ATOM 1389 O ARG A 673 -0.891 17.814 -4.934 1.00 54.22 O ATOM 1390 CB ARG A 673 -0.219 15.091 -6.177 1.00 2.32 C ATOM 1391 CG ARG A 673 0.170 14.296 -7.405 1.00 14.52 C ATOM 1392 CD ARG A 673 -0.787 13.138 -7.598 1.00 54.30 C ATOM 1393 NE ARG A 673 -0.772 12.250 -6.433 1.00 54.25 N ATOM 1394 CZ ARG A 673 -1.825 11.624 -5.916 1.00 51.35 C ATOM 1395 NH1 ARG A 673 -3.009 11.716 -6.492 1.00 24.53 N ATOM 1396 NH2 ARG A 673 -1.679 10.892 -4.834 1.00 53.22 N ATOM 0 H ARG A 673 2.126 14.932 -5.160 1.00 4.01 H new ATOM 0 HA ARG A 673 0.738 16.916 -6.756 1.00 74.10 H new ATOM 0 HB2 ARG A 673 -0.217 14.424 -5.315 1.00 2.32 H new ATOM 0 HB3 ARG A 673 -1.241 15.448 -6.302 1.00 2.32 H new ATOM 0 HG2 ARG A 673 0.156 14.940 -8.284 1.00 14.52 H new ATOM 0 HG3 ARG A 673 1.189 13.923 -7.299 1.00 14.52 H new ATOM 0 HD2 ARG A 673 -1.796 13.517 -7.759 1.00 54.30 H new ATOM 0 HD3 ARG A 673 -0.511 12.578 -8.491 1.00 54.30 H new ATOM 0 HE ARG A 673 0.128 12.098 -5.977 1.00 54.25 H new ATOM 0 HH11 ARG A 673 -3.122 12.271 -7.341 1.00 24.53 H new ATOM 0 HH12 ARG A 673 -3.811 11.232 -6.089 1.00 24.53 H new ATOM 0 HH21 ARG A 673 -0.762 10.807 -4.396 1.00 53.22 H new ATOM 0 HH22 ARG A 673 -2.483 10.409 -4.433 1.00 53.22 H new ATOM 1410 N GLY A 674 0.625 16.944 -3.559 1.00 73.02 N ATOM 1411 CA GLY A 674 0.083 17.650 -2.422 1.00 54.22 C ATOM 1412 C GLY A 674 -1.005 16.852 -1.743 1.00 25.33 C ATOM 1413 O GLY A 674 -1.609 17.301 -0.758 1.00 43.14 O ATOM 0 H GLY A 674 1.435 16.357 -3.361 1.00 73.02 H new ATOM 0 HA2 GLY A 674 0.880 17.860 -1.709 1.00 54.22 H new ATOM 0 HA3 GLY A 674 -0.317 18.611 -2.746 1.00 54.22 H new ATOM 1417 N MET A 675 -1.263 15.676 -2.267 1.00 3.31 N ATOM 1418 CA MET A 675 -2.250 14.791 -1.714 1.00 44.40 C ATOM 1419 C MET A 675 -1.771 13.379 -1.793 1.00 62.30 C ATOM 1420 O MET A 675 -0.929 13.047 -2.621 1.00 11.14 O ATOM 1421 CB MET A 675 -3.637 14.928 -2.381 1.00 25.23 C ATOM 1422 CG MET A 675 -3.687 14.626 -3.861 1.00 61.43 C ATOM 1423 SD MET A 675 -5.364 14.767 -4.510 1.00 4.00 S ATOM 1424 CE MET A 675 -5.073 14.395 -6.230 1.00 74.21 C ATOM 0 H MET A 675 -0.790 15.309 -3.093 1.00 3.31 H new ATOM 0 HA MET A 675 -2.382 15.080 -0.671 1.00 44.40 H new ATOM 0 HB2 MET A 675 -4.333 14.262 -1.870 1.00 25.23 H new ATOM 0 HB3 MET A 675 -3.996 15.945 -2.224 1.00 25.23 H new ATOM 0 HG2 MET A 675 -3.030 15.312 -4.396 1.00 61.43 H new ATOM 0 HG3 MET A 675 -3.310 13.619 -4.041 1.00 61.43 H new ATOM 0 HE1 