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 Set 1.1: A 675 MET CE :methyl -164:sc= -0.278 (180deg=-0.697) USER MOD Set 1.2: A 677 GLN : amide:sc= -3.26! C(o=-3.5!,f=-8.7!) USER MOD Set 2.1: A 626 ASN : amide:sc= 0 X(o=1.4,f=0.96) USER MOD Set 2.2: A 631 SER OG : rot -42:sc= 1.43 USER MOD Single : A 588 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 594 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 596 SER OG : rot -13:sc= -1.22! USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -1.22 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -1.99 K(o=-2,f=-3.3!) USER MOD Single : A 610 SER OG : rot -150:sc= -0.336 USER MOD Single : A 622 LYS NZ :NH3+ 149:sc= -0.932 (180deg=-2.09!) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 136:sc= 1.25 (180deg=1.02) USER MOD Single : A 639 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.57) USER MOD Single : A 641 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.55) USER MOD Single : A 646 ASN : amide:sc= -2.47 K(o=-2.5,f=-4.9!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ -128:sc= -0.977 (180deg=-3.12!) USER MOD Single : A 655 ASN : amide:sc= -1.85! C(o=-1.9!,f=-2.7!) USER MOD Single : A 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 659 MET CE :methyl -150:sc= 0 (180deg=-2.33) USER MOD Single : A 661 THR OG1 : rot 71:sc= 0.399 USER MOD Single : A 665 SER OG : rot 77:sc= 0.417 USER MOD Single : A 666 MET CE :methyl -158:sc= -5.34! (180deg=-6.53!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 85:sc= 0.0695 USER MOD Single : A 671 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.751 -5.156 0.199 1.00 63.44 N ATOM 79 CA GLU A 585 -13.728 -4.372 -1.025 1.00 32.02 C ATOM 80 C GLU A 585 -12.611 -3.395 -0.966 1.00 43.11 C ATOM 81 O GLU A 585 -12.167 -3.011 0.119 1.00 23.52 O ATOM 82 CB GLU A 585 -15.003 -3.556 -1.189 1.00 20.23 C ATOM 83 CG GLU A 585 -16.268 -4.339 -1.172 1.00 75.42 C ATOM 84 CD GLU A 585 -17.475 -3.463 -1.370 1.00 13.30 C ATOM 85 OE1 GLU A 585 -17.784 -2.639 -0.472 1.00 32.54 O ATOM 86 OE2 GLU A 585 -18.151 -3.602 -2.406 1.00 75.32 O ATOM 0 HA GLU A 585 -13.620 -5.072 -1.853 1.00 32.02 H new ATOM 0 HB2 GLU A 585 -15.044 -2.814 -0.392 1.00 20.23 H new ATOM 0 HB3 GLU A 585 -14.946 -3.010 -2.131 1.00 20.23 H new ATOM 0 HG2 GLU A 585 -16.237 -5.096 -1.956 1.00 75.42 H new ATOM 0 HG3 GLU A 585 -16.355 -4.867 -0.222 1.00 75.42 H new ATOM 93 N PHE A 586 -12.171 -2.982 -2.109 1.00 34.03 N ATOM 94 CA PHE A 586 -11.169 -1.983 -2.206 1.00 34.23 C ATOM 95 C PHE A 586 -11.816 -0.670 -2.430 1.00 23.53 C ATOM 96 O PHE A 586 -12.552 -0.490 -3.414 1.00 34.14 O ATOM 97 CB PHE A 586 -10.219 -2.298 -3.350 1.00 70.31 C ATOM 98 CG PHE A 586 -9.445 -3.512 -3.072 1.00 12.02 C ATOM 99 CD1 PHE A 586 -8.252 -3.415 -2.420 1.00 32.30 C ATOM 100 CD2 PHE A 586 -9.929 -4.758 -3.416 1.00 51.21 C ATOM 101 CE1 PHE A 586 -7.543 -4.537 -2.110 1.00 3.00 C ATOM 102 CE2 PHE A 586 -9.219 -5.888 -3.113 1.00 13.45 C ATOM 103 CZ PHE A 586 -8.019 -5.778 -2.456 1.00 64.52 C ATOM 0 H PHE A 586 -12.502 -3.334 -3.007 1.00 34.03 H new ATOM 0 HA PHE A 586 -10.594 -1.955 -1.280 1.00 34.23 H new ATOM 0 HB2 PHE A 586 -10.785 -2.427 -4.272 1.00 70.31 H new ATOM 0 HB3 PHE A 586 -9.542 -1.459 -3.506 1.00 70.31 H new ATOM 0 HD1 PHE A 586 -7.866 -2.444 -2.148 1.00 32.30 H new ATOM 0 HD2 PHE A 586 -10.876 -4.842 -3.929 1.00 51.21 H new ATOM 0 HE1 PHE A 586 -6.601 -4.450 -1.589 1.00 3.00 H new ATOM 0 HE2 PHE A 586 -9.600 -6.860 -3.389 1.00 13.45 H new ATOM 0 HZ PHE A 586 -7.451 -6.664 -2.212 1.00 64.52 H new ATOM 113 N LEU A 587 -11.574 0.239 -1.553 1.00 61.05 N ATOM 114 CA LEU A 587 -12.106 1.554 -1.693 1.00 54.44 C ATOM 115 C LEU A 587 -10.989 2.507 -1.677 1.00 5.23 C ATOM 116 O LEU A 587 -9.971 2.281 -1.011 1.00 71.12 O ATOM 117 CB LEU A 587 -13.138 1.903 -0.622 1.00 22.32 C ATOM 118 CG LEU A 587 -14.399 1.043 -0.593 1.00 41.20 C ATOM 119 CD1 LEU A 587 -15.346 1.518 0.489 1.00 4.23 C ATOM 120 CD2 LEU A 587 -15.107 1.027 -1.944 1.00 15.31 C ATOM 0 H LEU A 587 -11.004 0.096 -0.719 1.00 61.05 H new ATOM 0 HA LEU A 587 -12.642 1.607 -2.641 1.00 54.44 H new ATOM 0 HB2 LEU A 587 -12.655 1.836 0.353 1.00 22.32 H new ATOM 0 HB3 LEU A 587 -13.436 2.943 -0.759 1.00 22.32 H new ATOM 0 HG LEU A 587 -14.089 0.022 -0.369 1.00 41.20 H new ATOM 0 HD11 LEU A 587 -16.238 0.892 0.492 1.00 4.23 H new ATOM 0 HD12 LEU A 587 -14.853 1.452 1.459 1.00 4.23 H new ATOM 0 HD13 LEU A 587 -15.630 2.552 0.296 1.00 4.23 H new ATOM 0 HD21 LEU A 587 -15.999 0.404 -1.880 1.00 15.31 H new ATOM 0 HD22 LEU A 587 -15.393 2.043 -2.217 1.00 15.31 H new ATOM 0 HD23 LEU A 587 -14.436 0.623 -2.702 1.00 15.31 H new ATOM 132 N THR A 588 -11.137 3.533 -2.404 1.00 60.55 N ATOM 133 CA THR A 588 -10.102 4.481 -2.528 1.00 71.12 C ATOM 134 C THR A 588 -10.495 5.784 -1.849 1.00 22.13 C ATOM 135 O THR A 588 -11.528 6.384 -2.165 1.00 3.51 O ATOM 136 CB THR A 588 -9.793 4.707 -4.012 1.00 70.05 C ATOM 137 OG1 THR A 588 -9.576 3.418 -4.619 1.00 44.11 O ATOM 138 CG2 THR A 588 -8.541 5.534 -4.176 1.00 21.52 C ATOM 0 H THR A 588 -11.981 3.747 -2.936 1.00 60.55 H new ATOM 0 HA THR A 588 -9.205 4.105 -2.036 1.00 71.12 H new ATOM 0 HB THR A 588 -10.624 5.234 -4.480 1.00 70.05 H new ATOM 0 HG1 THR A 588 -9.378 3.534 -5.572 1.00 44.11 H new ATOM 0 HG21 THR A 588 -8.340 5.683 -5.237 1.00 21.52 H new ATOM 0 HG22 THR A 588 -8.678 6.502 -3.694 1.00 21.52 H new ATOM 0 HG23 THR A 588 -7.700 5.016 -3.716 1.00 21.52 H new ATOM 146 N PHE A 589 -9.697 6.192 -0.904 1.00 2.30 N ATOM 147 CA PHE A 589 -9.913 7.417 -0.216 1.00 34.40 C ATOM 148 C PHE A 589 -8.838 8.409 -0.592 1.00 71.02 C ATOM 149 O PHE A 589 -7.666 8.057 -0.704 1.00 1.51 O ATOM 150 CB PHE A 589 -9.958 7.200 1.291 1.00 54.23 C ATOM 151 CG PHE A 589 -11.123 6.359 1.712 1.00 43.01 C ATOM 152 CD1 PHE A 589 -12.388 6.675 1.270 1.00 73.30 C ATOM 153 CD2 PHE A 589 -10.964 5.274 2.554 1.00 53.44 C ATOM 154 CE1 PHE A 589 -13.472 5.940 1.647 1.00 63.00 C ATOM 155 CE2 PHE A 589 -12.058 4.520 2.944 1.00 4.33 C ATOM 156 CZ PHE A 589 -13.317 4.856 2.489 1.00 24.40 C ATOM 0 H PHE A 589 -8.875 5.675 -0.593 1.00 2.30 H new ATOM 0 HA PHE A 589 -10.881 7.820 -0.514 1.00 34.40 H new ATOM 0 HB2 PHE A 589 -9.033 6.723 1.614 1.00 54.23 H new ATOM 0 HB3 PHE A 589 -10.010 8.166 1.793 1.00 54.23 H new ATOM 0 HD1 PHE A 589 -12.524 7.521 0.612 1.00 73.30 H new ATOM 0 HD2 PHE A 589 -9.979 5.012 2.910 1.00 53.44 H new ATOM 0 HE1 PHE A 589 -14.455 6.206 1.286 1.00 63.00 H new ATOM 0 HE2 PHE A 589 -11.927 3.673 3.601 1.00 4.33 H new ATOM 0 HZ PHE A 589 -14.176 4.275 2.790 1.00 24.40 H new ATOM 166 N GLU A 590 -9.228 9.622 -0.807 1.00 40.23 N ATOM 167 CA GLU A 590 -8.317 10.653 -1.230 1.00 3.15 C ATOM 168 C GLU A 590 -8.118 11.628 -0.118 1.00 33.35 C ATOM 169 O GLU A 590 -9.091 12.152 0.430 1.00 21.42 O ATOM 170 CB GLU A 590 -8.913 11.374 -2.401 1.00 62.33 C ATOM 171 CG GLU A 590 -9.249 10.468 -3.541 1.00 50.14 C ATOM 172 CD GLU A 590 -9.989 11.176 -4.619 1.00 4.04 C ATOM 173 OE1 GLU A 590 -11.241 11.226 -4.555 1.00 40.32 O ATOM 174 OE2 GLU A 590 -9.357 11.694 -5.540 1.00 31.34 O ATOM 0 H GLU A 590 -10.192 9.935 -0.696 1.00 40.23 H new ATOM 0 HA GLU A 590 -7.361 10.207 -1.505 1.00 3.15 H new ATOM 0 HB2 GLU A 590 -9.816 11.892 -2.079 1.00 62.33 H new ATOM 0 HB3 GLU A 590 -8.213 12.136 -2.745 1.00 62.33 H new ATOM 0 HG2 GLU A 590 -8.331 10.045 -3.950 1.00 50.14 H new ATOM 0 HG3 GLU A 590 -9.850 9.635 -3.176 1.00 50.14 H new ATOM 181 N VAL A 591 -6.895 11.892 0.214 1.00 52.23 N ATOM 182 CA VAL A 591 -6.609 12.806 1.295 1.00 54.22 C ATOM 183 C VAL A 591 -5.614 13.841 0.797 1.00 63.02 C ATOM 184 O VAL A 591 -4.522 13.500 0.413 1.00 51.25 O ATOM 185 CB VAL A 591 -6.020 12.042 2.534 1.00 62.25 C ATOM 186 CG1 VAL A 591 -5.732 12.986 3.690 1.00 21.44 C ATOM 187 CG2 VAL A 591 -6.969 10.945 2.995 1.00 2.20 C ATOM 0 H VAL A 591 -6.074 11.493 -0.241 1.00 52.23 H new ATOM 0 HA VAL A 591 -7.531 13.292 1.613 1.00 54.22 H new ATOM 0 HB VAL A 591 -5.080 11.592 2.215 1.00 62.25 H new ATOM 0 HG11 VAL A 591 -5.326 12.421 4.529 1.00 21.44 H new ATOM 0 HG12 VAL A 591 -5.008 13.738 3.374 1.00 21.44 H new ATOM 0 HG13 VAL A 591 -6.655 13.478 3.997 1.00 21.44 H new ATOM 0 HG21 VAL A 591 -6.540 10.430 3.854 1.00 2.20 H new ATOM 0 HG22 VAL A 591 -7.925 11.386 3.277 1.00 2.20 H new ATOM 0 HG23 VAL A 591 -7.123 10.233 2.184 1.00 2.20 H new ATOM 197 N PRO A 592 -5.982 15.105 0.752 1.00 12.11 N ATOM 198 CA PRO A 592 -5.080 16.136 0.313 1.00 43.22 C ATOM 199 C PRO A 592 -4.174 16.607 1.438 1.00 51.22 C ATOM 200 O PRO A 592 -4.561 16.592 2.621 1.00 14.13 O ATOM 201 CB PRO A 592 -6.001 17.244 -0.155 1.00 65.31 C ATOM 202 CG PRO A 592 -7.227 17.091 0.667 1.00 41.10 C ATOM 203 CD PRO A 592 -7.307 15.642 1.096 1.00 65.31 C ATOM 0 HA PRO A 592 -4.403 15.792 -0.468 1.00 43.22 H new ATOM 0 HB2 PRO A 592 -5.547 18.224 -0.009 1.00 65.31 H new ATOM 0 HB3 PRO A 592 -6.223 17.151 -1.218 1.00 65.31 H new ATOM 0 HG2 PRO A 592 -7.190 17.747 1.537 1.00 41.10 H new ATOM 0 HG3 PRO A 592 -8.111 17.371 0.094 1.00 41.10 H new ATOM 0 HD2 PRO A 592 -7.512 15.551 2.163 1.00 65.31 H new ATOM 0 HD3 PRO A 592 -8.103 15.112 0.572 1.00 65.31 H new ATOM 211 N LEU A 593 -2.977 17.015 1.087 1.00 11.24 N ATOM 212 CA LEU A 593 -2.021 17.487 2.060 1.00 51.14 C ATOM 213 C LEU A 593 -2.343 18.891 2.501 1.00 33.14 C ATOM 214 O LEU A 593 -1.734 19.862 2.064 1.00 14.34 O ATOM 215 CB LEU A 593 -0.534 17.353 1.614 1.00 43.20 C ATOM 216 CG LEU A 593 0.119 15.942 1.628 1.00 75.23 C ATOM 217 CD1 LEU A 593 0.189 15.378 3.032 1.00 75.45 C ATOM 218 CD2 LEU A 593 -0.600 14.975 0.723 1.00 51.42 C ATOM 0 H LEU A 593 -2.640 17.029 0.124 1.00 11.24 H new ATOM 0 HA LEU A 593 -2.121 16.821 2.917 1.00 51.14 H new ATOM 0 HB2 LEU A 593 -0.455 17.745 0.600 1.00 43.20 H new ATOM 0 HB3 LEU A 593 0.064 18.002 2.254 1.00 43.20 H new ATOM 0 HG LEU A 593 1.133 16.069 1.250 1.00 75.23 H new ATOM 0 HD11 LEU A 593 0.651 14.391 3.005 1.00 75.45 H new ATOM 0 HD12 LEU A 593 0.784 16.040 3.661 1.00 75.45 H new ATOM 0 HD13 LEU A 593 -0.818 15.296 3.442 1.00 75.45 H new ATOM 0 HD21 LEU A 593 -0.109 14.003 0.765 1.00 51.42 H new ATOM 0 HD22 LEU A 593 -1.635 14.873 1.049 1.00 51.42 H new ATOM 0 HD23 LEU A 593 -0.577 15.349 -0.301 1.00 51.42 H new ATOM 230 N ASN A 594 -3.376 18.986 3.288 1.00 72.44 N ATOM 231 CA ASN A 594 -3.783 20.248 3.898 1.00 21.21 C ATOM 232 C ASN A 594 -3.739 20.099 5.399 1.00 43.14 C ATOM 233 O ASN A 594 -2.822 20.585 6.057 1.00 54.02 O ATOM 234 CB ASN A 594 -5.188 20.708 3.451 1.00 71.24 C ATOM 235 CG ASN A 594 -5.312 21.093 1.981 1.00 53.13 C ATOM 236 OD1 ASN A 594 -4.644 20.543 1.104 1.00 34.40 O ATOM 237 ND2 ASN A 594 -6.166 22.050 1.706 1.00 70.31 N ATOM 0 H ASN A 594 -3.971 18.195 3.534 1.00 72.44 H new ATOM 0 HA ASN A 594 -3.087 21.018 3.566 1.00 21.21 H new ATOM 0 HB2 ASN A 594 -5.898 19.908 3.661 