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 Set 1.1: A 653 LYS NZ :NH3+ -151:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 661 THR OG1 : rot 73:sc= 2.02 USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= -0.708 K(o=-0.71,f=-5.8!) USER MOD Single : A 596 SER OG : rot -107:sc= 0 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot -10:sc= -1.22 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -0.048 K(o=-0.048,f=-4.3!) USER MOD Single : A 610 SER OG : rot 180:sc= -0.126 USER MOD Single : A 622 LYS NZ :NH3+ -122:sc= -0.61 (180deg=-1.45!) USER MOD Single : A 623 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 626 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.7!) USER MOD Single : A 631 SER OG : rot 50:sc= -0.103 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 ASN : amide:sc= -0.287 K(o=-0.29,f=-0.99) USER MOD Single : A 641 GLN : amide:sc= -0.791 K(o=-0.79,f=-3.1!) USER MOD Single : A 646 ASN : amide:sc= -3.61! C(o=-3.6!,f=-14!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 655 ASN : amide:sc= -2.98! C(o=-3!,f=-3.2!) USER MOD Single : A 656 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 659 MET CE :methyl 171:sc= 0 (180deg=-0.0827) USER MOD Single : A 665 SER OG : rot -78:sc= 1.13 USER MOD Single : A 666 MET CE :methyl 160:sc= -3.55! (180deg=-5.23!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 81:sc= 0.0732 USER MOD Single : A 671 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl 159:sc= -0.227 (180deg=-0.752) USER MOD Single : A 677 GLN : amide:sc= 0.226 K(o=0.23,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -12.988 -5.778 -0.973 1.00 31.12 N ATOM 79 CA GLU A 585 -13.068 -4.775 -2.006 1.00 71.13 C ATOM 80 C GLU A 585 -12.096 -3.668 -1.683 1.00 63.22 C ATOM 81 O GLU A 585 -11.677 -3.526 -0.528 1.00 52.20 O ATOM 82 CB GLU A 585 -14.479 -4.193 -2.122 1.00 3.02 C ATOM 83 CG GLU A 585 -14.923 -3.396 -0.907 1.00 73.54 C ATOM 84 CD GLU A 585 -16.246 -2.715 -1.110 1.00 42.43 C ATOM 85 OE1 GLU A 585 -16.365 -1.909 -2.058 1.00 73.32 O ATOM 86 OE2 GLU A 585 -17.181 -2.970 -0.333 1.00 53.33 O ATOM 0 HA GLU A 585 -12.821 -5.242 -2.959 1.00 71.13 H new ATOM 0 HB2 GLU A 585 -14.524 -3.550 -3.001 1.00 3.02 H new ATOM 0 HB3 GLU A 585 -15.184 -5.008 -2.286 1.00 3.02 H new ATOM 0 HG2 GLU A 585 -14.990 -4.061 -0.046 1.00 73.54 H new ATOM 0 HG3 GLU A 585 -14.166 -2.647 -0.673 1.00 73.54 H new ATOM 93 N PHE A 586 -11.743 -2.887 -2.674 1.00 21.23 N ATOM 94 CA PHE A 586 -10.806 -1.799 -2.481 1.00 45.41 C ATOM 95 C PHE A 586 -11.525 -0.464 -2.502 1.00 74.50 C ATOM 96 O PHE A 586 -12.290 -0.176 -3.423 1.00 11.43 O ATOM 97 CB PHE A 586 -9.706 -1.793 -3.563 1.00 21.31 C ATOM 98 CG PHE A 586 -8.730 -2.953 -3.532 1.00 23.54 C ATOM 99 CD1 PHE A 586 -8.873 -4.001 -2.635 1.00 74.32 C ATOM 100 CD2 PHE A 586 -7.658 -2.979 -4.409 1.00 54.12 C ATOM 101 CE1 PHE A 586 -7.983 -5.043 -2.613 1.00 22.51 C ATOM 102 CE2 PHE A 586 -6.759 -4.023 -4.395 1.00 51.33 C ATOM 103 CZ PHE A 586 -6.922 -5.060 -3.494 1.00 52.22 C ATOM 0 H PHE A 586 -12.090 -2.982 -3.628 1.00 21.23 H new ATOM 0 HA PHE A 586 -10.338 -1.952 -1.508 1.00 45.41 H new ATOM 0 HB2 PHE A 586 -10.187 -1.776 -4.541 1.00 21.31 H new ATOM 0 HB3 PHE A 586 -9.140 -0.866 -3.471 1.00 21.31 H new ATOM 0 HD1 PHE A 586 -9.701 -3.996 -1.941 1.00 74.32 H new ATOM 0 HD2 PHE A 586 -7.525 -2.171 -5.113 1.00 54.12 H new ATOM 0 HE1 PHE A 586 -8.112 -5.850 -1.907 1.00 22.51 H new ATOM 0 HE2 PHE A 586 -5.929 -4.032 -5.086 1.00 51.33 H new ATOM 0 HZ PHE A 586 -6.220 -5.881 -3.481 1.00 52.22 H new ATOM 113 N LEU A 587 -11.302 0.323 -1.492 1.00 44.24 N ATOM 114 CA LEU A 587 -11.821 1.663 -1.435 1.00 11.21 C ATOM 115 C LEU A 587 -10.685 2.616 -1.614 1.00 50.44 C ATOM 116 O LEU A 587 -9.570 2.362 -1.149 1.00 64.53 O ATOM 117 CB LEU A 587 -12.558 1.990 -0.116 1.00 33.12 C ATOM 118 CG LEU A 587 -13.885 1.270 0.169 1.00 42.32 C ATOM 119 CD1 LEU A 587 -13.684 -0.211 0.393 1.00 41.25 C ATOM 120 CD2 LEU A 587 -14.582 1.909 1.352 1.00 4.32 C ATOM 0 H LEU A 587 -10.751 0.054 -0.677 1.00 44.24 H new ATOM 0 HA LEU A 587 -12.560 1.757 -2.230 1.00 11.21 H new ATOM 0 HB2 LEU A 587 -11.878 1.775 0.708 1.00 33.12 H new ATOM 0 HB3 LEU A 587 -12.750 3.063 -0.099 1.00 33.12 H new ATOM 0 HG LEU A 587 -14.520 1.376 -0.711 1.00 42.32 H new ATOM 0 HD11 LEU A 587 -14.646 -0.683 0.591 1.00 41.25 H new ATOM 0 HD12 LEU A 587 -13.238 -0.656 -0.496 1.00 41.25 H new ATOM 0 HD13 LEU A 587 -13.023 -0.364 1.246 1.00 41.25 H new ATOM 0 HD21 LEU A 587 -15.521 1.390 1.545 1.00 4.32 H new ATOM 0 HD22 LEU A 587 -13.942 1.840 2.232 1.00 4.32 H new ATOM 0 HD23 LEU A 587 -14.785 2.957 1.132 1.00 4.32 H new ATOM 132 N THR A 588 -10.941 3.677 -2.276 1.00 10.24 N ATOM 133 CA THR A 588 -9.933 4.646 -2.529 1.00 12.53 C ATOM 134 C THR A 588 -10.230 5.915 -1.748 1.00 74.35 C ATOM 135 O THR A 588 -11.319 6.486 -1.858 1.00 50.43 O ATOM 136 CB THR A 588 -9.853 4.946 -4.040 1.00 10.43 C ATOM 137 OG1 THR A 588 -9.650 3.707 -4.737 1.00 22.14 O ATOM 138 CG2 THR A 588 -8.699 5.890 -4.354 1.00 10.23 C ATOM 0 H THR A 588 -11.857 3.905 -2.662 1.00 10.24 H new ATOM 0 HA THR A 588 -8.969 4.253 -2.204 1.00 12.53 H new ATOM 0 HB THR A 588 -10.780 5.425 -4.355 1.00 10.43 H new ATOM 0 HG1 THR A 588 -9.598 3.878 -5.701 1.00 22.14 H new ATOM 0 HG21 THR A 588 -8.668 6.083 -5.426 1.00 10.23 H new ATOM 0 HG22 THR A 588 -8.842 6.830 -3.820 1.00 10.23 H new ATOM 0 HG23 THR A 588 -7.760 5.434 -4.040 1.00 10.23 H new ATOM 146 N PHE A 589 -9.297 6.315 -0.935 1.00 42.55 N ATOM 147 CA PHE A 589 -9.396 7.538 -0.188 1.00 30.33 C ATOM 148 C PHE A 589 -8.272 8.457 -0.589 1.00 44.40 C ATOM 149 O PHE A 589 -7.117 8.096 -0.470 1.00 62.12 O ATOM 150 CB PHE A 589 -9.336 7.259 1.316 1.00 21.32 C ATOM 151 CG PHE A 589 -10.541 6.541 1.800 1.00 10.35 C ATOM 152 CD1 PHE A 589 -11.757 7.168 1.745 1.00 35.35 C ATOM 153 CD2 PHE A 589 -10.475 5.247 2.288 1.00 10.41 C ATOM 154 CE1 PHE A 589 -12.889 6.547 2.159 1.00 52.23 C ATOM 155 CE2 PHE A 589 -11.621 4.600 2.713 1.00 3.15 C ATOM 156 CZ PHE A 589 -12.836 5.255 2.649 1.00 31.14 C ATOM 0 H PHE A 589 -8.435 5.796 -0.769 1.00 42.55 H new ATOM 0 HA PHE A 589 -10.353 8.012 -0.408 1.00 30.33 H new ATOM 0 HB2 PHE A 589 -8.448 6.667 1.539 1.00 21.32 H new ATOM 0 HB3 PHE A 589 -9.235 8.201 1.855 1.00 21.32 H new ATOM 0 HD1 PHE A 589 -11.816 8.177 1.364 1.00 35.35 H new ATOM 0 HD2 PHE A 589 -9.523 4.740 2.337 1.00 10.41 H new ATOM 0 HE1 PHE A 589 -13.836 7.064 2.106 1.00 52.23 H new ATOM 0 HE2 PHE A 589 -11.567 3.590 3.092 1.00 3.15 H new ATOM 0 HZ PHE A 589 -13.738 4.761 2.979 1.00 31.14 H new ATOM 166 N GLU A 590 -8.595 9.609 -1.100 1.00 74.33 N ATOM 167 CA GLU A 590 -7.577 10.562 -1.474 1.00 10.33 C ATOM 168 C GLU A 590 -7.593 11.713 -0.503 1.00 11.21 C ATOM 169 O GLU A 590 -8.576 12.439 -0.391 1.00 1.33 O ATOM 170 CB GLU A 590 -7.736 11.042 -2.914 1.00 2.45 C ATOM 171 CG GLU A 590 -7.699 9.914 -3.943 1.00 14.13 C ATOM 172 CD GLU A 590 -7.769 10.405 -5.369 1.00 50.43 C ATOM 173 OE1 GLU A 590 -8.841 10.863 -5.796 1.00 52.14 O ATOM 174 OE2 GLU A 590 -6.753 10.314 -6.096 1.00 63.41 O ATOM 0 H GLU A 590 -9.553 9.916 -1.269 1.00 74.33 H new ATOM 0 HA GLU A 590 -6.607 10.067 -1.427 1.00 10.33 H new ATOM 0 HB2 GLU A 590 -8.681 11.577 -3.007 1.00 2.45 H new ATOM 0 HB3 GLU A 590 -6.943 11.755 -3.140 1.00 2.45 H new ATOM 0 HG2 GLU A 590 -6.783 9.339 -3.809 1.00 14.13 H new ATOM 0 HG3 GLU A 590 -8.532 9.235 -3.758 1.00 14.13 H new ATOM 181 N VAL A 591 -6.530 11.851 0.196 1.00 65.33 N ATOM 182 CA VAL A 591 -6.403 12.829 1.242 1.00 51.10 C ATOM 183 C VAL A 591 -5.520 13.956 0.762 1.00 12.50 C ATOM 184 O VAL A 591 -4.363 13.738 0.467 1.00 43.25 O ATOM 185 CB VAL A 591 -5.743 12.179 2.491 1.00 52.53 C ATOM 186 CG1 VAL A 591 -5.578 13.174 3.625 1.00 24.44 C ATOM 187 CG2 VAL A 591 -6.555 11.000 2.957 1.00 32.33 C ATOM 0 H VAL A 591 -5.696 11.279 0.064 1.00 65.33 H new ATOM 0 HA VAL A 591 -7.392 13.207 1.502 1.00 51.10 H new ATOM 0 HB VAL A 591 -4.749 11.841 2.196 1.00 52.53 H new ATOM 0 HG11 VAL A 591 -5.113 12.680 4.478 1.00 24.44 H new ATOM 0 HG12 VAL A 591 -4.947 13.999 3.296 1.00 24.44 H new ATOM 0 HG13 VAL A 591 -6.555 13.559 3.917 1.00 24.44 H new ATOM 0 HG21 VAL A 591 -6.081 10.555 3.832 1.00 32.33 H new ATOM 0 HG22 VAL A 591 -7.560 11.331 3.218 1.00 32.33 H new ATOM 0 HG23 VAL A 591 -6.612 10.259 2.159 1.00 32.33 H new ATOM 197 N PRO A 592 -6.039 15.161 0.660 1.00 43.43 N ATOM 198 CA PRO A 592 -5.236 16.303 0.278 1.00 61.13 C ATOM 199 C PRO A 592 -4.318 16.695 1.422 1.00 64.13 C ATOM 200 O PRO A 592 -4.656 16.486 2.598 1.00 72.10 O ATOM 201 CB PRO A 592 -6.264 17.392 -0.004 1.00 3.22 C ATOM 202 CG PRO A 592 -7.430 17.025 0.830 1.00 45.13 C ATOM 203 CD PRO A 592 -7.447 15.525 0.896 1.00 30.03 C ATOM 0 HA PRO A 592 -4.592 16.113 -0.580 1.00 61.13 H new ATOM 0 HB2 PRO A 592 -5.881 18.378 0.261 1.00 3.22 H new ATOM 0 HB3 PRO A 592 -6.527 17.426 -1.061 1.00 3.22 H new ATOM 0 HG2 PRO A 592 -7.346 17.457 1.827 1.00 45.13 H new ATOM 0 HG3 PRO A 592 -8.354 17.405 0.395 1.00 45.13 H new ATOM 0 HD2 PRO A 592 -7.798 15.169 1.864 1.00 30.03 H new ATOM 0 HD3 PRO A 592 -8.106 15.096 0.141 1.00 30.03 H new ATOM 211 N LEU A 593 -3.160 17.220 1.102 1.00 14.41 N ATOM 212 CA LEU A 593 -2.214 17.626 2.127 1.00 45.15 C ATOM 213 C LEU A 593 -2.626 18.932 2.770 1.00 24.32 C ATOM 214 O LEU A 593 -2.045 19.998 2.523 1.00 62.13 O ATOM 215 CB LEU A 593 -0.739 17.651 1.644 1.00 21.25 C ATOM 216 CG LEU A 593 -0.020 16.294 1.438 1.00 15.22 C ATOM 217 CD1 LEU A 593 0.041 15.522 2.735 1.00 12.11 C ATOM 218 CD2 LEU A 593 -0.672 15.455 0.361 1.00 2.31 C ATOM 0 H LEU A 593 -2.846 17.378 0.145 1.00 14.41 H new ATOM 0 HA LEU A 593 -2.249 16.850 2.892 1.00 45.15 H new ATOM 0 HB2 LEU A 593 -0.706 18.194 0.699 1.00 21.25 H new ATOM 0 HB3 LEU A 593 -0.161 18.230 2.365 1.00 21.25 H new ATOM 0 HG LEU A 593 0.994 16.519 1.106 1.00 15.22 H new ATOM 0 HD11 LEU A 593 0.549 14.572 2.569 1.00 12.11 H new ATOM 0 HD12 LEU A 593 0.588 16.102 3.478 1.00 12.11 H new ATOM 0 HD13 LEU A 593 -0.971 15.334 3.094 1.00 12.11 H new ATOM 0 HD21 LEU A 593 -0.131 14.515 0.255 1.00 2.31 H new ATOM 0 HD22 LEU A 593 -1.707 15.250 0.636 1.00 2.31 H new ATOM 0 HD23 LEU A 593 -0.649 15.995 -0.585 1.00 2.31 H new ATOM 230 N ASN A 594 -3.670 18.840 3.546 1.00 24.45 N ATOM 231 CA ASN A 594 -4.272 19.975 4.234 1.00 20.30 C ATOM 232 C ASN A 594 -4.302 19.672 5.703 1.00 12.31 C ATOM 233 O ASN A 594 -4.733 18.590 6.098 1.00 35.53 O ATOM 234 CB ASN A 594 -5.723 20.243 3.736 1.00 50.22 C ATOM 235 CG ASN A 594 -5.839 20.613 2.252 1.00 34.34 C ATOM 236 OD1 ASN A 594 -5.057 20.189 1.422 1.00 40.11 O ATOM 237 ND2 ASN A 594 -6.835 21.395 1.913 1.00 42.14 N ATOM 0 H ASN A 594 -4.146 17.957 3.730 1.00 24.45 H new ATOM 0 HA ASN A 594 -3.679 20.866 4.028 1.00 20.30 H new ATOM 0 HB2 ASN A 594 -6.325 19.354 