USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 792 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 18 THR OG1 : rot -73:sc= 0.836 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.729 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 20:sc= 0.599 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -7.37! C(o=-7.4!,f=-8.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= -0.36 (180deg=-1.75!) USER MOD Single : A 42 MET CE :methyl -137:sc= -0.299 (180deg=-2.82!) USER MOD Single : A 43 MET CE :methyl -144:sc= -0.562 (180deg=-1.31) USER MOD Single : A 49 ASN : amide:sc= -2.73! C(o=-2.7!,f=-11!) USER MOD Single : A 51 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0811 K(o=-0.081,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.049) USER MOD Single : A 89 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.26) USER MOD Single : A 96 SER OG : rot -25:sc= 0.595 USER MOD Single : A 98 LYS NZ :NH3+ -156:sc= -0.142 (180deg=-0.635) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.165 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.847 -26.486 -13.657 1.00 0.00 N ATOM 2 CA GLY A 1 15.281 -27.486 -14.615 1.00 0.00 C ATOM 3 C GLY A 1 14.366 -28.693 -14.648 1.00 0.00 C ATOM 4 O GLY A 1 13.508 -28.807 -15.523 1.00 0.00 O ATOM 0 H1 GLY A 1 15.506 -25.681 -13.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.892 -26.157 -13.907 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.832 -26.902 -12.704 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.323 -27.039 -15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.293 -27.807 -14.367 1.00 0.00 H new ATOM 8 N SER A 2 14.550 -29.599 -13.693 1.00 0.00 N ATOM 9 CA SER A 2 13.738 -30.808 -13.619 1.00 0.00 C ATOM 10 C SER A 2 12.857 -30.796 -12.373 1.00 0.00 C ATOM 11 O SER A 2 12.712 -31.811 -11.693 1.00 0.00 O ATOM 12 CB SER A 2 14.631 -32.050 -13.614 1.00 0.00 C ATOM 13 OG SER A 2 15.436 -32.094 -12.449 1.00 0.00 O ATOM 0 H SER A 2 15.254 -29.519 -12.960 1.00 0.00 H new ATOM 0 HA SER A 2 13.094 -30.837 -14.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.013 -32.946 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.267 -32.048 -14.499 1.00 0.00 H new ATOM 0 HG SER A 2 15.996 -32.898 -12.469 1.00 0.00 H new ATOM 19 N SER A 3 12.273 -29.639 -12.080 1.00 0.00 N ATOM 20 CA SER A 3 11.411 -29.491 -10.913 1.00 0.00 C ATOM 21 C SER A 3 10.466 -28.305 -11.082 1.00 0.00 C ATOM 22 O SER A 3 10.904 -27.163 -11.216 1.00 0.00 O ATOM 23 CB SER A 3 12.253 -29.312 -9.649 1.00 0.00 C ATOM 24 OG SER A 3 12.939 -28.071 -9.665 1.00 0.00 O ATOM 0 H SER A 3 12.381 -28.790 -12.635 1.00 0.00 H new ATOM 0 HA SER A 3 10.814 -30.398 -10.816 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.611 -29.365 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.972 -30.128 -9.568 1.00 0.00 H new ATOM 0 HG SER A 3 12.503 -27.465 -10.300 1.00 0.00 H new ATOM 30 N GLY A 4 9.167 -28.585 -11.074 1.00 0.00 N ATOM 31 CA GLY A 4 8.181 -27.531 -11.227 1.00 0.00 C ATOM 32 C GLY A 4 7.777 -26.918 -9.902 1.00 0.00 C ATOM 33 O GLY A 4 6.590 -26.827 -9.587 1.00 0.00 O ATOM 0 H GLY A 4 8.780 -29.522 -10.964 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.583 -26.753 -11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.297 -27.934 -11.722 1.00 0.00 H new ATOM 37 N SER A 5 8.767 -26.496 -9.120 1.00 0.00 N ATOM 38 CA SER A 5 8.509 -25.893 -7.818 1.00 0.00 C ATOM 39 C SER A 5 9.648 -24.961 -7.417 1.00 0.00 C ATOM 40 O SER A 5 10.817 -25.237 -7.688 1.00 0.00 O ATOM 41 CB SER A 5 8.325 -26.979 -6.757 1.00 0.00 C ATOM 42 OG SER A 5 8.155 -26.411 -5.470 1.00 0.00 O ATOM 0 H SER A 5 9.755 -26.561 -9.366 1.00 0.00 H new ATOM 0 HA SER A 5 7.592 -25.308 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.458 -27.591 -7.005 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.192 -27.640 -6.755 1.00 0.00 H new ATOM 0 HG SER A 5 8.038 -27.126 -4.810 1.00 0.00 H new ATOM 48 N SER A 6 9.299 -23.854 -6.768 1.00 0.00 N ATOM 49 CA SER A 6 10.290 -22.878 -6.332 1.00 0.00 C ATOM 50 C SER A 6 10.084 -22.514 -4.865 1.00 0.00 C ATOM 51 O SER A 6 8.968 -22.575 -4.348 1.00 0.00 O ATOM 52 CB SER A 6 10.212 -21.620 -7.198 1.00 0.00 C ATOM 53 OG SER A 6 11.100 -20.621 -6.726 1.00 0.00 O ATOM 0 H SER A 6 8.337 -23.611 -6.533 1.00 0.00 H new ATOM 0 HA SER A 6 11.278 -23.325 -6.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.456 -21.870 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.192 -21.235 -7.195 1.00 0.00 H new ATOM 0 HG SER A 6 11.033 -19.827 -7.297 1.00 0.00 H new ATOM 59 N GLY A 7 11.170 -22.134 -4.197 1.00 0.00 N ATOM 60 CA GLY A 7 11.088 -21.765 -2.796 1.00 0.00 C ATOM 61 C GLY A 7 11.799 -20.460 -2.499 1.00 0.00 C ATOM 62 O GLY A 7 12.969 -20.289 -2.840 1.00 0.00 O ATOM 0 H GLY A 7 12.105 -22.075 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.041 -21.679 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.522 -22.559 -2.188 1.00 0.00 H new ATOM 66 N LYS A 8 11.089 -19.534 -1.860 1.00 0.00 N ATOM 67 CA LYS A 8 11.658 -18.237 -1.516 1.00 0.00 C ATOM 68 C LYS A 8 11.518 -17.960 -0.023 1.00 0.00 C ATOM 69 O LYS A 8 12.507 -17.713 0.667 1.00 0.00 O ATOM 70 CB LYS A 8 10.973 -17.128 -2.317 1.00 0.00 C ATOM 71 CG LYS A 8 11.589 -16.897 -3.687 1.00 0.00 C ATOM 72 CD LYS A 8 10.855 -15.808 -4.452 1.00 0.00 C ATOM 73 CE LYS A 8 9.478 -16.271 -4.899 1.00 0.00 C ATOM 74 NZ LYS A 8 8.869 -15.334 -5.883 1.00 0.00 N ATOM 0 H LYS A 8 10.119 -19.659 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 8 12.719 -18.256 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.919 -17.378 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.017 -16.200 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.637 -16.620 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.564 -17.824 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.756 -14.924 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.442 -15.515 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.555 -17.264 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.825 -16.360 -4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.931 -15.686 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.772 -14.393 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.479 -15.268 -6.723 1.00 0.00 H new ATOM 88 N GLU A 9 10.283 -18.004 0.469 1.00 0.00 N ATOM 89 CA GLU A 9 10.016 -17.759 1.882 1.00 0.00 C ATOM 90 C GLU A 9 9.158 -18.873 2.475 1.00 0.00 C ATOM 91 O GLU A 9 8.533 -19.643 1.747 1.00 0.00 O ATOM 92 CB GLU A 9 9.318 -16.410 2.064 1.00 0.00 C ATOM 93 CG GLU A 9 7.860 -16.416 1.632 1.00 0.00 C ATOM 94 CD GLU A 9 7.054 -15.309 2.283 1.00 0.00 C ATOM 95 OE1 GLU A 9 7.350 -14.966 3.447 1.00 0.00 O ATOM 96 OE2 GLU A 9 6.128 -14.785 1.629 1.00 0.00 O ATOM 0 H GLU A 9 9.453 -18.207 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 9 10.970 -17.741 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.376 -16.119 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.855 -15.653 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.806 -16.311 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.415 -17.379 1.882 1.00 0.00 H new ATOM 103 N ALA A 10 9.136 -18.952 3.801 1.00 0.00 N ATOM 104 CA ALA A 10 8.354 -19.970 4.492 1.00 0.00 C ATOM 105 C ALA A 