1.00 71.24 H new ATOM 0 HB3 ASN A 594 -5.483 21.563 4.059 1.00 71.24 H new ATOM 0 HD21 ASN A 594 -6.292 22.359 0.742 1.00 70.31 H new ATOM 0 HD22 ASN A 594 -6.704 22.485 2.456 1.00 70.31 H new ATOM 244 N ASP A 595 -4.727 19.392 5.947 1.00 40.22 N ATOM 245 CA ASP A 595 -4.722 19.031 7.383 1.00 64.32 C ATOM 246 C ASP A 595 -3.954 17.754 7.527 1.00 44.12 C ATOM 247 O ASP A 595 -3.748 17.225 8.605 1.00 54.34 O ATOM 248 CB ASP A 595 -6.135 18.879 7.956 1.00 72.53 C ATOM 249 CG ASP A 595 -6.924 20.160 7.968 1.00 11.12 C ATOM 250 OD1 ASP A 595 -7.521 20.511 6.933 1.00 12.20 O ATOM 251 OD2 ASP A 595 -6.984 20.826 9.017 1.00 73.30 O ATOM 0 H ASP A 595 -5.540 19.055 5.431 1.00 40.22 H new ATOM 0 HA ASP A 595 -4.254 19.835 7.950 1.00 64.32 H new ATOM 0 HB2 ASP A 595 -6.676 18.135 7.372 1.00 72.53 H new ATOM 0 HB3 ASP A 595 -6.065 18.496 8.974 1.00 72.53 H new ATOM 256 N SER A 596 -3.566 17.263 6.411 1.00 3.14 N ATOM 257 CA SER A 596 -2.699 16.165 6.282 1.00 53.33 C ATOM 258 C SER A 596 -1.399 16.796 5.943 1.00 64.05 C ATOM 259 O SER A 596 -1.297 17.594 5.034 1.00 30.33 O ATOM 260 CB SER A 596 -3.223 15.251 5.176 1.00 74.02 C ATOM 261 OG SER A 596 -2.458 14.098 4.950 1.00 42.03 O ATOM 0 H SER A 596 -3.865 17.642 5.513 1.00 3.14 H new ATOM 0 HA SER A 596 -2.612 15.538 7.169 1.00 53.33 H new ATOM 0 HB2 SER A 596 -4.241 14.951 5.425 1.00 74.02 H new ATOM 0 HB3 SER A 596 -3.277 15.821 4.249 1.00 74.02 H new ATOM 0 HG SER A 596 -1.596 14.182 5.408 1.00 42.03 H new ATOM 267 N GLY A 597 -0.472 16.496 6.715 1.00 22.31 N ATOM 268 CA GLY A 597 0.810 17.121 6.641 1.00 35.34 C ATOM 269 C GLY A 597 1.045 17.811 7.937 1.00 62.22 C ATOM 270 O GLY A 597 2.165 18.137 8.302 1.00 73.33 O ATOM 0 H GLY A 597 -0.552 15.792 7.449 1.00 22.31 H new ATOM 0 HA2 GLY A 597 1.588 16.380 6.454 1.00 35.34 H new ATOM 0 HA3 GLY A 597 0.843 17.833 5.816 1.00 35.34 H new ATOM 274 N SER A 598 -0.059 18.020 8.659 1.00 20.01 N ATOM 275 CA SER A 598 -0.023 18.567 9.984 1.00 62.14 C ATOM 276 C SER A 598 0.587 17.537 10.918 1.00 14.22 C ATOM 277 O SER A 598 1.119 17.864 11.979 1.00 2.55 O ATOM 278 CB SER A 598 -1.418 18.964 10.413 1.00 15.52 C ATOM 279 OG SER A 598 -1.978 19.896 9.483 1.00 61.13 O ATOM 0 H SER A 598 -0.999 17.808 8.324 1.00 20.01 H new ATOM 0 HA SER A 598 0.592 19.466 10.012 1.00 62.14 H new ATOM 0 HB2 SER A 598 -2.051 18.079 10.477 1.00 15.52 H new ATOM 0 HB3 SER A 598 -1.387 19.407 11.408 1.00 15.52 H new ATOM 0 HG SER A 598 -2.881 20.143 9.771 1.00 61.13 H new ATOM 285 N ALA A 599 0.463 16.303 10.513 1.00 12.41 N ATOM 286 CA ALA A 599 1.171 15.193 11.126 1.00 65.31 C ATOM 287 C ALA A 599 1.704 14.354 9.994 1.00 1.35 C ATOM 288 O ALA A 599 2.912 14.281 9.737 1.00 64.23 O ATOM 289 CB ALA A 599 0.246 14.378 12.032 1.00 51.31 C ATOM 0 H ALA A 599 -0.139 16.027 9.737 1.00 12.41 H new ATOM 0 HA ALA A 599 1.980 15.550 11.763 1.00 65.31 H new ATOM 0 HB1 ALA A 599 0.805 13.554 12.476 1.00 51.31 H new ATOM 0 HB2 ALA A 599 -0.146 15.018 12.822 1.00 51.31 H new ATOM 0 HB3 ALA A 599 -0.581 13.980 11.444 1.00 51.31 H new ATOM 295 N GLY A 600 0.793 13.775 9.312 1.00 54.15 N ATOM 296 CA GLY A 600 1.048 13.050 8.110 1.00 12.24 C ATOM 297 C GLY A 600 -0.222 13.033 7.361 1.00 72.40 C ATOM 298 O GLY A 600 -0.373 13.720 6.382 1.00 44.44 O ATOM 0 H GLY A 600 -0.192 13.788 9.578 1.00 54.15 H new ATOM 0 HA2 GLY A 600 1.837 13.527 7.528 1.00 12.24 H new ATOM 0 HA3 GLY A 600 1.383 12.037 8.331 1.00 12.24 H new ATOM 302 N LEU A 601 -1.143 12.266 7.862 1.00 52.35 N ATOM 303 CA LEU A 601 -2.532 12.241 7.415 1.00 32.42 C ATOM 304 C LEU A 601 -3.407 12.471 8.592 1.00 11.10 C ATOM 305 O LEU A 601 -4.413 13.209 8.532 1.00 21.34 O ATOM 306 CB LEU A 601 -2.938 10.900 6.782 1.00 43.44 C ATOM 307 CG LEU A 601 -2.571 10.666 5.324 1.00 62.53 C ATOM 308 CD1 LEU A 601 -1.094 10.624 5.139 1.00 50.13 C ATOM 309 CD2 LEU A 601 -3.218 9.389 4.827 1.00 12.40 C ATOM 0 H LEU A 601 -0.956 11.611 8.621 1.00 52.35 H new ATOM 0 HA LEU A 601 -2.641 13.015 6.655 1.00 32.42 H new ATOM 0 HB2 LEU A 601 -2.490 10.101 7.373 1.00 43.44 H new ATOM 0 HB3 LEU A 601 -4.019 10.798 6.876 1.00 43.44 H new ATOM 0 HG LEU A 601 -2.948 11.502 4.734 1.00 62.53 H new ATOM 0 HD11 LEU A 601 -0.864 10.455 4.087 1.00 50.13 H new ATOM 0 HD12 LEU A 601 -0.660 11.572 5.458 1.00 50.13 H new ATOM 0 HD13 LEU A 601 -0.675 9.814 5.736 1.00 50.13 H new ATOM 0 HD21 LEU A 601 -2.951 9.228 3.783 1.00 12.40 H new ATOM 0 HD22 LEU A 601 -2.868 8.547 5.425 1.00 12.40 H new ATOM 0 HD23 LEU A 601 -4.301 9.472 4.916 1.00 12.40 H new ATOM 321 N GLY A 602 -3.024 11.833 9.653 1.00 40.34 N ATOM 322 CA GLY A 602 -3.729 11.870 10.851 1.00 32.14 C ATOM 323 C GLY A 602 -4.464 10.575 11.021 1.00 32.14 C ATOM 324 O GLY A 602 -5.662 10.547 11.247 1.00 75.24 O ATOM 0 H GLY A 602 -2.181 11.259 9.688 1.00 40.34 H new ATOM 0 HA2 GLY A 602 -3.046 12.028 11.686 1.00 32.14 H new ATOM 0 HA3 GLY A 602 -4.430 12.704 10.850 1.00 32.14 H new ATOM 328 N VAL A 603 -3.751 9.488 10.828 1.00 72.24 N ATOM 329 CA VAL A 603 -4.282 8.169 11.047 1.00 70.32 C ATOM 330 C VAL A 603 -3.215 7.376 11.767 1.00 2.53 C ATOM 331 O VAL A 603 -2.045 7.681 11.670 1.00 3.44 O ATOM 332 CB VAL A 603 -4.583 7.415 9.702 1.00 52.45 C ATOM 333 CG1 VAL A 603 -5.367 6.146 9.934 1.00 22.41 C ATOM 334 CG2 VAL A 603 -5.255 8.292 8.683 1.00 12.04 C ATOM 0 H VAL A 603 -2.781 9.499 10.513 1.00 72.24 H new ATOM 0 HA VAL A 603 -5.212 8.261 11.607 1.00 70.32 H new ATOM 0 HB VAL A 603 -3.614 7.136 9.287 1.00 52.45 H new ATOM 0 HG11 VAL A 603 -5.555 5.655 8.979 1.00 22.41 H new ATOM 0 HG12 VAL A 603 -4.796 5.479 10.580 1.00 22.41 H new ATOM 0 HG13 VAL A 603 -6.317 6.387 10.411 1.00 22.41 H new ATOM 0 HG21 VAL A 603 -5.439 7.719 7.774 1.00 12.04 H new ATOM 0 HG22 VAL A 603 -6.203 8.653 9.082 1.00 12.04 H new ATOM 0 HG23 VAL A 603 -4.611 9.141 8.453 1.00 12.04 H new ATOM 344 N SER A 604 -3.601 6.413 12.501 1.00 41.35 N ATOM 345 CA SER A 604 -2.671 5.526 13.075 1.00 14.53 C ATOM 346 C SER A 604 -2.911 4.165 12.492 1.00 30.33 C ATOM 347 O SER A 604 -4.073 3.732 12.359 1.00 40.42 O ATOM 348 CB SER A 604 -2.822 5.491 14.585 1.00 32.20 C ATOM 349 OG SER A 604 -2.701 6.794 15.124 1.00 12.10 O ATOM 0 H SER A 604 -4.576 6.214 12.724 1.00 41.35 H new ATOM 0 HA SER A 604 -1.656 5.857 12.856 1.00 14.53 H new ATOM 0 HB2 SER A 604 -3.792 5.070 14.850 1.00 32.20 H new ATOM 0 HB3 SER A 604 -2.063 4.840 15.018 1.00 32.20 H new ATOM 0 HG SER A 604 -2.802 6.756 16.098 1.00 12.10 H new ATOM 355 N VAL A 605 -1.865 3.513 12.124 1.00 22.04 N ATOM 356 CA VAL A 605 -1.929 2.184 11.609 1.00 63.31 C ATOM 357 C VAL A 605 -1.043 1.258 12.391 1.00 55.42 C ATOM 358 O VAL A 605 -0.192 1.700 13.149 1.00 71.13 O ATOM 359 CB VAL A 605 -1.542 2.079 10.134 1.00 73.23 C ATOM 360 CG1 VAL A 605 -2.610 2.646 9.223 1.00 32.24 C ATOM 361 CG2 VAL A 605 -0.206 2.750 9.851 1.00 41.51 C ATOM 0 H VAL A 605 -0.920 3.893 12.172 1.00 22.04 H new ATOM 0 HA VAL A 605 -2.975 1.894 11.707 1.00 63.31 H new ATOM 0 HB VAL A 605 -1.445 1.015 9.921 1.00 73.23 H new ATOM 0 HG11 VAL A 605 -2.291 2.550 8.185 1.00 32.24 H new ATOM 0 HG12 VAL A 605 -3.541 2.098 9.369 1.00 32.24 H new ATOM 0 HG13 VAL A 605 -2.767 3.699 9.458 1.00 32.24 H new ATOM 0 HG21 VAL A 605 0.033 2.653 8.792 1.00 41.51 H new ATOM 0 HG22 VAL A 605 -0.266 3.806 10.114 1.00 41.51 H new ATOM 0 HG23 VAL A 605 0.574 2.272 10.444 1.00 41.51 H new ATOM 371 N LYS A 606 -1.254 -0.002 12.215 1.00 54.44 N ATOM 372 CA LYS A 606 -0.460 -1.024 12.859 1.00 43.25 C ATOM 373 C LYS A 606 -0.384 -2.256 12.001 1.00 0.41 C ATOM 374 O LYS A 606 -1.276 -2.514 11.205 1.00 4.14 O ATOM 375 CB LYS A 606 -0.947 -1.377 14.262 1.00 3.12 C ATOM 376 CG LYS A 606 -2.315 -2.017 14.357 1.00 3.10 C ATOM 377 CD LYS A 606 -2.587 -2.415 15.791 1.00 64.10 C ATOM 378 CE LYS A 606 -3.930 -3.098 15.958 1.00 52.11 C ATOM 379 NZ LYS A 606 -4.163 -3.500 17.365 1.00 43.44 N ATOM 0 H LYS A 606 -1.991 -0.369 11.613 1.00 54.44 H new ATOM 0 HA LYS A 606 0.539 -0.604 12.978 1.00 43.25 H new ATOM 0 HB2 LYS A 606 -0.222 -2.052 14.716 1.00 3.12 H new ATOM 0 HB3 LYS A 606 -0.953 -0.466 14.861 1.00 3.12 H new ATOM 0 HG2 LYS A 606 -3.079 -1.321 14.010 1.00 3.10 H new ATOM 0 HG3 LYS A 606 -2.364 -2.893 13.710 1.00 3.10 H new ATOM 0 HD2 LYS A 606 -1.798 -3.083 16.135 1.00 64.10 H new ATOM 0 HD3 LYS A 606 -2.553 -1.528 16.424 1.00 64.10 H new ATOM 0 HE2 LYS A 606 -4.724 -2.425 15.634 1.00 52.11 H new ATOM 0 HE3 LYS A 606 -3.975 -3.977 15.315 1.00 52.11 H new ATOM 0 HZ1 LYS A 606 -5.090 -3.964 17.444 1.00 43.44 H new ATOM 0 HZ2 LYS A 606 -3.418 -4.161 17.665 1.00 43.44 H new ATOM 0 HZ3 LYS A 606 -4.144 -2.657 17.974 1.00 43.44 H new ATOM 393 N GLY A 607 0.665 -2.998 12.145 1.00 13.43 N ATOM 394 CA GLY A 607 0.825 -4.186 11.351 1.00 1.23 C ATOM 395 C GLY A 607 0.609 -5.430 12.153 1.00 42.44 C ATOM 396 O GLY A 607 1.127 -5.553 13.267 1.00 22.31 O ATOM 0 H GLY A 607 1.424 -2.810 12.800 1.00 13.43 H new ATOM 0 HA2 GLY A 607 0.120 -4.164 10.520 1.00 1.23 H new ATOM 0 HA3 GLY A 607 1.826 -4.202 10.920 1.00 1.23 H new ATOM 400 N ASN A 608 -0.145 -6.351 11.604 1.00 12.32 N ATOM 401 CA ASN A 608 -0.442 -7.595 12.290 1.00 64.43 C ATOM 402 C ASN A 608 0.214 -8.738 11.546 1.00 20.22 C ATOM 403 O ASN A 608 0.324 -8.706 10.306 1.00 32.24 O ATOM 404 CB ASN A 608 -1.961 -7.830 12.385 1.00 52.20 C ATOM 405 CG ASN A 608 -2.352 -9.065 13.223 1.00 14.51 C ATOM 406 OD1 ASN A 608 -3.358 -9.714 12.951 1.00 11.23 O ATOM 407 ND2 ASN A 608 -1.605 -9.359 14.268 1.00 4.23 N ATOM 0 H ASN A 608 -0.568 -6.266 10.680 1.00 12.32 H new ATOM 0 HA ASN A 608 -0.050 -7.538 13.306 1.00 64.43 H new ATOM 0 HB2 ASN A 608 -2.429 -6.946 12.819 1.00 52.20 H new ATOM 0 HB3 ASN A 608 -2.365 -7.943 11.379 1.00 52.20 H new ATOM 0 HD21 ASN A 608 -1.858 -10.141 14.872 1.00 4.23 H new ATOM 0 HD22 ASN A 608 -0.774 -8.805 14.473 1.00 4.23 H new ATOM 414 N ARG A 609 0.674 -9.718 12.272 1.00 2.44 N ATOM 415 CA ARG A 609 1.316 -10.848 11.695 1.00 12.21 C ATOM 416 C ARG A 609 0.800 -12.124 12.308 1.00 25.13 C ATOM 417 O ARG A 609 0.741 -12.250 13.521 1.00 21.20 O ATOM 418 CB ARG A 609 2.845 -10.742 11.806 1.00 30.02 C ATOM 419 CG ARG A 609 3.588 -11.914 11.186 1.00 62.33 C ATOM 420 CD ARG A 609 5.086 -11.688 11.159 1.00 71.23 C ATOM 421 NE ARG A 609 5.765 -12.791 10.481 1.00 42.21 N ATOM 422 CZ ARG A 609 6.800 -12.668 9.632 1.00 75.11 C ATOM 423 NH1 ARG A 609 7.295 -11.467 9.344 1.00 71.21 N ATOM 424 NH2 ARG A 609 7.324 -13.756 9.067 1.00 50.00 N ATOM 0 H ARG A 609 0.609 -9.748 13.290 1.00 2.44 H new ATOM 0 HA ARG A 609 1.075 -10.868 10.632 1.00 12.21 H new ATOM 0 HB2 ARG A 609 3.172 -9.821 11.324 1.00 30.02 H new ATOM 0 HB3 ARG A 609 3.119 -10.666 12.858 1.00 30.02 H new ATOM 0 HG2 ARG A 609 3.369 -12.821 11.749 1.00 62.33 H new ATOM 0 HG3 ARG A 609 3.228 -12.075 10.170 1.00 62.33 H new ATOM 0 HD2 ARG A 609 5.308 -10.750 10.649 