MET A 675 -5.780 14.950 -6.847 1.00 74.21 H new ATOM 0 HE2 MET A 675 -4.056 14.681 -6.497 1.00 74.21 H new ATOM 0 HE3 MET A 675 -5.206 13.326 -6.399 1.00 74.21 H new ATOM 1434 N ILE A 676 -2.293 12.578 -0.936 1.00 53.10 N ATOM 1435 CA ILE A 676 -1.957 11.207 -0.831 1.00 32.22 C ATOM 1436 C ILE A 676 -3.191 10.350 -1.122 1.00 22.42 C ATOM 1437 O ILE A 676 -4.296 10.694 -0.742 1.00 62.23 O ATOM 1438 CB ILE A 676 -1.350 10.894 0.579 1.00 14.12 C ATOM 1439 CG1 ILE A 676 -1.130 9.389 0.755 1.00 42.23 C ATOM 1440 CG2 ILE A 676 -2.227 11.466 1.694 1.00 52.41 C ATOM 1441 CD1 ILE A 676 -0.387 8.996 1.997 1.00 30.44 C ATOM 0 H ILE A 676 -2.997 12.875 -0.260 1.00 53.10 H new ATOM 0 HA ILE A 676 -1.194 10.964 -1.570 1.00 32.22 H new ATOM 0 HB ILE A 676 -0.377 11.381 0.646 1.00 14.12 H new ATOM 0 HG12 ILE A 676 -2.101 8.894 0.759 1.00 42.23 H new ATOM 0 HG13 ILE A 676 -0.584 9.014 -0.111 1.00 42.23 H new ATOM 0 HG21 ILE A 676 -1.782 11.234 2.662 1.00 52.41 H new ATOM 0 HG22 ILE A 676 -2.303 12.547 1.579 1.00 52.41 H new ATOM 0 HG23 ILE A 676 -3.222 11.025 1.637 1.00 52.41 H new ATOM 0 HD11 ILE A 676 -0.282 7.912 2.030 1.00 30.44 H new ATOM 0 HD12 ILE A 676 0.601 9.456 1.991 1.00 30.44 H new ATOM 0 HD13 ILE A 676 -0.939 9.334 2.874 1.00 30.44 H new ATOM 1453 N GLN A 677 -2.991 9.271 -1.813 1.00 44.13 N ATOM 1454 CA GLN A 677 -4.071 8.378 -2.192 1.00 43.13 C ATOM 1455 C GLN A 677 -3.984 7.101 -1.386 1.00 0.33 C ATOM 1456 O GLN A 677 -2.928 6.534 -1.249 1.00 11.21 O ATOM 1457 CB GLN A 677 -4.010 8.093 -3.696 1.00 64.14 C ATOM 1458 CG GLN A 677 -5.027 7.070 -4.201 1.00 65.03 C ATOM 1459 CD GLN A 677 -4.985 6.902 -5.711 1.00 44.41 C ATOM 1460 OE1 GLN A 677 -5.236 5.814 -6.234 1.00 42.30 O ATOM 1461 NE2 GLN A 677 -4.744 7.977 -6.423 1.00 21.24 N ATOM 0 H GLN A 677 -2.072 8.972 -2.138 1.00 44.13 H new ATOM 0 HA GLN A 677 -5.029 8.851 -1.978 1.00 43.13 H new ATOM 0 HB2 GLN A 677 -4.160 9.029 -4.234 1.00 64.14 H new ATOM 0 HB3 GLN A 677 -3.009 7.740 -3.943 1.00 64.14 H new ATOM 0 HG2 GLN A 677 -4.835 6.108 -3.726 1.00 65.03 H new ATOM 0 HG3 GLN A 677 -6.028 7.380 -3.901 1.00 65.03 H new ATOM 0 HE21 GLN A 677 -4.540 8.862 -5.958 1.00 21.24 H new ATOM 0 HE22 GLN A 677 -4.761 7.928 -7.442 1.00 21.24 H new ATOM 1470 N LEU A 678 -5.067 6.679 -0.838 1.00 11.12 N ATOM 1471 CA LEU A 678 -5.077 5.497 -0.031 1.00 60.54 C ATOM 1472 C LEU A 678 -6.033 4.507 -0.617 1.00 72.13 C ATOM 1473 O LEU A 678 -7.206 4.816 -0.839 1.00 3.14 O ATOM 1474 CB LEU A 678 -5.504 5.780 1.433 1.00 13.03 C ATOM 1475 CG LEU A 678 -4.723 6.826 2.244 1.00 55.51 C ATOM 1476 CD1 LEU A 678 -3.246 6.504 2.273 1.00 21.15 C ATOM 1477 CD2 LEU A 678 -4.986 8.246 1.748 1.00 44.22 C ATOM 0 H LEU A 678 -5.973 7.137 -0.932 1.00 11.12 H new ATOM 0 HA LEU A 678 -4.059 5.108 -0.018 1.00 60.54 H new ATOM 0 HB2 LEU A 678 -6.550 6.088 1.418 1.00 13.03 H new ATOM 0 HB3 LEU A 678 -5.457 4.837 1.978 1.00 13.03 H new ATOM 0 HG LEU A 678 -5.088 6.781 3.270 1.00 55.51 H new ATOM 0 HD11 LEU A 678 -2.720 7.261 2.854 1.00 21.15 H new ATOM 0 HD12 LEU A 678 -3.096 5.526 2.731 1.00 21.15 H new ATOM 0 HD13 LEU A 678 -2.856 6.492 1.255 1.00 21.15 H new ATOM 0 HD21 LEU A 678 -4.414 8.953 2.349 1.00 44.22 H new ATOM 0 HD22 LEU A 678 -4.683 8.329 0.704 1.00 44.22 H new ATOM 0 HD23 LEU A 678 -6.049 8.471 1.836 1.00 44.22 H new ATOM 1489 N ILE A 679 -5.542 3.355 -0.897 1.00 74.22 N ATOM 1490 CA ILE A 679 -6.363 2.283 -1.342 1.00 54.33 C ATOM 1491 C ILE A 679 -6.433 1.323 -0.229 1.00 24.20 C ATOM 1492 O ILE A 679 -5.420 0.750 0.178 1.00 25.23 O ATOM 1493 CB ILE A 679 -5.785 1.615 -2.592 1.00 12.40 C ATOM 1494 CG1 ILE A 679 -5.753 2.651 -3.690 1.00 63.33 C ATOM 1495 CG2 ILE A 679 -6.662 0.418 -3.007 1.00 43.54 C ATOM 1496 CD1 ILE A 679 -4.948 2.280 -4.901 1.00 44.03 C ATOM 0 H ILE A 679 -4.551 3.125 -0.824 1.00 74.22 H new ATOM 0 HA ILE A 679 -7.352 2.648 -1.618 1.00 54.33 H new ATOM 0 HB ILE A 679 -4.780 1.240 -2.397 1.00 12.40 H new ATOM 0 HG12 ILE A 679 -6.777 2.855 -4.004 1.00 63.33 H new ATOM 0 HG13 ILE A 679 -5.354 3.579 -3.280 1.00 63.33 H new ATOM 0 HG21 ILE A 679 -6.242 -0.050 -3.897 1.00 43.54 H new ATOM 0 HG22 ILE A 679 -6.693 -0.309 -2.195 1.00 43.54 H new ATOM 0 HG23 ILE A 679 -7.673 0.765 -3.222 1.00 43.54 H new ATOM 0 HD11 ILE A 679 -4.990 3.091 -5.628 1.00 44.03 H new ATOM 0 HD12 ILE A 679 -3.912 2.107 -4.610 1.00 44.03 H new ATOM 0 HD13 ILE A 679 -5.356 1.372 -5.345 1.00 44.03 H new ATOM 1508 N VAL A 680 -7.581 1.170 0.279 1.00 25.30 N ATOM 1509 CA VAL A 680 -7.783 0.358 1.427 1.00 1.31 C ATOM 1510 C VAL A 680 -8.801 -0.712 1.165 1.00 4.32 C ATOM 1511 O VAL A 680 -9.678 -0.573 0.299 1.00 24.40 O ATOM 1512 CB VAL A 680 -8.201 1.209 2.665 1.00 55.42 C ATOM 1513 CG1 VAL A 680 -7.077 2.145 3.079 1.00 61.20 C ATOM 1514 CG2 VAL A 680 -9.465 2.020 2.381 1.00 32.11 C ATOM 0 H VAL A 680 -8.429 1.605 -0.085 1.00 25.30 H new ATOM 0 HA VAL A 680 -6.830 -0.121 1.651 1.00 1.31 H new ATOM 0 HB VAL A 680 -8.409 0.517 3.481 1.00 55.42 H new ATOM 0 HG11 VAL A 680 -7.390 2.729 3.944 1.00 61.20 H new ATOM 0 HG12 VAL A 680 -6.193 1.561 3.336 1.00 61.20 H new ATOM 0 HG13 VAL A 680 -6.841 2.817 2.254 1.00 61.20 H new ATOM 0 HG21 VAL A 680 -9.730 2.602 3.264 1.00 32.11 H new ATOM 0 HG22 VAL A 680 -9.285 2.693 1.543 1.00 32.11 H new ATOM 0 HG23 VAL A 680 -10.283 1.344 2.134 1.00 32.11 H new ATOM 1524 N ALA A 681 -8.663 -1.772 1.870 1.00 43.32 N ATOM 1525 CA ALA A 681 -9.564 -2.844 1.821 1.00 45.15 C ATOM 1526 C ALA A 681 -10.270 -2.898 3.124 1.00 53.23 C ATOM 1527 O ALA A 681 -9.648 -2.871 4.188 1.00 41.40 O ATOM 1528 CB ALA A 681 -8.855 -4.154 1.566 1.00 42.44 C ATOM 0 H ALA A 681 -7.889 -1.915 2.519 1.00 43.32 H new ATOM 0 HA ALA A 681 -10.265 -2.692 1.000 1.00 45.15 H new ATOM 0 HB1 ALA A 681 -9.585 -4.963 1.534 1.00 42.44 H new ATOM 0 HB2 ALA A 681 -8.328 -4.103 0.613 1.00 42.44 H new ATOM 0 HB3 ALA A 681 -8.139 -4.342 2.366 1.00 42.44 H new ATOM 1534 N ARG A 682 -11.518 -3.020 3.060 1.00 10.10 N ATOM 1535 CA ARG A 682 -12.321 -3.031 4.216 1.00 1.15 C ATOM 1536 C ARG A 682 -12.806 -4.407 4.416 1.00 74.54 C ATOM 1537 O ARG A 682 -13.373 -4.995 3.494 1.00 52.14 O ATOM 1538 CB ARG A 682 -13.529 -2.187 3.980 1.00 51.15 C ATOM 1539 CG ARG A 682 -14.506 -2.260 5.106 1.00 71.31 C ATOM 1540 CD ARG A 682 -15.832 -1.790 4.666 1.00 5.50 C ATOM 1541 NE ARG A 682 -16.790 -1.727 5.764 1.00 54.21 N ATOM 1542 CZ ARG A 682 -18.107 -1.613 5.607 1.00 2.14 C ATOM 1543 NH1 ARG A 682 -18.650 -1.705 4.390 1.00 30.00 N ATOM 1544 NH2 ARG A 682 -18.887 -1.446 6.671 1.00 14.43 N ATOM 0 H ARG A 682 -12.036 -3.118 2.187 1.00 10.10 H new ATOM 0 HA ARG A 682 -11.747 -2.666 5.068 1.00 1.15 H new ATOM 0 HB2 ARG A 682 -13.222 -1.151 3.836 1.00 51.15 H new ATOM 0 HB3 ARG A 682 -14.017 -2.506 3.059 1.00 51.15 H new ATOM 0 HG2 ARG A 682 -14.578 -3.286 5.468 1.00 71.31 H new ATOM 0 HG3 ARG A 682 -14.156 -1.652 5.940 1.00 71.31 H new ATOM 0 HD2 ARG A 682 -15.734 -0.802 4.216 1.00 5.50 H new ATOM 0 HD3 ARG A 682 -16.213 -2.457 3.892 1.00 5.50 H new ATOM 0 HE ARG A 682 -16.427 -1.773 6.716 1.00 54.21 H new ATOM 0 HH11 ARG A 682 -18.055 -1.863 3.577 1.00 30.00 H new ATOM 0 HH12 ARG A 682 -19.660 -1.617 4.274 1.00 30.00 H new ATOM 0 HH21 ARG A 682 -18.476 -1.406 7.604 1.00 14.43 H new ATOM 0 HH22 ARG A 682 -19.897 -1.358 6.555 1.00 14.43 H new ATOM 1839 N GLU B 780 4.395 -3.241 