10 8.239 -19.657 5.980 1.00 0.00 C ATOM 106 O ALA A 10 9.243 -19.599 6.692 1.00 0.00 O ATOM 107 CB ALA A 10 8.976 -21.343 4.286 1.00 0.00 C ATOM 0 H ALA A 10 9.650 -18.324 4.418 1.00 0.00 H new ATOM 0 HA ALA A 10 7.349 -19.971 4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.382 -22.094 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.001 -21.575 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.992 -21.345 4.682 1.00 0.00 H new ATOM 113 N LEU A 11 7.011 -19.456 6.445 1.00 0.00 N ATOM 114 CA LEU A 11 6.765 -19.148 7.849 1.00 0.00 C ATOM 115 C LEU A 11 5.371 -19.601 8.269 1.00 0.00 C ATOM 116 O LEU A 11 4.406 -19.445 7.522 1.00 0.00 O ATOM 117 CB LEU A 11 6.923 -17.646 8.098 1.00 0.00 C ATOM 118 CG LEU A 11 6.436 -17.137 9.454 1.00 0.00 C ATOM 119 CD1 LEU A 11 7.342 -17.637 10.569 1.00 0.00 C ATOM 120 CD2 LEU A 11 6.371 -15.616 9.461 1.00 0.00 C ATOM 0 H LEU A 11 6.170 -19.501 5.870 1.00 0.00 H new ATOM 0 HA LEU A 11 7.498 -19.688 8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.977 -17.389 7.993 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.385 -17.110 7.316 1.00 0.00 H new ATOM 0 HG LEU A 11 5.432 -17.525 9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.979 -17.264 11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.339 -18.727 10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.358 -17.278 10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.022 -15.271 10.434 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.363 -15.209 9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.681 -15.278 8.688 1.00 0.00 H new ATOM 132 N GLU A 12 5.273 -20.160 9.471 1.00 0.00 N ATOM 133 CA GLU A 12 3.996 -20.633 9.991 1.00 0.00 C ATOM 134 C GLU A 12 3.931 -20.471 11.507 1.00 0.00 C ATOM 135 O GLU A 12 4.871 -20.823 12.220 1.00 0.00 O ATOM 136 CB GLU A 12 3.778 -22.100 9.615 1.00 0.00 C ATOM 137 CG GLU A 12 3.064 -22.288 8.286 1.00 0.00 C ATOM 138 CD GLU A 12 3.456 -23.579 7.591 1.00 0.00 C ATOM 139 OE1 GLU A 12 4.630 -23.986 7.713 1.00 0.00 O ATOM 140 OE2 GLU A 12 2.587 -24.180 6.925 1.00 0.00 O ATOM 0 H GLU A 12 6.062 -20.296 10.102 1.00 0.00 H new ATOM 0 HA GLU A 12 3.206 -20.029 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.744 -22.603 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.199 -22.586 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.987 -22.282 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.291 -21.445 7.633 1.00 0.00 H new ATOM 147 N ALA A 13 2.815 -19.936 11.993 1.00 0.00 N ATOM 148 CA ALA A 13 2.627 -19.729 13.423 1.00 0.00 C ATOM 149 C ALA A 13 1.220 -19.221 13.723 1.00 0.00 C ATOM 150 O ALA A 13 0.799 -18.186 13.206 1.00 0.00 O ATOM 151 CB ALA A 13 3.666 -18.754 13.956 1.00 0.00 C ATOM 0 H ALA A 13 2.028 -19.638 11.417 1.00 0.00 H new ATOM 0 HA ALA A 13 2.754 -20.689 13.924 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.514 -18.609 15.025 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.664 -19.156 13.783 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.565 -17.798 13.442 1.00 0.00 H new ATOM 157 N LEU A 14 0.497 -19.956 14.561 1.00 0.00 N ATOM 158 CA LEU A 14 -0.863 -19.581 14.930 1.00 0.00 C ATOM 159 C LEU A 14 -0.996 -18.066 15.049 1.00 0.00 C ATOM 160 O LEU A 14 -1.961 -17.477 14.560 1.00 0.00 O ATOM 161 CB LEU A 14 -1.255 -20.244 16.252 1.00 0.00 C ATOM 162 CG LEU A 14 -1.072 -21.761 16.322 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.336 -22.108 16.777 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.104 -22.380 17.254 1.00 0.00 C ATOM 0 H LEU A 14 0.830 -20.815 14.998 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.535 -19.926 14.144 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.669 -19.790 17.051 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.301 -20.015 16.454 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.220 -22.172 15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.448 -23.191 16.821 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.058 -21.697 16.071 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.514 -21.685 17.766 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.959 -23.460 17.292 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.987 -21.963 18.254 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.106 -22.161 16.884 1.00 0.00 H new ATOM 176 N VAL A 15 -0.021 -17.440 15.699 1.00 0.00 N ATOM 177 CA VAL A 15 -0.027 -15.994 15.879 1.00 0.00 C ATOM 178 C VAL A 15 0.463 -15.281 14.623 1.00 0.00 C ATOM 179 O VAL A 15 1.423 -15.702 13.975 1.00 0.00 O ATOM 180 CB VAL A 15 0.851 -15.572 17.071 1.00 0.00 C ATOM 181 CG1 VAL A 15 0.881 -14.057 17.204 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.353 -16.219 18.355 1.00 0.00 C ATOM 0 H VAL A 15 0.784 -17.912 16.110 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.059 -15.705 16.078 1.00 0.00 H new ATOM 0 HB VAL A 15 1.869 -15.916 16.889 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.507 -13.779 18.052 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.289 -13.620 16.293 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.131 -13.686 17.363 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.985 -15.910 19.187 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.674 -15.908 18.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.391 -17.304 18.254 1.00 0.00 H new ATOM 192 N PRO A 16 -0.209 -14.176 14.269 1.00 0.00 N ATOM 193 CA PRO A 16 0.143 -13.381 13.088 1.00 0.00 C ATOM 194 C PRO A 16 1.464 -12.641 13.259 1.00 0.00 C ATOM 195 O PRO A 16 2.095 -12.711 14.315 1.00 0.00 O ATOM 196 CB PRO A 16 -1.016 -12.386 12.974 1.00 0.00 C ATOM 197 CG PRO A 16 -1.551 -12.267 14.359 1.00 0.00 C ATOM 198 CD PRO A 16 -1.362 -13.617 14.994 1.00 0.00 C ATOM 0 HA PRO A 16 0.279 -14.003 12.203 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.674 -11.422 12.597 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.780 -12.745 12.284 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.020 -11.496 14.917 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.604 -11.985 14.348 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.163 -13.534 16.063 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.248 -14.241 14.882 1.00 0.00 H new ATOM 206 N VAL A 17 1.880 -11.931 12.215 1.00 0.00 N ATOM 207 CA VAL A 17 3.126 -11.176 12.251 1.00 0.00 C ATOM 208 C VAL A 17 2.978 -9.835 11.542 1.00 0.00 C ATOM 209 O VAL A 17 2.078 -9.649 10.722 1.00 0.00 O ATOM 210 CB VAL A 17 4.278 -11.964 11.599 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.787 -13.044 12.541 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.829 -12.566 10.276 1.00 0.00 C ATOM 0 H VAL A 17 1.372 -11.863 11.333 1.00 0.00 H new ATOM 0 HA VAL A 17 3.361 -11.004 13.301 1.00 0.00 H new ATOM 0 HB VAL A 17 5.099 -11.275 11.399 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.600 -13.590 12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.150 -12.584 13.460 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.976 -13.734 12.776 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.655 -13.119 9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.991 -13.242 10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.518 -11.769 9.600 1.00 0.00 H new ATOM 222 N THR A 18 