1.00 71.23 H new ATOM 0 HD3 ARG A 609 5.463 -11.594 12.178 1.00 71.23 H new ATOM 0 HE ARG A 609 5.424 -13.734 10.668 1.00 42.21 H new ATOM 0 HH11 ARG A 609 6.889 -10.633 9.768 1.00 71.21 H new ATOM 0 HH12 ARG A 609 8.080 -11.380 8.699 1.00 71.21 H new ATOM 0 HH21 ARG A 609 6.939 -14.677 9.280 1.00 50.00 H new ATOM 0 HH22 ARG A 609 8.109 -13.668 8.422 1.00 50.00 H new ATOM 438 N SER A 610 0.404 -13.037 11.477 1.00 42.44 N ATOM 439 CA SER A 610 -0.038 -14.332 11.923 1.00 51.32 C ATOM 440 C SER A 610 1.189 -15.190 12.259 1.00 70.31 C ATOM 441 O SER A 610 2.057 -15.388 11.417 1.00 31.34 O ATOM 442 CB SER A 610 -0.866 -14.970 10.824 1.00 2.12 C ATOM 443 OG SER A 610 -1.996 -14.185 10.527 1.00 53.53 O ATOM 0 H SER A 610 0.376 -12.910 10.465 1.00 42.44 H new ATOM 0 HA SER A 610 -0.654 -14.244 12.818 1.00 51.32 H new ATOM 0 HB2 SER A 610 -0.257 -15.092 9.928 1.00 2.12 H new ATOM 0 HB3 SER A 610 -1.181 -15.967 11.133 1.00 2.12 H new ATOM 0 HG SER A 610 -2.724 -14.763 10.218 1.00 53.53 H new ATOM 518 N ALA A 615 3.039 -15.687 8.502 1.00 72.33 N ATOM 519 CA ALA A 615 2.987 -14.677 7.467 1.00 23.04 C ATOM 520 C ALA A 615 2.248 -13.485 8.007 1.00 1.10 C ATOM 521 O ALA A 615 1.355 -13.643 8.847 1.00 72.32 O ATOM 522 CB ALA A 615 2.271 -15.227 6.240 1.00 53.21 C ATOM 0 HA ALA A 615 3.996 -14.387 7.174 1.00 23.04 H new ATOM 0 HB1 ALA A 615 2.236 -14.461 5.465 1.00 53.21 H new ATOM 0 HB2 ALA A 615 2.809 -16.098 5.865 1.00 53.21 H new ATOM 0 HB3 ALA A 615 1.255 -15.516 6.511 1.00 53.21 H new ATOM 528 N ASP A 616 2.592 -12.301 7.564 1.00 40.12 N ATOM 529 CA ASP A 616 1.935 -11.133 8.086 1.00 12.42 C ATOM 530 C ASP A 616 0.695 -10.796 7.325 1.00 54.01 C ATOM 531 O ASP A 616 0.544 -11.149 6.156 1.00 55.42 O ATOM 532 CB ASP A 616 2.848 -9.918 8.264 1.00 53.23 C ATOM 533 CG ASP A 616 3.387 -9.325 7.005 1.00 64.03 C ATOM 534 OD1 ASP A 616 2.670 -8.560 6.361 1.00 52.51 O ATOM 535 OD2 ASP A 616 4.564 -9.570 6.686 1.00 72.32 O ATOM 0 H ASP A 616 3.307 -12.124 6.859 1.00 40.12 H new ATOM 0 HA ASP A 616 1.637 -11.410 9.097 1.00 12.42 H new ATOM 0 HB2 ASP A 616 2.295 -9.146 8.800 1.00 53.23 H new ATOM 0 HB3 ASP A 616 3.687 -10.207 8.897 1.00 53.23 H new ATOM 540 N LEU A 617 -0.208 -10.127 7.994 1.00 31.43 N ATOM 541 CA LEU A 617 -1.489 -9.794 7.425 1.00 32.52 C ATOM 542 C LEU A 617 -1.462 -8.414 6.808 1.00 14.02 C ATOM 543 O LEU A 617 -2.416 -7.989 6.161 1.00 65.04 O ATOM 544 CB LEU A 617 -2.576 -9.882 8.496 1.00 2.20 C ATOM 545 CG LEU A 617 -2.756 -11.245 9.165 1.00 12.02 C ATOM 546 CD1 LEU A 617 -3.911 -11.200 10.149 1.00 43.44 C ATOM 547 CD2 LEU A 617 -2.979 -12.336 8.123 1.00 52.34 C ATOM 0 H LEU A 617 -0.076 -9.797 8.950 1.00 31.43 H new ATOM 0 HA LEU A 617 -1.714 -10.511 6.635 1.00 32.52 H new ATOM 0 HB2 LEU A 617 -2.355 -9.147 9.270 1.00 2.20 H new ATOM 0 HB3 LEU A 617 -3.525 -9.594 8.045 1.00 2.20 H new ATOM 0 HG LEU A 617 -1.843 -11.483 9.711 1.00 12.02 H new ATOM 0 HD11 LEU A 617 -4.028 -12.177 10.618 1.00 43.44 H new ATOM 0 HD12 LEU A 617 -3.707 -10.452 10.915 1.00 43.44 H new ATOM 0 HD13 LEU A 617 -4.828 -10.939 9.622 1.00 43.44 H new ATOM 0 HD21 LEU A 617 -3.104 -13.296 8.623 1.00 52.34 H new ATOM 0 HD22 LEU A 617 -3.874 -12.109 7.544 1.00 52.34 H new ATOM 0 HD23 LEU A 617 -2.118 -12.384 7.456 1.00 52.34 H new ATOM 559 N GLY A 618 -0.367 -7.731 6.994 1.00 25.43 N ATOM 560 CA GLY A 618 -0.229 -6.407 6.441 1.00 50.13 C ATOM 561 C GLY A 618 -0.404 -5.315 7.478 1.00 70.11 C ATOM 562 O GLY A 618 -0.177 -5.540 8.675 1.00 25.33 O ATOM 0 H GLY A 618 0.440 -8.064 7.521 1.00 25.43 H new ATOM 0 HA2 GLY A 618 0.755 -6.311 5.982 1.00 50.13 H new ATOM 0 HA3 GLY A 618 -0.965 -6.271 5.649 1.00 50.13 H new ATOM 566 N ILE A 619 -0.813 -4.145 7.020 1.00 13.15 N ATOM 567 CA ILE A 619 -0.962 -2.973 7.862 1.00 60.24 C ATOM 568 C ILE A 619 -2.437 -2.583 7.926 1.00 23.13 C ATOM 569 O ILE A 619 -3.078 -2.402 6.893 1.00 34.12 O ATOM 570 CB ILE A 619 -0.148 -1.773 7.286 1.00 75.12 C ATOM 571 CG1 ILE A 619 1.338 -2.134 7.112 1.00 41.34 C ATOM 572 CG2 ILE A 619 -0.293 -0.540 8.163 1.00 30.33 C ATOM 573 CD1 ILE A 619 2.050 -2.526 8.392 1.00 50.22 C ATOM 0 H ILE A 619 -1.053 -3.981 6.042 1.00 13.15 H new ATOM 0 HA ILE A 619 -0.587 -3.211 8.858 1.00 60.24 H new ATOM 0 HB ILE A 619 -0.559 -1.546 6.302 1.00 75.12 H new ATOM 0 HG12 ILE A 619 1.417 -2.957 6.402 1.00 41.34 H new ATOM 0 HG13 ILE A 619 1.855 -1.282 6.671 1.00 41.34 H new ATOM 0 HG21 ILE A 619 0.285 0.280 7.737 1.00 30.33 H new ATOM 0 HG22 ILE A 619 -1.343 -0.254 8.217 1.00 30.33 H new ATOM 0 HG23 ILE A 619 0.075 -0.761 9.165 1.00 30.33 H new ATOM 0 HD11 ILE A 619 3.091 -2.763 8.171 1.00 50.22 H new ATOM 0 HD12 ILE A 619 2.008 -1.698 9.100 1.00 50.22 H new ATOM 0 HD13 ILE A 619 1.563 -3.399 8.826 1.00 50.22 H new ATOM 585 N PHE A 620 -2.949 -2.449 9.122 1.00 13.13 N ATOM 586 CA PHE A 620 -4.345 -2.136 9.347 1.00 24.35 C ATOM 587 C PHE A 620 -4.472 -0.826 10.088 1.00 65.31 C ATOM 588 O PHE A 620 -3.593 -0.466 10.879 1.00 24.14 O ATOM 589 CB PHE A 620 -4.998 -3.229 10.195 1.00 60.24 C ATOM 590 CG PHE A 620 -4.964 -4.594 9.592 1.00 73.43 C ATOM 591 CD1 PHE A 620 -3.854 -5.415 9.755 1.00 34.01 C ATOM 592 CD2 PHE A 620 -6.042 -5.066 8.866 1.00 71.25 C ATOM 593 CE1 PHE A 620 -3.829 -6.670 9.201 1.00 11.13 C ATOM 594 CE2 PHE A 620 -6.022 -6.326 8.315 1.00 25.30 C ATOM 595 CZ PHE A 620 -4.917 -7.127 8.480 1.00 41.41 C ATOM 0 H PHE A 620 -2.406 -2.554 9.979 1.00 13.13 H new ATOM 0 HA PHE A 620 -4.839 -2.067 8.378 1.00 24.35 H new ATOM 0 HB2 PHE A 620 -4.501 -3.263 11.164 1.00 60.24 H new ATOM 0 HB3 PHE A 620 -6.037 -2.954 10.379 1.00 60.24 H new ATOM 0 HD1 PHE A 620 -3.005 -5.062 10.322 1.00 34.01 H new ATOM 0 HD2 PHE A 620 -6.910 -4.438 8.730 1.00 71.25 H new ATOM 0 HE1 PHE A 620 -2.961 -7.300 9.328 1.00 11.13 H new ATOM 0 HE2 PHE A 620 -6.872 -6.685 7.754 1.00 25.30 H new ATOM 0 HZ PHE A 620 -4.899 -8.116 8.046 1.00 41.41 H new ATOM 605 N VAL A 621 -5.541 -0.116 9.834 1.00 43.44 N ATOM 606 CA VAL A 621 -5.837 1.107 10.551 1.00 34.51 C ATOM 607 C VAL A 621 -6.230 0.774 11.992 1.00 20.44 C ATOM 608 O VAL A 621 -6.890 -0.204 12.241 1.00 24.30 O ATOM 609 CB VAL A 621 -6.977 1.907 9.861 1.00 52.41 C ATOM 610 CG1 VAL A 621 -7.286 3.180 10.612 1.00 74.43 C ATOM 611 CG2 VAL A 621 -6.603 2.236 8.439 1.00 70.24 C ATOM 0 H VAL A 621 -6.232 -0.365 9.127 1.00 43.44 H new ATOM 0 HA VAL A 621 -4.943 1.730 10.548 1.00 34.51 H new ATOM 0 HB VAL A 621 -7.868 1.280 9.864 1.00 52.41 H new ATOM 0 HG11 VAL A 621 -8.087 3.717 10.104 1.00 74.43 H new ATOM 0 HG12 VAL A 621 -7.599 2.937 11.627 1.00 74.43 H new ATOM 0 HG13 VAL A 621 -6.395 3.807 10.647 1.00 74.43 H new ATOM 0 HG21 VAL A 621 -7.412 2.796 7.970 1.00 70.24 H new ATOM 0 HG22 VAL A 621 -5.694 2.837 8.432 1.00 70.24 H new ATOM 0 HG23 VAL A 621 -6.432 1.313 7.885 1.00 70.24 H new ATOM 621 N LYS A 622 -5.781 1.551 12.919 1.00 31.12 N ATOM 622 CA LYS A 622 -6.131 1.344 14.314 1.00 1.35 C ATOM 623 C LYS A 622 -6.951 2.506 14.853 1.00 3.14 C ATOM 624 O LYS A 622 -7.932 2.306 15.550 1.00 22.11 O ATOM 625 CB LYS A 622 -4.871 1.103 15.157 1.00 63.03 C ATOM 626 CG LYS A 622 -3.787 2.089 14.838 1.00 32.22 C ATOM 627 CD LYS A 622 -2.523 1.957 15.647 1.00 40.52 C ATOM 628 CE LYS A 622 -2.637 2.580 17.059 1.00 61.35 C ATOM 629 NZ LYS A 622 -3.583 1.877 17.969 1.00 25.53 N ATOM 0 H LYS A 622 -5.165 2.346 12.750 1.00 31.12 H new ATOM 0 HA LYS A 622 -6.753 0.452 14.381 1.00 1.35 H new ATOM 0 HB2 LYS A 622 -5.124 1.171 16.215 1.00 63.03 H new ATOM 0 HB3 LYS A 622 -4.505 0.092 14.981 1.00 63.03 H new ATOM 0 HG2 LYS A 622 -3.532 1.992 13.783 1.00 32.22 H new ATOM 0 HG3 LYS A 622 -4.183 3.095 14.979 1.00 32.22 H new ATOM 0 HD2 LYS A 622 -2.268 0.901 15.742 1.00 40.52 H new ATOM 0 HD3 LYS A 622 -1.704 2.436 15.110 1.00 40.52 H new ATOM 0 HE2 LYS A 622 -1.649 2.589 17.519 1.00 61.35 H new ATOM 0 HE3 LYS A 622 -2.952 3.619 16.960 1.00 61.35 H new ATOM 0 HZ1 LYS A 622 -3.253 1.969 18.951 1.00 25.53 H new ATOM 0 HZ2 LYS A 622 -4.529 2.300 17.881 1.00 25.53 H new ATOM 0 HZ3 LYS A 622 -3.629 0.870 17.712 1.00 25.53 H new ATOM 643 N SER A 623 -6.563 3.711 14.520 1.00 12.01 N ATOM 644 CA SER A 623 -7.256 4.873 14.999 1.00 13.23 C ATOM 645 C SER A 623 -7.159 5.982 13.972 1.00 24.21 C ATOM 646 O SER A 623 -6.116 6.152 13.344 1.00 21.43 O ATOM 647 CB SER A 623 -6.653 5.322 16.346 1.00 21.13 C ATOM 648 OG SER A 623 -7.334 6.441 16.887 1.00 62.01 O ATOM 0 H SER A 623 -5.766 3.910 13.915 1.00 12.01 H new ATOM 0 HA SER A 623 -8.308 4.633 15.154 1.00 13.23 H new ATOM 0 HB2 SER A 623 -6.694 4.495 17.055 1.00 21.13 H new ATOM 0 HB3 SER A 623 -5.601 5.571 16.207 1.00 21.13 H new ATOM 0 HG SER A 623 -6.923 6.693 17.740 1.00 62.01 H new ATOM 654 N ILE A 624 -8.236 6.687 13.759 1.00 4.31 N ATOM 655 CA ILE A 624 -8.234 7.831 12.894 1.00 1.32 C ATOM 656 C ILE A 624 -8.098 9.074 13.745 1.00 11.20 C ATOM 657 O ILE A 624 -8.846 9.262 14.704 1.00 51.41 O ATOM 658 CB ILE A 624 -9.521 7.927 11.994 1.00 71.44 C ATOM 659 CG1 ILE A 624 -9.593 6.780 10.979 1.00 43.24 C ATOM 660 CG2 ILE A 624 -9.593 9.256 11.267 1.00 54.21 C ATOM 661 CD1 ILE A 624 -9.825 5.415 11.541 1.00 22.04 C ATOM 0 H ILE A 624 -9.141 6.483 14.182 1.00 4.31 H new ATOM 0 HA ILE A 624 -7.392 7.733 12.209 1.00 1.32 H new ATOM 0 HB ILE A 624 -10.375 7.848 12.666 1.00 71.44 H new ATOM 0 HG12 ILE A 624 -10.392 6.999 10.271 1.00 43.24 H new ATOM 0 HG13 ILE A 624 -8.661 6.764 10.414 1.00 43.24 H new ATOM 0 HG21 ILE A 624 -10.494 9.288 10.655 1.00 54.21 H new ATOM 0 HG22 ILE A 624 -9.620 10.068 11.994 1.00 54.21 H new ATOM 0 HG23 ILE A 624 -8.717 9.369 10.629 1.00 54.21 H new ATOM 0 HD11 ILE A 624 -9.857 4.688 10.729 1.00 22.04 H new ATOM 0 HD12 ILE A 624 -9.015 5.161 12.225 1.00 22.04 H new ATOM 0 HD13 ILE A 624 -10.773 5.399 12.079 1.00 22.04 H new ATOM 673 N ILE A 625 -7.160 9.901 13.408 1.00 3.02 N ATOM 674 CA ILE A 625 -6.903 11.107 14.170 1.00 3.33 C ATOM 675 C ILE A 625 -7.775 12.232 13.647 1.00 24.13 C ATOM 676 O ILE A 625 -7.619 12.686 12.505 1.00 43.41 O ATOM 677 CB ILE A 625 -5.404 11.533 14.105 1.00 35.20 C ATOM 678 CG1 ILE A 625 -4.503 10.416 14.654 1.00 2.04 C ATOM 679 CG2 ILE A 625 -5.177 12.834 14.880 1.00 23.24 C ATOM 680 CD1 ILE A 625 -3.021 10.722 14.554 1.00 31.24 C ATOM 0 H ILE A 625 -6.547 9.771 12.603 1.00 3.02 H new ATOM 0 HA ILE A 625 -7.142 10.898 15.213 1.00 3.33 H new ATOM 0 HB ILE A 625 -5.143 11.707 13.061 1.00 35.20 H new ATOM 0 HG12 ILE A 625 -4.758 10.236 15.698 1.00 2.04 H new ATOM 0 HG13 ILE A 625 -4.712 9.494 14.112 1.00 2.04 H new ATOM 0 HG21 ILE A 625 -4.125 13.113 14.822 1.00 23.24 H new ATOM 0 HG22 ILE A 625 -5.787 13.627 14.447 1.00 23.24 H new ATOM 0 HG23 ILE A 625 -5.457 12.689 15.923 1.00 23.24 H new ATOM 0 HD11 ILE A 625 -2.449 9.888 14.961 1.00 31.24 H new ATOM 0 HD12 ILE A 625 -2.750 10.872 13.509 1.00 31.24 H new ATOM 0 HD13 ILE A 625 -2.797 