3.922 1.00 50.22 H new ATOM 0 HB3 ASN A 594 -6.153 21.049 4.331 1.00 50.22 H new ATOM 0 HD21 ASN A 594 -6.966 21.659 0.937 1.00 42.14 H new ATOM 0 HD22 ASN A 594 -7.479 21.739 2.626 1.00 42.14 H new ATOM 244 N ASP A 595 -3.807 20.602 6.520 1.00 60.43 N ATOM 245 CA ASP A 595 -3.728 20.426 7.996 1.00 52.33 C ATOM 246 C ASP A 595 -2.804 19.276 8.328 1.00 12.05 C ATOM 247 O ASP A 595 -2.839 18.708 9.421 1.00 71.33 O ATOM 248 CB ASP A 595 -5.126 20.222 8.637 1.00 13.35 C ATOM 249 CG ASP A 595 -6.021 21.442 8.519 1.00 23.24 C ATOM 250 OD1 ASP A 595 -5.996 22.307 9.428 1.00 4.14 O ATOM 251 OD2 ASP A 595 -6.759 21.568 7.512 1.00 34.00 O ATOM 0 H ASP A 595 -3.448 21.499 6.193 1.00 60.43 H new ATOM 0 HA ASP A 595 -3.321 21.343 8.421 1.00 52.33 H new ATOM 0 HB2 ASP A 595 -5.616 19.372 8.162 1.00 13.35 H new ATOM 0 HB3 ASP A 595 -5.003 19.970 9.690 1.00 13.35 H new ATOM 256 N SER A 596 -1.944 18.987 7.393 1.00 13.32 N ATOM 257 CA SER A 596 -1.026 17.917 7.486 1.00 35.14 C ATOM 258 C SER A 596 0.327 18.481 7.839 1.00 40.13 C ATOM 259 O SER A 596 0.927 19.244 7.081 1.00 12.30 O ATOM 260 CB SER A 596 -0.979 17.197 6.147 1.00 40.35 C ATOM 261 OG SER A 596 -2.297 16.853 5.723 1.00 25.52 O ATOM 0 H SER A 596 -1.870 19.514 6.523 1.00 13.32 H new ATOM 0 HA SER A 596 -1.327 17.206 8.255 1.00 35.14 H new ATOM 0 HB2 SER A 596 -0.504 17.834 5.401 1.00 40.35 H new ATOM 0 HB3 SER A 596 -0.370 16.297 6.232 1.00 40.35 H new ATOM 0 HG SER A 596 -2.430 15.887 5.821 1.00 25.52 H new ATOM 267 N GLY A 597 0.760 18.139 8.992 1.00 74.43 N ATOM 268 CA GLY A 597 2.016 18.589 9.508 1.00 3.35 C ATOM 269 C GLY A 597 2.166 18.103 10.903 1.00 14.20 C ATOM 270 O GLY A 597 3.204 17.568 11.285 1.00 3.10 O ATOM 0 H GLY A 597 0.248 17.525 9.626 1.00 74.43 H new ATOM 0 HA2 GLY A 597 2.833 18.217 8.889 1.00 3.35 H new ATOM 0 HA3 GLY A 597 2.066 19.677 9.481 1.00 3.35 H new ATOM 274 N SER A 598 1.109 18.278 11.672 1.00 72.15 N ATOM 275 CA SER A 598 1.052 17.773 13.023 1.00 71.32 C ATOM 276 C SER A 598 0.854 16.265 12.993 1.00 2.40 C ATOM 277 O SER A 598 1.311 15.528 13.877 1.00 11.42 O ATOM 278 CB SER A 598 -0.040 18.485 13.796 1.00 42.42 C ATOM 279 OG SER A 598 0.189 19.893 13.793 1.00 13.21 O ATOM 0 H SER A 598 0.269 18.774 11.375 1.00 72.15 H new ATOM 0 HA SER A 598 1.991 17.972 13.539 1.00 71.32 H new ATOM 0 HB2 SER A 598 -1.011 18.267 13.352 1.00 42.42 H new ATOM 0 HB3 SER A 598 -0.069 18.116 14.821 1.00 42.42 H new ATOM 0 HG SER A 598 -0.524 20.341 14.294 1.00 13.21 H new ATOM 285 N ALA A 599 0.204 15.836 11.966 1.00 13.43 N ATOM 286 CA ALA A 599 0.017 14.492 11.647 1.00 31.41 C ATOM 287 C ALA A 599 0.081 14.457 10.159 1.00 24.21 C ATOM 288 O ALA A 599 -0.277 15.458 9.512 1.00 14.35 O ATOM 289 CB ALA A 599 -1.323 13.998 12.147 1.00 73.43 C ATOM 0 H ALA A 599 -0.232 16.468 11.294 1.00 13.43 H new ATOM 0 HA ALA A 599 0.763 13.845 12.110 1.00 31.41 H new ATOM 0 HB1 ALA A 599 -1.444 12.947 11.885 1.00 73.43 H new ATOM 0 HB2 ALA A 599 -1.371 14.110 13.230 1.00 73.43 H new ATOM 0 HB3 ALA A 599 -2.121 14.581 11.686 1.00 73.43 H new ATOM 295 N GLY A 600 0.548 13.390 9.624 1.00 51.40 N ATOM 296 CA GLY A 600 0.702 13.269 8.202 1.00 65.00 C ATOM 297 C GLY A 600 -0.627 13.152 7.541 1.00 64.44 C ATOM 298 O GLY A 600 -0.959 13.930 6.653 1.00 21.43 O ATOM 0 H GLY A 600 0.838 12.567 10.152 1.00 51.40 H new ATOM 0 HA2 GLY A 600 1.233 14.138 7.813 1.00 65.00 H new ATOM 0 HA3 GLY A 600 1.309 12.394 7.969 1.00 65.00 H new ATOM 302 N LEU A 601 -1.376 12.172 7.950 1.00 65.40 N ATOM 303 CA LEU A 601 -2.729 12.009 7.494 1.00 62.12 C ATOM 304 C LEU A 601 -3.631 12.174 8.684 1.00 33.21 C ATOM 305 O LEU A 601 -4.763 12.681 8.581 1.00 1.31 O ATOM 306 CB LEU A 601 -2.966 10.612 6.876 1.00 63.11 C ATOM 307 CG LEU A 601 -2.073 10.194 5.705 1.00 42.24 C ATOM 308 CD1 LEU A 601 -2.659 9.008 4.962 1.00 30.15 C ATOM 309 CD2 LEU A 601 -1.801 11.332 4.766 1.00 63.21 C ATOM 0 H LEU A 601 -1.067 11.459 8.611 1.00 65.40 H new ATOM 0 HA LEU A 601 -2.933 12.750 6.721 1.00 62.12 H new ATOM 0 HB2 LEU A 601 -2.851 9.871 7.667 1.00 63.11 H new ATOM 0 HB3 LEU A 601 -4.002 10.564 6.542 1.00 63.11 H new ATOM 0 HG LEU A 601 -1.116 9.891 6.131 1.00 42.24 H new ATOM 0 HD11 LEU A 601 -2.002 8.735 4.136 1.00 30.15 H new ATOM 0 HD12 LEU A 601 -2.755 8.163 5.644 1.00 30.15 H new ATOM 0 HD13 LEU A 601 -3.642 9.273 4.571 1.00 30.15 H new ATOM 0 HD21 LEU A 601 -1.164 10.987 3.952 1.00 63.21 H new ATOM 0 HD22 LEU A 601 -2.742 11.701 4.359 1.00 63.21 H new ATOM 0 HD23 LEU A 601 -1.299 12.136 5.304 1.00 63.21 H new ATOM 321 N GLY A 602 -3.113 11.744 9.816 1.00 33.10 N ATOM 322 CA GLY A 602 -3.800 11.778 11.035 1.00 24.14 C ATOM 323 C GLY A 602 -4.561 10.510 11.205 1.00 70.43 C ATOM 324 O GLY A 602 -5.757 10.503 11.466 1.00 21.31 O ATOM 0 H GLY A 602 -2.173 11.355 9.887 1.00 33.10 H new ATOM 0 HA2 GLY A 602 -3.097 11.907 11.858 1.00 24.14 H new ATOM 0 HA3 GLY A 602 -4.480 12.630 11.059 1.00 24.14 H new ATOM 328 N VAL A 603 -3.864 9.414 10.992 1.00 31.54 N ATOM 329 CA VAL A 603 -4.405 8.101 11.183 1.00 4.31 C ATOM 330 C VAL A 603 -3.313 7.280 11.836 1.00 11.32 C ATOM 331 O VAL A 603 -2.136 7.587 11.690 1.00 34.13 O ATOM 332 CB VAL A 603 -4.775 7.404 9.823 1.00 60.30 C ATOM 333 CG1 VAL A 603 -5.572 6.141 10.044 1.00 32.21 C ATOM 334 CG2 VAL A 603 -5.482 8.335 8.863 1.00 30.51 C ATOM 0 H VAL A 603 -2.894 9.419 10.677 1.00 31.54 H new ATOM 0 HA VAL A 603 -5.314 8.174 11.780 1.00 4.31 H new ATOM 0 HB VAL A 603 -3.830 7.128 9.355 1.00 60.30 H new ATOM 0 HG11 VAL A 603 -5.809 5.687 9.082 1.00 32.21 H new ATOM 0 HG12 VAL A 603 -4.987 5.441 10.641 1.00 32.21 H new ATOM 0 HG13 VAL A 603 -6.496 6.381 10.569 1.00 32.21 H new ATOM 0 HG21 VAL A 603 -5.713 7.801 7.942 1.00 30.51 H new ATOM 0 HG22 VAL A 603 -6.406 8.692 9.317 1.00 30.51 H new ATOM 0 HG23 VAL A 603 -4.837 9.184 8.638 1.00 30.51 H new ATOM 344 N SER A 604 -3.675 6.289 12.561 1.00 65.23 N ATOM 345 CA SER A 604 -2.719 5.400 13.104 1.00 65.15 C ATOM 346 C SER A 604 -2.910 4.059 12.457 1.00 42.42 C ATOM 347 O SER A 604 -4.047 3.592 12.298 1.00 74.34 O ATOM 348 CB SER A 604 -2.880 5.291 14.615 1.00 15.15 C ATOM 349 OG SER A 604 -2.786 6.562 15.219 1.00 75.34 O ATOM 0 H SER A 604 -4.643 6.071 12.795 1.00 65.23 H new ATOM 0 HA SER A 604 -1.713 5.772 12.908 1.00 65.15 H new ATOM 0 HB2 SER A 604 -3.844 4.841 14.852 1.00 15.15 H new ATOM 0 HB3 SER A 604 -2.112 4.632 15.021 1.00 15.15 H new ATOM 0 HG SER A 604 -2.478 7.217 14.558 1.00 75.34 H new ATOM 355 N VAL A 605 -1.842 3.454 12.077 1.00 31.55 N ATOM 356 CA VAL A 605 -1.863 2.152 11.492 1.00 61.13 C ATOM 357 C VAL A 605 -0.979 1.198 12.239 1.00 64.15 C ATOM 358 O VAL A 605 -0.131 1.602 13.016 1.00 60.43 O ATOM 359 CB VAL A 605 -1.468 2.130 10.013 1.00 42.21 C ATOM 360 CG1 VAL A 605 -2.610 2.587 9.121 1.00 65.23 C ATOM 361 CG2 VAL A 605 -0.230 2.986 9.747 1.00 31.42 C ATOM 0 H VAL A 605 -0.908 3.854 12.164 1.00 31.55 H new ATOM 0 HA VAL A 605 -2.904 1.836 11.562 1.00 61.13 H new ATOM 0 HB VAL A 605 -1.232 1.094 9.770 1.00 42.21 H new ATOM 0 HG11 VAL A 605 -2.292 2.558 8.079 1.00 65.23 H new ATOM 0 HG12 VAL A 605 -3.466 1.926 9.258 1.00 65.23 H new ATOM 0 HG13 VAL A 605 -2.893 3.606 9.386 1.00 65.23 H new ATOM 0 HG21 VAL A 605 0.019 2.945 8.687 1.00 31.42 H new ATOM 0 HG22 VAL A 605 -0.433 4.018 10.033 1.00 31.42 H new ATOM 0 HG23 VAL A 605 0.608 2.606 10.332 1.00 31.42 H new ATOM 371 N LYS A 606 -1.203 -0.044 12.014 1.00 70.45 N ATOM 372 CA LYS A 606 -0.470 -1.109 12.634 1.00 30.33 C ATOM 373 C LYS A 606 -0.410 -2.264 11.692 1.00 54.21 C ATOM 374 O LYS A 606 -1.261 -2.396 10.829 1.00 13.14 O ATOM 375 CB LYS A 606 -1.079 -1.564 13.955 1.00 73.13 C ATOM 376 CG LYS A 606 -2.462 -2.184 13.845 1.00 74.53 C ATOM 377 CD LYS A 606 -2.890 -2.737 15.179 1.00 70.12 C ATOM 378 CE LYS A 606 -4.234 -3.435 15.103 1.00 25.43 C ATOM 379 NZ LYS A 606 -4.625 -4.025 16.409 1.00 61.12 N ATOM 0 H LYS A 606 -1.926 -0.369 11.372 1.00 70.45 H new ATOM 0 HA LYS A 606 0.527 -0.731 12.860 1.00 30.33 H new ATOM 0 HB2 LYS A 606 -0.408 -2.289 14.417 1.00 73.13 H new ATOM 0 HB3 LYS A 606 -1.134 -0.707 14.627 1.00 73.13 H new ATOM 0 HG2 LYS A 606 -3.178 -1.436 13.506 1.00 74.53 H new ATOM 0 HG3 LYS A 606 -2.454 -2.979 13.099 1.00 74.53 H new ATOM 0 HD2 LYS A 606 -2.137 -3.439 15.538 1.00 70.12 H new ATOM 0 HD3 LYS A 606 -2.943 -1.927 15.906 1.00 70.12 H new ATOM 0 HE2 LYS A 606 -4.995 -2.723 14.783 1.00 25.43 H new ATOM 0 HE3 LYS A 606 -4.194 -4.220 14.347 1.00 25.43 H new ATOM 0 HZ1 LYS A 606 -5.549 -4.493 16.316 1.00 61.12 H new ATOM 0 HZ2 LYS A 606 -3.912 -4.723 16.702 1.00 61.12 H new ATOM 0 HZ3 LYS A 606 -4.688 -3.273 17.125 1.00 61.12 H new ATOM 393 N GLY A 607 0.569 -3.068 11.821 1.00 64.34 N ATOM 394 CA GLY A 607 0.664 -4.185 10.964 1.00 72.13 C ATOM 395 C GLY A 607 0.286 -5.443 11.661 1.00 1.30 C ATOM 396 O GLY A 607 0.760 -5.725 12.767 1.00 73.24 O ATOM 0 H GLY A 607 1.316 -2.977 12.509 1.00 64.34 H new ATOM 0 HA2 GLY A 607 0.016 -4.038 10.100 1.00 72.13 H new ATOM 0 HA3 GLY A 607 1.683 -4.269 10.587 1.00 72.13 H new ATOM 400 N ASN A 608 -0.598 -6.175 11.051 1.00 45.45 N ATOM 401 CA ASN A 608 -1.005 -7.450 11.563 1.00 14.50 C ATOM 402 C ASN A 608 -0.264 -8.503 10.806 1.00 5.32 C ATOM 403 O ASN A 608 -0.333 -8.565 9.583 1.00 61.13 O ATOM 404 CB ASN A 608 -2.526 -7.683 11.427 1.00 31.22 C ATOM 405 CG ASN A 608 -3.402 -6.799 12.318 1.00 20.51 C ATOM 406 OD1 ASN A 608 -3.042 -5.681 12.681 1.00 2.30 O ATOM 407 ND2 ASN A 608 -4.571 -7.298 12.655 1.00 24.41 N ATOM 0 H ASN A 608 -1.059 -5.904 10.182 1.00 45.45 H new ATOM 0 HA ASN A 608 -0.776 -7.488 12.628 1.00 14.50 H new ATOM 0 HB2 ASN A 608 -2.811 -7.520 10.388 1.00 31.22 H new ATOM 0 HB3 ASN A 608 -2.740 -8.727 11.656 1.00 31.22 H new ATOM 0 HD21 ASN A 608 -5.210 -6.754 13.235 1.00 24.41 H new ATOM 0 HD22 ASN A 608 -4.839 -8.229 12.337 1.00 24.41 H new ATOM 414 N ARG A 609 0.463 -9.295 11.501 1.00 30.11 N ATOM 415 CA ARG A 609 1.220 -10.345 10.913 1.00 31.54 C ATOM 416 C ARG A 609 0.944 -11.628 11.628 1.00 34.24 C ATOM 417 O ARG A 609 0.596 -11.635 12.806 1.00 74.14 O ATOM 418 CB ARG A 609 2.702 -9.974 10.928 1.00 43.04 C ATOM 419 CG ARG A 609 3.664 -11.039 10.425 1.00 14.42 C ATOM 420 CD ARG A 609 5.052 -10.460 10.289 1.00 21.52 C ATOM 421 NE ARG A 609 5.525 -9.845 11.527 1.00 10.14 N ATOM 422 CZ ARG A 609 6.001 -8.596 11.614 1.00 72.11 C ATOM 423 NH1 ARG A 609 5.963 -7.790 10.564 1.00 21.34 N ATOM 424 NH2 ARG A 609 6.489 -8.141 12.756 1.00 40.33 N ATOM 0 H ARG A 609 0.553 -9.234 12.515 1.00 30.11 H new ATOM 0 HA ARG A 609 0.928 -10.487 9.872 1.00 31.54 H new ATOM 0 HB2 ARG A 609 2.837 -9.077 10.324 1.00 43.04 H new ATOM 0 HB3 ARG A 609 2.980 -9.715 11.950 1.00 43.04 H new ATOM 0 HG2 ARG A 609 3.679 -11.882 11.116 1.00 14.42 H new ATOM 0 HG3 ARG A 609 3.325 -11.421 9.462 1.00 14.42 H new ATOM 0 HD2 ARG A 609 5.743 -11.248 9.991 1.00 21.52 H new ATOM 0 HD3 ARG A 609 5.055 -9.716 9.493 1.00 21.52 H new ATOM 0 HE ARG A 609 5.491 -10.403 12.380 1.00 10.14 H new ATOM 0 HH11 ARG A 609 5.570 -8.119 9.682 1.00 21.34 H new ATOM 0 HH12 ARG A 609 6.327 -6.840 10.637 1.00 21.34 H new ATOM 0 HH21 ARG A 609 6.505 -8.743 13.580 1.00 40.33 H new ATOM 0 HH22 ARG A 609 6.849 -7.189 12.813 1.00 40.33 H new ATOM 438 N SER A 610 1.017 -12.692 10.908 1.00 34.04 N ATOM 439 CA SER A 610 0.814 -13.985 11.465 1.00 63.32 C ATOM 440 C SER A 610 2.097 -14.812 11.394 1.00 41.20 C ATOM 441 O SER A 610 2.420 -15.370 10.352 1.00 43.51 O ATOM 442 CB SER A 610 -0.329 -14.662 10.741 1.00 32.13 C ATOM 443 OG SER A 610 -1.515 -13.890 10.882 1.00 45.41 O ATOM 0 H SER A 610 1.221 -12.691 9.909 1.00 34.04 H new ATOM 0 HA SER A 610 0.553 -13.893 12.519 1.00 63.32 H new ATOM 0 HB2 SER A 610 -0.084 -14.779 9.685 1.00 32.13 H new ATOM 0 HB3 SER A 610 -0.485 -15.662 11.145 1.00 32.13 H new ATOM 0 HG SER A 610 -2.251 -14.332 10.410 1.00 45.41 H new ATOM 518 N ALA A 615 3.380 -15.000 7.473 1.00 42.21 N ATOM 519 CA ALA A 615 2.905 -14.053 6.508 1.00 0.20 C ATOM 520 C ALA A 615 2.331 -12.844 7.190 1.00 74.42 C ATOM 521 O ALA A 615 1.631 -12.961 8.206 1.00 50.31 O ATOM 522 CB ALA A 615 1.864 -14.698 5.608 1.00 33.10 C ATOM 0 HA ALA A 615 3.747 -13.732 5.895 1.00 0.20 H new ATOM 0 HB1 ALA A 615 1.511 -13.968 4.879 1.00 33.10 H new ATOM 0 HB2 ALA A 615 2.309 -15.546 5.087 1.00 33.10 H new ATOM 0 HB3 ALA A 615 1.025 -15.043 6.212 1.00 33.10 H new ATOM 528 N ASP A 616 2.637 -11.689 6.659 1.00 4.02 N ATOM 529 CA ASP A 616 2.090 -10.468 7.148 1.00 64.34 C ATOM 530 C ASP A 616 0.733 -10.364 6.536 1.00 55.24 C ATOM 531 O ASP A 616 0.554 -10.696 5.359 1.00 1.11 O ATOM 532 CB ASP A 616 2.928 -9.248 6.710 1.00 41.03 C ATOM 533 CG ASP A 616 4.408 -9.343 7.059 1.00 30.20 C ATOM 534 OD1 ASP A 616 5.106 -10.214 6.499 1.00 43.13 O ATOM 535 OD2 ASP A 616 4.909 -8.520 7.866 1.00 62.43 O ATOM 0 H ASP A 616 3.276 -11.577 5.872 1.00 4.02 H new ATOM 0 HA ASP A 616 2.072 -10.471 8.238 1.00 64.34 H new ATOM 0 HB2 ASP A 616 2.829 -9.123 5.632 1.00 41.03 H new ATOM 0 HB3 ASP A 616 2.514 -8.353 7.174 1.00 41.03 H new ATOM 540 N LEU A 617 -0.218 -9.948 7.292 1.00 14.03 N ATOM 541 CA LEU A 617 -1.556 -9.830 6.781 1.00 31.20 C ATOM 542 C LEU A 617 -1.708 -8.462 6.169 1.00 50.15 C ATOM 543 O LEU A 617 -2.632 -8.204 5.406 1.00 13.40 O ATOM 544 CB LEU A 617 -2.571 -10.052 7.895 1.00 34.00 C ATOM 545 CG LEU A 617 -2.441 -11.377 8.656 1.00 71.40 C ATOM 546 CD1 LEU A 617 -3.489 -11.470 9.734 1.00 24.41 C ATOM 547 CD2 LEU A 617 -2.533 -12.573 7.716 1.00 33.15 C ATOM 0 H LEU A 617 -0.105 -9.681 8.270 1.00 14.03 H new ATOM 0 HA LEU A 617 -1.739 -10.590 6.021 1.00 31.20 H new ATOM 0 HB2 LEU A 617 -2.484 -9.233 8.609 1.00 34.00 H new ATOM 0 HB3 LEU A 617 -3.572 -9.996 7.467 1.00 34.00 H new ATOM 0 HG LEU A 617 -1.456 -11.398 9.122 1.00 71.40 H new ATOM 0 HD11 LEU A 617 -3.383 -12.416 10.264 1.00 24.41 H new ATOM 0 HD12 LEU A 617 -3.364 -10.645 10.435 1.00 24.41 H new ATOM 0 HD13 LEU A 617 -4.480 -11.416 9.284 1.00 24.41 H new ATOM 0 HD21 LEU A 617 -2.437 -13.495 8.290 1.00 33.15 H new ATOM 0 HD22 LEU A 617 -3.496 -12.562 7.206 1.00 33.15 H new ATOM 0 HD23 LEU A 617 -1.732 -12.519 6.979 1.00 33.15 H new ATOM 559 N GLY A 618 -0.765 -7.610 6.491 1.00 75.25 N ATOM 560 CA GLY A 618 -0.753 -6.270 5.955 1.00 14.21 C ATOM 561 C GLY A 618 -0.833 -5.215 7.031 1.00 53.22 C ATOM 562 O GLY A 618 -0.724 -5.524 8.217 1.00 62.41 O ATOM 0 H GLY A 618 0.007 -7.821 7.124 1.00 75.25 H new ATOM 0 HA2 GLY A 618 0.157 -6.123 5.374 1.00 14.21 H new ATOM 0 HA3 GLY A 618 -1.592 -6.149 5.269 1.00 14.21 H new ATOM 566 N ILE A 619 -1.007 -3.978 6.618 1.00 72.43 N ATOM 567 CA ILE A 619 -1.105 -2.860 7.529 1.00 71.14 C ATOM 568 C ILE A 619 -2.567 -2.475 7.660 1.00 54.21 C ATOM 569 O ILE A 619 -3.239 -2.274 6.662 1.00 45.35 O ATOM 570 CB ILE A 619 -0.295 -1.636 7.009 1.00 72.41 C ATOM 571 CG1 ILE A 619 1.192 -1.985 6.818 1.00 24.53 C ATOM 572 CG2 ILE A 619 -0.437 -0.451 7.951 1.00 10.11 C ATOM 573 CD1 ILE A 619 1.922 -2.396 8.089 1.00 31.02 C ATOM 0 H ILE A 619 -1.085 -3.719 5.634 1.00 72.43 H new ATOM 0 HA ILE A 619 -0.692 -3.153 8.494 1.00 71.14 H new ATOM 0 HB ILE A 619 -0.708 -1.363 6.038 1.00 72.41 H new ATOM 0 HG12 ILE A 619 1.270 -2.796 6.093 1.00 24.53 H new ATOM 0 HG13 ILE A 619 1.700 -1.122 6.387 1.00 24.53 H new ATOM 0 HG21 ILE A 619 0.138 0.391 7.566 1.00 10.11 H new ATOM 0 HG22 ILE A 619 -1.487 -0.169 8.026 1.00 10.11 H new ATOM 0 HG23 ILE A 619 -0.064 -0.724 8.938 1.00 10.11 H new ATOM 0 HD11 ILE A 619 2.962 -2.622 7.854 1.00 31.02 H new ATOM 0 HD12 ILE A 619 1.882 -1.581 8.811 1.00 31.02 H new ATOM 0 HD13 ILE A 619 1.445 -3.280 8.513 1.00 31.02 H new ATOM 585 N PHE A 620 -3.038 -2.382 8.868 1.00 63.35 N ATOM 586 CA PHE A 620 -4.424 -2.083 9.139 1.00 52.53 C ATOM 587 C PHE A 620 -4.540 -0.832 10.002 1.00 22.33 C ATOM 588 O PHE A 620 -3.702 -0.596 10.884 1.00 2.43 O ATOM 589 CB PHE A 620 -5.085 -3.263 9.875 1.00 22.02 C ATOM 590 CG PHE A 620 -5.105 -4.571 9.117 1.00 2.12 C ATOM 591 CD1 PHE A 620 -3.997 -5.408 9.101 1.00 64.34 C ATOM 592 CD2 PHE A 620 -6.245 -4.973 8.437 1.00 24.13 C ATOM 593 CE1 PHE A 620 -4.032 -6.613 8.422 1.00 11.20 C ATOM 594 CE2 PHE A 620 -6.280 -6.172 7.754 1.00 65.51 C ATOM 595 CZ PHE A 620 -5.176 -6.994 7.751 1.00 53.24 C ATOM 0 H PHE A 620 -2.470 -2.512 9.705 1.00 63.35 H new ATOM 0 HA PHE A 620 -4.929 -1.913 8.188 1.00 52.53 H new ATOM 0 HB2 PHE A 620 -4.564 -3.418 10.820 1.00 22.02 H new ATOM 0 HB3 PHE A 620 -6.111 -2.988 10.119 1.00 22.02 H new ATOM 0 HD1 PHE A 620 -3.099 -5.115 9.624 1.00 64.34 H new ATOM 0 HD2 PHE A 620 -7.119 -4.338 8.442 1.00 24.13 H new ATOM 0 HE1 PHE A 620 -3.164 -7.255 8.417 1.00 11.20 H new ATOM 0 HE2 PHE A 620 -7.173 -6.465 7.222 1.00 65.51 H new ATOM 0 HZ PHE A 620 -5.205 -7.936 7.224 1.00 53.24 H new ATOM 605 N VAL A 621 -5.543 -0.015 9.731 1.00 41.53 N ATOM 606 CA VAL A 621 -5.827 1.153 10.566 1.00 71.51 C ATOM 607 C VAL A 621 -6.213 0.725 11.983 1.00 12.52 C ATOM 608 O VAL A 621 -7.010 -0.170 12.178 1.00 1.41 O ATOM 609 CB VAL A 621 -6.947 2.051 9.959 1.00 11.21 C ATOM 610 CG1 VAL A 621 -7.322 3.185 10.902 1.00 22.35 C ATOM 611 CG2 VAL A 621 -6.491 2.630 8.643 1.00 35.51 C ATOM 0 H VAL A 621 -6.177 -0.134 8.941 1.00 41.53 H new ATOM 0 HA VAL A 621 -4.912 1.744 10.606 1.00 71.51 H new ATOM 0 HB VAL A 621 -7.825 1.424 9.804 1.00 11.21 H new ATOM 0 HG11 VAL A 621 -8.105 3.792 10.448 1.00 22.35 H new ATOM 0 HG12 VAL A 621 -7.683 2.771 11.843 1.00 22.35 H new ATOM 0 HG13 VAL A 621 -6.446 3.806 11.091 1.00 22.35 H new ATOM 0 HG21 VAL A 621 -7.281 3.256 8.228 1.00 35.51 H new ATOM 0 HG22 VAL A 621 -5.596 3.232 8.801 1.00 35.51 H new ATOM 0 HG23 VAL A 621 -6.266 1.821 7.948 1.00 35.51 H new ATOM 621 N LYS A 622 -5.630 1.355 12.952 1.00 32.14 N ATOM 622 CA LYS A 622 -5.909 1.053 14.348 1.00 53.04 C ATOM 623 C LYS A 622 -6.751 2.146 14.991 1.00 3.11 C ATOM 624 O LYS A 622 -7.655 1.866 15.780 1.00 10.52 O ATOM 625 CB LYS A 622 -4.594 0.853 15.113 1.00 72.22 C ATOM 626 CG LYS A 622 -3.602 1.940 14.808 1.00 2.32 C ATOM 627 CD LYS A 622 -2.269 1.840 15.521 1.00 14.03 C ATOM 628 CE LYS A 622 -2.314 2.350 16.977 1.00 70.04 C ATOM 629 NZ LYS A 622 -3.086 1.488 17.898 1.00 34.02 N ATOM 0 H LYS A 622 -4.944 2.097 12.814 1.00 32.14 H new ATOM 0 HA LYS A 622 -6.485 0.129 14.392 1.00 53.04 H new ATOM 0 HB2 LYS A 622 -4.795 0.834 16.184 1.00 72.22 H new ATOM 0 HB3 LYS A 622 -4.165 -0.115 14.852 1.00 72.22 H new ATOM 0 HG2 LYS A 622 -3.418 1.946 13.734 1.00 2.32 H new ATOM 0 HG3 LYS A 622 -4.055 2.899 15.059 1.00 2.32 H new ATOM 0 HD2 LYS A 622 -1.940 0.801 15.518 1.00 14.03 H new ATOM 0 HD3 LYS A 622 -1.525 2.411 14.966 1.00 14.03 H new ATOM 0 HE2 LYS A 622 -1.294 2.439 17.350 1.00 70.04 H new ATOM 0 HE3 LYS A 622 -2.746 3.351 16.986 1.00 70.04 H new ATOM 0 HZ1 LYS A 622 -3.851 2.042 18.333 1.00 34.02 H new ATOM 0 HZ2 LYS A 622 -3.494 0.692 17.368 1.00 34.02 H new ATOM 0 HZ3 LYS A 622 -2.457 1.123 18.641 1.00 34.02 H new ATOM 643 N SER A 623 -6.447 3.382 14.666 1.00 0.02 N ATOM 644 CA SER A 623 -7.140 4.512 15.234 1.00 24.04 C ATOM 645 C SER A 623 -7.159 5.646 14.224 1.00 72.21 C ATOM 646 O SER A 623 -6.197 5.818 13.467 1.00 53.54 O ATOM 647 CB SER A 623 -6.418 4.972 16.507 1.00 1.04 C ATOM 648 OG SER A 623 -6.257 3.891 17.427 1.00 70.33 O ATOM 0 H SER A 623 -5.714 3.630 14.002 1.00 0.02 H new ATOM 0 HA SER A 623 -8.162 4.226 15.483 1.00 24.04 H new ATOM 0 HB2 SER A 623 -5.442 5.381 16.247 1.00 1.04 H new ATOM 0 HB3 SER A 623 -6.984 5.775 16.980 1.00 1.04 H new ATOM 0 HG SER A 623 -5.793 4.210 18.229 1.00 70.33 H new ATOM 654 N ILE A 624 -8.232 6.379 14.182 1.00 72.34 N ATOM 655 CA ILE A 624 -8.328 7.539 13.345 1.00 3.01 C ATOM 656 C ILE A 624 -8.067 8.768 14.191 1.00 10.42 C ATOM 657 O ILE A 624 -8.598 8.890 15.299 1.00 62.13 O ATOM 658 CB ILE A 624 -9.729 7.658 12.634 1.00 70.25 C ATOM 659 CG1 ILE A 624 -9.942 6.552 11.589 1.00 53.44 C ATOM 660 CG2 ILE A 624 -9.919 9.020 11.981 1.00 3.30 C ATOM 661 CD1 ILE A 624 -10.067 5.141 12.121 1.00 52.44 C ATOM 0 H ILE A 624 -9.070 6.188 14.731 1.00 72.34 H new ATOM 0 HA ILE A 624 -7.584 7.450 12.554 1.00 3.01 H new ATOM 0 HB ILE A 624 -10.476 7.539 13.419 1.00 70.25 H new ATOM 0 HG12 ILE A 624 -10.844 6.785 11.023 1.00 53.44 H new ATOM 0 HG13 ILE A 624 -9.109 6.580 10.887 1.00 53.44 H new ATOM 0 HG21 ILE A 624 -10.897 9.061 11.502 1.00 3.30 H new ATOM 0 HG22 ILE A 624 -9.854 9.800 12.740 1.00 3.30 H new ATOM 0 HG23 ILE A 624 -9.142 9.176 11.233 1.00 3.30 H new ATOM 0 HD11 ILE A 624 -10.214 4.451 11.290 1.00 52.44 H new ATOM 0 HD12 ILE A 624 -9.158 4.873 12.659 1.00 52.44 H new ATOM 0 HD13 ILE A 624 -10.920 5.081 12.797 1.00 52.44 H new ATOM 673 N ILE A 625 -7.240 9.654 13.705 1.00 41.44 N ATOM 674 CA ILE A 625 -6.950 10.858 14.439 1.00 43.33 C ATOM 675 C ILE A 625 -7.813 11.976 13.908 1.00 33.21 C ATOM 676 O ILE A 625 -7.644 12.434 12.768 1.00 63.04 O ATOM 677 CB ILE A 625 -5.444 11.258 14.359 1.00 21.24 C ATOM 678 CG1 ILE A 625 -4.571 10.136 14.938 1.00 71.24 C ATOM 679 CG2 ILE A 625 -5.190 12.572 15.104 1.00 42.02 C ATOM 680 CD1 ILE A 625 -3.088 10.415 14.863 1.00 14.14 C ATOM 0 H ILE A 625 -6.758 9.567 12.810 1.00 41.44 H new ATOM 0 HA ILE A 625 -7.171 10.673 15.490 1.00 43.33 H new ATOM 0 HB ILE A 625 -5.180 11.406 13.312 1.00 21.24 H new ATOM 0 HG12 ILE A 625 -4.848 9.974 15.980 1.00 71.24 H new ATOM 0 HG13 ILE A 625 -4.784 9.210 14.404 1.00 71.24 H new ATOM 0 HG21 ILE A 625 -4.134 12.831 15.035 1.00 42.02 H new ATOM 0 HG22 ILE A 625 -5.788 13.366 14.656 1.00 42.02 H new ATOM 0 HG23 ILE A 625 -5.467 12.456 16.152 1.00 42.02 H new ATOM 0 HD11 ILE A 625 -2.538 9.577 15.291 1.00 14.14 H new ATOM 0 HD12 ILE A 625 -2.795 10.547 13.822 1.00 14.14 H new ATOM 0 HD13 ILE A 625 -2.860 11.322 15.422 1.00 14.14 H new ATOM 692 N ASN A 626 -8.726 12.413 14.721 1.00 75.03 N ATOM 693 CA ASN A 626 -9.630 13.465 14.341 1.00 42.31 C ATOM 694 C ASN A 626 -8.907 14.778 14.366 1.00 55.30 C ATOM 695 O ASN A 626 -8.467 15.245 15.416 1.00 1.43 O ATOM 696 CB ASN A 626 -10.885 13.491 15.230 1.00 11.50 C ATOM 697 CG ASN A 626 -11.783 12.259 15.059 1.00 34.31 C ATOM 698 OD1 ASN A 626 -11.322 11.156 14.738 1.00 42.14 O ATOM 699 ND2 ASN A 626 -13.062 12.436 15.274 1.00 72.52 N ATOM 0 H ASN A 626 -8.868 12.054 15.665 1.00 75.03 H new ATOM 0 HA ASN A 626 -9.979 13.274 13.326 1.00 42.31 H new ATOM 0 HB2 ASN A 626 -10.580 13.566 16.274 1.00 11.50 H new ATOM 0 HB3 ASN A 626 -11.463 14.386 15.002 1.00 11.50 H new ATOM 0 HD21 ASN A 626 -13.708 11.653 15.178 1.00 72.52 H new ATOM 0 HD22 ASN A 626 -13.412 13.357 15.537 1.00 72.52 H new ATOM 706 N GLY A 627 -8.758 15.352 13.213 1.00 23.33 N ATOM 707 CA GLY A 627 -8.016 16.564 13.063 1.00 33.41 C ATOM 708 C GLY A 627 -7.213 16.521 11.793 1.00 53.02 C ATOM 709 O GLY A 627 -6.905 17.558 11.200 1.00 45.12 O ATOM 0 H GLY A 627 -9.151 14.990 12.344 1.00 23.33 H new ATOM 0 HA2 GLY A 627 -8.695 17.416 13.045 1.00 33.41 H new ATOM 0 HA3 GLY A 627 -7.354 16.703 13.917 1.00 33.41 H new ATOM 713 N GLY A 628 -6.886 15.315 11.359 1.00 55.14 N ATOM 714 CA GLY A 628 -6.132 15.143 10.138 1.00 23.13 C ATOM 715 C GLY A 628 -7.030 15.162 8.921 1.00 11.42 C ATOM 716 O GLY A 628 -8.234 14.894 9.029 1.00 51.15 O ATOM 0 H GLY A 628 -7.132 14.447 11.835 1.00 55.14 H new ATOM 0 HA2 GLY A 628 -5.388 15.935 10.054 1.00 23.13 H new ATOM 0 HA3 GLY A 628 -5.589 14.199 10.175 1.00 23.13 H new ATOM 720 N ALA A 629 -6.457 15.453 7.763 1.00 33.24 N ATOM 721 CA ALA A 629 -7.215 15.539 6.518 1.00 1.11 C ATOM 722 C ALA A 629 -7.832 14.214 6.143 1.00 3.43 C ATOM 723 O ALA A 629 -8.921 14.171 5.572 1.00 23.44 O ATOM 724 CB ALA A 629 -6.354 16.069 5.398 1.00 2.30 C ATOM 0 H ALA A 629 -5.459 15.636 7.657 1.00 33.24 H new ATOM 0 HA ALA A 629 -8.032 16.242 6.684 1.00 1.11 H new ATOM 0 HB1 ALA A 629 -6.942 16.123 4.482 1.00 2.30 H new ATOM 0 HB2 ALA A 629 -5.992 17.064 5.657 1.00 2.30 H new ATOM 0 HB3 ALA A 629 -5.505 15.403 5.245 1.00 2.30 H new ATOM 730 N ALA A 630 -7.160 13.128 6.490 1.00 53.12 N ATOM 731 CA ALA A 630 -7.672 11.805 6.188 1.00 20.24 C ATOM 732 C ALA A 630 -8.906 11.539 6.986 1.00 53.21 C ATOM 733 O ALA A 630 -9.792 10.828 6.552 1.00 45.33 O ATOM 734 CB ALA A 630 -6.629 10.747 6.448 1.00 33.42 C ATOM 0 H ALA A 630 -6.264 13.138 6.978 1.00 53.12 H new ATOM 0 HA ALA A 630 -7.925 11.767 5.128 1.00 20.24 H new ATOM 0 HB1 ALA A 630 -7.040 9.765 6.213 1.00 33.42 H new ATOM 0 HB2 ALA A 630 -5.757 10.934 5.822 1.00 33.42 H new ATOM 0 HB3 ALA A 630 -6.335 10.776 7.497 1.00 33.42 H new ATOM 740 N SER A 631 -8.957 12.134 8.130 1.00 62.21 N ATOM 741 CA SER A 631 -10.081 11.988 9.014 1.00 61.33 C ATOM 742 C SER A 631 -11.232 12.873 8.552 1.00 14.20 C ATOM 743 O SER A 631 -12.369 12.424 8.447 1.00 51.22 O ATOM 744 CB SER A 631 -9.685 12.335 10.452 1.00 51.54 C ATOM 745 OG SER A 631 -10.779 12.172 11.352 1.00 32.55 O ATOM 0 H SER A 631 -8.219 12.741 8.487 1.00 62.21 H new ATOM 0 HA SER A 631 -10.407 10.948 8.990 1.00 61.33 H new ATOM 0 HB2 SER A 631 -8.857 11.699 10.766 1.00 51.54 H new ATOM 0 HB3 SER A 631 -9.329 13.364 10.494 1.00 51.54 H new ATOM 0 HG SER A 631 -11.186 11.291 11.216 1.00 32.55 H new ATOM 751 N LYS A 632 -10.923 14.125 8.287 1.00 74.23 N ATOM 752 CA LYS A 632 -11.895 15.096 7.905 1.00 53.11 C ATOM 753 C LYS A 632 -12.506 14.733 6.548 1.00 23.02 C ATOM 754 O LYS A 632 -13.726 14.611 6.420 1.00 1.21 O ATOM 755 CB LYS A 632 -11.144 16.437 7.790 1.00 43.44 C ATOM 756 CG LYS A 632 -11.910 17.746 8.081 1.00 34.04 C ATOM 757 CD LYS A 632 -13.048 18.128 7.107 1.00 42.33 C ATOM 758 CE LYS A 632 -14.334 17.352 7.332 1.00 74.22 C ATOM 759 NZ LYS A 632 -15.403 17.778 6.395 1.00 61.21 N ATOM 0 H LYS A 632 -9.972 14.490 8.335 1.00 74.23 H new ATOM 0 HA LYS A 632 -12.705 15.146 8.633 1.00 53.11 H new ATOM 0 HB2 LYS A 632 -10.291 16.396 8.467 1.00 43.44 H new ATOM 0 HB3 LYS A 632 -10.745 16.506 6.778 1.00 43.44 H new ATOM 0 HG2 LYS A 632 -12.332 17.675 9.083 1.00 34.04 H new ATOM 0 HG3 LYS A 632 -11.189 18.563 8.096 1.00 34.04 H new ATOM 0 HD2 LYS A 632 -13.256 19.193 7.206 1.00 42.33 H new ATOM 0 HD3 LYS A 632 -12.709 17.963 6.084 1.00 42.33 H new ATOM 0 HE2 LYS A 632 -14.143 16.286 7.206 1.00 74.22 H new ATOM 0 HE3 LYS A 632 -14.671 17.496 8.359 1.00 74.22 H new ATOM 0 HZ1 LYS A 632 -16.265 17.227 6.578 1.00 61.21 H new ATOM 0 HZ2 LYS A 632 -15.603 18.789 6.533 1.00 61.21 H new ATOM 0 HZ3 LYS A 632 -15.091 17.617 5.416 1.00 61.21 H new ATOM 773 N ASP A 633 -11.669 14.501 5.559 1.00 2.04 N ATOM 774 CA ASP A 633 -12.183 14.350 4.216 1.00 33.40 C ATOM 775 C ASP A 633 -12.777 12.973 3.924 1.00 21.45 C ATOM 776 O ASP A 633 -13.925 12.874 3.490 1.00 72.35 O ATOM 777 CB ASP A 633 -11.123 14.705 3.179 1.00 12.32 C ATOM 778 CG ASP A 633 -11.701 14.776 1.792 1.00 44.41 C ATOM 779 OD1 ASP A 633 -11.759 13.747 1.111 1.00 34.20 O ATOM 780 OD2 ASP A 633 -12.121 15.884 1.374 1.00 51.20 O ATOM 0 H ASP A 633 -10.657 14.415 5.654 1.00 2.04 H new ATOM 0 HA ASP A 633 -13.011 15.055 4.144 1.00 33.40 H new ATOM 0 HB2 ASP A 633 -10.671 15.664 3.434 1.00 12.32 H new ATOM 0 HB3 ASP A 633 -10.327 13.961 3.203 1.00 12.32 H new ATOM 785 N GLY A 634 -12.016 11.917 4.160 1.00 31.22 N ATOM 786 CA GLY A 634 -12.522 10.588 3.840 1.00 12.43 C ATOM 787 C GLY A 634 -13.021 9.808 5.037 1.00 2.44 C ATOM 788 O GLY A 634 -14.101 9.223 4.999 1.00 0.22 O ATOM 0 H GLY A 634 -11.077 11.946 4.558 1.00 31.22 H new ATOM 0 HA2 GLY A 634 -13.334 10.685 3.120 1.00 12.43 H new ATOM 0 HA3 GLY A 634 -11.731 10.018 3.353 1.00 12.43 H new ATOM 792 N ARG A 635 -12.244 9.859 6.111 1.00 23.32 N ATOM 793 CA ARG A 635 -12.466 9.109 7.337 1.00 22.10 C ATOM 794 C ARG A 635 -12.566 7.608 7.101 1.00 40.44 C ATOM 795 O ARG A 635 -13.613 7.070 6.735 1.00 22.40 O ATOM 796 CB ARG A 635 -13.603 9.676 8.172 1.00 54.23 C ATOM 797 CG ARG A 635 -13.795 9.011 9.522 1.00 34.32 C ATOM 798 CD ARG A 635 -14.608 9.907 10.431 1.00 5.33 C ATOM 799 NE ARG A 635 -13.894 11.183 10.667 1.00 62.42 N ATOM 800 CZ ARG A 635 -14.315 12.190 11.453 1.00 11.50 C ATOM 801 NH1 ARG A 635 -15.506 12.131 12.043 1.00 23.14 N ATOM 802 NH2 ARG A 635 -13.534 13.258 11.637 1.00 5.00 N ATOM 0 H ARG A 635 -11.411 10.446 6.152 1.00 23.32 H new ATOM 0 HA ARG A 635 -11.571 9.240 7.945 1.00 22.10 H new ATOM 0 HB2 ARG A 635 -13.424 10.740 8.329 1.00 54.23 H new ATOM 0 HB3 ARG A 635 -14.530 9.589 7.605 1.00 54.23 H new ATOM 0 HG2 ARG A 635 -14.300 8.053 9.396 1.00 34.32 H new ATOM 0 HG3 ARG A 635 -12.826 8.803 9.975 1.00 34.32 H new ATOM 0 HD2 ARG A 635 -15.581 10.105 9.982 1.00 5.33 H new ATOM 0 HD3 ARG A 635 -14.791 9.404 11.380 1.00 5.33 H new ATOM 0 HE ARG A 635 -13.001 11.310 10.190 1.00 62.42 H new ATOM 0 HH11 ARG A 635 -16.106 11.319 11.901 1.00 23.14 H new ATOM 0 HH12 ARG A 635 -15.819 12.898 12.638 1.00 23.14 H new ATOM 0 HH21 ARG A 635 -12.622 13.308 11.182 1.00 5.00 H new ATOM 0 HH22 ARG A 635 -13.849 14.024 12.232 1.00 5.00 H new ATOM 816 N LEU A 636 -11.447 6.958 7.295 1.00 70.11 N ATOM 817 CA LEU A 636 -11.318 5.518 7.104 1.00 72.03 C ATOM 818 C LEU A 636 -11.918 4.769 8.285 1.00 33.12 C ATOM 819 O LEU A 636 -12.616 5.365 9.120 1.00 51.14 O ATOM 820 CB LEU A 636 -9.838 5.103 6.891 1.00 42.15 C ATOM 821 CG LEU A 636 -9.141 5.577 5.598 1.00 61.45 C ATOM 822 CD1 LEU A 636 -8.959 7.076 5.569 1.00 11.12 C ATOM 823 CD2 LEU A 636 -7.815 4.869 5.414 1.00 2.32 C ATOM 0 H LEU A 636 -10.583 7.411 7.594 1.00 70.11 H new ATOM 0 HA LEU A 636 -11.870 5.251 6.203 1.00 72.03 H new ATOM 0 HB2 LEU A 636 -9.260 5.472 7.738 1.00 42.15 H new ATOM 0 HB3 LEU A 636 -9.787 4.015 6.920 1.00 42.15 H new ATOM 0 HG LEU A 636 -9.793 5.316 4.764 1.00 61.45 H new ATOM 0 HD11 LEU A 636 -8.465 7.365 4.641 1.00 11.12 H new ATOM 0 HD12 LEU A 636 -9.933 7.562 5.628 1.00 11.12 H new ATOM 0 HD13 LEU A 636 -8.348 7.385 6.417 1.00 11.12 H new ATOM 0 HD21 LEU A 636 -7.340 5.218 4.497 1.00 2.32 H new ATOM 0 HD22 LEU A 636 -7.166 5.085 6.263 1.00 2.32 H new ATOM 0 HD23 LEU A 636 -7.982 3.794 5.350 1.00 2.32 H new ATOM 835 N ARG A 637 -11.657 3.496 8.369 1.00 13.44 N ATOM 836 CA ARG A 637 -12.236 2.699 9.420 1.00 33.14 C ATOM 837 C ARG A 637 -11.211 1.858 10.123 1.00 11.30 C ATOM 838 O ARG A 637 -10.222 1.436 9.539 1.00 74.40 O ATOM 839 CB ARG A 637 -13.473 1.874 8.929 1.00 4.12 C ATOM 840 CG ARG A 637 -13.274 0.900 7.773 1.00 63.23 C ATOM 841 CD ARG A 637 -12.609 -0.381 8.216 1.00 3.25 C ATOM 842 NE ARG A 637 -12.380 -1.324 7.110 1.00 24.00 N ATOM 843 CZ ARG A 637 -12.086 -2.632 7.293 1.00 31.34 C ATOM 844 NH1 ARG A 637 -12.295 -3.203 8.472 1.00 22.15 N ATOM 845 NH2 ARG A 637 -11.600 -3.359 6.297 1.00 41.34 N ATOM 0 H ARG A 637 -11.050 2.986 7.727 1.00 13.44 H new ATOM 0 HA ARG A 637 -12.620 3.393 10.167 1.00 33.14 H new ATOM 0 HB2 ARG A 637 -13.855 1.309 9.779 1.00 4.12 H new ATOM 0 HB3 ARG A 637 -14.251 2.580 8.640 1.00 4.12 H new ATOM 0 HG2 ARG A 637 -14.240 0.670 7.324 1.00 63.23 H new ATOM 0 HG3 ARG A 637 -12.668 1.374 7.001 1.00 63.23 H new ATOM 0 HD2 ARG A 637 -11.655 -0.144 8.687 1.00 3.25 H new ATOM 0 HD3 ARG A 637 -13.228 -0.862 8.973 1.00 3.25 H new ATOM 0 HE ARG A 637 -12.446 -0.973 6.155 1.00 24.00 H new ATOM 0 HH11 ARG A 637 -12.678 -2.656 9.243 1.00 22.15 H new ATOM 0 HH12 ARG A 637 -12.073 -4.189 8.608 1.00 22.15 H new ATOM 0 HH21 ARG A 637 -11.445 -2.933 5.383 1.00 41.34 H new ATOM 0 HH22 ARG A 637 -11.381 -4.344 6.444 1.00 41.34 H new ATOM 859 N VAL A 638 -11.437 1.632 11.380 1.00 12.42 N ATOM 860 CA VAL A 638 -10.555 0.813 12.160 1.00 54.35 C ATOM 861 C VAL A 638 -10.531 -0.594 11.579 1.00 72.11 C ATOM 862 O VAL A 638 -11.590 -1.159 11.265 1.00 14.22 O ATOM 863 CB VAL A 638 -10.995 0.772 13.644 1.00 54.43 C ATOM 864 CG1 VAL A 638 -10.083 -0.128 14.468 1.00 61.11 C ATOM 865 CG2 VAL A 638 -11.023 2.177 14.228 1.00 12.13 C ATOM 0 H VAL A 638 -12.234 2.007 11.895 1.00 12.42 H new ATOM 0 HA VAL A 638 -9.554 1.243 12.123 1.00 54.35 H new ATOM 0 HB VAL A 638 -12.001 0.354 13.683 1.00 54.43 H new ATOM 0 HG11 VAL A 638 -10.419 -0.135 15.505 1.00 61.11 H new ATOM 0 HG12 VAL A 638 -10.115 -1.142 14.069 1.00 61.11 H new ATOM 0 HG13 VAL A 638 -9.061 0.248 14.420 1.00 61.11 H new ATOM 0 HG21 VAL A 638 -11.334 2.131 15.272 1.00 12.13 H new ATOM 0 HG22 VAL A 638 -10.028 2.617 14.165 1.00 12.13 H new ATOM 0 HG23 VAL A 638 -11.727 2.791 13.666 1.00 12.13 H new ATOM 875 N ASN A 639 -9.326 -1.112 11.397 1.00 65.41 N ATOM 876 CA ASN A 639 -9.050 -2.447 10.880 1.00 22.31 C ATOM 877 C ASN A 639 -9.077 -2.503 9.333 1.00 32.42 C ATOM 878 O ASN A 639 -9.043 -3.577 8.748 1.00 11.30 O ATOM 879 CB ASN A 639 -9.948 -3.531 11.588 1.00 14.21 C ATOM 880 CG ASN A 639 -9.708 -4.991 11.173 1.00 12.41 C ATOM 881 OD1 ASN A 639 -10.362 -5.509 10.259 1.00 32.45 O ATOM 882 ND2 ASN A 639 -8.786 -5.661 11.838 1.00 23.23 N ATOM 0 H ASN A 639 -8.476 -0.592 11.615 1.00 65.41 H new ATOM 0 HA ASN A 639 -8.022 -2.701 11.138 1.00 22.31 H new ATOM 0 HB2 ASN A 639 -9.795 -3.452 12.664 1.00 14.21 H new ATOM 0 HB3 ASN A 639 -10.993 -3.288 11.396 1.00 14.21 H new ATOM 0 HD21 ASN A 639 -8.595 -6.635 11.604 1.00 23.23 H new ATOM 0 HD22 ASN A 639 -8.264 -5.205 12.586 1.00 23.23 H new ATOM 889 N ASP A 640 -9.099 -1.340 8.642 1.00 62.12 N ATOM 890 CA ASP A 640 -9.003 -1.429 7.180 1.00 35.41 C ATOM 891 C ASP A 640 -7.602 -1.766 6.732 1.00 52.01 C ATOM 892 O ASP A 640 -6.628 -1.338 7.341 1.00 12.32 O ATOM 893 CB ASP A 640 -9.610 -0.264 6.339 1.00 5.30 C ATOM 894 CG ASP A 640 -9.034 1.101 6.525 1.00 54.45 C ATOM 895 OD1 ASP A 640 -7.867 1.295 6.241 1.00 12.03 O ATOM 896 OD2 ASP A 640 -9.821 2.021 6.875 1.00 2.40 O ATOM 0 H ASP A 640 -9.176 -0.403 9.038 1.00 62.12 H new ATOM 0 HA ASP A 640 -9.675 -2.257 6.953 1.00 35.41 H new ATOM 0 HB2 ASP A 640 -9.516 -0.527 5.285 1.00 5.30 H new ATOM 0 HB3 ASP A 640 -10.676 -0.211 6.560 1.00 5.30 H new ATOM 901 N GLN A 641 -7.514 -2.572 5.704 1.00 70.14 N ATOM 902 CA GLN A 641 -6.251 -3.044 5.172 1.00 4.21 C ATOM 903 C GLN A 641 -5.684 -2.105 4.115 1.00 13.21 C ATOM 904 O GLN A 641 -6.248 -1.956 3.040 1.00 54.20 O ATOM 905 CB GLN A 641 -6.435 -4.473 4.618 1.00 74.51 C ATOM 906 CG GLN A 641 -5.298 -5.008 3.746 1.00 51.00 C ATOM 907 CD GLN A 641 -3.931 -4.980 4.388 1.00 52.34 C ATOM 908 OE1 GLN A 641 -3.782 -5.098 5.582 1.00 3.35 O ATOM 909 NE2 GLN A 641 -2.925 -4.806 3.574 1.00 51.23 N ATOM 0 H GLN A 641 -8.328 -2.927 5.202 1.00 70.14 H new ATOM 0 HA GLN A 641 -5.521 -3.063 5.981 1.00 4.21 H new ATOM 0 HB2 GLN A 641 -6.571 -5.152 5.459 1.00 74.51 H new ATOM 0 HB3 GLN A 641 -7.356 -4.499 4.035 1.00 74.51 H new ATOM 0 HG2 GLN A 641 -5.529 -6.035 3.465 1.00 51.00 H new ATOM 0 HG3 GLN A 641 -5.262 -4.426 2.825 1.00 51.00 H new ATOM 0 HE21 GLN A 641 -3.090 -4.710 2.572 1.00 51.23 H new ATOM 0 HE22 GLN A 641 -1.974 -4.766 3.940 1.00 51.23 H new ATOM 918 N LEU A 642 -4.569 -1.496 4.429 1.00 42.14 N ATOM 919 CA LEU A 642 -3.881 -0.606 3.518 1.00 2.52 C ATOM 920 C LEU A 642 -3.188 -1.407 2.410 1.00 41.13 C ATOM 921 O LEU A 642 -2.205 -2.116 2.643 1.00 11.11 O ATOM 922 CB LEU A 642 -2.886 0.348 4.256 1.00 20.10 C ATOM 923 CG LEU A 642 -3.471 1.463 5.143 1.00 30.24 C ATOM 924 CD1 LEU A 642 -4.245 0.901 6.320 1.00 60.13 C ATOM 925 CD2 LEU A 642 -2.359 2.371 5.630 1.00 53.22 C ATOM 0 H LEU A 642 -4.106 -1.602 5.332 1.00 42.14 H new ATOM 0 HA LEU A 642 -4.630 0.038 3.056 1.00 2.52 H new ATOM 0 HB2 LEU A 642 -2.235 -0.266 4.879 1.00 20.10 H new ATOM 0 HB3 LEU A 642 -2.255 0.819 3.502 1.00 20.10 H new ATOM 0 HG LEU A 642 -4.171 2.038 4.538 1.00 30.24 H new ATOM 0 HD11 LEU A 642 -4.641 1.721 6.920 1.00 60.13 H new ATOM 0 HD12 LEU A 642 -5.069 0.288 5.954 1.00 60.13 H new ATOM 0 HD13 LEU A 642 -3.582 0.290 6.933 1.00 60.13 H new ATOM 0 HD21 LEU A 642 -2.780 3.157 6.257 1.00 53.22 H new ATOM 0 HD22 LEU A 642 -1.642 1.790 6.210 1.00 53.22 H new ATOM 0 HD23 LEU A 642 -1.855 2.820 4.774 1.00 53.22 H new ATOM 937 N ILE A 643 -3.725 -1.289 1.217 1.00 13.53 N ATOM 938 CA ILE A 643 -3.275 -2.029 0.048 1.00 52.51 C ATOM 939 C ILE A 643 -2.202 -1.268 -0.685 1.00 63.53 C ATOM 940 O ILE A 643 -1.105 -1.782 -0.937 1.00 1.43 O ATOM 941 CB ILE A 643 -4.457 -2.235 -0.941 1.00 63.44 C ATOM 942 CG1 ILE A 643 -5.598 -3.007 -0.288 1.00 31.01 C ATOM 943 CG2 ILE A 643 -4.008 -2.906 -2.236 1.00 4.11 C ATOM 944 CD1 ILE A 643 -5.239 -4.411 0.135 1.00 0.12 C ATOM 0 H ILE A 643 -4.506 -0.662 1.022 1.00 13.53 H new ATOM 0 HA ILE A 643 -2.887 -2.987 0.395 1.00 52.51 H new ATOM 0 HB ILE A 643 -4.829 -1.245 -1.204 1.00 63.44 H new ATOM 0 HG12 ILE A 643 -5.941 -2.454 0.586 1.00 31.01 H new ATOM 0 HG13 ILE A 643 -6.435 -3.053 -0.985 1.00 31.01 H new ATOM 0 HG21 ILE A 643 -4.865 -3.030 -2.898 1.00 4.11 H new ATOM 0 HG22 ILE A 643 -3.258 -2.285 -2.726 1.00 4.11 H new ATOM 0 HG23 ILE A 643 -3.579 -3.882 -2.010 1.00 4.11 H new ATOM 0 HD11 ILE A 643 -6.108 -4.887 0.590 1.00 0.12 H new ATOM 0 HD12 ILE A 643 -4.925 -4.985 -0.737 1.00 0.12 H new ATOM 0 HD13 ILE A 643 -4.424 -4.376 0.858 1.00 0.12 H new ATOM 956 N ALA A 644 -2.530 -0.058 -1.040 1.00 32.31 N ATOM 957 CA ALA A 644 -1.650 0.758 -1.813 1.00 73.14 C ATOM 958 C ALA A 644 -1.670 2.180 -1.316 1.00 52.32 C ATOM 959 O ALA A 644 -2.704 2.676 -0.871 1.00 5.13 O ATOM 960 CB ALA A 644 -2.039 0.698 -3.288 1.00 64.24 C ATOM 0 H ALA A 644 -3.416 0.387 -0.800 1.00 32.31 H new ATOM 0 HA ALA A 644 -0.635 0.376 -1.704 1.00 73.14 H new ATOM 0 HB1 ALA A 644 -1.361 1.324 -3.869 1.00 64.24 H new ATOM 0 HB2 ALA A 644 -1.973 -0.332 -3.640 1.00 64.24 H new ATOM 0 HB3 ALA A 644 -3.060 1.059 -3.410 1.00 64.24 H new ATOM 966 N VAL A 645 -0.540 2.818 -1.390 1.00 10.53 N ATOM 967 CA VAL A 645 -0.395 4.178 -0.973 1.00 72.04 C ATOM 968 C VAL A 645 0.210 4.977 -2.133 1.00 61.24 C ATOM 969 O VAL A 645 1.210 4.569 -2.714 1.00 22.42 O ATOM 970 CB VAL A 645 0.470 4.287 0.325 1.00 20.42 C ATOM 971 CG1 VAL A 645 1.903 3.798 0.124 1.00 2.11 C ATOM 972 CG2 VAL A 645 0.425 5.689 0.897 1.00 3.42 C ATOM 0 H VAL A 645 0.319 2.400 -1.747 1.00 10.53 H new ATOM 0 HA VAL A 645 -1.371 4.593 -0.721 1.00 72.04 H new ATOM 0 HB VAL A 645 0.024 3.615 1.058 1.00 20.42 H new ATOM 0 HG11 VAL A 645 2.456 3.897 1.058 1.00 2.11 H new ATOM 0 HG12 VAL A 645 1.891 2.752 -0.181 1.00 2.11 H new ATOM 0 HG13 VAL A 645 2.386 4.396 -0.649 1.00 2.11 H new ATOM 0 HG21 VAL A 645 1.036 5.734 1.799 1.00 3.42 H new ATOM 0 HG22 VAL A 645 0.812 6.395 0.162 1.00 3.42 H new ATOM 0 HG23 VAL A 645 -0.605 5.949 1.143 1.00 3.42 H new ATOM 982 N ASN A 646 -0.439 6.082 -2.491 1.00 13.51 N ATOM 983 CA ASN A 646 -0.050 6.914 -3.658 1.00 50.14 C ATOM 984 C ASN A 646 0.098 6.095 -4.928 1.00 54.21 C ATOM 985 O ASN A 646 0.911 6.396 -5.802 1.00 74.24 O ATOM 986 CB ASN A 646 1.181 7.767 -3.350 1.00 21.42 C ATOM 987 CG ASN A 646 0.807 8.904 -2.435 1.00 12.42 C ATOM 988 OD1 ASN A 646 -0.302 9.413 -2.507 1.00 64.12 O ATOM 989 ND2 ASN A 646 1.686 9.292 -1.555 1.00 75.41 N ATOM 0 H ASN A 646 -1.252 6.438 -1.988 1.00 13.51 H new ATOM 0 HA ASN A 646 -0.869 7.607 -3.851 1.00 50.14 H new ATOM 0 HB2 ASN A 646 1.951 7.153 -2.884 1.00 21.42 H new ATOM 0 HB3 ASN A 646 1.603 8.158 -4.276 1.00 21.42 H new ATOM 0 HD21 ASN A 646 1.457 10.040 -0.901 1.00 75.41 H new ATOM 0 HD22 ASN A 646 2.603 8.847 -1.520 1.00 75.41 H new ATOM 996 N GLY A 647 -0.742 5.080 -5.037 1.00 73.54 N ATOM 997 CA GLY A 647 -0.726 4.218 -6.194 1.00 34.32 C ATOM 998 C GLY A 647 0.237 3.050 -6.071 1.00 32.40 C ATOM 999 O GLY A 647 0.151 2.099 -6.847 1.00 13.31 O ATOM 0 H GLY A 647 -1.442 4.837 -4.336 1.00 73.54 H new ATOM 0 HA2 GLY A 647 -1.731 3.832 -6.363 1.00 34.32 H new ATOM 0 HA3 GLY A 647 -0.459 4.807 -7.071 1.00 34.32 H new ATOM 1003 N GLU A 648 1.143 3.097 -5.107 1.00 73.10 N ATOM 1004 CA GLU A 648 2.112 2.040 -4.961 1.00 3.34 C ATOM 1005 C GLU A 648 1.560 0.982 -4.037 1.00 24.44 C ATOM 1006 O GLU A 648 1.162 1.278 -2.910 1.00 74.20 O ATOM 1007 CB GLU A 648 3.434 2.595 -4.416 1.00 11.52 C ATOM 1008 CG GLU A 648 4.560 1.576 -4.413 1.00 1.32 C ATOM 1009 CD GLU A 648 5.889 2.137 -3.951 1.00 42.24 C ATOM 1010 OE1 GLU A 648 6.476 2.992 -4.665 1.00 11.41 O ATOM 1011 OE2 GLU A 648 6.407 1.689 -2.908 1.00 73.12 O ATOM 0 H GLU A 648 1.222 3.850 -4.424 1.00 73.10 H new ATOM 0 HA GLU A 648 2.310 1.596 -5.937 1.00 3.34 H new ATOM 0 HB2 GLU A 648 3.733 3.455 -5.016 1.00 11.52 H new ATOM 0 HB3 GLU A 648 3.277 2.955 -3.399 1.00 11.52 H new ATOM 0 HG2 GLU A 648 4.283 0.744 -3.766 1.00 1.32 H new ATOM 0 HG3 GLU A 648 4.676 1.173 -5.419 1.00 1.32 H new ATOM 1018 N SER A 649 1.536 -0.236 -4.501 1.00 41.43 N ATOM 1019 CA SER A 649 1.010 -1.322 -3.731 1.00 33.42 C ATOM 1020 C SER A 649 2.076 -1.871 -2.801 1.00 31.12 C ATOM 1021 O SER A 649 3.239 -2.029 -3.187 1.00 34.44 O ATOM 1022 CB SER A 649 0.464 -2.421 -4.661 1.00 1.02 C ATOM 1023 OG SER A 649 -0.124 -3.488 -3.929 1.00 53.00 O ATOM 0 H SER A 649 1.881 -0.501 -5.424 1.00 41.43 H new ATOM 0 HA SER A 649 0.184 -0.956 -3.120 1.00 33.42 H new ATOM 0 HB2 SER A 649 -0.277 -1.991 -5.335 1.00 1.02 H new ATOM 0 HB3 SER A 649 1.273 -2.808 -5.281 1.00 1.02 H new ATOM 0 HG SER A 649 -0.461 -4.165 -4.552 1.00 53.00 H new ATOM 1029 N LEU A 650 1.686 -2.131 -1.582 1.00 52.33 N ATOM 1030 CA LEU A 650 2.576 -2.696 -0.595 1.00 31.45 C ATOM 1031 C LEU A 650 1.900 -3.872 0.065 1.00 62.42 C ATOM 1032 O LEU A 650 2.329 -4.370 1.114 1.00 34.21 O ATOM 1033 CB LEU A 650 3.039 -1.656 0.450 1.00 12.13 C ATOM 1034 CG LEU A 650 1.986 -0.963 1.349 1.00 5.21 C ATOM 1035 CD1 LEU A 650 2.694 -0.154 2.397 1.00 32.40 C ATOM 1036 CD2 LEU A 650 1.087 -0.031 0.557 1.00 41.13 C ATOM 0 H LEU A 650 0.740 -1.958 -1.241 1.00 52.33 H new ATOM 0 HA LEU A 650 3.480 -3.032 -1.103 1.00 31.45 H new ATOM 0 HB2 LEU A 650 3.757 -2.148 1.106 1.00 12.13 H new ATOM 0 HB3 LEU A 650 3.579 -0.874 -0.084 1.00 12.13 H new ATOM 0 HG LEU A 650 1.368 -1.742 1.796 1.00 5.21 H new ATOM 0 HD11 LEU A 650 1.960 0.338 3.035 1.00 32.40 H new ATOM 0 HD12 LEU A 650 3.319 -0.810 3.003 1.00 32.40 H new ATOM 0 HD13 LEU A 650 3.318 0.599 1.915 1.00 32.40 H new ATOM 0 HD21 LEU A 650 0.364 0.433 1.227 1.00 41.13 H new ATOM 0 HD22 LEU A 650 1.692 0.742 0.083 1.00 41.13 H new ATOM 0 HD23 LEU A 650 0.559 -0.599 -0.209 1.00 41.13 H new ATOM 1048 N LEU A 651 0.867 -4.343 -0.613 1.00 25.14 N ATOM 1049 CA LEU A 651 0.031 -5.463 -0.199 1.00 12.42 C ATOM 1050 C LEU A 651 0.871 -6.719 0.059 1.00 71.04 C ATOM 1051 O LEU A 651 0.549 -7.523 0.945 1.00 30.52 O ATOM 1052 CB LEU A 651 -1.059 -5.690 -1.317 1.00 42.32 C ATOM 1053 CG LEU A 651 -2.107 -6.847 -1.185 1.00 62.22 C ATOM 1054 CD1 LEU A 651 -3.180 -6.688 -2.247 1.00 22.21 C ATOM 1055 CD2 LEU A 651 -1.467 -8.207 -1.393 1.00 24.32 C ATOM 0 H LEU A 651 0.574 -3.941 -1.503 1.00 25.14 H new ATOM 0 HA LEU A 651 -0.463 -5.239 0.747 1.00 12.42 H new ATOM 0 HB2 LEU A 651 -1.618 -4.759 -1.414 1.00 42.32 H new ATOM 0 HB3 LEU A 651 -0.528 -5.843 -2.257 1.00 42.32 H new ATOM 0 HG LEU A 651 -2.526 -6.789 -0.180 1.00 62.22 H new ATOM 0 HD11 LEU A 651 -3.908 -7.494 -2.153 1.00 22.21 H new ATOM 0 HD12 LEU A 651 -3.682 -5.729 -2.117 1.00 22.21 H new ATOM 0 HD13 LEU A 651 -2.722 -6.726 -3.235 1.00 22.21 H new ATOM 0 HD21 LEU A 651 -2.224 -8.985 -1.294 1.00 24.32 H new ATOM 0 HD22 LEU A 651 -1.027 -8.254 -2.389 1.00 24.32 H new ATOM 0 HD23 LEU A 651 -0.689 -8.361 -0.645 1.00 24.32 H new ATOM 1067 N GLY A 652 1.955 -6.856 -0.662 1.00 25.25 N ATOM 1068 CA GLY A 652 2.726 -8.063 -0.585 1.00 43.40 C ATOM 1069 C GLY A 652 4.063 -7.903 0.087 1.00 2.35 C ATOM 1070 O GLY A 652 4.916 -8.780 -0.030 1.00 14.14 O ATOM 0 H GLY A 652 2.319 -6.151 -1.303 