3.868 -8.900 11.862 1.00 0.00 N ATOM 223 CA THR A 18 3.835 -7.575 11.257 1.00 0.00 C ATOM 224 C THR A 18 4.940 -7.418 10.218 1.00 0.00 C ATOM 225 O THR A 18 6.096 -7.757 10.472 1.00 0.00 O ATOM 226 CB THR A 18 3.984 -6.469 12.318 1.00 0.00 C ATOM 227 OG1 THR A 18 3.044 -6.677 13.378 1.00 0.00 O ATOM 228 CG2 THR A 18 3.766 -5.095 11.702 1.00 0.00 C ATOM 0 H THR A 18 4.620 -9.037 12.537 1.00 0.00 H new ATOM 0 HA THR A 18 2.865 -7.474 10.771 1.00 0.00 H new ATOM 0 HB THR A 18 4.997 -6.514 12.718 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.144 -6.446 13.067 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.876 -4.330 12.471 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.502 -4.928 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.763 -5.041 11.278 1.00 0.00 H new ATOM 236 N ILE A 19 4.576 -6.902 9.049 1.00 0.00 N ATOM 237 CA ILE A 19 5.538 -6.698 7.972 1.00 0.00 C ATOM 238 C ILE A 19 5.742 -5.213 7.691 1.00 0.00 C ATOM 239 O ILE A 19 5.136 -4.360 8.338 1.00 0.00 O ATOM 240 CB ILE A 19 5.087 -7.397 6.676 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.692 -6.918 6.270 1.00 0.00 C ATOM 242 CG2 ILE A 19 5.103 -8.908 6.856 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.392 -7.106 4.800 1.00 0.00 C ATOM 0 H ILE A 19 3.623 -6.618 8.823 1.00 0.00 H new ATOM 0 HA ILE A 19 6.480 -7.135 8.303 1.00 0.00 H new ATOM 0 HB ILE A 19 5.785 -7.138 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.947 -7.456 6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.592 -5.862 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.782 -9.388 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.113 -9.234 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.425 -9.185 7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.386 -6.744 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.114 -6.545 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.459 -8.164 4.547 1.00 0.00 H new ATOM 255 N GLU A 20 6.600 -4.913 6.720 1.00 0.00 N ATOM 256 CA GLU A 20 6.883 -3.531 6.353 1.00 0.00 C ATOM 257 C GLU A 20 6.623 -3.299 4.867 1.00 0.00 C ATOM 258 O GLU A 20 7.176 -3.992 4.012 1.00 0.00 O ATOM 259 CB GLU A 20 8.334 -3.178 6.690 1.00 0.00 C ATOM 260 CG GLU A 20 8.528 -2.699 8.118 1.00 0.00 C ATOM 261 CD GLU A 20 9.918 -2.146 8.365 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.518 -1.602 7.415 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.406 -2.258 9.509 1.00 0.00 O ATOM 0 H GLU A 20 7.110 -5.608 6.175 1.00 0.00 H new ATOM 0 HA GLU A 20 6.217 -2.885 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.961 -4.054 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.679 -2.403 6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.790 -1.929 8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.343 -3.527 8.803 1.00 0.00 H new ATOM 270 N VAL A 21 5.777 -2.318 4.568 1.00 0.00 N ATOM 271 CA VAL A 21 5.443 -1.992 3.185 1.00 0.00 C ATOM 272 C VAL A 21 5.922 -0.592 2.820 1.00 0.00 C ATOM 273 O VAL A 21 5.755 0.352 3.591 1.00 0.00 O ATOM 274 CB VAL A 21 3.927 -2.087 2.938 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.633 -2.175 1.448 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.339 -3.279 3.677 1.00 0.00 C ATOM 0 H VAL A 21 5.311 -1.736 5.263 1.00 0.00 H new ATOM 0 HA VAL A 21 5.952 -2.721 2.555 1.00 0.00 H new ATOM 0 HB VAL A 21 3.457 -1.182 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.556 -2.242 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.017 -1.286 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.115 -3.061 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.266 -3.330 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.812 -4.195 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.516 -3.167 4.747 1.00 0.00 H new ATOM 286 N GLU A 22 6.516 -0.465 1.638 1.00 0.00 N ATOM 287 CA GLU A 22 7.018 0.822 1.170 1.00 0.00 C ATOM 288 C GLU A 22 5.898 1.648 0.544 1.00 0.00 C ATOM 289 O GLU A 22 5.554 1.466 -0.624 1.00 0.00 O ATOM 290 CB GLU A 22 8.143 0.616 0.153 1.00 0.00 C ATOM 291 CG GLU A 22 9.500 0.366 0.790 1.00 0.00 C ATOM 292 CD GLU A 22 10.483 -0.281 -0.167 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.890 0.385 -1.141 1.00 0.00 O ATOM 294 OE2 GLU A 22 10.845 -1.454 0.060 1.00 0.00 O ATOM 0 H GLU A 22 6.661 -1.237 0.987 1.00 0.00 H new ATOM 0 HA GLU A 22 7.410 1.365 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.891 -0.228 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.208 1.495 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.911 1.312 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.375 -0.273 1.664 1.00 0.00 H new ATOM 301 N VAL A 23 5.332 2.558 1.332 1.00 0.00 N ATOM 302 CA VAL A 23 4.251 3.414 0.857 1.00 0.00 C ATOM 303 C VAL A 23 4.497 4.870 1.235 1.00 0.00 C ATOM 304 O VAL A 23 4.708 5.207 2.400 1.00 0.00 O ATOM 305 CB VAL A 23 2.891 2.969 1.427 1.00 0.00 C ATOM 306 CG1 VAL A 23 1.792 3.928 0.996 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.570 1.547 0.991 1.00 0.00 C ATOM 0 H VAL A 23 5.604 2.721 2.301 1.00 0.00 H new ATOM 0 HA VAL A 23 4.228 3.323 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 23 2.950 2.986 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.839 3.598 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.018 4.929 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.730 3.945 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.606 1.249 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.530 1.500 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.344 0.871 1.355 1.00 0.00 H new ATOM 317 N PRO A 24 4.469 5.755 0.228 1.00 0.00 N ATOM 318 CA PRO A 24 4.685 7.191 0.430 1.00 0.00 C ATOM 319 C PRO A 24 3.530 7.853 1.173 1.00 0.00 C ATOM 320 O PRO A 24 2.363 7.624 0.857 1.00 0.00 O ATOM 321 CB PRO A 24 4.786 7.739 -0.996 1.00 0.00 C ATOM 322 CG PRO A 24 4.025 6.768 -1.830 1.00 0.00 C ATOM 323 CD PRO A 24 4.223 5.423 -1.186 1.00 0.00 C ATOM 0 HA PRO A 24 5.566 7.388 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.360 8.740 -1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.824 7.811 -1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.968 7.031 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.390 6.766 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.345 4.788 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.064 4.887 -1.625 1.00 0.00 H new ATOM 331 N PHE A 25 3.864 8.674 2.164 1.00 0.00 N ATOM 332 CA PHE A 25 2.853 9.368 2.954 1.00 0.00 C ATOM 333 C PHE A 25 1.906 10.156 2.053 1.00 0.00 C ATOM 334 O PHE A 25 0.732 10.335 2.375 1.00 0.00 O ATOM 335 CB PHE A 25 3.520 10.308 3.960 1.00 0.00 C ATOM 336 CG PHE A 25 2.560 10.902 4.952 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.746 11.965 4.597 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.475 10.396 6.240 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.862 12.513 5.508 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.593 10.940 7.154 1.00 0.00 C ATOM 341 CZ PHE A 25 0.786 12.000 6.789 1.00 0.00 C ATOM 0 H PHE A 25 4.826 8.875 2.439 1.00 0.00 H new ATOM 0 HA PHE A 25 2.273 8.621 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.294 9.761 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.016 11.114 