11.626 15.120 1.00 31.24 H new ATOM 692 N ASN A 626 -8.691 12.665 14.470 1.00 32.10 N ATOM 693 CA ASN A 626 -9.584 13.741 14.122 1.00 34.03 C ATOM 694 C ASN A 626 -8.807 15.039 14.070 1.00 11.34 C ATOM 695 O ASN A 626 -8.125 15.412 15.032 1.00 55.52 O ATOM 696 CB ASN A 626 -10.746 13.826 15.125 1.00 44.20 C ATOM 697 CG ASN A 626 -11.714 14.966 14.837 1.00 45.14 C ATOM 698 OD1 ASN A 626 -11.890 15.387 13.689 1.00 44.52 O ATOM 699 ND2 ASN A 626 -12.353 15.457 15.868 1.00 12.34 N ATOM 0 H ASN A 626 -8.841 12.282 15.403 1.00 32.10 H new ATOM 0 HA ASN A 626 -10.015 13.551 13.139 1.00 34.03 H new ATOM 0 HB2 ASN A 626 -11.294 12.884 15.115 1.00 44.20 H new ATOM 0 HB3 ASN A 626 -10.341 13.949 16.129 1.00 44.20 H new ATOM 0 HD21 ASN A 626 -13.024 16.214 15.739 1.00 12.34 H new ATOM 0 HD22 ASN A 626 -12.180 15.082 16.801 1.00 12.34 H new ATOM 706 N GLY A 627 -8.875 15.693 12.949 1.00 72.40 N ATOM 707 CA GLY A 627 -8.151 16.919 12.768 1.00 33.41 C ATOM 708 C GLY A 627 -7.305 16.855 11.536 1.00 2.22 C ATOM 709 O GLY A 627 -6.933 17.879 10.976 1.00 24.44 O ATOM 0 H GLY A 627 -9.426 15.398 12.143 1.00 72.40 H new ATOM 0 HA2 GLY A 627 -8.850 17.752 12.693 1.00 33.41 H new ATOM 0 HA3 GLY A 627 -7.522 17.108 13.638 1.00 33.41 H new ATOM 713 N GLY A 628 -6.993 15.646 11.117 1.00 61.22 N ATOM 714 CA GLY A 628 -6.233 15.464 9.912 1.00 44.15 C ATOM 715 C GLY A 628 -7.155 15.387 8.722 1.00 75.45 C ATOM 716 O GLY A 628 -8.351 15.163 8.879 1.00 72.51 O ATOM 0 H GLY A 628 -7.255 14.784 11.594 1.00 61.22 H new ATOM 0 HA2 GLY A 628 -5.533 16.290 9.786 1.00 44.15 H new ATOM 0 HA3 GLY A 628 -5.640 14.552 9.982 1.00 44.15 H new ATOM 720 N ALA A 629 -6.634 15.542 7.541 1.00 32.12 N ATOM 721 CA ALA A 629 -7.472 15.503 6.348 1.00 1.20 C ATOM 722 C ALA A 629 -8.018 14.114 6.121 1.00 64.12 C ATOM 723 O ALA A 629 -9.097 13.946 5.579 1.00 11.04 O ATOM 724 CB ALA A 629 -6.740 16.016 5.130 1.00 53.41 C ATOM 0 H ALA A 629 -5.641 15.696 7.364 1.00 32.12 H new ATOM 0 HA ALA A 629 -8.315 16.173 6.516 1.00 1.20 H new ATOM 0 HB1 ALA A 629 -7.399 15.970 4.263 1.00 53.41 H new ATOM 0 HB2 ALA A 629 -6.433 17.048 5.298 1.00 53.41 H new ATOM 0 HB3 ALA A 629 -5.859 15.400 4.949 1.00 53.41 H new ATOM 730 N ALA A 630 -7.270 13.116 6.564 1.00 73.14 N ATOM 731 CA ALA A 630 -7.676 11.741 6.461 1.00 61.23 C ATOM 732 C ALA A 630 -8.883 11.470 7.318 1.00 33.14 C ATOM 733 O ALA A 630 -9.619 10.527 7.080 1.00 71.44 O ATOM 734 CB ALA A 630 -6.552 10.820 6.800 1.00 41.45 C ATOM 0 H ALA A 630 -6.360 13.248 7.006 1.00 73.14 H new ATOM 0 HA ALA A 630 -7.955 11.551 5.425 1.00 61.23 H new ATOM 0 HB1 ALA A 630 -6.889 9.787 6.713 1.00 41.45 H new ATOM 0 HB2 ALA A 630 -5.723 10.990 6.113 1.00 41.45 H new ATOM 0 HB3 ALA A 630 -6.222 11.009 7.821 1.00 41.45 H new ATOM 740 N SER A 631 -9.073 12.266 8.331 1.00 43.32 N ATOM 741 CA SER A 631 -10.241 12.067 9.154 1.00 22.21 C ATOM 742 C SER A 631 -11.492 12.522 8.399 1.00 31.02 C ATOM 743 O SER A 631 -12.447 11.752 8.246 1.00 70.54 O ATOM 744 CB SER A 631 -10.127 12.710 10.572 1.00 33.43 C ATOM 745 OG SER A 631 -9.982 14.125 10.551 1.00 13.31 O ATOM 0 H SER A 631 -8.461 13.035 8.605 1.00 43.32 H new ATOM 0 HA SER A 631 -10.323 10.998 9.350 1.00 22.21 H new ATOM 0 HB2 SER A 631 -11.015 12.454 11.149 1.00 33.43 H new ATOM 0 HB3 SER A 631 -9.273 12.274 11.091 1.00 33.43 H new ATOM 0 HG SER A 631 -9.352 14.379 9.845 1.00 13.31 H new ATOM 751 N LYS A 632 -11.465 13.746 7.891 1.00 53.34 N ATOM 752 CA LYS A 632 -12.596 14.277 7.167 1.00 15.40 C ATOM 753 C LYS A 632 -12.767 13.730 5.724 1.00 41.43 C ATOM 754 O LYS A 632 -13.855 13.294 5.354 1.00 24.24 O ATOM 755 CB LYS A 632 -12.762 15.817 7.366 1.00 21.03 C ATOM 756 CG LYS A 632 -11.515 16.697 7.129 1.00 44.53 C ATOM 757 CD LYS A 632 -11.211 16.968 5.667 1.00 45.41 C ATOM 758 CE LYS A 632 -12.326 17.782 5.011 1.00 2.01 C ATOM 759 NZ LYS A 632 -11.989 18.170 3.629 1.00 22.50 N ATOM 0 H LYS A 632 -10.672 14.383 7.970 1.00 53.34 H new ATOM 0 HA LYS A 632 -13.485 13.859 7.639 1.00 15.40 H new ATOM 0 HB2 LYS A 632 -13.551 16.161 6.697 1.00 21.03 H new ATOM 0 HB3 LYS A 632 -13.110 15.991 8.384 1.00 21.03 H new ATOM 0 HG2 LYS A 632 -11.654 17.649 7.642 1.00 44.53 H new ATOM 0 HG3 LYS A 632 -10.651 16.213 7.584 1.00 44.53 H new ATOM 0 HD2 LYS A 632 -10.267 17.506 5.583 1.00 45.41 H new ATOM 0 HD3 LYS A 632 -11.087 16.023 5.138 1.00 45.41 H new ATOM 0 HE2 LYS A 632 -13.247 17.199 5.009 1.00 2.01 H new ATOM 0 HE3 LYS A 632 -12.517 18.678 5.602 1.00 2.01 H new ATOM 0 HZ1 LYS A 632 -12.814 18.017 3.014 1.00 22.50 H new ATOM 0 HZ2 LYS A 632 -11.722 19.175 3.606 1.00 22.50 H new ATOM 0 HZ3 LYS A 632 -11.193 17.592 3.290 1.00 22.50 H new ATOM 773 N ASP A 633 -11.705 13.749 4.926 1.00 44.02 N ATOM 774 CA ASP A 633 -11.752 13.183 3.563 1.00 55.14 C ATOM 775 C ASP A 633 -11.613 11.685 3.550 1.00 31.34 C ATOM 776 O ASP A 633 -12.274 10.993 2.774 1.00 25.21 O ATOM 777 CB ASP A 633 -10.719 13.798 2.615 1.00 43.41 C ATOM 778 CG ASP A 633 -11.096 15.154 2.111 1.00 63.31 C ATOM 779 OD1 ASP A 633 -11.865 15.240 1.119 1.00 2.10 O ATOM 780 OD2 ASP A 633 -10.639 16.148 2.663 1.00 63.33 O ATOM 0 H ASP A 633 -10.802 14.145 5.188 1.00 44.02 H new ATOM 0 HA ASP A 633 -12.745 13.445 3.196 1.00 55.14 H new ATOM 0 HB2 ASP A 633 -9.761 13.865 3.131 1.00 43.41 H new ATOM 0 HB3 ASP A 633 -10.577 13.131 1.765 1.00 43.41 H new ATOM 785 N GLY A 634 -10.743 11.180 4.400 1.00 4.30 N ATOM 786 CA GLY A 634 -10.444 9.765 4.392 1.00 65.04 C ATOM 787 C GLY A 634 -11.604 8.908 4.819 1.00 23.13 C ATOM 788 O GLY A 634 -11.867 7.913 4.189 1.00 74.32 O ATOM 0 H GLY A 634 -10.235 11.723 5.099 1.00 4.30 H new ATOM 0 HA2 GLY A 634 -10.135 9.472 3.389 1.00 65.04 H new ATOM 0 HA3 GLY A 634 -9.599 9.576 5.054 1.00 65.04 H new ATOM 792 N ARG A 635 -12.315 9.310 5.896 1.00 11.54 N ATOM 793 CA ARG A 635 -13.535 8.580 6.355 1.00 3.22 C ATOM 794 C ARG A 635 -13.225 7.099 6.664 1.00 51.41 C ATOM 795 O ARG A 635 -14.100 6.244 6.597 1.00 35.50 O ATOM 796 CB ARG A 635 -14.595 8.678 5.261 1.00 74.13 C ATOM 797 CG ARG A 635 -15.067 10.091 4.995 1.00 63.50 C ATOM 798 CD ARG A 635 -15.807 10.164 3.685 1.00 32.52 C ATOM 799 NE ARG A 635 -14.907 9.862 2.559 1.00 45.11 N ATOM 800 CZ ARG A 635 -15.295 9.465 1.338 1.00 21.24 C ATOM 801 NH1 ARG A 635 -16.575 9.230 1.086 1.00 41.45 N ATOM 802 NH2 ARG A 635 -14.393 9.297 0.379 1.00 50.32 N ATOM 0 H ARG A 635 -12.076 10.124 6.462 1.00 11.54 H new ATOM 0 HA ARG A 635 -13.897 9.035 7.277 1.00 3.22 H new ATOM 0 HB2 ARG A 635 -14.192 8.259 4.339 1.00 74.13 H new ATOM 0 HB3 ARG A 635 -15.452 8.065 5.542 1.00 74.13 H new ATOM 0 HG2 ARG A 635 -15.717 10.422 5.805 1.00 63.50 H new ATOM 0 HG3 ARG A 635 -14.213 10.768 4.975 1.00 63.50 H new ATOM 0 HD2 ARG A 635 -16.638 9.459 3.692 1.00 32.52 H new ATOM 0 HD3 ARG A 635 -16.234 11.159 3.558 1.00 32.52 H new ATOM 0 HE ARG A 635 -13.905 9.963 2.721 1.00 45.11 H new ATOM 0 HH11 ARG A 635 -17.270 9.351 1.822 1.00 41.45 H new ATOM 0 HH12 ARG A 635 -16.865 8.928 0.156 1.00 41.45 H new ATOM 0 HH21 ARG A 635 -13.406 9.470 0.571 1.00 50.32 H new ATOM 0 HH22 ARG A 635 -14.687 8.995 -0.550 1.00 50.32 H new ATOM 816 N LEU A 636 -11.981 6.845 7.027 1.00 11.42 N ATOM 817 CA LEU A 636 -11.471 5.496 7.331 1.00 15.23 C ATOM 818 C LEU A 636 -12.251 4.769 8.451 1.00 41.11 C ATOM 819 O LEU A 636 -12.946 5.395 9.273 1.00 40.00 O ATOM 820 CB LEU A 636 -9.973 5.555 7.583 1.00 30.00 C ATOM 821 CG LEU A 636 -9.130 5.911 6.352 1.00 73.22 C ATOM 822 CD1 LEU A 636 -7.728 6.291 6.762 1.00 63.22 C ATOM 823 CD2 LEU A 636 -9.066 4.724 5.402 1.00 42.11 C ATOM 0 H LEU A 636 -11.275 7.575 7.124 1.00 11.42 H new ATOM 0 HA LEU A 636 -11.644 4.874 6.453 1.00 15.23 H new ATOM 0 HB2 LEU A 636 -9.778 6.289 8.365 1.00 30.00 H new ATOM 0 HB3 LEU A 636 -9.644 4.588 7.965 1.00 30.00 H new ATOM 0 HG LEU A 636 -9.599 6.758 5.851 1.00 73.22 H new ATOM 0 HD11 LEU A 636 -7.145 6.540 5.876 1.00 63.22 H new ATOM 0 HD12 LEU A 636 -7.765 7.154 7.427 1.00 63.22 H new ATOM 0 HD13 LEU A 636 -7.261 5.453 7.280 1.00 63.22 H new ATOM 0 HD21 LEU A 636 -8.465 4.987 4.531 1.00 42.11 H new ATOM 0 HD22 LEU A 636 -8.613 3.874 5.912 1.00 42.11 H new ATOM 0 HD23 LEU A 636 -10.074 4.460 5.081 1.00 42.11 H new ATOM 835 N ARG A 637 -12.086 3.461 8.492 1.00 12.40 N ATOM 836 CA ARG A 637 -12.950 2.570 9.282 1.00 62.04 C ATOM 837 C ARG A 637 -12.411 2.101 10.644 1.00 43.00 C ATOM 838 O ARG A 637 -13.179 2.060 11.628 1.00 55.04 O ATOM 839 CB ARG A 637 -13.263 1.349 8.434 1.00 41.31 C ATOM 840 CG ARG A 637 -13.915 0.224 9.193 1.00 10.45 C ATOM 841 CD ARG A 637 -14.163 -0.957 8.312 1.00 12.32 C ATOM 842 NE ARG A 637 -15.138 -0.649 7.274 1.00 54.25 N ATOM 843 CZ ARG A 637 -16.325 -1.238 7.152 1.00 32.41 C ATOM 844 NH1 ARG A 637 -16.674 -2.250 7.954 1.00 2.40 N ATOM 845 NH2 ARG A 637 -17.167 -0.800 6.251 1.00 61.13 N ATOM 0 H ARG A 637 -11.350 2.974 7.981 1.00 12.40 H new ATOM 0 HA ARG A 637 -13.824 3.171 9.532 1.00 62.04 H new ATOM 0 HB2 ARG A 637 -13.917 1.647 7.615 1.00 41.31 H new ATOM 0 HB3 ARG A 637 -12.338 0.984 7.987 1.00 41.31 H new ATOM 0 HG2 ARG A 637 -13.279 -0.070 10.028 1.00 10.45 H new ATOM 0 HG3 ARG A 637 -14.858 0.568 9.617 1.00 10.45 H new ATOM 0 HD2 ARG A 637 -13.227 -1.273 7.852 1.00 12.32 H new ATOM 0 HD3 ARG A 637 -14.521 -1.793 8.913 1.00 12.32 H new ATOM 0 HE ARG A 637 -14.893 0.069 6.592 1.00 54.25 H new ATOM 0 HH11 ARG A 637 -16.027 -2.579 8.670 1.00 2.40 H new ATOM 0 HH12 ARG A 637 -17.587 -2.692 7.849 1.00 2.40 H new ATOM 0 HH21 ARG A 637 -16.910 -0.015 5.652 1.00 61.13 H new ATOM 0 HH22 ARG A 637 -18.080 -1.243 6.148 1.00 61.13 H new ATOM 859 N VAL A 638 -11.138 1.743 10.668 1.00 11.24 N ATOM 860 CA VAL A 638 -10.440 1.061 11.768 1.00 64.54 C ATOM 861 C VAL A 638 -10.451 -0.449 11.521 1.00 10.35 C ATOM 862 O VAL A 638 -11.495 -1.036 11.217 1.00 53.45 O ATOM 863 CB VAL A 638 -10.972 1.402 13.179 1.00 41.31 C ATOM 864 CG1 VAL A 638 -10.381 0.486 14.252 1.00 24.43 C ATOM 865 CG2 VAL A 638 -10.702 2.846 13.543 1.00 4.04 C ATOM 0 H VAL A 638 -10.519 1.927 9.878 1.00 11.24 H new ATOM 0 HA VAL A 638 -9.416 1.436 11.764 1.00 64.54 H new ATOM 0 HB VAL A 638 -12.050 1.242 13.144 1.00 41.31 H new ATOM 0 HG11 VAL A 638 -10.783 0.762 15.227 1.00 24.43 H new ATOM 0 HG12 VAL A 638 -10.643 -0.549 14.031 1.00 24.43 H new ATOM 0 HG13 VAL A 638 -9.296 0.592 14.263 1.00 24.43 H new ATOM 0 HG21 VAL A 638 -11.090 3.048 14.541 1.00 4.04 H new ATOM 0 HG22 VAL A 638 -9.628 3.031 13.527 1.00 4.04 H new ATOM 0 HG23 VAL A 638 -11.193 3.501 12.823 1.00 4.04 H new ATOM 875 N ASN A 639 -9.270 -1.041 11.613 1.00 20.31 N ATOM 876 CA ASN A 639 -8.991 -2.463 11.370 1.00 42.04 C ATOM 877 C ASN A 639 -9.087 -2.764 9.870 1.00 43.45 C ATOM 878 O ASN A 639 -9.098 -3.911 9.429 1.00 10.03 O ATOM 879 CB ASN A 639 -9.880 -3.403 12.239 1.00 51.31 C ATOM 880 CG ASN A 639 -9.423 -4.871 12.201 1.00 