1.00 25.25 H new ATOM 0 HA2 GLY A 652 2.149 -8.815 -0.046 1.00 43.40 H new ATOM 0 HA3 GLY A 652 2.883 -8.445 -1.594 1.00 43.40 H new ATOM 1074 N LYS A 653 4.281 -6.810 0.785 1.00 20.04 N ATOM 1075 CA LYS A 653 5.555 -6.659 1.471 1.00 63.32 C ATOM 1076 C LYS A 653 5.367 -6.761 2.979 1.00 43.53 C ATOM 1077 O LYS A 653 4.240 -6.662 3.476 1.00 15.35 O ATOM 1078 CB LYS A 653 6.318 -5.374 1.069 1.00 40.43 C ATOM 1079 CG LYS A 653 5.632 -4.065 1.416 1.00 51.10 C ATOM 1080 CD LYS A 653 6.521 -2.860 1.077 1.00 33.42 C ATOM 1081 CE LYS A 653 6.749 -2.671 -0.427 1.00 45.02 C ATOM 1082 NZ LYS A 653 7.713 -1.575 -0.706 1.00 5.30 N ATOM 0 H LYS A 653 3.624 -6.037 0.894 1.00 20.04 H new ATOM 0 HA LYS A 653 6.189 -7.485 1.147 1.00 63.32 H new ATOM 0 HB2 LYS A 653 7.296 -5.389 1.550 1.00 40.43 H new ATOM 0 HB3 LYS A 653 6.491 -5.398 -0.007 1.00 40.43 H new ATOM 0 HG2 LYS A 653 4.691 -3.990 0.871 1.00 51.10 H new ATOM 0 HG3 LYS A 653 5.387 -4.051 2.478 1.00 51.10 H new ATOM 0 HD2 LYS A 653 6.066 -1.957 1.483 1.00 33.42 H new ATOM 0 HD3 LYS A 653 7.486 -2.980 1.570 1.00 33.42 H new ATOM 0 HE2 LYS A 653 7.121 -3.601 -0.858 1.00 45.02 H new ATOM 0 HE3 LYS A 653 5.799 -2.452 -0.914 1.00 45.02 H new ATOM 0 HZ1 LYS A 653 7.494 -1.147 -1.628 1.00 5.30 H new ATOM 0 HZ2 LYS A 653 7.641 -0.852 0.038 1.00 5.30 H new ATOM 0 HZ3 LYS A 653 8.679 -1.959 -0.723 1.00 5.30 H new ATOM 1096 N ALA A 654 6.464 -6.975 3.693 1.00 44.13 N ATOM 1097 CA ALA A 654 6.443 -7.135 5.149 1.00 51.54 C ATOM 1098 C ALA A 654 5.966 -5.865 5.838 1.00 20.43 C ATOM 1099 O ALA A 654 6.134 -4.782 5.307 1.00 34.42 O ATOM 1100 CB ALA A 654 7.828 -7.500 5.641 1.00 22.15 C ATOM 0 H ALA A 654 7.396 -7.043 3.283 1.00 44.13 H new ATOM 0 HA ALA A 654 5.743 -7.934 5.395 1.00 51.54 H new ATOM 0 HB1 ALA A 654 7.810 -7.618 6.724 1.00 22.15 H new ATOM 0 HB2 ALA A 654 8.143 -8.435 5.179 1.00 22.15 H new ATOM 0 HB3 ALA A 654 8.529 -6.709 5.374 1.00 22.15 H new ATOM 1106 N ASN A 655 5.382 -6.010 7.024 1.00 20.31 N ATOM 1107 CA ASN A 655 4.860 -4.870 7.804 1.00 63.32 C ATOM 1108 C ASN A 655 5.911 -3.802 8.048 1.00 70.41 C ATOM 1109 O ASN A 655 5.627 -2.611 7.921 1.00 51.11 O ATOM 1110 CB ASN A 655 4.246 -5.314 9.140 1.00 54.04 C ATOM 1111 CG ASN A 655 2.989 -6.163 9.011 1.00 22.30 C ATOM 1112 OD1 ASN A 655 2.714 -7.006 9.845 1.00 23.33 O ATOM 1113 ND2 ASN A 655 2.216 -5.945 7.980 1.00 24.31 N ATOM 0 H ASN A 655 5.253 -6.914 7.478 1.00 20.31 H new ATOM 0 HA ASN A 655 4.072 -4.434 7.191 1.00 63.32 H new ATOM 0 HB2 ASN A 655 4.993 -5.878 9.698 1.00 54.04 H new ATOM 0 HB3 ASN A 655 4.010 -4.427 9.729 1.00 54.04 H new ATOM 0 HD21 ASN A 655 1.360 -6.487 7.861 1.00 24.31 H new ATOM 0 HD22 ASN A 655 2.468 -5.233 7.295 1.00 24.31 H new ATOM 1120 N GLN A 656 7.128 -4.223 8.380 1.00 42.15 N ATOM 1121 CA GLN A 656 8.224 -3.278 8.604 1.00 70.41 C ATOM 1122 C GLN A 656 8.534 -2.518 7.316 1.00 54.15 C ATOM 1123 O GLN A 656 8.667 -1.294 7.317 1.00 61.31 O ATOM 1124 CB GLN A 656 9.473 -4.001 9.099 1.00 30.05 C ATOM 1125 CG GLN A 656 9.317 -4.708 10.438 1.00 52.01 C ATOM 1126 CD GLN A 656 10.601 -5.393 10.892 1.00 43.55 C ATOM 1127 OE1 GLN A 656 10.862 -5.520 12.091 1.00 42.33 O ATOM 1128 NE2 GLN A 656 11.407 -5.840 9.956 1.00 24.14 N ATOM 0 H GLN A 656 7.382 -5.204 8.500 1.00 42.15 H new ATOM 0 HA GLN A 656 7.912 -2.569 9.371 1.00 70.41 H new ATOM 0 HB2 GLN A 656 9.771 -4.735 8.350 1.00 30.05 H new ATOM 0 HB3 GLN A 656 10.285 -3.279 9.179 1.00 30.05 H new ATOM 0 HG2 GLN A 656 9.009 -3.985 11.193 1.00 52.01 H new ATOM 0 HG3 GLN A 656 8.521 -5.449 10.363 1.00 52.01 H new ATOM 0 HE21 GLN A 656 11.163 -5.720 8.973 1.00 24.14 H new ATOM 0 HE22 GLN A 656 12.277 -6.307 10.212 1.00 24.14 H new ATOM 1137 N GLU A 657 8.588 -3.261 6.217 1.00 54.40 N ATOM 1138 CA GLU A 657 8.853 -2.707 4.889 1.00 31.25 C ATOM 1139 C GLU A 657 7.720 -1.767 4.491 1.00 52.04 C ATOM 1140 O GLU A 657 7.931 -0.716 3.867 1.00 45.02 O ATOM 1141 CB GLU A 657 8.920 -3.843 3.862 1.00 14.21 C ATOM 1142 CG GLU A 657 10.031 -4.859 4.074 1.00 71.42 C ATOM 1143 CD GLU A 657 11.404 -4.268 3.913 1.00 72.41 C ATOM 1144 OE1 GLU A 657 11.748 -3.843 2.785 1.00 24.12 O ATOM 1145 OE2 GLU A 657 12.146 -4.198 4.897 1.00 51.24 O ATOM 0 H GLU A 657 8.449 -4.271 6.219 1.00 54.40 H new ATOM 0 HA GLU A 657 9.799 -2.166 4.914 1.00 31.25 H new ATOM 0 HB2 GLU A 657 7.966 -4.369 3.867 1.00 14.21 H new ATOM 0 HB3 GLU A 657 9.037 -3.405 2.871 1.00 14.21 H new ATOM 0 HG2 GLU A 657 9.940 -5.286 5.073 1.00 71.42 H new ATOM 0 HG3 GLU A 657 9.908 -5.677 3.365 1.00 71.42 H new ATOM 1152 N ALA A 658 6.521 -2.168 4.855 1.00 12.13 N ATOM 1153 CA ALA A 658 5.320 -1.443 4.561 1.00 23.11 C ATOM 1154 C ALA A 658 5.324 -0.088 5.232 1.00 14.13 C ATOM 1155 O ALA A 658 4.988 0.904 4.605 1.00 33.13 O ATOM 1156 CB ALA A 658 4.104 -2.254 4.968 1.00 14.02 C ATOM 0 H ALA A 658 6.359 -3.030 5.376 1.00 12.13 H new ATOM 0 HA ALA A 658 5.274 -1.274 3.485 1.00 23.11 H new ATOM 0 HB1 ALA A 658 3.199 -1.692 4.739 1.00 14.02 H new ATOM 0 HB2 ALA A 658 4.095 -3.196 4.420 1.00 14.02 H new ATOM 0 HB3 ALA A 658 4.144 -2.458 6.038 1.00 14.02 H new ATOM 1162 N MET A 659 5.732 -0.045 6.497 1.00 32.33 N ATOM 1163 CA MET A 659 5.818 1.222 7.227 1.00 51.12 C ATOM 1164 C MET A 659 6.748 2.180 6.518 1.00 2.23 C ATOM 1165 O MET A 659 6.424 3.360 6.332 1.00 22.32 O ATOM 1166 CB MET A 659 6.329 1.040 8.643 1.00 64.15 C ATOM 1167 CG MET A 659 5.456 0.210 9.565 1.00 33.41 C ATOM 1168 SD MET A 659 3.787 0.862 9.664 1.00 31.12 S ATOM 1169 CE MET A 659 3.160 0.018 11.099 1.00 31.53 C ATOM 0 H MET A 659 6.007 -0.865 7.037 1.00 32.33 H new ATOM 0 HA MET A 659 4.804 1.621 7.265 1.00 51.12 H new ATOM 0 HB2 MET A 659 7.315 0.578 8.595 1.00 64.15 H new ATOM 0 HB3 MET A 659 6.460 2.025 9.090 1.00 64.15 H new ATOM 0 HG2 MET A 659 5.424 -0.819 9.207 1.00 33.41 H new ATOM 0 HG3 MET A 659 5.898 0.187 10.561 1.00 33.41 H new ATOM 0 HE1 MET A 659 2.194 0.440 11.376 1.00 31.53 H new ATOM 0 HE2 MET A 659 3.042 -1.042 10.875 1.00 31.53 H new ATOM 0 HE3 MET A 659 3.859 0.139 11.926 1.00 31.53 H new ATOM 1179 N GLU A 660 7.900 1.665 6.112 1.00 72.15 N ATOM 1180 CA GLU A 660 8.886 2.454 5.410 1.00 3.40 C ATOM 1181 C GLU A 660 8.314 2.948 4.091 1.00 54.43 C ATOM 1182 O GLU A 660 8.507 4.100 3.722 1.00 24.10 O ATOM 1183 CB GLU A 660 10.153 1.644 5.180 1.00 75.20 C ATOM 1184 CG GLU A 660 10.784 1.135 6.464 1.00 34.54 C ATOM 1185 CD GLU A 660 12.028 0.332 6.216 1.00 33.20 C ATOM 1186 OE1 GLU A 660 11.918 -0.808 5.762 1.00 53.10 O ATOM 1187 OE2 GLU A 660 13.148 0.841 6.454 1.00 33.31 O ATOM 0 H GLU A 660 8.171 0.693 6.262 1.00 72.15 H new ATOM 0 HA GLU A 660 9.145 3.318 6.021 1.00 3.40 H new ATOM 0 HB2 GLU A 660 9.921 0.795 4.536 1.00 75.20 H new ATOM 0 HB3 GLU A 660 10.877 2.260 4.647 1.00 75.20 H new ATOM 0 HG2 GLU A 660 11.024 1.982 7.107 1.00 34.54 H new ATOM 0 HG3 GLU A 660 10.061 0.522 7.002 1.00 34.54 H new ATOM 1194 N THR A 661 7.589 2.074 3.410 1.00 74.32 N ATOM 1195 CA THR A 661 6.932 2.413 2.167 1.00 53.25 C ATOM 1196 C THR A 661 5.910 3.533 2.389 1.00 64.42 C ATOM 1197 O THR A 661 5.925 4.532 1.684 1.00 15.52 O ATOM 1198 CB THR A 661 6.236 1.176 1.572 1.00 61.52 C ATOM 1199 OG1 THR A 661 7.226 0.164 1.330 1.00 24.53 O ATOM 1200 CG2 THR A 661 5.527 1.514 0.264 1.00 60.42 C ATOM 0 H THR A 661 7.442 1.110 3.708 1.00 74.32 H new ATOM 0 HA THR A 661 7.688 2.763 1.464 1.00 53.25 H new ATOM 0 HB THR A 661 5.487 0.821 2.280 1.00 61.52 H new ATOM 0 HG1 THR A 661 7.523 -0.214 2.184 1.00 24.53 H new ATOM 0 HG21 THR A 661 5.045 0.619 -0.131 1.00 60.42 H new ATOM 0 HG22 THR A 661 4.774 2.281 0.446 1.00 60.42 H new ATOM 0 HG23 THR A 661 6.254 1.884 -0.459 1.00 60.42 H new ATOM 1208 N LEU A 662 5.062 3.369 3.409 1.00 22.41 N ATOM 1209 CA LEU A 662 4.033 4.355 3.729 1.00 13.44 C ATOM 1210 C LEU A 662 4.643 5.704 3.973 1.00 73.34 C ATOM 1211 O LEU A 662 4.313 6.667 3.284 1.00 74.03 O ATOM 1212 CB LEU A 662 3.228 3.943 4.977 1.00 23.22 C ATOM 1213 CG LEU A 662 2.401 2.663 4.893 1.00 11.11 C ATOM 1214 CD1 LEU A 662 1.763 2.364 6.241 1.00 71.33 C ATOM 1215 CD2 LEU A 662 1.329 2.786 3.823 1.00 24.24 C ATOM 0 H LEU A 662 5.071 2.558 4.028 1.00 22.41 H new ATOM 0 HA LEU A 662 3.362 4.404 2.871 1.00 13.44 H new ATOM 0 HB2 LEU A 662 3.926 3.838 5.808 1.00 23.22 H new ATOM 0 HB3 LEU A 662 2.554 4.762 5.228 1.00 23.22 H new ATOM 0 HG LEU A 662 3.064 1.841 4.623 1.00 11.11 H new ATOM 0 HD11 LEU A 662 1.175 1.449 6.170 1.00 71.33 H new ATOM 0 HD12 LEU A 662 2.542 2.238 6.992 1.00 71.33 H new ATOM 0 HD13 LEU A 662 1.114 3.191 6.528 1.00 71.33 H new ATOM 0 HD21 LEU A 662 0.751 1.863 3.779 1.00 24.24 H new ATOM 0 HD22 LEU A 662 0.667 3.618 4.065 1.00 24.24 H new ATOM 0 HD23 LEU A 662 1.799 2.966 2.856 1.00 24.24 H new ATOM 1227 N ARG A 663 5.574 5.764 4.911 1.00 2.35 N ATOM 1228 CA ARG A 663 6.193 7.031 5.278 1.00 35.34 C ATOM 1229 C ARG A 663 6.926 7.656 4.084 1.00 70.54 C ATOM 1230 O ARG A 663 6.934 8.876 3.911 1.00 22.55 O ATOM 1231 CB ARG A 663 7.135 6.850 6.465 1.00 32.03 C ATOM 1232 CG ARG A 663 6.445 6.281 7.696 1.00 74.34 C ATOM 1233 CD ARG A 663 7.392 6.178 8.874 1.00 14.14 C ATOM 1234 NE ARG A 663 7.869 7.493 9.292 1.00 44.14 N ATOM 1235 CZ ARG A 663 8.821 7.713 10.196 1.00 73.05 C ATOM 1236 NH1 ARG A 663 9.357 6.695 10.876 1.00 63.15 N ATOM 1237 NH2 ARG A 663 9.207 8.956 10.450 1.00 64.04 N ATOM 0 H ARG A 663 5.918 4.956 5.431 1.00 2.35 H new ATOM 0 HA ARG A 663 5.401 7.718 5.576 1.00 35.34 H new ATOM 0 HB2 ARG A 663 7.951 6.188 6.175 1.00 32.03 H new ATOM 0 HB3 ARG A 663 7.580 7.813 6.718 1.00 32.03 H new ATOM 0 HG2 ARG A 663 5.599 6.914 7.964 1.00 74.34 H new ATOM 0 HG3 ARG A 663 6.044 5.294 7.465 1.00 74.34 H new ATOM 0 HD2 ARG A 663 6.886 5.691 9.708 1.00 14.14 H new ATOM 0 HD3 ARG A 663 8.241 5.550 8.606 1.00 14.14 H new ATOM 0 HE ARG A 663 7.438 8.309 8.856 1.00 44.14 H new ATOM 0 HH11 ARG A 663 9.037 5.742 10.704 1.00 63.15 H new ATOM 0 HH12 ARG A 663 10.086 6.871 11.567 1.00 63.15 H new ATOM 0 HH21 ARG A 663 8.775 9.736 9.954 1.00 64.04 H new ATOM 0 HH22 ARG A 663 9.936 9.132 11.141 1.00 64.04 H new ATOM 1251 N ARG A 664 7.497 6.803 3.246 1.00 4.31 N ATOM 1252 CA ARG A 664 8.202 7.239 2.054 1.00 30.24 C ATOM 1253 C ARG A 664 7.240 7.858 1.079 1.00 61.14 C ATOM 1254 O ARG A 664 7.453 8.958 0.623 1.00 63.12 O ATOM 1255 CB ARG A 664 8.897 6.062 1.389 1.00 33.23 C ATOM 1256 CG ARG A 664 9.688 6.417 0.149 1.00 71.11 C ATOM 1257 CD ARG A 664 10.238 5.171 -0.489 1.00 3.12 C ATOM 1258 NE ARG A 664 11.089 5.460 -1.634 1.00 55.23 N ATOM 1259 CZ ARG A 664 11.575 4.540 -2.470 1.00 61.30 C ATOM 1260 NH1 ARG A 664 11.259 3.249 -2.315 1.00 60.31 N ATOM 1261 NH2 ARG A 664 12.384 4.907 -3.453 1.00 34.42 N ATOM 0 H ARG A 664 7.484 5.791 3.375 1.00 4.31 H new ATOM 0 HA ARG A 664 8.947 7.978 2.350 1.00 30.24 H new ATOM 0 HB2 ARG A 664 9.568 5.598 2.112 1.00 33.23 H new ATOM 0 HB3 