3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.802 12.370 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.104 9.568 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.232 13.341 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.535 10.536 8.154 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.097 12.427 7.503 1.00 0.00 H new ATOM 351 N ASP A 26 2.427 10.627 0.925 1.00 0.00 N ATOM 352 CA ASP A 26 1.630 11.396 -0.023 1.00 0.00 C ATOM 353 C ASP A 26 0.428 10.589 -0.503 1.00 0.00 C ATOM 354 O ASP A 26 -0.538 11.144 -1.028 1.00 0.00 O ATOM 355 CB ASP A 26 2.486 11.819 -1.218 1.00 0.00 C ATOM 356 CG ASP A 26 3.460 12.927 -0.869 1.00 0.00 C ATOM 357 OD1 ASP A 26 3.001 14.011 -0.452 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.681 12.710 -1.011 1.00 0.00 O ATOM 0 H ASP A 26 3.398 10.489 0.645 1.00 0.00 H new ATOM 0 HA ASP A 26 1.266 12.288 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.039 10.956 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.836 12.152 -2.027 1.00 0.00 H new ATOM 363 N LEU A 27 0.495 9.274 -0.322 1.00 0.00 N ATOM 364 CA LEU A 27 -0.588 8.389 -0.738 1.00 0.00 C ATOM 365 C LEU A 27 -1.485 8.034 0.444 1.00 0.00 C ATOM 366 O LEU A 27 -2.693 7.851 0.287 1.00 0.00 O ATOM 367 CB LEU A 27 -0.019 7.113 -1.362 1.00 0.00 C ATOM 368 CG LEU A 27 0.615 7.267 -2.745 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.192 5.943 -3.218 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.407 7.793 -3.743 1.00 0.00 C ATOM 0 H LEU A 27 1.287 8.798 0.110 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.188 8.914 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.730 6.704 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.821 6.378 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 27 1.429 7.989 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.639 6.072 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.954 5.607 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.397 5.199 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.061 7.897 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.241 7.095 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.773 8.765 -3.411 1.00 0.00 H new ATOM 382 N HIS A 28 -0.887 7.940 1.628 1.00 0.00 N ATOM 383 CA HIS A 28 -1.632 7.609 2.837 1.00 0.00 C ATOM 384 C HIS A 28 -2.989 8.308 2.847 1.00 0.00 C ATOM 385 O HIS A 28 -4.033 7.658 2.820 1.00 0.00 O ATOM 386 CB HIS A 28 -0.833 8.005 4.079 1.00 0.00 C ATOM 387 CG HIS A 28 0.433 7.223 4.250 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.086 7.103 5.458 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.165 6.517 3.357 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.166 6.359 5.301 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.237 5.990 4.034 1.00 0.00 N ATOM 0 H HIS A 28 0.111 8.088 1.775 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.797 6.532 2.849 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.590 9.066 4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.457 7.868 4.962 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.946 6.391 2.307 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.871 6.097 6.076 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.969 5.409 3.626 1.00 0.00 H new ATOM 399 N ARG A 29 -2.965 9.637 2.886 1.00 0.00 N ATOM 400 CA ARG A 29 -4.191 10.424 2.902 1.00 0.00 C ATOM 401 C ARG A 29 -5.232 9.828 1.957 1.00 0.00 C ATOM 402 O ARG A 29 -6.432 9.883 2.226 1.00 0.00 O ATOM 403 CB ARG A 29 -3.898 11.873 2.507 1.00 0.00 C ATOM 404 CG ARG A 29 -3.134 12.005 1.200 1.00 0.00 C ATOM 405 CD ARG A 29 -3.114 13.445 0.711 1.00 0.00 C ATOM 406 NE ARG A 29 -2.014 14.207 1.295 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.618 15.391 0.844 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.230 15.947 -0.193 1.00 0.00 N ATOM 409 NH2 ARG A 29 -0.608 16.022 1.429 1.00 0.00 N ATOM 0 H ARG A 29 -2.109 10.191 2.907 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.592 10.405 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.840 12.416 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.325 12.349 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.112 11.652 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.592 11.369 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.027 13.457 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.060 13.925 0.960 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.522 13.807 2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.007 15.465 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.924 16.857 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.135 15.597 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.305 16.932 1.081 1.00 0.00 H new ATOM 423 N TYR A 30 -4.762 9.262 0.851 1.00 0.00 N ATOM 424 CA TYR A 30 -5.650 8.659 -0.135 1.00 0.00 C ATOM 425 C TYR A 30 -5.995 7.223 0.247 1.00 0.00 C ATOM 426 O TYR A 30 -7.128 6.775 0.069 1.00 0.00 O ATOM 427 CB TYR A 30 -5.003 8.688 -1.521 1.00 0.00 C ATOM 428 CG TYR A 30 -4.618 10.076 -1.980 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.475 11.154 -1.797 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.394 10.309 -2.595 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.126 12.423 -2.215 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.035 11.575 -3.015 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.905 12.629 -2.824 1.00 0.00 C ATOM 434 OH TYR A 30 -3.553 13.892 -3.240 1.00 0.00 O ATOM 0 H TYR A 30 -3.771 9.208 0.615 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.572 9.241 -0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.114 8.058 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.693 8.254 -2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.431 10.997 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.711 9.486 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.805 13.250 -2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.079 11.739 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.662 13.866 -3.648 1.00 0.00 H new ATOM 444 N VAL A 31 -5.008 6.505 0.777 1.00 0.00 N ATOM 445 CA VAL A 31 -5.205 5.120 1.187 1.00 0.00 C ATOM 446 C VAL A 31 -6.198 5.025 2.339 1.00 0.00 C ATOM 447 O VAL A 31 -7.186 4.292 2.263 1.00 0.00 O ATOM 448 CB VAL A 31 -3.877 4.467 1.612 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.110 3.037 2.075 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.874 4.509 0.470 1.00 0.00 C ATOM 0 H VAL A 31 -4.065 6.860 0.932 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.603 4.587 0.324 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.465 5.032 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.161 2.591 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.792 3.036 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.544 2.457 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.941 4.043 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.276 3.969 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.685 5.545 0.190 1.00 0.00 H new ATOM 460 N ILE A 32 -5.931 5.770 3.407 1.00 0.00 N ATOM 461 CA ILE A 32 -6.802 5.770 4.575 1.00 0.00 C ATOM 462 C ILE A 32 -8.238 6.110 4.190 1.00 0.00 C ATOM 463 O ILE A 32 -9.170 5.382 4.526 1.00 0.00 O ATOM 464 