51.12 C ATOM 881 OD1 ASN A 639 -9.872 -5.663 11.375 1.00 54.23 O ATOM 882 ND2 ASN A 639 -8.540 -5.236 13.104 1.00 61.12 N ATOM 0 H ASN A 639 -8.431 -0.522 11.872 1.00 20.31 H new ATOM 0 HA ASN A 639 -7.969 -2.672 11.687 1.00 42.04 H new ATOM 0 HB2 ASN A 639 -9.869 -3.052 13.271 1.00 51.31 H new ATOM 0 HB3 ASN A 639 -10.911 -3.341 11.892 1.00 51.31 H new ATOM 0 HD21 ASN A 639 -8.208 -6.200 13.133 1.00 61.12 H new ATOM 0 HD22 ASN A 639 -8.186 -4.555 13.776 1.00 61.12 H new ATOM 889 N ASP A 640 -9.119 -1.712 9.082 1.00 14.52 N ATOM 890 CA ASP A 640 -9.136 -1.850 7.660 1.00 55.34 C ATOM 891 C ASP A 640 -7.725 -1.896 7.120 1.00 30.32 C ATOM 892 O ASP A 640 -6.826 -1.244 7.644 1.00 54.20 O ATOM 893 CB ASP A 640 -10.041 -0.808 6.970 1.00 4.23 C ATOM 894 CG ASP A 640 -9.733 0.644 7.282 1.00 14.52 C ATOM 895 OD1 ASP A 640 -9.798 1.031 8.470 1.00 1.43 O ATOM 896 OD2 ASP A 640 -9.530 1.418 6.345 1.00 51.32 O ATOM 0 H ASP A 640 -9.134 -0.748 9.415 1.00 14.52 H new ATOM 0 HA ASP A 640 -9.599 -2.806 7.414 1.00 55.34 H new ATOM 0 HB2 ASP A 640 -9.971 -0.951 5.892 1.00 4.23 H new ATOM 0 HB3 ASP A 640 -11.075 -1.009 7.252 1.00 4.23 H new ATOM 901 N GLN A 641 -7.548 -2.688 6.101 1.00 21.13 N ATOM 902 CA GLN A 641 -6.243 -3.032 5.557 1.00 54.50 C ATOM 903 C GLN A 641 -5.762 -2.036 4.510 1.00 35.04 C ATOM 904 O GLN A 641 -6.463 -1.752 3.553 1.00 22.32 O ATOM 905 CB GLN A 641 -6.328 -4.463 4.980 1.00 10.23 C ATOM 906 CG GLN A 641 -5.153 -4.918 4.128 1.00 50.12 C ATOM 907 CD GLN A 641 -3.822 -4.919 4.828 1.00 21.54 C ATOM 908 OE1 GLN A 641 -3.724 -5.132 6.022 1.00 32.14 O ATOM 909 NE2 GLN A 641 -2.788 -4.665 4.076 1.00 34.33 N ATOM 0 H GLN A 641 -8.322 -3.130 5.604 1.00 21.13 H new ATOM 0 HA GLN A 641 -5.503 -2.991 6.356 1.00 54.50 H new ATOM 0 HB2 GLN A 641 -6.439 -5.160 5.810 1.00 10.23 H new ATOM 0 HB3 GLN A 641 -7.235 -4.536 4.379 1.00 10.23 H new ATOM 0 HG2 GLN A 641 -5.356 -5.925 3.765 1.00 50.12 H new ATOM 0 HG3 GLN A 641 -5.086 -4.271 3.253 1.00 50.12 H new ATOM 0 HE21 GLN A 641 -2.913 -4.492 3.079 1.00 34.33 H new ATOM 0 HE22 GLN A 641 -1.854 -4.639 4.485 1.00 34.33 H new ATOM 918 N LEU A 642 -4.557 -1.530 4.701 1.00 31.11 N ATOM 919 CA LEU A 642 -3.945 -0.601 3.767 1.00 72.14 C ATOM 920 C LEU A 642 -3.326 -1.352 2.603 1.00 14.31 C ATOM 921 O LEU A 642 -2.418 -2.164 2.776 1.00 51.33 O ATOM 922 CB LEU A 642 -2.916 0.344 4.443 1.00 64.12 C ATOM 923 CG LEU A 642 -3.441 1.420 5.390 1.00 42.03 C ATOM 924 CD1 LEU A 642 -4.094 0.805 6.604 1.00 25.42 C ATOM 925 CD2 LEU A 642 -2.312 2.335 5.807 1.00 15.52 C ATOM 0 H LEU A 642 -3.974 -1.751 5.508 1.00 31.11 H new ATOM 0 HA LEU A 642 -4.739 0.041 3.386 1.00 72.14 H new ATOM 0 HB2 LEU A 642 -2.211 -0.274 4.999 1.00 64.12 H new ATOM 0 HB3 LEU A 642 -2.351 0.841 3.654 1.00 64.12 H new ATOM 0 HG LEU A 642 -4.196 2.002 4.862 1.00 42.03 H new ATOM 0 HD11 LEU A 642 -4.458 1.595 7.261 1.00 25.42 H new ATOM 0 HD12 LEU A 642 -4.930 0.180 6.290 1.00 25.42 H new ATOM 0 HD13 LEU A 642 -3.366 0.195 7.139 1.00 25.42 H new ATOM 0 HD21 LEU A 642 -2.694 3.100 6.483 1.00 15.52 H new ATOM 0 HD22 LEU A 642 -1.542 1.754 6.315 1.00 15.52 H new ATOM 0 HD23 LEU A 642 -1.885 2.811 4.924 1.00 15.52 H new ATOM 937 N ILE A 643 -3.823 -1.077 1.435 1.00 44.13 N ATOM 938 CA ILE A 643 -3.447 -1.793 0.242 1.00 53.02 C ATOM 939 C ILE A 643 -2.436 -1.015 -0.574 1.00 63.31 C ATOM 940 O ILE A 643 -1.351 -1.511 -0.866 1.00 75.15 O ATOM 941 CB ILE A 643 -4.702 -2.044 -0.617 1.00 65.10 C ATOM 942 CG1 ILE A 643 -5.752 -2.789 0.202 1.00 40.04 C ATOM 943 CG2 ILE A 643 -4.368 -2.805 -1.894 1.00 73.11 C ATOM 944 CD1 ILE A 643 -5.327 -4.169 0.660 1.00 33.35 C ATOM 0 H ILE A 643 -4.510 -0.340 1.276 1.00 44.13 H new ATOM 0 HA ILE A 643 -2.993 -2.738 0.541 1.00 53.02 H new ATOM 0 HB ILE A 643 -5.107 -1.077 -0.917 1.00 65.10 H new ATOM 0 HG12 ILE A 643 -6.004 -2.191 1.078 1.00 40.04 H new ATOM 0 HG13 ILE A 643 -6.661 -2.881 -0.393 1.00 40.04 H new ATOM 0 HG21 ILE A 643 -5.278 -2.962 -2.472 1.00 73.11 H new ATOM 0 HG22 ILE A 643 -3.657 -2.228 -2.486 1.00 73.11 H new ATOM 0 HG23 ILE A 643 -3.929 -3.769 -1.639 1.00 73.11 H new ATOM 0 HD11 ILE A 643 -6.133 -4.626 1.235 1.00 33.35 H new ATOM 0 HD12 ILE A 643 -5.105 -4.788 -0.209 1.00 33.35 H new ATOM 0 HD13 ILE A 643 -4.437 -4.087 1.284 1.00 33.35 H new ATOM 956 N ALA A 644 -2.793 0.180 -0.951 1.00 4.32 N ATOM 957 CA ALA A 644 -1.925 1.005 -1.769 1.00 60.24 C ATOM 958 C ALA A 644 -1.911 2.423 -1.256 1.00 12.44 C ATOM 959 O ALA A 644 -2.916 2.902 -0.713 1.00 23.04 O ATOM 960 CB ALA A 644 -2.365 0.959 -3.221 1.00 52.20 C ATOM 0 H ALA A 644 -3.683 0.614 -0.707 1.00 4.32 H new ATOM 0 HA ALA A 644 -0.910 0.611 -1.709 1.00 60.24 H new ATOM 0 HB1 ALA A 644 -1.703 1.583 -3.822 1.00 52.20 H new ATOM 0 HB2 ALA A 644 -2.321 -0.069 -3.582 1.00 52.20 H new ATOM 0 HB3 ALA A 644 -3.387 1.329 -3.303 1.00 52.20 H new ATOM 966 N VAL A 645 -0.796 3.097 -1.431 1.00 14.11 N ATOM 967 CA VAL A 645 -0.635 4.429 -0.918 1.00 34.21 C ATOM 968 C VAL A 645 0.025 5.335 -1.979 1.00 65.33 C ATOM 969 O VAL A 645 0.990 4.945 -2.627 1.00 55.45 O ATOM 970 CB VAL A 645 0.199 4.420 0.400 1.00 41.02 C ATOM 971 CG1 VAL A 645 1.659 4.030 0.169 1.00 53.11 C ATOM 972 CG2 VAL A 645 0.071 5.727 1.146 1.00 61.52 C ATOM 0 H VAL A 645 0.017 2.736 -1.930 1.00 14.11 H new ATOM 0 HA VAL A 645 -1.622 4.831 -0.686 1.00 34.21 H new ATOM 0 HB VAL A 645 -0.225 3.642 1.034 1.00 41.02 H new ATOM 0 HG11 VAL A 645 2.193 4.040 1.119 1.00 53.11 H new ATOM 0 HG12 VAL A 645 1.705 3.030 -0.262 1.00 53.11 H new ATOM 0 HG13 VAL A 645 2.122 4.742 -0.515 1.00 53.11 H new ATOM 0 HG21 VAL A 645 0.665 5.685 2.059 1.00 61.52 H new ATOM 0 HG22 VAL A 645 0.430 6.542 0.517 1.00 61.52 H new ATOM 0 HG23 VAL A 645 -0.975 5.899 1.401 1.00 61.52 H new ATOM 982 N ASN A 646 -0.562 6.511 -2.191 1.00 44.11 N ATOM 983 CA ASN A 646 -0.071 7.530 -3.157 1.00 40.32 C ATOM 984 C ASN A 646 -0.116 7.022 -4.585 1.00 44.04 C ATOM 985 O ASN A 646 0.455 7.631 -5.491 1.00 51.53 O ATOM 986 CB ASN A 646 1.351 8.022 -2.817 1.00 0.43 C ATOM 987 CG ASN A 646 1.431 8.725 -1.485 1.00 25.34 C ATOM 988 OD1 ASN A 646 1.660 8.105 -0.464 1.00 55.35 O ATOM 989 ND2 ASN A 646 1.252 10.030 -1.482 1.00 62.30 N ATOM 0 H ASN A 646 -1.406 6.801 -1.696 1.00 44.11 H new ATOM 0 HA ASN A 646 -0.751 8.378 -3.070 1.00 40.32 H new ATOM 0 HB2 ASN A 646 2.032 7.171 -2.814 1.00 0.43 H new ATOM 0 HB3 ASN A 646 1.691 8.700 -3.600 1.00 0.43 H new ATOM 0 HD21 ASN A 646 1.304 10.550 -0.606 1.00 62.30 H new ATOM 0 HD22 ASN A 646 1.062 10.521 -2.356 1.00 62.30 H new ATOM 996 N GLY A 647 -0.824 5.935 -4.789 1.00 54.01 N ATOM 997 CA GLY A 647 -0.917 5.350 -6.098 1.00 73.32 C ATOM 998 C GLY A 647 0.093 4.245 -6.285 1.00 72.00 C ATOM 999 O GLY A 647 0.150 3.615 -7.340 1.00 5.52 O ATOM 0 H GLY A 647 -1.342 5.441 -4.062 1.00 54.01 H new ATOM 0 HA2 GLY A 647 -1.922 4.955 -6.250 1.00 73.32 H new ATOM 0 HA3 GLY A 647 -0.759 6.120 -6.853 1.00 73.32 H new ATOM 1003 N GLU A 648 0.890 4.012 -5.271 1.00 53.53 N ATOM 1004 CA GLU A 648 1.883 2.986 -5.302 1.00 43.32 C ATOM 1005 C GLU A 648 1.397 1.797 -4.484 1.00 64.11 C ATOM 1006 O GLU A 648 0.866 1.962 -3.382 1.00 22.35 O ATOM 1007 CB GLU A 648 3.207 3.527 -4.770 1.00 63.21 C ATOM 1008 CG GLU A 648 4.334 2.522 -4.788 1.00 11.21 C ATOM 1009 CD GLU A 648 5.641 3.122 -4.373 1.00 3.31 C ATOM 1010 OE1 GLU A 648 6.307 3.755 -5.222 1.00 32.25 O ATOM 1011 OE2 GLU A 648 6.045 2.954 -3.217 1.00 61.23 O ATOM 0 H GLU A 648 0.861 4.538 -4.397 1.00 53.53 H new ATOM 0 HA GLU A 648 2.049 2.656 -6.327 1.00 43.32 H new ATOM 0 HB2 GLU A 648 3.498 4.394 -5.363 1.00 63.21 H new ATOM 0 HB3 GLU A 648 3.061 3.875 -3.747 1.00 63.21 H new ATOM 0 HG2 GLU A 648 4.090 1.694 -4.122 1.00 11.21 H new ATOM 0 HG3 GLU A 648 4.430 2.106 -5.791 1.00 11.21 H new ATOM 1018 N SER A 649 1.557 0.627 -5.029 1.00 64.21 N ATOM 1019 CA SER A 649 1.095 -0.579 -4.401 1.00 63.13 C ATOM 1020 C SER A 649 2.177 -1.192 -3.517 1.00 75.03 C ATOM 1021 O SER A 649 3.361 -1.152 -3.854 1.00 34.13 O ATOM 1022 CB SER A 649 0.658 -1.556 -5.486 1.00 53.43 C ATOM 1023 OG SER A 649 -0.411 -0.995 -6.252 1.00 63.42 O ATOM 0 H SER A 649 2.015 0.480 -5.928 1.00 64.21 H new ATOM 0 HA SER A 649 0.249 -0.348 -3.753 1.00 63.13 H new ATOM 0 HB2 SER A 649 1.500 -1.788 -6.138 1.00 53.43 H new ATOM 0 HB3 SER A 649 0.338 -2.494 -5.033 1.00 53.43 H new ATOM 0 HG SER A 649 -0.683 -1.630 -6.947 1.00 63.42 H new ATOM 1029 N LEU A 650 1.778 -1.726 -2.384 1.00 20.33 N ATOM 1030 CA LEU A 650 2.715 -2.367 -1.482 1.00 62.23 C ATOM 1031 C LEU A 650 2.204 -3.690 -0.988 1.00 43.43 C ATOM 1032 O LEU A 650 2.825 -4.314 -0.119 1.00 23.21 O ATOM 1033 CB LEU A 650 3.136 -1.487 -0.283 1.00 40.32 C ATOM 1034 CG LEU A 650 2.042 -0.912 0.643 1.00 31.41 C ATOM 1035 CD1 LEU A 650 2.686 -0.322 1.875 1.00 54.22 C ATOM 1036 CD2 LEU A 650 1.254 0.182 -0.053 1.00 64.15 C ATOM 0 H LEU A 650 0.810 -1.730 -2.063 1.00 20.33 H new ATOM 0 HA LEU A 650 3.608 -2.530 -2.085 1.00 62.23 H new ATOM 0 HB2 LEU A 650 3.815 -2.075 0.335 1.00 40.32 H new ATOM 0 HB3 LEU A 650 3.709 -0.647 -0.676 1.00 40.32 H new ATOM 0 HG LEU A 650 1.366 -1.724 0.909 1.00 31.41 H new ATOM 0 HD11 LEU A 650 1.915 0.084 2.530 1.00 54.22 H new ATOM 0 HD12 LEU A 650 3.239 -1.098 2.404 1.00 54.22 H new ATOM 0 HD13 LEU A 650 3.370 0.475 1.582 1.00 54.22 H new ATOM 0 HD21 LEU A 650 0.491 0.568 0.623 1.00 64.15 H new ATOM 0 HD22 LEU A 650 1.928 0.990 -0.339 1.00 64.15 H new ATOM 0 HD23 LEU A 650 0.776 -0.225 -0.944 1.00 64.15 H new ATOM 1048 N LEU A 651 1.094 -4.145 -1.542 1.00 50.04 N ATOM 1049 CA LEU A 651 0.550 -5.417 -1.152 1.00 4.15 C ATOM 1050 C LEU A 651 1.480 -6.493 -1.693 1.00 31.32 C ATOM 1051 O LEU A 651 1.500 -6.770 -2.899 1.00 32.52 O ATOM 1052 CB LEU A 651 -0.909 -5.582 -1.688 1.00 71.03 C ATOM 1053 CG LEU A 651 -1.773 -6.772 -1.163 1.00 14.33 C ATOM 1054 CD1 LEU A 651 -3.184 -6.679 -1.715 1.00 64.33 C ATOM 1055 CD2 LEU A 651 -1.188 -8.132 -1.516 1.00 42.23 C ATOM 0 H LEU A 651 0.561 -3.651 -2.258 1.00 50.04 H new ATOM 0 HA LEU A 651 0.487 -5.498 -0.067 1.00 4.15 H new ATOM 0 HB2 LEU A 651 -1.448 -4.660 -1.468 1.00 71.03 H new ATOM 0 HB3 LEU A 651 -0.854 -5.667 -2.773 1.00 71.03 H new ATOM 0 HG LEU A 651 -1.783 -6.690 -0.076 1.00 14.33 H new ATOM 0 HD11 LEU A 651 -3.777 -7.514 -1.342 1.00 64.33 H new ATOM 0 HD12 LEU A 651 -3.638 -5.741 -1.396 1.00 64.33 H new ATOM 0 HD13 LEU A 651 -3.152 -6.715 -2.804 1.00 64.33 H new ATOM 0 HD21 LEU A 651 -1.833 -8.918 -1.124 1.00 42.23 H new ATOM 0 HD22 LEU A 651 -1.117 -8.227 -2.599 1.00 42.23 H new ATOM 0 HD23 LEU A 651 -0.194 -8.226 -1.078 1.00 42.23 H new ATOM 1067 N GLY A 652 2.299 -7.014 -0.822 1.00 61.15 N ATOM 1068 CA GLY A 652 3.199 -8.073 -1.185 1.00 44.12 C ATOM 1069 C GLY A 652 4.398 -8.109 -0.280 1.00 11.44 C ATOM 1070 O GLY A 652 5.010 -9.155 -0.086 1.00 34.34 O ATOM 0 H GLY A 652 2.362 -6.719 0.152 1.00 61.15 H new ATOM 0 HA2 GLY A 652 2.677 -9.029 -1.137 1.00 44.12 H new ATOM 0 HA3 GLY A 652 3.524 -7.938 -2.217 1.00 44.12 H new ATOM 1074 N LYS A 653 4.728 -6.969 0.290 1.00 23.04 N ATOM 1075 CA LYS A 653 5.860 -6.873 1.190 1.00 40.30 C ATOM 1076 C LYS A 653 5.397 -7.034 2.644 1.00 71.02 C ATOM 1077 O LYS A 653 4.189 -7.037 2.921 1.00 24.22 O ATOM 1078 CB LYS A 653 6.596 -5.547 0.973 1.00 41.24 C ATOM 1079 CG LYS A 653 5.753 -4.326 1.272 1.00 51.22 C ATOM 1080 CD LYS A 653 6.446 -2.993 0.949 1.00 54.43 C ATOM 1081 CE LYS A 653 6.773 -2.800 -0.541 1.00 24.12 C ATOM 1082 NZ LYS A 653 7.961 -3.557 -1.018 1.00 44.11 N ATOM 0 H LYS A 653 4.227 -6.092 0.146 1.00 23.04 H new ATOM 0 HA LYS A 653 6.560 -7.680 0.975 1.00 40.30 H new ATOM 0 HB2 LYS A 653 7.484 -5.527 1.604 1.00 41.24 H new ATOM 0 HB3 LYS A 653 6.938 -5.497 -0.061 1.00 41.24 H new ATOM 0 HG2 LYS A 653 4.826 -4.389 0.702 1.00 51.22 H new ATOM 0 HG3 LYS A 653 5.480 -4.335 2.327 1.00 51.22 H new ATOM 0 HD2 LYS A 653 5.806 -2.174 1.279 1.00 54.43 H new ATOM 0 HD3 LYS A 653 7.370 -2.927 1.524 1.00 54.43 H new ATOM 0 HE2 LYS A 653 5.907 -3.100 -1.131 1.00 24.12 H new ATOM 0 HE3 LYS A 653 6.935 -1.739 -0.729 1.00 24.12 H new ATOM 0 HZ1 LYS A 653 8.612 -2.910 -1.507 1.00 44.11 H new ATOM 0 HZ2 LYS A 653 8.447 -3.988 -0.206 1.00 44.11 H new ATOM 0 HZ3 LYS A 653 7.656 -4.303 -1.675 1.00 44.11 H new ATOM 1096 N ALA A 654 6.347 -7.149 3.548 1.00 13.05 N ATOM 1097 CA ALA A 654 6.069 -7.413 4.962 1.00 73.40 C ATOM 1098 C ALA A 654 5.684 -6.147 5.729 1.00 74.41 C ATOM 1099 O ALA A 654 5.801 -5.039 5.204 1.00 34.03 O ATOM 1100 CB ALA A 654 7.280 -8.071 5.606 1.00 24.32 C ATOM 0 H ALA A 654 7.340 -7.063 3.332 1.00 13.05 H new ATOM 0 HA ALA A 654 5.212 -8.085 5.009 1.00 73.40 H new ATOM 0 HB1 ALA A 654 7.071 -8.267 6.658 1.00 24.32 H new ATOM 0 HB2 ALA A 654 7.497 -9.011 5.098 1.00 24.32 H new ATOM 0 HB3 ALA A 654 8.141 -7.408 5.524 1.00 24.32 H new ATOM 1106 N ASN A 655 5.245 -6.332 7.000 1.00 43.11 N ATOM 1107 CA ASN A 655 4.829 -5.215 7.913 1.00 33.13 C ATOM 1108 C ASN A 655 5.893 -4.128 7.944 1.00 42.41 C ATOM 1109 O ASN A 655 5.606 -2.935 7.798 1.00 61.41 O ATOM 1110 CB ASN A 655 4.695 -5.701 9.389 1.00 32.01 C ATOM 1111 CG ASN A 655 3.655 -6.777 9.693 1.00 60.30 C ATOM 1112 OD1 ASN A 655 3.866 -7.597 10.584 1.00 72.24 O ATOM 1113 ND2 ASN A 655 2.548 -6.795 9.000 1.00 62.21 N ATOM 0 H ASN A 655 5.166 -7.254 7.428 1.00 43.11 H new ATOM 0 HA ASN A 655 3.876 -4.850 7.529 1.00 33.13 H new ATOM 0 HB2 ASN A 655 5.668 -6.076 9.708 1.00 32.01 H new ATOM 0 HB3 ASN A 655 4.469 -4.833 10.008 1.00 32.01 H new ATOM 0 HD21 ASN A 655 1.837 -7.500 9.194 1.00 62.21 H new ATOM 0 HD22 ASN A 655 2.395 -6.104 8.265 1.00 62.21 H new ATOM 1120 N GLN A 656 7.124 -4.574 8.120 1.00 63.14 N ATOM 1121 CA GLN A 656 8.289 -3.705 8.267 1.00 15.13 C ATOM 1122 C GLN A 656 8.535 -2.904 7.008 1.00 40.42 C ATOM 1123 O GLN A 656 8.764 -1.694 7.058 1.00 74.20 O ATOM 1124 CB GLN A 656 9.518 -4.563 8.582 1.00 73.21 C ATOM 1125 CG GLN A 656 9.383 -5.406 9.840 1.00 22.44 C ATOM 1126 CD GLN A 656 10.573 -6.317 10.065 1.00 61.11 C ATOM 1127 OE1 GLN A 656 11.549 -5.943 10.708 1.00 42.21 O ATOM 1128 NE2 GLN A 656 10.499 -7.518 9.547 1.00 30.14 N ATOM 0 H GLN A 656 7.351 -5.567 8.166 1.00 63.14 H new ATOM 0 HA GLN A 656 8.101 -3.005 9.081 1.00 15.13 H new ATOM 0 HB2 GLN A 656 9.714 -5.222 7.736 1.00 73.21 H new ATOM 0 HB3 GLN A 656 10.385 -3.911 8.686 1.00 73.21 H new ATOM 0 HG2 GLN A 656 9.266 -4.749 10.702 1.00 22.44 H new ATOM 0 HG3 GLN A 656 8.477 -6.008 9.773 1.00 22.44 H new ATOM 0 HE21 GLN A 656 9.672 -7.795 9.018 1.00 30.14 H new ATOM 0 HE22 GLN A 656 11.268 -8.176 9.673 1.00 30.14 H new ATOM 1137 N GLU A 657 8.461 -3.581 5.892 1.00 63.01 N ATOM 1138 CA GLU A 657 8.725 -2.986 4.599 1.00 41.05 C ATOM 1139 C GLU A 657 7.616 -2.020 4.237 1.00 45.52 C ATOM 1140 O GLU A 657 7.857 -0.939 3.688 1.00 22.15 O ATOM 1141 CB GLU A 657 8.791 -4.079 3.556 1.00 53.32 C ATOM 1142 CG GLU A 657 9.787 -5.169 3.860 1.00 71.43 C ATOM 1143 CD GLU A 657 9.814 -6.211 2.787 1.00 55.24 C ATOM 1144 OE1 GLU A 657 8.966 -7.118 2.803 1.00 11.42 O ATOM 1145 OE2 GLU A 657 10.668 -6.118 1.892 1.00 24.03 O ATOM 0 H GLU A 657 8.214 -4.570 5.850 1.00 63.01 H new ATOM 0 HA GLU A 657 9.672 -2.447 4.638 1.00 41.05 H new ATOM 0 HB2 GLU A 657 7.802 -4.526 3.452 1.00 53.32 H new ATOM 0 HB3 GLU A 657 9.042 -3.632 2.594 1.00 53.32 H new ATOM 0 HG2 GLU A 657 10.780 -4.734 3.969 1.00 71.43 H new ATOM 0 HG3 GLU A 657 9.537 -5.635 4.813 1.00 71.43 H new ATOM 1152 N ALA A 658 6.394 -2.419 4.568 1.00 0.25 N ATOM 1153 CA ALA A 658 5.211 -1.644 4.285 1.00 23.54 C ATOM 1154 C ALA A 658 5.278 -0.278 4.930 1.00 71.13 C ATOM 1155 O ALA A 658 4.999 0.716 4.286 1.00 53.41 O ATOM 1156 CB ALA A 658 3.967 -2.389 4.727 1.00 34.41 C ATOM 0 H ALA A 658 6.204 -3.300 5.045 1.00 0.25 H new ATOM 0 HA ALA A 658 5.159 -1.496 3.206 1.00 23.54 H new ATOM 0 HB1 ALA A 658 3.085 -1.788 4.505 1.00 34.41 H new ATOM 0 HB2 ALA A 658 3.903 -3.338 4.195 1.00 34.41 H new ATOM 0 HB3 ALA A 658 4.017 -2.577 5.799 1.00 34.41 H new ATOM 1162 N MET A 659 5.667 -0.226 6.198 1.00 63.23 N ATOM 1163 CA MET A 659 5.780 1.053 6.884 1.00 71.03 C ATOM 1164 C MET A 659 6.858 1.925 6.289 1.00 4.43 C ATOM 1165 O MET A 659 6.696 3.144 6.227 1.00 11.14 O ATOM 1166 CB MET A 659 5.943 0.910 8.387 1.00 45.21 C ATOM 1167 CG MET A 659 4.706 0.364 9.066 1.00 2.53 C ATOM 1168 SD MET A 659 4.863 0.287 10.853 1.00 44.35 S ATOM 1169 CE MET A 659 3.186 -0.145 11.286 1.00 13.24 C ATOM 0 H MET A 659 5.906 -1.040 6.764 1.00 63.23 H new ATOM 0 HA MET A 659 4.827 1.558 6.725 1.00 71.03 H new ATOM 0 HB2 MET A 659 6.786 0.251 8.594 1.00 45.21 H new ATOM 0 HB3 MET A 659 6.186 1.883 8.815 1.00 45.21 H new ATOM 0 HG2 MET A 659 3.851 0.989 8.808 1.00 2.53 H new ATOM 0 HG3 MET A 659 4.498 -0.635 8.682 1.00 2.53 H new ATOM 0 HE1 MET A 659 2.947 0.264 12.268 1.00 13.24 H new ATOM 0 HE2 MET A 659 2.501 0.267 10.545 1.00 13.24 H new ATOM 0 HE3 MET A 659 3.084 -1.230 11.310 1.00 13.24 H new ATOM 1179 N GLU A 660 7.949 1.313 5.831 1.00 22.22 N ATOM 1180 CA GLU A 660 8.998 2.072 5.157 1.00 62.44 C ATOM 1181 C GLU A 660 8.440 2.687 3.888 1.00 12.34 C ATOM 1182 O GLU A 660 8.663 3.860 3.607 1.00 33.41 O ATOM 1183 CB GLU A 660 10.202 1.206 4.814 1.00 34.31 C ATOM 1184 CG GLU A 660 10.866 0.567 6.005 1.00 15.30 C ATOM 1185 CD GLU A 660 12.101 -0.199 5.621 1.00 31.12 C ATOM 1186 OE1 GLU A 660 11.988 -1.331 5.127 1.00 20.44 O ATOM 1187 OE2 GLU A 660 13.217 0.323 5.809 1.00 13.24 O ATOM 0 H GLU A 660 8.127 0.312 5.912 1.00 22.22 H new ATOM 0 HA GLU A 660 9.335 2.851 5.841 1.00 62.44 H new ATOM 0 HB2 GLU A 660 9.887 0.422 4.125 1.00 34.31 H new ATOM 0 HB3 GLU A 660 10.936 1.817 4.288 1.00 34.31 H new ATOM 0 HG2 GLU A 660 11.129 1.338 6.730 1.00 15.30 H new ATOM 0 HG3 GLU A 660 10.161 -0.105 6.495 1.00 15.30 H new ATOM 1194 N THR A 661 7.682 1.887 3.145 1.00 40.43 N ATOM 1195 CA THR A 661 7.057 2.343 1.929 1.00 21.53 C ATOM 1196 C THR A 661 6.036 3.450 2.241 1.00 34.21 C ATOM 1197 O THR A 661 6.066 4.506 1.629 1.00 64.12 O ATOM 1198 CB THR A 661 6.368 1.172 1.187 1.00 25.03 C ATOM 1199 OG1 THR A 661 7.335 0.141 0.919 1.00 65.40 O ATOM 1200 CG2 THR A 661 5.759 1.634 -0.133 1.00 45.33 C ATOM 0 H THR A 661 7.490 0.912 3.375 1.00 40.43 H new ATOM 0 HA THR A 661 7.832 2.748 1.278 1.00 21.53 H new ATOM 0 HB THR A 661 5.569 0.791 1.824 1.00 25.03 H new ATOM 0 HG1 THR A 661 7.580 -0.304 1.757 1.00 65.40 H new ATOM 0 HG21 THR A 661 5.283 0.789 -0.630 1.00 45.33 H new ATOM 0 HG22 THR A 661 5.015 2.407 0.060 1.00 45.33 H new ATOM 0 HG23 THR A 661 6.543 2.037 -0.774 1.00 45.33 H new ATOM 1208 N LEU A 662 5.173 3.208 3.231 1.00 2.04 N ATOM 1209 CA LEU A 662 4.137 4.171 3.614 1.00 2.14 C ATOM 1210 C LEU A 662 4.729 5.515 3.961 1.00 53.25 C ATOM 1211 O LEU A 662 4.385 6.508 3.342 1.00 13.45 O ATOM 1212 CB LEU A 662 3.295 3.671 4.810 1.00 35.13 C ATOM 1213 CG LEU A 662 2.449 2.405 4.619 1.00 41.21 C ATOM 1214 CD1 LEU A 662 1.810 2.003 5.938 1.00 63.51 C ATOM 1215 CD2 LEU A 662 1.369 2.633 3.579 1.00 62.04 C ATOM 0 H LEU A 662 5.171 2.351 3.784 1.00 2.04 H new ATOM 0 HA LEU A 662 3.488 4.276 2.745 1.00 2.14 H new ATOM 0 HB2 LEU A 662 3.973 3.496 5.645 1.00 35.13 H new ATOM 0 HB3 LEU A 662 2.625 4.478 5.107 1.00 35.13 H new ATOM 0 HG LEU A 662 3.104 1.605 4.274 1.00 41.21 H new ATOM 0 HD11 LEU A 662 1.211 1.104 5.793 1.00 63.51 H new ATOM 0 HD12 LEU A 662 2.589 1.806 6.674 1.00 63.51 H new ATOM 0 HD13 LEU A 662 1.171 2.811 6.294 1.00 63.51 H new ATOM 0 HD21 LEU A 662 0.781 1.723 3.459 1.00 62.04 H new ATOM 0 HD22 LEU A 662 0.718 3.445 3.902 1.00 62.04 H new ATOM 0 HD23 LEU A 662 1.830 2.895 2.627 1.00 62.04 H new ATOM 1227 N ARG A 663 5.660 5.533 4.913 1.00 15.32 N ATOM 1228 CA ARG A 663 6.244 6.793 5.386 1.00 13.35 C ATOM 1229 C ARG A 663 6.970 7.523 4.270 1.00 14.41 C ATOM 1230 O ARG A 663 6.965 8.750 4.206 1.00 43.23 O ATOM 1231 CB ARG A 663 7.191 6.565 6.560 1.00 71.11 C ATOM 1232 CG ARG A 663 6.544 5.898 7.753 1.00 74.45 C ATOM 1233 CD ARG A 663 7.513 5.760 8.914 1.00 73.41 C ATOM 1234 NE ARG A 663 7.897 7.060 9.482 1.00 12.23 N ATOM 1235 CZ ARG A 663 8.469 7.229 10.689 1.00 22.13 C ATOM 1236 NH1 ARG A 663 8.833 6.168 11.418 1.00 33.41 N ATOM 1237 NH2 ARG A 663 8.693 8.459 11.150 1.00 50.05 N ATOM 0 H ARG A 663 6.026 4.698 5.371 1.00 15.32 H new ATOM 0 HA ARG A 663 5.417 7.416 5.726 1.00 13.35 H new ATOM 0 HB2 ARG A 663 8.028 5.953 6.224 1.00 71.11 H new ATOM 0 HB3 ARG A 663 7.603 7.525 6.873 1.00 71.11 H new ATOM 0 HG2 ARG A 663 5.678 6.479 8.069 1.00 74.45 H new ATOM 0 HG3 ARG A 663 6.179 4.912 7.465 1.00 74.45 H new ATOM 0 HD2 ARG A 663 7.058 5.147 9.692 1.00 73.41 H new ATOM 0 HD3 ARG A 663 8.407 5.236 8.577 1.00 73.41 H new ATOM 0 HE ARG A 663 7.717 7.893 8.922 1.00 12.23 H new ATOM 0 HH11 ARG A 663 8.678 5.226 11.060 1.00 33.41 H new ATOM 0 HH12 ARG A 663 9.266 6.301 12.332 1.00 33.41 H new ATOM 0 HH21 ARG A 663 8.431 9.270 10.589 1.00 50.05 H new ATOM 0 HH22 ARG A 663 9.126 8.590 12.064 1.00 50.05 H new ATOM 1251 N ARG A 664 7.555 6.775 3.386 1.00 10.51 N ATOM 1252 CA ARG A 664 8.297 7.338 2.296 1.00 74.53 C ATOM 1253 C ARG A 664 7.380 7.876 1.222 1.00 1.12 C ATOM 1254 O ARG A 664 7.556 8.987 0.771 1.00 31.05 O ATOM 1255 CB ARG A 664 9.260 6.314 1.750 1.00 61.10 C ATOM 1256 CG ARG A 664 10.175 6.810 0.663 1.00 71.45 C ATOM 1257 CD ARG A 664 11.162 5.714 0.303 1.00 70.13 C ATOM 1258 NE ARG A 664 11.924 5.293 1.499 1.00 54.30 N ATOM 1259 CZ ARG A 664 12.559 4.127 1.666 1.00 71.22 C ATOM 1260 NH1 ARG A 664 12.566 3.215 0.709 1.00 40.33 N ATOM 1261 NH2 ARG A 664 13.181 3.880 2.807 1.00 75.31 N ATOM 0 H ARG A 664 7.533 5.755 3.398 1.00 10.51 H new ATOM 0 HA ARG A 664 8.873 8.186 2.666 1.00 74.53 H new ATOM 0 HB2 ARG A 664 9.869 5.937 2.572 1.00 61.10 H new