16.346 1.00 65.32 N ATOM 1840 CA GLU B 780 4.446 -2.623 15.054 1.00 32.04 C ATOM 1841 C GLU B 780 3.226 -1.778 14.759 1.00 51.22 C ATOM 1842 O GLU B 780 2.179 -2.268 14.317 1.00 35.23 O ATOM 1843 CB GLU B 780 4.739 -3.664 13.988 1.00 14.22 C ATOM 1844 CG GLU B 780 6.144 -4.220 14.138 1.00 35.43 C ATOM 1845 CD GLU B 780 6.408 -5.466 13.347 1.00 54.44 C ATOM 1846 OE1 GLU B 780 6.412 -5.436 12.103 1.00 2.11 O ATOM 1847 OE2 GLU B 780 6.656 -6.504 13.968 1.00 12.41 O ATOM 0 HA GLU B 780 5.272 -1.912 15.048 1.00 32.04 H new ATOM 0 HB2 GLU B 780 4.014 -4.475 14.059 1.00 14.22 H new ATOM 0 HB3 GLU B 780 4.624 -3.219 13.000 1.00 14.22 H new ATOM 0 HG2 GLU B 780 6.858 -3.454 13.835 1.00 35.43 H new ATOM 0 HG3 GLU B 780 6.328 -4.428 15.192 1.00 35.43 H new ATOM 1854 N GLU B 781 3.386 -0.518 15.051 1.00 20.44 N ATOM 1855 CA GLU B 781 2.410 0.529 14.863 1.00 62.32 C ATOM 1856 C GLU B 781 3.105 1.686 14.210 1.00 44.31 C ATOM 1857 O GLU B 781 4.308 1.873 14.409 1.00 52.42 O ATOM 1858 CB GLU B 781 1.856 0.954 16.214 1.00 3.44 C ATOM 1859 CG GLU B 781 0.906 -0.036 16.839 1.00 61.42 C ATOM 1860 CD GLU B 781 0.859 0.065 18.338 1.00 22.14 C ATOM 1861 OE1 GLU B 781 1.695 -0.572 19.006 1.00 71.33 O ATOM 1862 OE2 GLU B 781 0.005 0.782 18.877 1.00 64.02 O ATOM 0 H GLU B 781 4.256 -0.168 15.453 1.00 20.44 H new ATOM 0 HA GLU B 781 1.584 0.182 14.242 1.00 62.32 H new ATOM 0 HB2 GLU B 781 2.688 1.121 16.898 1.00 3.44 H new ATOM 0 HB3 GLU B 781 1.342 1.908 16.098 1.00 3.44 H new ATOM 0 HG2 GLU B 781 -0.094 0.125 16.437 1.00 61.42 H new ATOM 0 HG3 GLU B 781 1.204 -1.046 16.557 1.00 61.42 H new ATOM 1869 N LEU B 782 2.390 2.430 13.425 1.00 42.21 N ATOM 1870 CA LEU B 782 2.953 3.522 12.733 1.00 34.41 C ATOM 1871 C LEU B 782 1.894 4.620 12.652 1.00 43.34 C ATOM 1872 O LEU B 782 0.742 4.347 12.357 1.00 54.04 O ATOM 1873 CB LEU B 782 3.349 3.015 11.330 1.00 74.13 C ATOM 1874 CG LEU B 782 4.412 3.786 10.557 1.00 50.32 C ATOM 1875 CD1 LEU B 782 3.973 5.183 10.207 1.00 52.13 C ATOM 1876 CD2 LEU B 782 5.702 3.778 11.346 1.00 71.31 C ATOM 0 H LEU B 782 1.395 2.287 13.252 1.00 42.21 H new ATOM 0 HA LEU B 782 3.835 3.927 13.230 1.00 34.41 H new ATOM 0 HB2 LEU B 782 3.694 1.986 11.433 1.00 74.13 H new ATOM 0 HB3 LEU B 782 2.447 2.989 10.719 1.00 74.13 H new ATOM 0 HG LEU B 782 4.575 3.287 9.602 1.00 50.32 H new ATOM 0 HD11 LEU B 782 4.768 5.687 9.657 1.00 52.13 H new ATOM 0 HD12 LEU B 782 3.076 5.138 9.589 1.00 52.13 