CB ILE A 32 -6.317 6.772 5.639 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.877 6.456 6.050 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.237 6.745 6.851 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.135 7.646 6.614 1.00 0.00 C ATOM 0 H ILE A 32 -5.118 6.381 3.487 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.769 4.764 4.993 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.342 7.774 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.887 5.659 6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.335 6.078 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.881 7.459 7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.249 7.013 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.241 5.744 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.122 7.348 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.094 8.437 5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.654 8.012 7.500 1.00 0.00 H new ATOM 479 N GLY A 33 -8.407 7.222 3.482 1.00 0.00 N ATOM 480 CA GLY A 33 -9.732 7.638 3.060 1.00 0.00 C ATOM 481 C GLY A 33 -10.347 8.655 4.001 1.00 0.00 C ATOM 482 O GLY A 33 -9.678 9.156 4.906 1.00 0.00 O ATOM 0 H GLY A 33 -7.651 7.842 3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.674 8.063 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.381 6.765 2.999 1.00 0.00 H new ATOM 486 N GLN A 34 -11.622 8.963 3.787 1.00 0.00 N ATOM 487 CA GLN A 34 -12.324 9.930 4.622 1.00 0.00 C ATOM 488 C GLN A 34 -12.663 9.329 5.982 1.00 0.00 C ATOM 489 O GLN A 34 -12.266 9.855 7.022 1.00 0.00 O ATOM 490 CB GLN A 34 -13.602 10.403 3.927 1.00 0.00 C ATOM 491 CG GLN A 34 -14.484 11.278 4.804 1.00 0.00 C ATOM 492 CD GLN A 34 -15.376 12.202 3.998 1.00 0.00 C ATOM 493 OE1 GLN A 34 -15.835 11.847 2.912 1.00 0.00 O ATOM 494 NE2 GLN A 34 -15.625 13.394 4.526 1.00 0.00 N ATOM 0 H GLN A 34 -12.190 8.557 3.043 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.666 10.785 4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.333 10.958 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.174 9.533 3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -15.103 10.643 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.855 11.873 5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.223 13.646 5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.218 14.058 4.029 1.00 0.00 H new ATOM 503 N LYS A 35 -13.403 8.225 5.968 1.00 0.00 N ATOM 504 CA LYS A 35 -13.796 7.551 7.199 1.00 0.00 C ATOM 505 C LYS A 35 -13.118 6.190 7.314 1.00 0.00 C ATOM 506 O LYS A 35 -13.771 5.181 7.579 1.00 0.00 O ATOM 507 CB LYS A 35 -15.317 7.381 7.248 1.00 0.00 C ATOM 508 CG LYS A 35 -15.884 7.385 8.658 1.00 0.00 C ATOM 509 CD LYS A 35 -17.379 7.656 8.656 1.00 0.00 C ATOM 510 CE LYS A 35 -17.678 9.129 8.424 1.00 0.00 C ATOM 511 NZ LYS A 35 -19.004 9.520 8.977 1.00 0.00 N ATOM 0 H LYS A 35 -13.743 7.778 5.116 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.478 8.168 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.783 8.183 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.586 6.444 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.688 6.424 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.376 8.144 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.857 7.060 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.808 7.342 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.899 9.735 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.654 9.340 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.170 10.531 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.750 8.960 8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.019 9.342 10.002 1.00 0.00 H new ATOM 525 N GLY A 36 -11.804 6.169 7.115 1.00 0.00 N ATOM 526 CA GLY A 36 -11.059 4.926 7.203 1.00 0.00 C ATOM 527 C GLY A 36 -11.769 3.776 6.517 1.00 0.00 C ATOM 528 O GLY A 36 -11.905 2.693 7.087 1.00 0.00 O ATOM 0 H GLY A 36 -11.241 6.991 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.076 5.062 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.898 4.676 8.252 1.00 0.00 H new ATOM 532 N SER A 37 -12.225 4.011 5.291 1.00 0.00 N ATOM 533 CA SER A 37 -12.930 2.988 4.529 1.00 0.00 C ATOM 534 C SER A 37 -11.985 2.286 3.558 1.00 0.00 C ATOM 535 O SER A 37 -11.804 1.070 3.619 1.00 0.00 O ATOM 536 CB SER A 37 -14.100 3.608 3.761 1.00 0.00 C ATOM 537 OG SER A 37 -14.787 2.628 3.001 1.00 0.00 O ATOM 0 H SER A 37 -12.119 4.901 4.804 1.00 0.00 H new ATOM 0 HA SER A 37 -13.317 2.249 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 37 -14.790 4.079 4.461 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.731 4.392 3.100 1.00 0.00 H new ATOM 0 HG SER A 37 -15.531 3.048 2.521 1.00 0.00 H new ATOM 543 N GLY A 38 -11.385 3.061 2.661 1.00 0.00 N ATOM 544 CA GLY A 38 -10.465 2.499 1.690 1.00 0.00 C ATOM 545 C GLY A 38 -9.655 1.350 2.255 1.00 0.00 C ATOM 546 O GLY A 38 -9.480 0.323 1.599 1.00 0.00 O ATOM 0 H GLY A 38 -11.520 4.070 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.025 2.152 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.788 3.279 1.341 1.00 0.00 H new ATOM 550 N ILE A 39 -9.160 1.523 3.476 1.00 0.00 N ATOM 551 CA ILE A 39 -8.364 0.491 4.129 1.00 0.00 C ATOM 552 C ILE A 39 -9.252 -0.599 4.719 1.00 0.00 C ATOM 553 O ILE A 39 -8.973 -1.789 4.572 1.00 0.00 O ATOM 554 CB ILE A 39 -7.485 1.082 5.248 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.466 2.061 4.661 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.781 -0.030 6.011 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.546 2.669 5.697 1.00 0.00 C ATOM 0 H ILE A 39 -9.296 2.367 4.032 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.721 0.057 3.363 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.124 1.625 5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.866 1.543 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.998 2.860 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.164 0.403 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.523 -0.693 6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.151 -0.598 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.851 3.352 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.137 3.216 6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.987 1.878 6.196 1.00 0.00 H new ATOM 569 N ARG A 40 -10.325 -0.184 5.386 1.00 0.00 N ATOM 570 CA ARG A 40 -11.256 -1.125 5.997 1.00 0.00 C ATOM 571 C ARG A 40 -11.567 -2.277 5.047 1.00 0.00 C ATOM 572 O ARG A 40 -11.583 -3.441 5.449 1.00 0.00 O ATOM 573 CB ARG A 40 -12.550 -0.411 6.391 1.00 0.00 C ATOM 574 CG ARG A 40 -13.398 -1.192 7.382 1.00 0.00 C ATOM 575 CD ARG A 40 -14.514 -0.333 7.957 1.00 0.00 C ATOM 576 NE ARG A 40 -15.276 -1.041 8.982 1.00 0.00 N ATOM 577 CZ ARG A 40 -14.849 -1.213 10.229 1.00 0.00 C ATOM 578 NH1 ARG A 40 -13.674 -0.728 10.603 1.00 0.00 N ATOM 579 NH2 ARG A 40 -15.601 -1.868 11.104 1.00 0.00 N ATOM 0 H ARG A 40 -10.571 0.797 5.517 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.786 -1.532 6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.303 0.559 6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.138 -0.221 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.826 -2.064 6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.767 -1.561 