ARG A 664 8.147 5.316 1.125 1.00 33.23 H new ATOM 0 HG2 ARG A 664 9.050 6.946 -0.559 1.00 71.11 H new ATOM 0 HG3 ARG A 664 10.504 7.092 0.409 1.00 71.11 H new ATOM 0 HD2 ARG A 664 10.808 4.609 0.251 1.00 3.12 H new ATOM 0 HD3 ARG A 664 9.412 4.534 -0.806 1.00 3.12 H new ATOM 0 HE ARG A 664 11.331 6.435 -1.810 1.00 55.23 H new ATOM 0 HH11 ARG A 664 10.643 2.963 -1.554 1.00 60.31 H new ATOM 0 HH12 ARG A 664 11.634 2.551 -2.958 1.00 60.31 H new ATOM 0 HH21 ARG A 664 12.633 5.889 -3.569 1.00 34.42 H new ATOM 0 HH22 ARG A 664 12.758 4.207 -4.094 1.00 34.42 H new ATOM 1275 N SER A 665 6.169 7.170 0.793 1.00 52.00 N ATOM 1276 CA SER A 665 5.214 7.641 -0.159 1.00 54.15 C ATOM 1277 C SER A 665 4.529 8.904 0.322 1.00 45.13 C ATOM 1278 O SER A 665 4.214 9.759 -0.471 1.00 71.04 O ATOM 1279 CB SER A 665 4.210 6.554 -0.506 1.00 14.34 C ATOM 1280 OG SER A 665 4.868 5.462 -1.108 1.00 3.24 O ATOM 0 H SER A 665 5.938 6.270 1.214 1.00 52.00 H new ATOM 0 HA SER A 665 5.751 7.897 -1.073 1.00 54.15 H new ATOM 0 HB2 SER A 665 3.692 6.225 0.395 1.00 14.34 H new ATOM 0 HB3 SER A 665 3.452 6.950 -1.182 1.00 14.34 H new ATOM 0 HG SER A 665 5.067 5.675 -2.044 1.00 3.24 H new ATOM 1286 N MET A 666 4.334 9.034 1.614 1.00 73.44 N ATOM 1287 CA MET A 666 3.708 10.233 2.158 1.00 65.31 C ATOM 1288 C MET A 666 4.621 11.434 1.983 1.00 0.05 C ATOM 1289 O MET A 666 4.181 12.514 1.596 1.00 24.32 O ATOM 1290 CB MET A 666 3.411 10.063 3.640 1.00 55.50 C ATOM 1291 CG MET A 666 2.498 8.907 3.970 1.00 24.24 C ATOM 1292 SD MET A 666 2.241 8.734 5.717 1.00 71.45 S ATOM 1293 CE MET A 666 1.454 10.288 6.074 1.00 61.43 C ATOM 0 H MET A 666 4.595 8.335 2.309 1.00 73.44 H new ATOM 0 HA MET A 666 2.776 10.393 1.616 1.00 65.31 H new ATOM 0 HB2 MET A 666 4.352 9.929 4.173 1.00 55.50 H new ATOM 0 HB3 MET A 666 2.961 10.982 4.015 1.00 55.50 H new ATOM 0 HG2 MET A 666 1.537 9.052 3.476 1.00 24.24 H new ATOM 0 HG3 MET A 666 2.924 7.985 3.574 1.00 24.24 H new ATOM 0 HE1 MET A 666 0.913 10.214 7.018 1.00 61.43 H new ATOM 0 HE2 MET A 666 2.210 11.070 6.149 1.00 61.43 H new ATOM 0 HE3 MET A 666 0.756 10.534 5.274 1.00 61.43 H new ATOM 1303 N SER A 667 5.890 11.220 2.228 1.00 40.03 N ATOM 1304 CA SER A 667 6.866 12.274 2.170 1.00 23.31 C ATOM 1305 C SER A 667 7.292 12.548 0.717 1.00 75.21 C ATOM 1306 O SER A 667 7.290 13.695 0.257 1.00 40.42 O ATOM 1307 CB SER A 667 8.079 11.871 3.033 1.00 23.24 C ATOM 1308 OG SER A 667 9.038 12.906 3.132 1.00 12.41 O ATOM 0 H SER A 667 6.274 10.307 2.474 1.00 40.03 H new ATOM 0 HA SER A 667 6.432 13.195 2.559 1.00 23.31 H new ATOM 0 HB2 SER A 667 7.737 11.600 4.032 1.00 23.24 H new ATOM 0 HB3 SER A 667 8.548 10.985 2.605 1.00 23.24 H new ATOM 0 HG SER A 667 9.787 12.606 3.689 1.00 12.41 H new ATOM 1314 N THR A 668 7.617 11.497 -0.006 1.00 5.32 N ATOM 1315 CA THR A 668 8.121 11.620 -1.350 1.00 73.31 C ATOM 1316 C THR A 668 7.012 11.936 -2.355 1.00 11.05 C ATOM 1317 O THR A 668 7.082 12.916 -3.093 1.00 3.13 O ATOM 1318 CB THR A 668 8.843 10.325 -1.769 1.00 2.33 C ATOM 1319 OG1 THR A 668 9.895 10.028 -0.830 1.00 33.12 O ATOM 1320 CG2 THR A 668 9.436 10.442 -3.161 1.00 45.21 C ATOM 0 H THR A 668 7.538 10.535 0.325 1.00 5.32 H new ATOM 0 HA THR A 668 8.823 12.453 -1.355 1.00 73.31 H new ATOM 0 HB THR A 668 8.107 9.521 -1.776 1.00 2.33 H new ATOM 0 HG1 THR A 668 9.514 9.590 -0.040 1.00 33.12 H new ATOM 0 HG21 THR A 668 9.937 9.510 -3.422 1.00 45.21 H new ATOM 0 HG22 THR A 668 8.641 10.640 -3.880 1.00 45.21 H new ATOM 0 HG23 THR A 668 10.156 11.260 -3.182 1.00 45.21 H new ATOM 1328 N GLU A 669 5.991 11.127 -2.356 1.00 2.42 N ATOM 1329 CA GLU A 669 4.940 11.236 -3.360 1.00 11.31 C ATOM 1330 C GLU A 669 3.796 12.144 -2.901 1.00 43.43 C ATOM 1331 O GLU A 669 3.269 12.936 -3.687 1.00 23.44 O ATOM 1332 CB GLU A 669 4.435 9.840 -3.707 1.00 44.33 C ATOM 1333 CG GLU A 669 5.546 8.922 -4.192 1.00 51.43 C ATOM 1334 CD GLU A 669 5.091 7.515 -4.470 1.00 43.32 C ATOM 1335 OE1 GLU A 669 5.101 6.689 -3.541 1.00 21.55 O ATOM 1336 OE2 GLU A 669 4.757 7.209 -5.633 1.00 14.31 O ATOM 0 H GLU A 669 5.853 10.379 -1.676 1.00 2.42 H new ATOM 0 HA GLU A 669 5.359 11.702 -4.252 1.00 11.31 H new ATOM 0 HB2 GLU A 669 3.962 9.400 -2.829 1.00 44.33 H new ATOM 0 HB3 GLU A 669 3.668 9.916 -4.478 1.00 44.33 H new ATOM 0 HG2 GLU A 669 5.980 9.340 -5.100 1.00 51.43 H new ATOM 0 HG3 GLU A 669 6.337 8.897 -3.443 1.00 51.43 H new ATOM 1343 N GLY A 670 3.437 12.030 -1.629 1.00 61.24 N ATOM 1344 CA GLY A 670 2.350 12.811 -1.061 1.00 32.42 C ATOM 1345 C GLY A 670 2.568 14.289 -1.223 1.00 21.34 C ATOM 1346 O GLY A 670 1.754 14.983 -1.868 1.00 41.05 O ATOM 0 H GLY A 670 3.888 11.398 -0.968 1.00 61.24 H new ATOM 0 HA2 GLY A 670 1.413 12.529 -1.541 1.00 32.42 H new ATOM 0 HA3 GLY A 670 2.250 12.574 -0.002 1.00 32.42 H new ATOM 1350 N ASN A 671 3.666 14.783 -0.686 1.00 53.34 N ATOM 1351 CA ASN A 671 3.987 16.192 -0.816 1.00 34.24 C ATOM 1352 C ASN A 671 4.624 16.459 -2.179 1.00 32.44 C ATOM 1353 O ASN A 671 5.839 16.657 -2.302 1.00 14.10 O ATOM 1354 CB ASN A 671 4.866 16.695 0.344 1.00 5.31 C ATOM 1355 CG ASN A 671 5.173 18.188 0.266 1.00 73.42 C ATOM 1356 OD1 ASN A 671 4.390 18.978 -0.269 1.00 13.20 O ATOM 1357 ND2 ASN A 671 6.291 18.587 0.811 1.00 51.34 N ATOM 0 H ASN A 671 4.347 14.236 -0.159 1.00 53.34 H new ATOM 0 HA ASN A 671 3.059 16.761 -0.757 1.00 34.24 H new ATOM 0 HB2 ASN A 671 4.365 16.483 1.289 1.00 5.31 H new ATOM 0 HB3 ASN A 671 5.803 16.138 0.348 1.00 5.31 H new ATOM 0 HD21 ASN A 671 6.538 19.577 0.802 1.00 51.34 H new ATOM 0 HD22 ASN A 671 6.917 17.909 1.245 1.00 51.34 H new ATOM 1364 N LYS A 672 3.792 16.334 -3.189 1.00 71.22 N ATOM 1365 CA LYS A 672 4.125 16.540 -4.571 1.00 51.21 C ATOM 1366 C LYS A 672 2.841 16.421 -5.378 1.00 4.22 C ATOM 1367 O LYS A 672 2.472 17.320 -6.127 1.00 40.04 O ATOM 1368 CB LYS A 672 5.099 15.470 -5.030 1.00 62.31 C ATOM 1369 CG LYS A 672 5.497 15.572 -6.474 1.00 11.51 C ATOM 1370 CD LYS A 672 6.389 14.430 -6.831 1.00 15.42 C ATOM 1371 CE LYS A 672 6.817 14.493 -8.281 1.00 43.31 C ATOM 1372 NZ LYS A 672 7.705 13.374 -8.634 1.00 41.23 N ATOM 0 H LYS A 672 2.815 16.072 -3.056 1.00 71.22 H new ATOM 0 HA LYS A 672 4.584 17.519 -4.708 1.00 51.21 H new ATOM 0 HB2 LYS A 672 5.996 15.524 -4.414 1.00 62.31 H new ATOM 0 HB3 LYS A 672 4.652 14.491 -4.857 1.00 62.31 H new ATOM 0 HG2 LYS A 672 4.610 15.565 -7.107 1.00 11.51 H new ATOM 0 HG3 LYS A 672 6.010 16.517 -6.654 1.00 11.51 H new ATOM 0 HD2 LYS A 672 7.270 14.441 -6.190 1.00 15.42 H new ATOM 0 HD3 LYS A 672 5.870 13.490 -6.644 1.00 15.42 H new ATOM 0 HE2 LYS A 672 5.936 14.475 -8.922 1.00 43.31 H new ATOM 0 HE3 LYS A 672 7.328 15.437 -8.469 1.00 43.31 H new ATOM 0 HZ1 LYS A 672 7.978 13.450 -9.635 1.00 41.23 H new ATOM 0 HZ2 LYS A 672 8.557 13.406 -8.039 1.00 41.23 H new ATOM 0 HZ3 LYS A 672 7.208 12.474 -8.478 1.00 41.23 H new ATOM 1386 N ARG A 673 2.144 15.296 -5.182 1.00 73.03 N ATOM 1387 CA ARG A 673 0.881 15.011 -5.878 1.00 11.12 C ATOM 1388 C ARG A 673 -0.223 15.965 -5.410 1.00 73.11 C ATOM 1389 O ARG A 673 -1.230 16.158 -6.100 1.00 42.14 O ATOM 1390 CB ARG A 673 0.446 13.552 -5.628 1.00 24.30 C ATOM 1391 CG ARG A 673 1.428 12.490 -6.129 1.00 14.43 C ATOM 1392 CD ARG A 673 1.540 12.472 -7.646 1.00 73.12 C ATOM 1393 NE ARG A 673 0.285 12.051 -8.288 1.00 14.12 N ATOM 1394 CZ ARG A 673 0.103 11.948 -9.614 1.00 0.42 C ATOM 1395 NH1 ARG A 673 1.083 12.273 -10.453 1.00 22.23 N ATOM 1396 NH2 ARG A 673 -1.063 11.520 -10.091 1.00 30.21 N ATOM 0 H ARG A 673 2.437 14.560 -4.540 1.00 73.03 H new ATOM 0 HA ARG A 673 1.044 15.158 -6.946 1.00 11.12 H new ATOM 0 HB2 ARG A 673 0.297 13.411 -4.557 1.00 24.30 H new ATOM 0 HB3 ARG A 673 -0.519 13.389 -6.108 1.00 24.30 H new ATOM 0 HG2 ARG A 673 2.411 12.676 -5.697 1.00 14.43 H new ATOM 0 HG3 ARG A 673 1.107 11.509 -5.780 1.00 14.43 H new ATOM 0 HD2 ARG A 673 1.813 13.466 -8.001 1.00 73.12 H new ATOM 0 HD3 ARG A 673 2.343 11.796 -7.942 1.00 73.12 H new ATOM 0 HE ARG A 673 -0.503 11.821 -7.682 1.00 14.12 H new ATOM 0 HH11 ARG A 673 1.977 12.602 -10.089 1.00 22.23 H new ATOM 0 HH12 ARG A 673 0.940 12.193 -11.460 1.00 22.23 H new ATOM 0 HH21 ARG A 673 -1.816 11.271 -9.450 1.00 30.21 H new ATOM 0 HH22 ARG A 673 -1.204 11.441 -11.098 1.00 30.21 H new ATOM 1410 N GLY A 674 -0.040 16.531 -4.225 1.00 25.11 N ATOM 1411 CA GLY A 674 -1.002 17.473 -3.672 1.00 14.32 C ATOM 1412 C GLY A 674 -1.941 16.782 -2.728 1.00 14.23 C ATOM 1413 O GLY A 674 -2.437 17.359 -1.755 1.00 64.53 O ATOM 0 H GLY A 674 0.767 16.354 -3.628 1.00 25.11 H new ATOM 0 HA2 GLY A 674 -0.476 18.272 -3.149 1.00 14.32 H new ATOM 0 HA3 GLY A 674 -1.568 17.938 -4.479 1.00 14.32 H new ATOM 1417 N MET A 675 -2.168 15.541 -3.014 1.00 50.34 N ATOM 1418 CA MET A 675 -2.984 14.700 -2.218 1.00 60.21 C ATOM 1419 C MET A 675 -2.393 13.324 -2.231 1.00 34.44 C ATOM 1420 O MET A 675 -1.671 12.957 -3.168 1.00 11.43 O ATOM 1421 CB MET A 675 -4.446 14.677 -2.710 1.00 44.31 C ATOM 1422 CG MET A 675 -4.635 14.181 -4.130 1.00 53.45 C ATOM 1423 SD MET A 675 -6.367 14.162 -4.644 1.00 61.22 S ATOM 1424 CE MET A 675 -6.794 15.900 -4.470 1.00 24.24 C ATOM 0 H MET A 675 -1.777 15.076 -3.833 1.00 50.34 H new ATOM 0 HA MET A 675 -3.010 15.089 -1.200 1.00 60.21 H new ATOM 0 HB2 MET A 675 -5.029 14.046 -2.040 1.00 44.31 H new ATOM 0 HB3 MET A 675 -4.855 15.685 -2.635 1.00 44.31 H new ATOM 0 HG2 MET A 675 -4.067 14.816 -4.810 1.00 53.45 H new ATOM 0 HG3 MET A 675 -4.225 13.175 -4.216 1.00 53.45 H new ATOM 0 HE1 MET A 675 -7.670 16.122 -5.079 1.00 24.24 H new ATOM 0 HE2 MET A 675 -7.014 16.118 -3.425 1.00 24.24 H new ATOM 0 HE3 MET A 675 -5.957 16.515 -4.800 1.00 24.24 H new ATOM 1434 N ILE A 676 -2.682 12.589 -1.231 1.00 44.41 N ATOM 1435 CA ILE A 676 -2.196 11.267 -1.089 1.00 52.05 C ATOM 1436 C ILE A 676 -3.339 10.292 -1.261 1.00 2.21 C ATOM 1437 O ILE A 676 -4.418 10.475 -0.716 1.00 13.14 O ATOM 1438 CB ILE A 676 -1.478 11.058 0.287 1.00 0.02 C ATOM 1439 CG1 ILE A 676 -1.140 9.578 0.490 1.00 32.53 C ATOM 1440 CG2 ILE A 676 -2.326 11.579 1.407 1.00 74.41 C ATOM 1441 CD1 ILE A 676 -0.342 9.255 1.710 1.00 13.44 C ATOM 0 H ILE A 676 -3.280 12.894 -0.463 1.00 44.41 H new ATOM 0 HA ILE A 676 -1.450 11.086 -1.863 1.00 52.05 H new ATOM 0 HB ILE A 676 -0.545 11.621 0.285 1.00 0.02 H new ATOM 0 HG12 ILE A 676 -2.072 9.014 0.529 1.00 32.53 H new ATOM 0 HG13 ILE A 676 -0.591 9.227 -0.384 1.00 32.53 H new ATOM 0 HG21 ILE A 676 -1.811 11.425 2.355 1.00 74.41 H new ATOM 0 HG22 ILE A 676 -2.507 12.644 1.261 1.00 74.41 H new ATOM 0 HG23 ILE A 676 -3.278 11.047 1.421 1.00 74.41 H new ATOM 0 HD11 ILE A 676 -0.161 8.181 1.753 1.00 13.44 H new ATOM 0 HD12 ILE A 676 0.611 9.782 1.671 1.00 13.44 H new ATOM 0 HD13 ILE A 676 -0.893 9.566 2.598 1.00 13.44 H new ATOM 1453 N GLN A 677 -3.101 9.299 -2.032 1.00 65.41 N ATOM 1454 CA GLN A 677 -4.102 8.330 -2.354 1.00 20.12 C ATOM 1455 