H new ATOM 0 HD13 LEU B 782 3.757 5.736 11.121 1.00 52.13 H new ATOM 0 HD21 LEU B 782 6.467 4.328 10.798 1.00 71.31 H new ATOM 0 HD22 LEU B 782 5.539 4.250 12.315 1.00 71.31 H new ATOM 0 HD23 LEU B 782 6.031 2.750 11.495 1.00 71.31 H new ATOM 1888 N ILE B 783 2.266 5.823 12.956 1.00 32.14 N ATOM 1889 CA ILE B 783 1.342 6.948 12.849 1.00 64.11 C ATOM 1890 C ILE B 783 1.672 7.736 11.601 1.00 33.22 C ATOM 1891 O ILE B 783 2.841 8.104 11.374 1.00 64.12 O ATOM 1892 CB ILE B 783 1.346 7.917 14.098 1.00 12.50 C ATOM 1893 CG1 ILE B 783 0.883 7.212 15.404 1.00 75.35 C ATOM 1894 CG2 ILE B 783 0.465 9.156 13.839 1.00 50.24 C ATOM 1895 CD1 ILE B 783 1.832 6.157 15.954 1.00 24.04 C ATOM 0 H ILE B 783 3.200 6.069 13.282 1.00 32.14 H new ATOM 0 HA ILE B 783 0.340 6.522 12.804 1.00 64.11 H new ATOM 0 HB ILE B 783 2.381 8.229 14.238 1.00 12.50 H new ATOM 0 HG12 ILE B 783 0.729 7.971 16.171 1.00 75.35 H new ATOM 0 HG13 ILE B 783 -0.084 6.744 15.220 1.00 75.35 H new ATOM 0 HG21 ILE B 783 0.485 9.806 14.714 1.00 50.24 H new ATOM 0 HG22 ILE B 783 0.846 9.699 12.974 1.00 50.24 H new ATOM 0 HG23 ILE B 783 -0.560 8.840 13.646 1.00 50.24 H new ATOM 0 HD11 ILE B 783 1.412 5.730 16.865 1.00 24.04 H new ATOM 0 HD12 ILE B 783 1.969 5.369 15.213 1.00 24.04 H new ATOM 0 HD13 ILE B 783 2.795 6.616 16.179 1.00 24.04 H new ATOM 1907 N ILE B 784 0.681 7.989 10.785 1.00 41.11 N ATOM 1908 CA ILE B 784 0.899 8.707 9.590 1.00 70.14 C ATOM 1909 C ILE B 784 0.371 10.138 9.698 1.00 2.33 C ATOM 1910 O ILE B 784 1.165 11.032 10.116 1.00 39.02 O ATOM 1911 CB ILE B 784 0.402 7.947 8.319 1.00 70.23 C ATOM 1912 CG1 ILE B 784 -1.034 7.430 8.479 1.00 3.11 C ATOM 1913 CG2 ILE B 784 1.354 6.793 7.984 1.00 4.41 C ATOM 1914 CD1 ILE B 784 -1.589 6.788 7.228 1.00 72.24 C ATOM 1915 OXT ILE B 784 -0.809 10.387 9.406 1.00 39.02 O ATOM 0 H ILE B 784 -0.284 7.700 10.942 1.00 41.11 H new ATOM 0 HA ILE B 784 1.978 8.786 9.453 1.00 70.14 H new ATOM 0 HB ILE B 784 0.398 8.659 7.494 1.00 70.23 H new ATOM 0 HG12 ILE B 784 -1.062 6.705 9.292 1.00 3.11 H new ATOM 0 HG13 ILE B 784 -1.680 8.259 8.769 1.00 3.11 H new ATOM 0 HG21 ILE B 784 0.996 6.272 7.096 1.00 4.41 H new ATOM 0 HG22 ILE B 784 2.352 7.188 7.795 1.00 4.41 H new ATOM 0 HG23 ILE B 784 1.392 6.097 8.822 1.00 4.41 H new ATOM 0 HD11 ILE B 784 -2.607 6.446 7.415 1.00 72.24 H new ATOM 0 HD12 ILE B 784 -1.594 7.516 6.417 1.00 72.24 H new ATOM 0 HD13 ILE B 784 -0.967 5.938 6.949 1.00 72.24 H new