8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.089 0.575 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.184 -0.025 7.155 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.186 -1.425 8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.095 -0.221 9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.349 -0.861 11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.507 -2.240 10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.273 -2.000 12.061 1.00 0.00 H new ATOM 593 N LYS A 41 -11.813 -1.946 3.783 1.00 0.00 N ATOM 594 CA LYS A 41 -12.123 -2.951 2.774 1.00 0.00 C ATOM 595 C LYS A 41 -11.128 -4.105 2.832 1.00 0.00 C ATOM 596 O LYS A 41 -11.516 -5.273 2.854 1.00 0.00 O ATOM 597 CB LYS A 41 -12.113 -2.324 1.379 1.00 0.00 C ATOM 598 CG LYS A 41 -12.310 -3.330 0.258 1.00 0.00 C ATOM 599 CD LYS A 41 -12.169 -2.678 -1.108 1.00 0.00 C ATOM 600 CE LYS A 41 -10.719 -2.644 -1.562 1.00 0.00 C ATOM 601 NZ LYS A 41 -9.981 -1.489 -0.981 1.00 0.00 N ATOM 0 H LYS A 41 -11.803 -0.988 3.434 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.119 -3.342 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.899 -1.571 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.165 -1.807 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.579 -4.133 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.297 -3.785 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.767 -3.225 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.563 -1.663 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.226 -3.572 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.681 -2.589 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.277 -1.146 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.651 -0.724 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.499 -1.788 -0.110 1.00 0.00 H new ATOM 615 N MET A 42 -9.841 -3.770 2.857 1.00 0.00 N ATOM 616 CA MET A 42 -8.790 -4.779 2.916 1.00 0.00 C ATOM 617 C MET A 42 -8.817 -5.516 4.251 1.00 0.00 C ATOM 618 O MET A 42 -9.017 -6.730 4.296 1.00 0.00 O ATOM 619 CB MET A 42 -7.420 -4.131 2.705 1.00 0.00 C ATOM 620 CG MET A 42 -7.266 -3.462 1.350 1.00 0.00 C ATOM 621 SD MET A 42 -6.041 -2.139 1.363 1.00 0.00 S ATOM 622 CE MET A 42 -4.522 -3.085 1.428 1.00 0.00 C ATOM 0 H MET A 42 -9.502 -2.808 2.837 1.00 0.00 H new ATOM 0 HA MET A 42 -8.969 -5.501 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.253 -3.391 3.487 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.647 -4.891 2.815 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.979 -4.210 0.611 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.229 -3.057 1.038 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.838 -2.626 2.142 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.742 -4.106 1.741 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.060 -3.100 0.441 1.00 0.00 H new ATOM 632 N MET A 43 -8.615 -4.775 5.335 1.00 0.00 N ATOM 633 CA MET A 43 -8.618 -5.360 6.671 1.00 0.00 C ATOM 634 C MET A 43 -9.804 -6.301 6.850 1.00 0.00 C ATOM 635 O MET A 43 -9.704 -7.316 7.539 1.00 0.00 O ATOM 636 CB MET A 43 -8.659 -4.258 7.732 1.00 0.00 C ATOM 637 CG MET A 43 -7.377 -3.446 7.816 1.00 0.00 C ATOM 638 SD MET A 43 -7.302 -2.418 9.295 1.00 0.00 S ATOM 639 CE MET A 43 -8.717 -1.351 9.039 1.00 0.00 C ATOM 0 H MET A 43 -8.447 -3.769 5.315 1.00 0.00 H new ATOM 0 HA MET A 43 -7.701 -5.936 6.791 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.490 -3.587 7.515 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.858 -4.709 8.704 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.522 -4.122 7.804 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.294 -2.812 6.933 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.492 -0.352 9.412 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.945 -1.298 7.974 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.577 -1.753 9.575 1.00 0.00 H new ATOM 649 N ASP A 44 -10.927 -5.956 6.228 1.00 0.00 N ATOM 650 CA ASP A 44 -12.132 -6.771 6.319 1.00 0.00 C ATOM 651 C ASP A 44 -12.112 -7.889 5.280 1.00 0.00 C ATOM 652 O ASP A 44 -12.619 -8.983 5.523 1.00 0.00 O ATOM 653 CB ASP A 44 -13.377 -5.901 6.126 1.00 0.00 C ATOM 654 CG ASP A 44 -13.763 -5.158 7.390 1.00 0.00 C ATOM 655 OD1 ASP A 44 -12.852 -4.723 8.124 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.977 -5.011 7.644 1.00 0.00 O ATOM 0 H ASP A 44 -11.027 -5.118 5.656 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.162 -7.222 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.195 -5.183 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.210 -6.528 5.808 1.00 0.00 H new ATOM 661 N GLU A 45 -11.524 -7.603 4.122 1.00 0.00 N ATOM 662 CA GLU A 45 -11.441 -8.585 3.047 1.00 0.00 C ATOM 663 C GLU A 45 -10.386 -9.644 3.357 1.00 0.00 C ATOM 664 O GLU A 45 -10.700 -10.825 3.497 1.00 0.00 O ATOM 665 CB GLU A 45 -11.113 -7.895 1.721 1.00 0.00 C ATOM 666 CG GLU A 45 -10.866 -8.862 0.577 1.00 0.00 C ATOM 667 CD GLU A 45 -12.130 -9.560 0.118 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.946 -9.940 0.984 1.00 0.00 O ATOM 669 OE2 GLU A 45 -12.306 -9.726 -1.107 1.00 0.00 O ATOM 0 H GLU A 45 -11.099 -6.701 3.905 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.410 -9.077 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.935 -7.231 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.230 -7.270 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.429 -8.321 -0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.136 -9.609 0.889 1.00 0.00 H new ATOM 676 N PHE A 46 -9.135 -9.209 3.462 1.00 0.00 N ATOM 677 CA PHE A 46 -8.032 -10.118 3.753 1.00 0.00 C ATOM 678 C PHE A 46 -8.029 -10.515 5.226 1.00 0.00 C ATOM 679 O PHE A 46 -7.275 -11.394 5.641 1.00 0.00 O ATOM 680 CB PHE A 46 -6.696 -9.468 3.386 1.00 0.00 C ATOM 681 CG PHE A 46 -6.529 -9.237 1.911 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.216 -10.286 1.063 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.682 -7.968 1.374 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.061 -10.076 -0.295 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.529 -7.752 0.018 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.217 -8.807 -0.818 1.00 0.00 C ATOM 0 H PHE A 46 -8.859 -8.233 3.350 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.168 -11.017 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.609 -8.515 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.883 -10.101 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.091 -11.280 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.923 -7.139 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.818 -10.903 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.653 -6.759 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.095 -8.640 -1.878 1.00 0.00 H new ATOM 696 N GLU A 47 -8.878 -9.859 6.012 1.00 0.00 N ATOM 697 CA GLU A 47 -8.972 -10.142 7.439 1.00 0.00 C ATOM 698 C GLU A 47 -7.645 -9.861 8.138 1.00 0.00 C ATOM 699 O GLU A 47 -7.161 -10.675 8.925 1.00 0.00 O ATOM 700 CB GLU A 47 -9.384 -11.597 7.667 1.00 0.00 C ATOM 701 CG GLU A 47 -10.765 -11.930 7.130 1.00 0.00 C ATOM 702 CD GLU A 47 -11.100 -13.404 7.253 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.216 -14.239 6.968 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.245 -13.723 7.633 1.00 0.00 O ATOM 0 H GLU A 47 -9.510 -9.128 5.684 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.732 -9.487 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.652 -12.251 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.358 -11.810 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.511 -11.346 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.824 -11.634 6.083 1.00 0.00 H new ATOM 711 N VAL A 48 -7.060 -8.705 7.844 1.00 0.00 N ATOM 712 CA VAL A 48 -5.789 -8.316 8.443 1.00 0.00 C ATOM 713 C VAL A 48 -5.892 -6.950 9.113 1.00 0.00 C ATOM 714 O VAL A 48 -6.969 -6.357 9.174 1.00 0.00 O ATOM 715 CB VAL A 48 -4.662 -8.276 7.394 1.00 0.00 C ATOM 716 CG1 VAL A 48 -3.990 -9.636 7.281 1.00 0.00 C ATOM 717 CG2 VAL A 48 -5.206 -7.828 6.046 1.00 0.00 C ATOM 0 H VAL A 48 -7.446 -8.021 7.194 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.550 -9.069 9.194 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.913 -7.553 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.196 -9.589 6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.565 -9.913 8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.726 -10.382 6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.397 -7.805 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.975 -8.526 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.637 -6.831 6.141 1.00 0.00 H new ATOM 727 N ASN A 49 -4.765 -6.456 9.615 1.00 0.00 N ATOM 728 CA ASN A 49 -4.729 -5.160 10.282 1.00 0.00 C ATOM 729 C ASN A 49 -3.578 -4.310 9.754 1.00 0.00 C ATOM 730 O ASN A 49 -2.409 -4.661 9.913 1.00 0.00 O ATOM 731 CB ASN A 49 -4.589 -5.344 11.794 1.00 0.00 C ATOM 732 CG ASN A 49 -5.715 -6.173 12.382 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.385 -6.924 11.673 1.00 0.00 O ATOM 734 ND2 ASN A 49 -5.929 -6.039 13.686 1.00 0.00 N ATOM 0 H ASN A 49 -3.865 -6.934 9.572 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.666 -4.645 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.635 -5.825 12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.571 -4.367 12.276 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.673 -6.570 14.138 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.349 -5.405 14.235 1.00 0.00 H new ATOM 741 N ILE A 50 -3.918 -3.189 9.126 1.00 0.00 N ATOM 742 CA ILE A 50 -2.913 -2.287 8.576 1.00 0.00 C ATOM 743 C ILE A 50 -2.757 -1.043 9.443 1.00 0.00 C ATOM 744 O ILE A 50 -3.741 -0.389 9.792 1.00 0.00 O ATOM 745 CB ILE A 50 -3.268 -1.857 7.141 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.453 -3.085 6.247 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.188 -0.944 6.578 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.021 -2.761 4.883 1.00 0.00 C ATOM 0 H ILE A 50 -4.881 -2.884 8.985 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.972 -2.836 8.560 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.207 -1.304 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.491 -3.581 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.114 -3.792 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.454 -0.649 5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.101 -0.055 7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.235 -1.473 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.125 -3.679 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.998 -2.292 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.350 -2.078 4.362 1.00 0.00 H new ATOM 760 N HIS A 51 -1.515 -0.720 9.788 1.00 0.00 N ATOM 761 CA HIS A 51 -1.230 0.448 10.613 1.00 0.00 C ATOM 762 C HIS A 51 -0.367 1.452 9.855 1.00 0.00 C ATOM 763 O HIS A 51 0.694 1.107 9.334 1.00 0.00 O ATOM 764 CB HIS A 51 -0.526 0.027 11.904 1.00 0.00 C ATOM 765 CG HIS A 51 -1.468 -0.278 13.028 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.117 -0.162 14.356 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.756 -0.693 13.016 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.147 -0.495 15.112 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.155 -0.821 14.323 1.00 0.00 N ATOM 0 H HIS A 51 -0.690 -1.251 9.509 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.178 0.925 10.862 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.085 -0.853 11.704 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.152 0.822 12.215 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.358 -0.887 12.141 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.163 -0.500 16.192 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.079 -1.119 14.634 1.00 0.00 H new ATOM 777 N VAL A 52 -0.830 2.697 9.795 1.00 0.00 N ATOM 778 CA VAL A 52 -0.101 3.751 9.100 1.00 0.00 C ATOM 779 C VAL A 52 0.531 4.724 10.088 1.00 0.00 C ATOM 780 O VAL A 52 -0.069 5.105 11.094 1.00 0.00 O ATOM 781 CB VAL A 52 -1.021 4.532 8.143 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.264 5.681 7.493 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.605 3.603 7.089 1.00 0.00 C ATOM 0 H VAL A 52 -1.707 3.000 10.219 1.00 0.00 H new ATOM 0 HA VAL A 52 0.684 3.265 8.521 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.845 4.952 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.930 6.221 6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.101 6.359 8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.581 5.287 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.252 4.172 6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.797 3.152 6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.185 2.819 7.576 1.00 0.00 H new ATOM 793 N PRO A 53 1.773 5.141 9.797 1.00 0.00 N ATOM 794 CA PRO A 53 2.514 6.078 10.646 1.00 0.00 C ATOM 795 C PRO A 53 1.927 7.485 10.606 1.00 0.00 C ATOM 796 O PRO A 53 1.645 8.020 9.534 1.00 0.00 O ATOM 797 CB PRO A 53 3.920 6.067 10.043 1.00 0.00 C ATOM 798 CG PRO A 53 3.719 5.672 8.620 1.00 0.00 C ATOM 799 CD PRO A 53 2.547 4.729 8.614 1.00 0.00 C ATOM 0 HA PRO A 53 2.484 5.788 11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.391 7.047 10.119 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.568 5.361 10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.521 6.544 7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.610 5.189 8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.962 4.821 7.699 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.867 3.689 8.685 1.00 0.00 H new ATOM 807 N ALA A 54 1.747 8.079 11.781 1.00 0.00 N ATOM 808 CA ALA A 54 1.196 9.425 11.880 1.00 0.00 C ATOM 809 C ALA A 54 2.014 10.414 11.056 1.00 0.00 C ATOM 810 O ALA A 54 3.111 10.110 10.587 1.00 0.00 O ATOM 811 CB ALA A 54 1.139 9.866 13.335 1.00 0.00 C ATOM 0 H ALA A 54 1.975 7.649 12.678 1.00 0.00 H new ATOM 0 HA ALA A 54 0.183 9.408 11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.726 10.873 13.394 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.506 9.180 13.899 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.144 9.861 13.756 1.00 0.00 H new ATOM 817 N PRO A 55 1.470 11.627 10.876 1.00 0.00 N ATOM 818 CA PRO A 55 2.132 12.685 10.107 1.00 0.00 C ATOM 819 C PRO A 55 3.362 13.236 10.822 1.00 0.00 C ATOM 820 O PRO A 55 4.297 13.719 10.184 1.00 0.00 O ATOM 821 CB PRO A 55 1.055 13.766 9.989 1.00 0.00 C ATOM 822 CG PRO A 55 0.164 13.541 11.161 1.00 0.00 C ATOM 823 