ATOM 0 HB3 ARG A 664 8.688 5.470 1.364 1.00 61.10 H new ATOM 0 HG2 ARG A 664 9.595 7.096 -0.214 1.00 71.45 H new ATOM 0 HG3 ARG A 664 10.708 7.700 0.998 1.00 71.45 H new ATOM 0 HD2 ARG A 664 10.630 4.860 -0.116 1.00 70.13 H new ATOM 0 HD3 ARG A 664 11.847 6.071 -0.466 1.00 70.13 H new ATOM 0 HE ARG A 664 11.970 5.957 2.272 1.00 54.30 H new ATOM 0 HH11 ARG A 664 12.083 3.396 -0.171 1.00 40.33 H new ATOM 0 HH12 ARG A 664 13.054 2.331 0.851 1.00 40.33 H new ATOM 0 HH21 ARG A 664 13.175 4.576 3.552 1.00 75.31 H new ATOM 0 HH22 ARG A 664 13.667 2.993 2.941 1.00 75.31 H new ATOM 1275 N SER A 665 6.380 7.123 0.849 1.00 53.41 N ATOM 1276 CA SER A 665 5.498 7.547 -0.202 1.00 52.03 C ATOM 1277 C SER A 665 4.634 8.704 0.265 1.00 41.20 C ATOM 1278 O SER A 665 4.379 9.636 -0.484 1.00 11.12 O ATOM 1279 CB SER A 665 4.652 6.374 -0.695 1.00 3.22 C ATOM 1280 OG SER A 665 5.496 5.328 -1.147 1.00 72.02 O ATOM 0 H SER A 665 6.157 6.215 1.257 1.00 53.41 H new ATOM 0 HA SER A 665 6.095 7.900 -1.043 1.00 52.03 H new ATOM 0 HB2 SER A 665 4.010 6.014 0.109 1.00 3.22 H new ATOM 0 HB3 SER A 665 3.998 6.700 -1.503 1.00 3.22 H new ATOM 0 HG SER A 665 5.859 4.844 -0.376 1.00 72.02 H new ATOM 1286 N MET A 666 4.252 8.682 1.519 1.00 51.32 N ATOM 1287 CA MET A 666 3.397 9.734 2.059 1.00 55.34 C ATOM 1288 C MET A 666 4.168 11.042 2.184 1.00 24.02 C ATOM 1289 O MET A 666 3.595 12.120 2.100 1.00 42.11 O ATOM 1290 CB MET A 666 2.810 9.340 3.415 1.00 72.30 C ATOM 1291 CG MET A 666 3.834 9.206 4.526 1.00 21.33 C ATOM 1292 SD MET A 666 3.126 8.692 6.063 1.00 4.14 S ATOM 1293 CE MET A 666 1.925 9.983 6.265 1.00 51.35 C ATOM 0 H MET A 666 4.512 7.957 2.188 1.00 51.32 H new ATOM 0 HA MET A 666 2.572 9.874 1.361 1.00 55.34 H new ATOM 0 HB2 MET A 666 2.070 10.085 3.707 1.00 72.30 H new ATOM 0 HB3 MET A 666 2.283 8.392 3.307 1.00 72.30 H new ATOM 0 HG2 MET A 666 4.596 8.487 4.225 1.00 21.33 H new ATOM 0 HG3 MET A 666 4.337 10.163 4.666 1.00 21.33 H new ATOM 0 HE1 MET A 666 1.655 10.068 7.318 1.00 51.35 H new ATOM 0 HE2 MET A 666 2.345 10.928 5.921 1.00 51.35 H new ATOM 0 HE3 MET A 666 1.036 9.747 5.681 1.00 51.35 H new ATOM 1303 N SER A 667 5.462 10.934 2.374 1.00 32.34 N ATOM 1304 CA SER A 667 6.307 12.083 2.497 1.00 34.21 C ATOM 1305 C SER A 667 6.782 12.534 1.119 1.00 73.34 C ATOM 1306 O SER A 667 6.573 13.689 0.720 1.00 23.42 O ATOM 1307 CB SER A 667 7.508 11.746 3.401 1.00 14.00 C ATOM 1308 OG SER A 667 8.388 12.848 3.548 1.00 23.35 O ATOM 0 H SER A 667 5.953 10.043 2.447 1.00 32.34 H new ATOM 0 HA SER A 667 5.744 12.899 2.949 1.00 34.21 H new ATOM 0 HB2 SER A 667 7.148 11.436 4.382 1.00 14.00 H new ATOM 0 HB3 SER A 667 8.053 10.901 2.980 1.00 14.00 H new ATOM 0 HG SER A 667 9.135 12.595 4.129 1.00 23.35 H new ATOM 1314 N THR A 668 7.377 11.615 0.382 1.00 2.42 N ATOM 1315 CA THR A 668 7.959 11.914 -0.905 1.00 72.20 C ATOM 1316 C THR A 668 6.890 12.183 -1.967 1.00 70.01 C ATOM 1317 O THR A 668 6.873 13.248 -2.583 1.00 25.00 O ATOM 1318 CB THR A 668 8.872 10.760 -1.325 1.00 4.12 C ATOM 1319 OG1 THR A 668 9.885 10.577 -0.316 1.00 24.32 O ATOM 1320 CG2 THR A 668 9.527 11.003 -2.674 1.00 21.22 C ATOM 0 H THR A 668 7.469 10.639 0.663 1.00 2.42 H new ATOM 0 HA THR A 668 8.546 12.828 -0.816 1.00 72.20 H new ATOM 0 HB THR A 668 8.260 9.863 -1.423 1.00 4.12 H new ATOM 0 HG1 THR A 668 9.538 9.998 0.395 1.00 24.32 H new ATOM 0 HG21 THR A 668 10.165 10.156 -2.927 1.00 21.22 H new ATOM 0 HG22 THR A 668 8.757 11.118 -3.437 1.00 21.22 H new ATOM 0 HG23 THR A 668 10.130 11.910 -2.628 1.00 21.22 H new ATOM 1328 N GLU A 669 5.981 11.248 -2.135 1.00 22.52 N ATOM 1329 CA GLU A 669 4.935 11.389 -3.149 1.00 21.13 C ATOM 1330 C GLU A 669 3.798 12.263 -2.638 1.00 14.23 C ATOM 1331 O GLU A 669 3.127 12.932 -3.417 1.00 55.34 O ATOM 1332 CB GLU A 669 4.393 10.026 -3.578 1.00 35.34 C ATOM 1333 CG GLU A 669 5.399 9.131 -4.280 1.00 23.52 C ATOM 1334 CD GLU A 669 5.856 9.691 -5.610 1.00 32.41 C ATOM 1335 OE1 GLU A 669 5.097 9.573 -6.603 1.00 32.33 O ATOM 1336 OE2 GLU A 669 6.983 10.226 -5.697 1.00 53.31 O ATOM 0 H GLU A 669 5.936 10.385 -1.593 1.00 22.52 H new ATOM 0 HA GLU A 669 5.384 11.870 -4.018 1.00 21.13 H new ATOM 0 HB2 GLU A 669 4.019 9.506 -2.696 1.00 35.34 H new ATOM 0 HB3 GLU A 669 3.542 10.182 -4.241 1.00 35.34 H new ATOM 0 HG2 GLU A 669 6.265 8.990 -3.634 1.00 23.52 H new ATOM 0 HG3 GLU A 669 4.955 8.148 -4.438 1.00 23.52 H new ATOM 1343 N GLY A 670 3.588 12.250 -1.332 1.00 62.02 N ATOM 1344 CA GLY A 670 2.524 13.034 -0.720 1.00 33.30 C ATOM 1345 C GLY A 670 2.653 14.507 -1.005 1.00 71.30 C ATOM 1346 O GLY A 670 1.773 15.106 -1.632 1.00 43.11 O ATOM 0 H GLY A 670 4.141 11.704 -0.672 1.00 62.02 H new ATOM 0 HA2 GLY A 670 1.560 12.680 -1.086 1.00 33.30 H new ATOM 0 HA3 GLY A 670 2.534 12.874 0.358 1.00 33.30 H new ATOM 1350 N ASN A 671 3.770 15.083 -0.598 1.00 51.23 N ATOM 1351 CA ASN A 671 4.022 16.514 -0.797 1.00 73.20 C ATOM 1352 C ASN A 671 4.163 16.825 -2.294 1.00 24.22 C ATOM 1353 O ASN A 671 3.957 17.952 -2.735 1.00 42.52 O ATOM 1354 CB ASN A 671 5.302 16.937 -0.061 1.00 71.24 C ATOM 1355 CG ASN A 671 5.557 18.439 -0.109 1.00 75.01 C ATOM 1356 OD1 ASN A 671 4.619 19.254 -0.107 1.00 51.13 O ATOM 1357 ND2 ASN A 671 6.806 18.816 -0.180 1.00 51.24 N ATOM 0 H ASN A 671 4.525 14.586 -0.125 1.00 51.23 H new ATOM 0 HA ASN A 671 3.177 17.072 -0.393 1.00 73.20 H new ATOM 0 HB2 ASN A 671 5.236 16.620 0.980 1.00 71.24 H new ATOM 0 HB3 ASN A 671 6.154 16.417 -0.499 1.00 71.24 H new ATOM 0 HD21 ASN A 671 7.037 19.808 -0.236 1.00 51.24 H new ATOM 0 HD22 ASN A 671 7.550 18.118 -0.179 1.00 51.24 H new ATOM 1364 N LYS A 672 4.511 15.811 -3.066 1.00 11.34 N ATOM 1365 CA LYS A 672 4.679 15.950 -4.504 1.00 43.05 C ATOM 1366 C LYS A 672 3.332 16.106 -5.206 1.00 1.24 C ATOM 1367 O LYS A 672 3.150 17.004 -6.006 1.00 24.15 O ATOM 1368 CB LYS A 672 5.430 14.733 -5.073 1.00 30.10 C ATOM 1369 CG LYS A 672 5.603 14.659 -6.614 1.00 75.53 C ATOM 1370 CD LYS A 672 6.601 15.671 -7.230 1.00 33.54 C ATOM 1371 CE LYS A 672 6.166 17.129 -7.175 1.00 21.01 C ATOM 1372 NZ LYS A 672 7.123 17.996 -7.897 1.00 14.32 N ATOM 0 H LYS A 672 4.685 14.869 -2.716 1.00 11.34 H new ATOM 0 HA LYS A 672 5.265 16.851 -4.687 1.00 43.05 H new ATOM 0 HB2 LYS A 672 6.421 14.707 -4.621 1.00 30.10 H new ATOM 0 HB3 LYS A 672 4.908 13.833 -4.749 1.00 30.10 H new ATOM 0 HG2 LYS A 672 5.928 13.652 -6.876 1.00 75.53 H new ATOM 0 HG3 LYS A 672 4.628 14.811 -7.078 1.00 75.53 H new ATOM 0 HD2 LYS A 672 7.556 15.574 -6.714 1.00 33.54 H new ATOM 0 HD3 LYS A 672 6.772 15.399 -8.272 1.00 33.54 H new ATOM 0 HE2 LYS A 672 5.174 17.233 -7.614 1.00 21.01 H new ATOM 0 HE3 LYS A 672 6.091 17.451 -6.136 1.00 21.01 H new ATOM 0 HZ1 LYS A 672 6.804 18.984 -7.845 1.00 14.32 H new ATOM 0 HZ2 LYS A 672 8.064 17.912 -7.462 1.00 14.32 H new ATOM 0 HZ3 LYS A 672 7.175 17.701 -8.893 1.00 14.32 H new ATOM 1386 N ARG A 673 2.396 15.237 -4.891 1.00 41.41 N ATOM 1387 CA ARG A 673 1.104 15.235 -5.580 1.00 31.14 C ATOM 1388 C ARG A 673 0.169 16.255 -4.968 1.00 54.14 C ATOM 1389 O ARG A 673 -0.815 16.656 -5.586 1.00 52.44 O ATOM 1390 CB ARG A 673 0.455 13.843 -5.509 1.00 21.21 C ATOM 1391 CG ARG A 673 1.368 12.710 -5.941 1.00 41.30 C ATOM 1392 CD ARG A 673 1.888 12.894 -7.347 1.00 62.31 C ATOM 1393 NE ARG A 673 2.915 11.903 -7.652 1.00 44.41 N ATOM 1394 CZ ARG A 673 3.748 11.960 -8.683 1.00 32.05 C ATOM 1395 NH1 ARG A 673 3.566 12.855 -9.646 1.00 63.01 N ATOM 1396 NH2 ARG A 673 4.746 11.101 -8.762 1.00 0.41 N ATOM 0 H ARG A 673 2.495 14.524 -4.169 1.00 41.41 H new ATOM 0 HA ARG A 673 1.283 15.495 -6.623 1.00 31.14 H new ATOM 0 HB2 ARG A 673 0.125 13.660 -4.486 1.00 21.21 H new ATOM 0 HB3 ARG A 673 -0.436 13.837 -6.137 1.00 21.21 H new ATOM 0 HG2 ARG A 673 2.209 12.642 -5.251 1.00 41.30 H new ATOM 0 HG3 ARG A 673 0.826 11.766 -5.877 1.00 41.30 H new ATOM 0 HD2 ARG A 673 1.067 12.804 -8.058 1.00 62.31 H new ATOM 0 HD3 ARG A 673 2.299 13.897 -7.459 1.00 62.31 H new ATOM 0 HE ARG A 673 2.999 11.104 -7.023 1.00 44.41 H new ATOM 0 HH11 ARG A 673 2.782 13.505 -9.596 1.00 63.01 H new ATOM 0 HH12 ARG A 673 4.211 12.893 -10.436 1.00 63.01 H new ATOM 0 HH21 ARG A 673 4.873 10.399 -8.033 1.00 0.41 H new ATOM 0 HH22 ARG A 673 5.390 11.139 -9.552 1.00 0.41 H new ATOM 1410 N GLY A 674 0.455 16.642 -3.738 1.00 23.45 N ATOM 1411 CA GLY A 674 -0.393 17.587 -3.033 1.00 0.22 C ATOM 1412 C GLY A 674 -1.509 16.860 -2.323 1.00 34.11 C ATOM 1413 O GLY A 674 -2.240 17.426 -1.518 1.00 43.23 O ATOM 0 H GLY A 674 1.264 16.318 -3.208 1.00 23.45 H new ATOM 0 HA2 GLY A 674 0.200 18.151 -2.312 1.00 0.22 H new ATOM 0 HA3 GLY A 674 -0.809 18.308 -3.737 1.00 0.22 H new ATOM 1417 N MET A 675 -1.637 15.598 -2.644 1.00 25.44 N ATOM 1418 CA MET A 675 -2.617 14.734 -2.066 1.00 20.40 C ATOM 1419 C MET A 675 -2.075 13.337 -2.013 1.00 34.40 C ATOM 1420 O MET A 675 -1.227 12.949 -2.827 1.00 4.54 O ATOM 1421 CB MET A 675 -3.935 14.763 -2.854 1.00 43.03 C ATOM 1422 CG MET A 675 -3.773 14.376 -4.320 1.00 33.04 C ATOM 1423 SD MET A 675 -5.311 14.440 -5.250 1.00 1.34 S ATOM 1424 CE MET A 675 -6.267 13.190 -4.399 1.00 13.22 C ATOM 0 H MET A 675 -1.043 15.137 -3.334 1.00 25.44 H new ATOM 0 HA MET A 675 -2.833 15.086 -1.057 1.00 20.40 H new ATOM 0 HB2 MET A 675 -4.646 14.084 -2.383 1.00 43.03 H new ATOM 0 HB3 MET A 675 -4.363 15.764 -2.795 1.00 43.03 H new ATOM 0 HG2 MET A 675 -3.047 15.043 -4.786 1.00 33.04 H new ATOM 0 HG3 MET A 675 -3.363 13.368 -4.379 1.00 33.04 H new ATOM 0 HE1 MET A 675 -7.122 12.905 -5.013 1.00 13.22 H new ATOM 0 HE2 MET A 675 -5.643 12.315 -4.218 1.00 13.22 H new ATOM 0 HE3 MET A 675 -6.620 13.587 -3.447 1.00 13.22 H new ATOM 1434 N ILE A 676 -2.531 12.615 -1.071 1.00 15.15 N ATOM 1435 CA ILE A 676 -2.181 11.273 -0.901 1.00 54.24 C ATOM 1436 C ILE A 676 -3.414 10.425 -1.191 1.00 52.52 C ATOM 1437 O ILE A 676 -4.528 10.747 -0.776 1.00 22.43 O ATOM 1438 CB ILE A 676 -1.579 11.015 0.520 1.00 63.43 C ATOM 1439 CG1 ILE A 676 -1.246 9.537 0.710 1.00 22.35 C ATOM 1440 CG2 ILE A 676 -2.500 11.526 1.612 1.00 44.23 C ATOM 1441 CD1 ILE A 676 -0.508 9.205 1.969 1.00 61.43 C ATOM 0 H ILE A 676 -3.186 12.960 -0.369 1.00 15.15 H new ATOM 0 HA ILE A 676 -1.392 10.993 -1.599 1.00 54.24 H new ATOM 0 HB ILE A 676 -0.648 11.576 0.597 1.00 63.43 H new ATOM 0 HG12 ILE A 676 -2.175 8.967 0.692 1.00 22.35 H new ATOM 0 HG13 ILE A 676 -0.650 9.203 -0.140 1.00 22.35 H new ATOM 0 HG21 ILE A 676 -2.052 11.331 2.586 1.00 44.23 H new ATOM 0 HG22 ILE A 676 -2.650 12.599 1.489 1.00 44.23 H new ATOM 0 HG23 ILE A 676 -3.461 11.016 1.546 1.00 44.23 H new ATOM 0 HD11 ILE A 676 -0.320 8.132 2.008 1.00 61.43 H new ATOM 0 HD12 ILE A 676 0.441 9.741 1.986 1.00 61.43 H new ATOM 0 HD13 ILE A 676 -1.107 9.500 2.830 1.00 61.43 H new ATOM 1453 N GLN A 677 -3.222 9.403 -1.946 1.00 45.20 N ATOM 1454 CA GLN A 677 -4.300 8.556 -2.375 1.00 54.04 C ATOM 1455 