C GLN A 677 -3.892 7.069 -1.540 1.00 62.53 C ATOM 1456 O GLN A 677 -2.814 6.512 -1.525 1.00 24.21 O ATOM 1457 CB GLN A 677 -4.041 8.020 -3.839 1.00 23.31 C ATOM 1458 CG GLN A 677 -5.107 7.067 -4.299 1.00 11.25 C ATOM 1459 CD GLN A 677 -5.063 6.819 -5.784 1.00 34.50 C ATOM 1460 OE1 GLN A 677 -4.409 5.892 -6.250 1.00 2.11 O ATOM 1461 NE2 GLN A 677 -5.722 7.653 -6.541 1.00 11.35 N ATOM 0 H GLN A 677 -2.196 9.125 -2.468 1.00 65.41 H new ATOM 0 HA GLN A 677 -5.086 8.732 -2.112 1.00 20.12 H new ATOM 0 HB2 GLN A 677 -4.131 8.950 -4.400 1.00 23.31 H new ATOM 0 HB3 GLN A 677 -3.063 7.599 -4.074 1.00 23.31 H new ATOM 0 HG2 GLN A 677 -4.993 6.119 -3.773 1.00 11.25 H new ATOM 0 HG3 GLN A 677 -6.085 7.465 -4.030 1.00 11.25 H new ATOM 0 HE21 GLN A 677 -6.256 8.413 -6.119 1.00 11.35 H new ATOM 0 HE22 GLN A 677 -5.704 7.545 -7.555 1.00 11.35 H new ATOM 1470 N LEU A 678 -4.899 6.643 -0.850 1.00 63.41 N ATOM 1471 CA LEU A 678 -4.808 5.444 -0.064 1.00 62.33 C ATOM 1472 C LEU A 678 -5.829 4.456 -0.572 1.00 3.12 C ATOM 1473 O LEU A 678 -7.024 4.771 -0.650 1.00 52.43 O ATOM 1474 CB LEU A 678 -5.081 5.700 1.449 1.00 2.13 C ATOM 1475 CG LEU A 678 -4.265 6.781 2.184 1.00 31.51 C ATOM 1476 CD1 LEU A 678 -2.787 6.532 2.051 1.00 21.51 C ATOM 1477 CD2 LEU A 678 -4.648 8.190 1.739 1.00 3.32 C ATOM 0 H LEU A 678 -5.805 7.109 -0.811 1.00 63.41 H new ATOM 0 HA LEU A 678 -3.792 5.062 -0.161 1.00 62.33 H new ATOM 0 HB2 LEU A 678 -6.135 5.956 1.554 1.00 2.13 H new ATOM 0 HB3 LEU A 678 -4.927 4.758 1.975 1.00 2.13 H new ATOM 0 HG LEU A 678 -4.514 6.712 3.243 1.00 31.51 H new ATOM 0 HD11 LEU A 678 -2.238 7.311 2.580 1.00 21.51 H new ATOM 0 HD12 LEU A 678 -2.542 5.560 2.480 1.00 21.51 H new ATOM 0 HD13 LEU A 678 -2.509 6.544 0.997 1.00 21.51 H new ATOM 0 HD21 LEU A 678 -4.048 8.919 2.283 1.00 3.32 H new ATOM 0 HD22 LEU A 678 -4.466 8.296 0.670 1.00 3.32 H new ATOM 0 HD23 LEU A 678 -5.704 8.363 1.946 1.00 3.32 H new ATOM 1489 N ILE A 679 -5.381 3.299 -0.937 1.00 51.11 N ATOM 1490 CA ILE A 679 -6.272 2.255 -1.353 1.00 62.22 C ATOM 1491 C ILE A 679 -6.336 1.259 -0.226 1.00 21.24 C ATOM 1492 O ILE A 679 -5.317 0.660 0.131 1.00 63.10 O ATOM 1493 CB ILE A 679 -5.833 1.512 -2.675 1.00 54.04 C ATOM 1494 CG1 ILE A 679 -5.748 2.451 -3.905 1.00 73.13 C ATOM 1495 CG2 ILE A 679 -6.789 0.371 -2.980 1.00 34.20 C ATOM 1496 CD1 ILE A 679 -4.612 3.449 -3.884 1.00 40.21 C ATOM 0 H ILE A 679 -4.393 3.047 -0.957 1.00 51.11 H new ATOM 0 HA ILE A 679 -7.236 2.710 -1.580 1.00 62.22 H new ATOM 0 HB ILE A 679 -4.830 1.129 -2.490 1.00 54.04 H new ATOM 0 HG12 ILE A 679 -5.654 1.839 -4.802 1.00 73.13 H new ATOM 0 HG13 ILE A 679 -6.687 2.998 -3.989 1.00 73.13 H new ATOM 0 HG21 ILE A 679 -6.475 -0.133 -3.894 1.00 34.20 H new ATOM 0 HG22 ILE A 679 -6.783 -0.340 -2.154 1.00 34.20 H new ATOM 0 HG23 ILE A 679 -7.796 0.766 -3.111 1.00 34.20 H new ATOM 0 HD11 ILE A 679 -4.644 4.056 -4.789 1.00 40.21 H new ATOM 0 HD12 ILE A 679 -4.711 4.094 -3.011 1.00 40.21 H new ATOM 0 HD13 ILE A 679 -3.662 2.917 -3.837 1.00 40.21 H new ATOM 1508 N VAL A 680 -7.490 1.093 0.339 1.00 65.24 N ATOM 1509 CA VAL A 680 -7.660 0.210 1.466 1.00 4.53 C ATOM 1510 C VAL A 680 -8.716 -0.833 1.154 1.00 54.52 C ATOM 1511 O VAL A 680 -9.600 -0.601 0.335 1.00 22.43 O ATOM 1512 CB VAL A 680 -8.030 0.989 2.760 1.00 65.52 C ATOM 1513 CG1 VAL A 680 -6.907 1.939 3.152 1.00 33.11 C ATOM 1514 CG2 VAL A 680 -9.325 1.762 2.584 1.00 72.21 C ATOM 0 H VAL A 680 -8.344 1.562 0.038 1.00 65.24 H new ATOM 0 HA VAL A 680 -6.707 -0.287 1.647 1.00 4.53 H new ATOM 0 HB VAL A 680 -8.172 0.259 3.557 1.00 65.52 H new ATOM 0 HG11 VAL A 680 -7.184 2.475 4.060 1.00 33.11 H new ATOM 0 HG12 VAL A 680 -5.995 1.370 3.331 1.00 33.11 H new ATOM 0 HG13 VAL A 680 -6.737 2.653 2.346 1.00 33.11 H new ATOM 0 HG21 VAL A 680 -9.558 2.296 3.505 1.00 72.21 H new ATOM 0 HG22 VAL A 680 -9.214 2.476 1.768 1.00 72.21 H new ATOM 0 HG23 VAL A 680 -10.134 1.069 2.352 1.00 72.21 H new ATOM 1524 N ALA A 681 -8.614 -1.961 1.775 1.00 22.43 N ATOM 1525 CA ALA A 681 -9.509 -3.053 1.522 1.00 45.22 C ATOM 1526 C ALA A 681 -10.383 -3.356 2.713 1.00 11.01 C ATOM 1527 O ALA A 681 -9.980 -3.168 3.874 1.00 64.34 O ATOM 1528 CB ALA A 681 -8.737 -4.297 1.120 1.00 52.45 C ATOM 0 H ALA A 681 -7.903 -2.158 2.479 1.00 22.43 H new ATOM 0 HA ALA A 681 -10.157 -2.749 0.700 1.00 45.22 H new ATOM 0 HB1 ALA A 681 -9.435 -5.113 0.933 1.00 52.45 H new ATOM 0 HB2 ALA A 681 -8.165 -4.094 0.215 1.00 52.45 H new ATOM 0 HB3 ALA A 681 -8.056 -4.578 1.924 1.00 52.45 H new ATOM 1534 N ARG A 682 -11.583 -3.781 2.428 1.00 24.43 N ATOM 1535 CA ARG A 682 -12.495 -4.233 3.441 1.00 10.24 C ATOM 1536 C ARG A 682 -13.211 -5.440 2.933 1.00 35.33 C ATOM 1537 O ARG A 682 -13.335 -5.622 1.722 1.00 70.23 O ATOM 1538 CB ARG A 682 -13.559 -3.195 3.793 1.00 41.23 C ATOM 1539 CG ARG A 682 -14.517 -2.896 2.668 1.00 53.21 C ATOM 1540 CD ARG A 682 -15.739 -2.204 3.179 1.00 1.34 C ATOM 1541 NE ARG A 682 -16.687 -1.885 2.113 1.00 65.23 N ATOM 1542 CZ ARG A 682 -17.586 -0.903 2.152 1.00 43.04 C ATOM 1543 NH1 ARG A 682 -17.594 -0.034 3.156 1.00 11.20 N ATOM 1544 NH2 ARG A 682 -18.448 -0.777 1.158 1.00 13.03 N ATOM 0 H ARG A 682 -11.958 -3.824 1.480 1.00 24.43 H new ATOM 0 HA ARG A 682 -11.903 -4.436 4.333 1.00 10.24 H new ATOM 0 HB2 ARG A 682 -14.125 -3.548 4.655 1.00 41.23 H new ATOM 0 HB3 ARG A 682 -13.065 -2.270 4.092 1.00 41.23 H new ATOM 0 HG2 ARG A 682 -14.025 -2.271 1.922 1.00 53.21 H new ATOM 0 HG3 ARG A 682 -14.800 -3.823 2.170 1.00 53.21 H new ATOM 0 HD2 ARG A 682 -16.229 -2.837 3.919 1.00 1.34 H new ATOM 0 HD3 ARG A 682 -15.447 -1.286 3.688 1.00 1.34 H new ATOM 0 HE ARG A 682 -16.658 -2.461 1.272 1.00 65.23 H new ATOM 0 HH11 ARG A 682 -16.908 -0.115 3.906 1.00 11.20 H new ATOM 0 HH12 ARG A 682 -18.286 0.715 3.177 1.00 11.20 H new ATOM 0 HH21 ARG A 682 -18.420 -1.428 0.373 1.00 13.03 H new ATOM 0 HH22 ARG A 682 -19.141 -0.029 1.176 1.00 13.03 H new ATOM 1839 N GLU B 780 3.697 -3.770 14.917 1.00 74.31 N ATOM 1840 CA GLU B 780 4.258 -2.478 14.677 1.00 24.13 C ATOM 1841 C GLU B 780 3.179 -1.484 14.374 1.00 23.23 C ATOM 1842 O GLU B 780 2.322 -1.709 13.535 1.00 23.44 O ATOM 1843 CB GLU B 780 5.427 -2.465 13.644 1.00 41.14 C ATOM 1844 CG GLU B 780 5.164 -3.149 12.309 1.00 22.53 C ATOM 1845 CD GLU B 780 5.131 -4.675 12.404 1.00 11.34 C ATOM 1846 OE1 GLU B 780 4.077 -5.223 12.740 1.00 14.12 O ATOM 1847 OE2 GLU B 780 6.183 -5.337 12.162 1.00 25.34 O ATOM 0 HA GLU B 780 4.742 -2.169 15.604 1.00 24.13 H new ATOM 0 HB2 GLU B 780 5.697 -1.427 13.448 1.00 41.14 H new ATOM 0 HB3 GLU B 780 6.294 -2.938 14.105 1.00 41.14 H new ATOM 0 HG2 GLU B 780 4.213 -2.797 11.910 1.00 22.53 H new ATOM 0 HG3 GLU B 780 5.937 -2.853 11.599 1.00 22.53 H new ATOM 1854 N GLU B 781 3.215 -0.416 15.104 1.00 50.32 N ATOM 1855 CA GLU B 781 2.241 0.646 15.034 1.00 43.33 C ATOM 1856 C GLU B 781 2.894 1.918 14.601 1.00 2.34 C ATOM 1857 O GLU B 781 3.959 2.293 15.104 1.00 24.21 O ATOM 1858 CB GLU B 781 1.546 0.814 16.389 1.00 72.12 C ATOM 1859 CG GLU B 781 0.551 -0.286 16.697 1.00 52.14 C ATOM 1860 CD GLU B 781 0.162 -0.389 18.151 1.00 62.33 C ATOM 1861 OE1 GLU B 781 0.901 -1.008 18.930 1.00 64.53 O ATOM 1862 OE2 GLU B 781 -0.897 0.133 18.539 1.00 60.41 O ATOM 0 H GLU B 781 3.947 -0.245 15.793 1.00 50.32 H new ATOM 0 HA GLU B 781 1.483 0.387 14.294 1.00 43.33 H new ATOM 0 HB2 GLU B 781 2.301 0.841 17.175 1.00 72.12 H new ATOM 0 HB3 GLU B 781 1.031 1.775 16.408 1.00 72.12 H new ATOM 0 HG2 GLU B 781 -0.349 -0.121 16.104 1.00 52.14 H new ATOM 0 HG3 GLU B 781 0.972 -1.239 16.378 1.00 52.14 H new ATOM 1869 N LEU B 782 2.290 2.558 13.664 1.00 73.42 N ATOM 1870 CA LEU B 782 2.783 3.747 13.122 1.00 24.10 C ATOM 1871 C LEU B 782 1.676 4.771 13.001 1.00 21.22 C ATOM 1872 O LEU B 782 0.592 4.466 12.529 1.00 31.34 O ATOM 1873 CB LEU B 782 3.344 3.436 11.758 1.00 3.33 C ATOM 1874 CG LEU B 782 3.786 4.595 10.934 1.00 72.15 C ATOM 1875 CD1 LEU B 782 4.931 5.320 11.596 1.00 41.34 C ATOM 1876 CD2 LEU B 782 4.135 4.142 9.549 1.00 32.32 C ATOM 0 H LEU B 782 1.411 2.248 13.249 1.00 73.42 H new ATOM 0 HA LEU B 782 3.556 4.160 13.770 1.00 24.10 H new ATOM 0 HB2 LEU B 782 4.194 2.766 11.885 1.00 3.33 H new ATOM 0 HB3 LEU B 782 2.587 2.888 11.196 1.00 3.33 H new ATOM 0 HG LEU B 782 2.963 5.305 10.854 1.00 72.15 H new ATOM 0 HD11 LEU B 782 5.236 6.162 10.975 1.00 41.34 H new ATOM 0 HD12 LEU B 782 4.614 5.685 12.573 1.00 41.34 H new ATOM 0 HD13 LEU B 782 5.772 4.637 11.719 1.00 41.34 H new ATOM 0 HD21 LEU B 782 4.457 4.998 8.956 1.00 32.32 H new ATOM 0 HD22 LEU B 782 4.942 3.411 9.598 1.00 32.32 H new ATOM 0 HD23 LEU B 782 3.261 3.687 9.084 1.00 32.32 H new ATOM 1888 N ILE B 783 1.932 5.945 13.458 1.00 25.52 N ATOM 1889 CA ILE B 783 1.014 7.028 13.267 1.00 0.35 C ATOM 1890 C ILE B 783 1.450 7.803 12.050 1.00 60.32 C ATOM 1891 O ILE B 783 2.611 8.222 11.954 1.00 64.04 O ATOM 1892 CB ILE B 783 0.916 8.013 14.493 1.00 23.43 C ATOM 1893 CG1 ILE B 783 0.326 7.334 15.756 1.00 21.44 C ATOM 1894 CG2 ILE B 783 0.093 9.260 14.134 1.00 43.01 C ATOM 1895 CD1 ILE B 783 1.196 6.268 16.403 1.00 23.24 C ATOM 0 H ILE B 783 2.778 6.189 13.974 1.00 25.52 H new ATOM 0 HA ILE B 783 0.023 6.590 13.148 1.00 0.35 H new ATOM 0 HB ILE B 783 1.937 8.314 14.729 1.00 23.43 H new ATOM 0 HG12 ILE B 783 0.119 8.106 16.497 1.00 21.44 H new ATOM 0 HG13 ILE B 783 -0.630 6.883 15.490 1.00 21.44 H new ATOM 0 HG21 ILE B 783 0.041 9.923 14.998 1.00 43.01 H new ATOM 0 HG22 ILE B 783 0.568 9.783 13.304 1.00 43.01 H new ATOM 0 HG23 ILE B 783 -0.915 8.960 13.846 1.00 43.01 H new ATOM 0 HD11 ILE B 783 0.685 5.862 17.276 1.00 23.24 H new ATOM 0 HD12 ILE B 783 1.383 5.468 15.687 1.00 23.24 H new ATOM 0 HD13 ILE B 783 2.144 6.709 16.710 1.00 23.24 H new ATOM 1907 N ILE B 784 0.553 7.969 11.126 1.00 33.30 N ATOM 1908 CA ILE B 784 0.822 8.715 9.957 1.00 72.14 C ATOM 1909 C ILE B 784 0.087 10.024 10.047 1.00 54.23 C ATOM 1910 O ILE B 784 0.656 10.972 10.601 1.00 37.17 O ATOM 1911 CB ILE B 784 0.513 7.927 8.631 1.00 72.34 C ATOM 1912 CG1 ILE B 784 -0.896 7.295 8.643 1.00 14.11 C ATOM 1913 CG2 ILE B 784 1.588 6.873 8.363 1.00 2.05 C ATOM 1914 CD1 ILE B 784 -1.238 6.520 7.385 1.00 5.12 C ATOM 1915 OXT ILE B 784 -1.064 10.110 9.625 1.00 37.17 O ATOM 0 H ILE B 784 -0.390 7.583 11.172 1.00 33.30 H new ATOM 0 HA ILE B 784 1.893 8.909 9.903 1.00 72.14 H new ATOM 0 HB ILE B 784 0.529 8.649 7.815 1.00 72.34 H new ATOM 0 HG12 ILE B 784 -0.976 6.627 9.501 1.00 14.11 H new ATOM 0 HG13 ILE B 784 -1.635 8.084 8.783 1.00 14.11 H new ATOM 0 HG21 ILE B 784 1.354 6.341 7.441 1.00 2.05 H new ATOM 0 HG22 ILE B 784 2.558 7.360 8.264 1.00 2.05 H new ATOM 0 HG23 ILE B 784 1.619 6.166 9.192 1.00 2.05 H new ATOM 0 HD11 ILE B 784 -2.243 6.108 7.473 1.00 5.12 H new ATOM 0 HD12 ILE B 784 -1.193 7.186 6.524 1.00 5.12 H new ATOM 0 HD13 ILE B 784 -0.524 5.707 7.253 1.00 5.12 H new