C GLN A 677 -4.196 7.258 -1.585 1.00 12.42 C ATOM 1456 O GLN A 677 -3.119 6.687 -1.511 1.00 21.55 O ATOM 1457 CB GLN A 677 -4.105 8.246 -3.851 1.00 35.53 C ATOM 1458 CG GLN A 677 -5.304 7.630 -4.507 1.00 32.24 C ATOM 1459 CD GLN A 677 -6.372 8.640 -4.909 1.00 22.33 C ATOM 1460 OE1 GLN A 677 -7.543 8.327 -4.918 1.00 12.43 O ATOM 1461 NE2 GLN A 677 -5.974 9.825 -5.307 1.00 12.02 N ATOM 0 H GLN A 677 -2.305 9.120 -2.292 1.00 45.20 H new ATOM 0 HA GLN A 677 -5.268 9.033 -2.218 1.00 54.04 H new ATOM 0 HB2 GLN A 677 -3.850 9.167 -4.375 1.00 35.53 H new ATOM 0 HB3 GLN A 677 -3.256 7.571 -3.961 1.00 35.53 H new ATOM 0 HG2 GLN A 677 -4.981 7.084 -5.394 1.00 32.24 H new ATOM 0 HG3 GLN A 677 -5.744 6.901 -3.827 1.00 32.24 H new ATOM 0 HE21 GLN A 677 -4.982 10.063 -5.289 1.00 12.02 H new ATOM 0 HE22 GLN A 677 -6.656 10.509 -5.634 1.00 12.02 H new ATOM 1470 N LEU A 678 -5.265 6.801 -0.992 1.00 64.33 N ATOM 1471 CA LEU A 678 -5.182 5.594 -0.175 1.00 60.02 C ATOM 1472 C LEU A 678 -6.171 4.552 -0.644 1.00 23.52 C ATOM 1473 O LEU A 678 -7.359 4.827 -0.748 1.00 34.14 O ATOM 1474 CB LEU A 678 -5.471 5.870 1.332 1.00 72.41 C ATOM 1475 CG LEU A 678 -4.655 6.942 2.075 1.00 44.24 C ATOM 1476 CD1 LEU A 678 -3.186 6.684 1.955 1.00 71.10 C ATOM 1477 CD2 LEU A 678 -5.019 8.351 1.640 1.00 13.43 C ATOM 0 H LEU A 678 -6.191 7.226 -1.049 1.00 64.33 H new ATOM 0 HA LEU A 678 -4.159 5.235 -0.285 1.00 60.02 H new ATOM 0 HB2 LEU A 678 -6.523 6.142 1.419 1.00 72.41 H new ATOM 0 HB3 LEU A 678 -5.340 4.930 1.868 1.00 72.41 H new ATOM 0 HG LEU A 678 -4.918 6.869 3.130 1.00 44.24 H new ATOM 0 HD11 LEU A 678 -2.636 7.458 2.490 1.00 71.10 H new ATOM 0 HD12 LEU A 678 -2.951 5.710 2.384 1.00 71.10 H new ATOM 0 HD13 LEU A 678 -2.899 6.696 0.903 1.00 71.10 H new ATOM 0 HD21 LEU A 678 -4.415 9.070 2.194 1.00 13.43 H new ATOM 0 HD22 LEU A 678 -4.828 8.463 0.573 1.00 13.43 H new ATOM 0 HD23 LEU A 678 -6.075 8.533 1.841 1.00 13.43 H new ATOM 1489 N ILE A 679 -5.693 3.373 -0.931 1.00 1.41 N ATOM 1490 CA ILE A 679 -6.578 2.272 -1.233 1.00 4.41 C ATOM 1491 C ILE A 679 -6.543 1.341 -0.056 1.00 70.21 C ATOM 1492 O ILE A 679 -5.470 0.863 0.332 1.00 24.43 O ATOM 1493 CB ILE A 679 -6.240 1.453 -2.546 1.00 44.30 C ATOM 1494 CG1 ILE A 679 -6.345 2.297 -3.827 1.00 41.20 C ATOM 1495 CG2 ILE A 679 -7.159 0.242 -2.675 1.00 43.22 C ATOM 1496 CD1 ILE A 679 -5.300 3.356 -3.976 1.00 75.10 C ATOM 0 H ILE A 679 -4.699 3.146 -0.963 1.00 1.41 H new ATOM 0 HA ILE A 679 -7.560 2.706 -1.423 1.00 4.41 H new ATOM 0 HB ILE A 679 -5.203 1.134 -2.442 1.00 44.30 H new ATOM 0 HG12 ILE A 679 -6.290 1.631 -4.688 1.00 41.20 H new ATOM 0 HG13 ILE A 679 -7.326 2.771 -3.852 1.00 41.20 H new ATOM 0 HG21 ILE A 679 -6.911 -0.308 -3.583 1.00 43.22 H new ATOM 0 HG22 ILE A 679 -7.028 -0.408 -1.810 1.00 43.22 H new ATOM 0 HG23 ILE A 679 -8.196 0.575 -2.724 1.00 43.22 H new ATOM 0 HD11 ILE A 679 -5.459 3.896 -4.910 1.00 75.10 H new ATOM 0 HD12 ILE A 679 -5.365 4.051 -3.139 1.00 75.10 H new ATOM 0 HD13 ILE A 679 -4.313 2.894 -3.988 1.00 75.10 H new ATOM 1508 N VAL A 680 -7.673 1.106 0.518 1.00 74.01 N ATOM 1509 CA VAL A 680 -7.791 0.227 1.645 1.00 41.43 C ATOM 1510 C VAL A 680 -8.786 -0.866 1.332 1.00 52.44 C ATOM 1511 O VAL A 680 -9.607 -0.731 0.406 1.00 24.33 O ATOM 1512 CB VAL A 680 -8.232 0.983 2.945 1.00 32.21 C ATOM 1513 CG1 VAL A 680 -7.139 1.922 3.427 1.00 23.24 C ATOM 1514 CG2 VAL A 680 -9.525 1.763 2.716 1.00 3.23 C ATOM 0 H VAL A 680 -8.556 1.521 0.219 1.00 74.01 H new ATOM 0 HA VAL A 680 -6.806 -0.200 1.833 1.00 41.43 H new ATOM 0 HB VAL A 680 -8.411 0.232 3.714 1.00 32.21 H new ATOM 0 HG11 VAL A 680 -7.471 2.434 4.330 1.00 23.24 H new ATOM 0 HG12 VAL A 680 -6.237 1.349 3.645 1.00 23.24 H new ATOM 0 HG13 VAL A 680 -6.923 2.657 2.652 1.00 23.24 H new ATOM 0 HG21 VAL A 680 -9.807 2.277 3.635 1.00 3.23 H new ATOM 0 HG22 VAL A 680 -9.373 2.495 1.922 1.00 3.23 H new ATOM 0 HG23 VAL A 680 -10.319 1.074 2.427 1.00 3.23 H new ATOM 1524 N ALA A 681 -8.723 -1.924 2.075 1.00 61.42 N ATOM 1525 CA ALA A 681 -9.627 -3.013 1.917 1.00 3.12 C ATOM 1526 C ALA A 681 -10.534 -3.037 3.126 1.00 4.25 C ATOM 1527 O ALA A 681 -10.067 -3.095 4.277 1.00 24.50 O ATOM 1528 CB ALA A 681 -8.865 -4.324 1.794 1.00 43.33 C ATOM 0 H ALA A 681 -8.034 -2.056 2.816 1.00 61.42 H new ATOM 0 HA ALA A 681 -10.214 -2.889 1.007 1.00 3.12 H new ATOM 0 HB1 ALA A 681 -9.571 -5.145 1.674 1.00 43.33 H new ATOM 0 HB2 ALA A 681 -8.206 -4.282 0.927 1.00 43.33 H new ATOM 0 HB3 ALA A 681 -8.271 -4.485 2.693 1.00 43.33 H new ATOM 1534 N ARG A 682 -11.808 -2.994 2.873 1.00 75.24 N ATOM 1535 CA ARG A 682 -12.798 -2.893 3.919 1.00 22.35 C ATOM 1536 C ARG A 682 -13.735 -4.080 3.896 1.00 22.34 C ATOM 1537 O ARG A 682 -14.183 -4.499 2.835 1.00 72.14 O ATOM 1538 CB ARG A 682 -13.513 -1.525 3.804 1.00 63.34 C ATOM 1539 CG ARG A 682 -14.140 -1.235 2.437 1.00 72.24 C ATOM 1540 CD ARG A 682 -15.581 -1.711 2.316 1.00 1.33 C ATOM 1541 NE ARG A 682 -16.504 -0.842 3.064 1.00 22.24 N ATOM 1542 CZ ARG A 682 -17.841 -0.787 2.856 1.00 25.25 C ATOM 1543 NH1 ARG A 682 -18.406 -1.514 1.891 1.00 50.23 N ATOM 1544 NH2 ARG A 682 -18.598 0.028 3.582 1.00 71.14 N ATOM 0 H ARG A 682 -12.198 -3.028 1.931 1.00 75.24 H new ATOM 0 HA ARG A 682 -12.322 -2.928 4.899 1.00 22.35 H new ATOM 0 HB2 ARG A 682 -14.294 -1.475 4.563 1.00 63.34 H new ATOM 0 HB3 ARG A 682 -12.796 -0.737 4.032 1.00 63.34 H new ATOM 0 HG2 ARG A 682 -14.103 -0.162 2.250 1.00 72.24 H new ATOM 0 HG3 ARG A 682 -13.541 -1.714 1.663 1.00 72.24 H new ATOM 0 HD2 ARG A 682 -15.871 -1.732 1.265 1.00 1.33 H new ATOM 0 HD3 ARG A 682 -15.660 -2.732 2.688 1.00 1.33 H new ATOM 0 HE ARG A 682 -16.110 -0.241 3.788 1.00 22.24 H new ATOM 0 HH11 ARG A 682 -17.830 -2.117 1.303 1.00 50.23 H new ATOM 0 HH12 ARG A 682 -19.414 -1.467 1.741 1.00 50.23 H new ATOM 0 HH21 ARG A 682 -18.173 0.615 4.299 1.00 71.14 H new ATOM 0 HH22 ARG A 682 -19.605 0.066 3.422 1.00 71.14 H new ATOM 1839 N GLU B 780 4.174 -3.234 15.460 1.00 11.43 N ATOM 1840 CA GLU B 780 4.430 -1.930 14.966 1.00 51.14 C ATOM 1841 C GLU B 780 3.206 -1.141 14.751 1.00 33.23 C ATOM 1842 O GLU B 780 2.291 -1.550 14.038 1.00 31.04 O ATOM 1843 CB GLU B 780 5.300 -1.936 13.730 1.00 11.40 C ATOM 1844 CG GLU B 780 6.715 -2.347 14.010 1.00 15.34 C ATOM 1845 CD GLU B 780 7.403 -1.408 14.972 1.00 42.11 C ATOM 1846 OE1 GLU B 780 7.839 -0.318 14.555 1.00 62.12 O ATOM 1847 OE2 GLU B 780 7.514 -1.740 16.160 1.00 35.22 O ATOM 0 HA GLU B 780 4.991 -1.432 15.757 1.00 51.14 H new ATOM 0 HB2 GLU B 780 4.870 -2.614 12.993 1.00 11.40 H new ATOM 0 HB3 GLU B 780 5.298 -0.940 13.286 1.00 11.40 H new ATOM 0 HG2 GLU B 780 6.724 -3.356 14.422 1.00 15.34 H new ATOM 0 HG3 GLU B 780 7.274 -2.380 13.075 1.00 15.34 H new ATOM 1854 N GLU B 781 3.199 -0.029 15.386 1.00 61.12 N ATOM 1855 CA GLU B 781 2.183 0.971 15.238 1.00 5.25 C ATOM 1856 C GLU B 781 2.823 2.193 14.670 1.00 31.11 C ATOM 1857 O GLU B 781 3.888 2.621 15.131 1.00 1.13 O ATOM 1858 CB GLU B 781 1.473 1.266 16.569 1.00 4.30 C ATOM 1859 CG GLU B 781 0.535 0.153 16.994 1.00 54.31 C ATOM 1860 CD GLU B 781 -0.019 0.270 18.388 1.00 41.44 C ATOM 1861 OE1 GLU B 781 0.748 0.191 19.350 1.00 61.31 O ATOM 1862 OE2 GLU B 781 -1.254 0.424 18.534 1.00 52.42 O ATOM 0 H GLU B 781 3.926 0.230 16.053 1.00 61.12 H new ATOM 0 HA GLU B 781 1.407 0.611 14.562 1.00 5.25 H new ATOM 0 HB2 GLU B 781 2.220 1.422 17.347 1.00 4.30 H new ATOM 0 HB3 GLU B 781 0.910 2.195 16.477 1.00 4.30 H new ATOM 0 HG2 GLU B 781 -0.298 0.116 16.292 1.00 54.31 H new ATOM 0 HG3 GLU B 781 1.064 -0.796 16.911 1.00 54.31 H new ATOM 1869 N LEU B 782 2.221 2.725 13.664 1.00 12.54 N ATOM 1870 CA LEU B 782 2.726 3.846 12.987 1.00 32.11 C ATOM 1871 C LEU B 782 1.656 4.901 12.852 1.00 43.21 C ATOM 1872 O LEU B 782 0.547 4.617 12.427 1.00 72.24 O ATOM 1873 CB LEU B 782 3.188 3.397 11.613 1.00 1.30 C ATOM 1874 CG LEU B 782 3.630 4.472 10.674 1.00 33.24 C ATOM 1875 CD1 LEU B 782 4.852 5.166 11.205 1.00 71.33 C ATOM 1876 CD2 LEU B 782 3.861 3.900 9.304 1.00 25.02 C ATOM 0 H LEU B 782 1.340 2.375 13.287 1.00 12.54 H new ATOM 0 HA LEU B 782 3.558 4.276 13.545 1.00 32.11 H new ATOM 0 HB2 LEU B 782 4.013 2.697 11.743 1.00 1.30 H new ATOM 0 HB3 LEU B 782 2.374 2.846 11.142 1.00 1.30 H new ATOM 0 HG LEU B 782 2.842 5.221 10.592 1.00 33.24 H new ATOM 0 HD11 LEU B 782 5.159 5.946 10.508 1.00 71.33 H new ATOM 0 HD12 LEU B 782 4.625 5.613 12.173 1.00 71.33 H new ATOM 0 HD13 LEU B 782 5.660 4.443 11.320 1.00 71.33 H new ATOM 0 HD21 LEU B 782 4.183 4.693 8.628 1.00 25.02 H new ATOM 0 HD22 LEU B 782 4.633 3.132 9.356 1.00 25.02 H new ATOM 0 HD23 LEU B 782 2.935 3.460 8.933 1.00 25.02 H new ATOM 1888 N ILE B 783 1.973 6.091 13.232 1.00 72.22 N ATOM 1889 CA ILE B 783 1.068 7.197 13.037 1.00 21.53 C ATOM 1890 C ILE B 783 1.427 7.916 11.761 1.00 34.42 C ATOM 1891 O ILE B 783 2.564 8.375 11.590 1.00 3.20 O ATOM 1892 CB ILE B 783 1.025 8.224 14.232 1.00 22.51 C ATOM 1893 CG1 ILE B 783 0.435 7.602 15.519 1.00 73.11 C ATOM 1894 CG2 ILE B 783 0.235 9.490 13.850 1.00 62.03 C ATOM 1895 CD1 ILE B 783 1.275 6.519 16.171 1.00 41.42 C ATOM 0 H ILE B 783 2.855 6.335 13.683 1.00 72.22 H new ATOM 0 HA ILE B 783 0.068 6.766 12.981 1.00 21.53 H new ATOM 0 HB ILE B 783 2.059 8.500 14.439 1.00 22.51 H new ATOM 0 HG12 ILE B 783 0.275 8.399 16.245 1.00 73.11 H new ATOM 0 HG13 ILE B 783 -0.544 7.184 15.283 1.00 73.11 H new ATOM 0 HG21 ILE B 783 0.223 10.180 14.694 1.00 62.03 H new ATOM 0 HG22 ILE B 783 0.710 9.971 12.995 1.00 62.03 H new ATOM 0 HG23 ILE B 783 -0.788 9.216 13.590 1.00 62.03 H new ATOM 0 HD11 ILE B 783 0.768 6.153 17.064 1.00 41.42 H new ATOM 0 HD12 ILE B 783 1.415 5.696 15.470 1.00 41.42 H new ATOM 0 HD13 ILE B 783 2.246 6.929 16.448 1.00 41.42 H new ATOM 1907 N ILE B 784 0.482 8.001 10.880 1.00 32.44 N ATOM 1908 CA ILE B 784 0.633 8.668 9.657 1.00 45.41 C ATOM 1909 C ILE B 784 -0.300 9.856 9.651 1.00 11.52 C ATOM 1910 O ILE B 784 0.138 10.945 10.001 1.00 38.53 O ATOM 1911 CB ILE B 784 0.411 7.740 8.413 1.00 24.31 C ATOM 1912 CG1 ILE B 784 -0.921 6.969 8.468 1.00 1.23 C ATOM 1913 CG2 ILE B 784 1.588 6.791 8.224 1.00 30.31 C ATOM 1914 CD1 ILE B 784 -1.217 6.207 7.202 1.00 12.53 C ATOM 1915 OXT ILE B 784 -1.465 9.713 9.341 1.00 38.53 O ATOM 0 H ILE B 784 -0.442 7.589 11.011 1.00 32.44 H new ATOM 0 HA ILE B 784 1.666 9.003 9.567 1.00 45.41 H new ATOM 0 HB ILE B 784 0.350 8.395 7.544 1.00 24.31 H new ATOM 0 HG12 ILE B 784 -0.896 6.273 9.306 1.00 1.23 H new ATOM 0 HG13 ILE B 784 -1.732 7.671 8.660 1.00 1.23 H new ATOM 0 HG21 ILE B 784 1.409 6.158 7.355 1.00 30.31 H new ATOM 0 HG22 ILE B 784 2.500 7.368 8.071 1.00 30.31 H new ATOM 0 HG23 ILE B 784 1.698 6.167 9.111 1.00 30.31 H new ATOM 0 HD11 ILE B 784 -2.169 5.686 7.305 1.00 12.53 H new ATOM 0 HD12 ILE B 784 -1.273 6.902 6.364 1.00 12.53 H new ATOM 0 HD13 ILE B 784 -0.424 5.482 7.020 1.00 12.53 H new