CD PRO A 55 0.165 12.058 11.407 1.00 0.00 C ATOM 0 HA PRO A 55 2.498 12.322 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.492 14.764 10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.506 13.678 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.527 14.081 12.036 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.844 13.902 10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.066 11.826 12.467 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.661 11.565 10.894 1.00 0.00 H new ATOM 831 N GLU A 56 3.355 13.159 12.149 1.00 0.00 N ATOM 832 CA GLU A 56 4.470 13.651 12.949 1.00 0.00 C ATOM 833 C GLU A 56 5.701 12.767 12.768 1.00 0.00 C ATOM 834 O GLU A 56 6.833 13.253 12.756 1.00 0.00 O ATOM 835 CB GLU A 56 4.080 13.707 14.427 1.00 0.00 C ATOM 836 CG GLU A 56 3.740 12.350 15.019 1.00 0.00 C ATOM 837 CD GLU A 56 3.729 12.361 16.535 1.00 0.00 C ATOM 838 OE1 GLU A 56 4.797 12.607 17.133 1.00 0.00 O ATOM 839 OE2 GLU A 56 2.654 12.121 17.123 1.00 0.00 O ATOM 0 H GLU A 56 2.589 12.761 12.693 1.00 0.00 H new ATOM 0 HA GLU A 56 4.714 14.657 12.607 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.901 14.146 14.994 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.222 14.370 14.543 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.763 12.033 14.655 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.464 11.614 14.670 1.00 0.00 H new ATOM 846 N LEU A 57 5.471 11.466 12.627 1.00 0.00 N ATOM 847 CA LEU A 57 6.560 10.512 12.448 1.00 0.00 C ATOM 848 C LEU A 57 7.246 10.716 11.102 1.00 0.00 C ATOM 849 O LEU A 57 8.405 10.343 10.922 1.00 0.00 O ATOM 850 CB LEU A 57 6.032 9.080 12.553 1.00 0.00 C ATOM 851 CG LEU A 57 5.446 8.678 13.906 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.787 7.310 13.818 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.527 8.682 14.978 1.00 0.00 C ATOM 0 H LEU A 57 4.541 11.048 12.633 1.00 0.00 H new ATOM 0 HA LEU A 57 7.292 10.681 13.237 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.265 8.940 11.791 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.846 8.396 12.315 1.00 0.00 H new ATOM 0 HG LEU A 57 4.685 9.408 14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.376 7.041 14.791 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.985 7.339 13.080 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.527 6.568 13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.092 8.393 15.935 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.310 7.974 14.707 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.954 9.681 15.060 1.00 0.00 H new ATOM 865 N GLN A 58 6.522 11.312 10.159 1.00 0.00 N ATOM 866 CA GLN A 58 7.063 11.567 8.829 1.00 0.00 C ATOM 867 C GLN A 58 7.714 10.312 8.257 1.00 0.00 C ATOM 868 O GLN A 58 8.854 10.348 7.794 1.00 0.00 O ATOM 869 CB GLN A 58 8.082 12.706 8.879 1.00 0.00 C ATOM 870 CG GLN A 58 7.449 14.084 8.985 1.00 0.00 C ATOM 871 CD GLN A 58 8.422 15.201 8.661 1.00 0.00 C ATOM 872 OE1 GLN A 58 8.443 15.717 7.543 1.00 0.00 O ATOM 873 NE2 GLN A 58 9.235 15.579 9.640 1.00 0.00 N ATOM 0 H GLN A 58 5.561 11.627 10.291 1.00 0.00 H new ATOM 0 HA GLN A 58 6.238 11.856 8.178 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.744 12.553 9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.702 12.668 7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.597 14.141 8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.063 14.225 9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.183 15.123 10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.912 16.325 9.481 1.00 0.00 H new ATOM 882 N SER A 59 6.982 9.203 8.290 1.00 0.00 N ATOM 883 CA SER A 59 7.490 7.936 7.779 1.00 0.00 C ATOM 884 C SER A 59 6.692 7.484 6.559 1.00 0.00 C ATOM 885 O SER A 59 5.525 7.841 6.399 1.00 0.00 O ATOM 886 CB SER A 59 7.431 6.862 8.866 1.00 0.00 C ATOM 887 OG SER A 59 8.447 5.891 8.680 1.00 0.00 O ATOM 0 H SER A 59 6.035 9.157 8.666 1.00 0.00 H new ATOM 0 HA SER A 59 8.528 8.083 7.480 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.542 7.326 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.454 6.378 8.851 1.00 0.00 H new ATOM 0 HG SER A 59 8.389 5.217 9.389 1.00 0.00 H new ATOM 893 N ASP A 60 7.331 6.696 5.701 1.00 0.00 N ATOM 894 CA ASP A 60 6.683 6.193 4.495 1.00 0.00 C ATOM 895 C ASP A 60 6.625 4.669 4.505 1.00 0.00 C ATOM 896 O ASP A 60 6.516 4.036 3.455 1.00 0.00 O ATOM 897 CB ASP A 60 7.425 6.680 3.250 1.00 0.00 C ATOM 898 CG ASP A 60 7.644 8.180 3.255 1.00 0.00 C ATOM 899 OD1 ASP A 60 6.711 8.913 3.644 1.00 0.00 O ATOM 900 OD2 ASP A 60 8.747 8.621 2.870 1.00 0.00 O ATOM 0 H ASP A 60 8.297 6.392 5.818 1.00 0.00 H new ATOM 0 HA ASP A 60 5.663 6.577 4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.389 6.175 3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.859 6.402 2.361 1.00 0.00 H new ATOM 905 N ILE A 61 6.699 4.087 5.697 1.00 0.00 N ATOM 906 CA ILE A 61 6.655 2.637 5.843 1.00 0.00 C ATOM 907 C ILE A 61 5.412 2.199 6.610 1.00 0.00 C ATOM 908 O ILE A 61 5.237 2.545 7.777 1.00 0.00 O ATOM 909 CB ILE A 61 7.905 2.106 6.569 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.163 2.798 6.038 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.014 0.597 6.401 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.522 2.398 4.625 1.00 0.00 C ATOM 0 H ILE A 61 6.790 4.597 6.576 1.00 0.00 H new ATOM 0 HA ILE A 61 6.624 2.220 4.837 1.00 0.00 H new ATOM 0 HB ILE A 61 7.811 2.329 7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.017 3.878 6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.000 2.567 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.902 0.236 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.129 0.119 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.089 0.353 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.423 2.927 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.700 1.323 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.702 2.655 3.955 1.00 0.00 H new ATOM 924 N ILE A 62 4.553 1.434 5.944 1.00 0.00 N ATOM 925 CA ILE A 62 3.327 0.946 6.563 1.00 0.00 C ATOM 926 C ILE A 62 3.522 -0.451 7.143 1.00 0.00 C ATOM 927 O ILE A 62 4.117 -1.320 6.507 1.00 0.00 O ATOM 928 CB ILE A 62 2.162 0.914 5.557 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.686 2.334 5.247 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.016 0.073 6.101 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.578 2.390 4.220 1.00 0.00 C ATOM 0 H ILE A 62 4.684 1.139 4.976 1.00 0.00 H new ATOM 0 HA ILE A 62 3.082 1.640 7.367 1.00 0.00 H new ATOM 0 HB ILE A 62 2.514 0.459 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.340 2.802 6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.531 2.922 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.200 0.060 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.363 -0.946 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.664 0.502 7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.291 3.428 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.927 1.952 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.284 1.830 4.584 1.00 0.00 H new ATOM 943 N ALA A 63 3.016 -0.659 8.355 1.00 0.00 N ATOM 944 CA ALA A 63 3.131 -1.950 9.019 1.00 0.00 C ATOM 945 C ALA A 63 1.828 -2.737 8.920 1.00 0.00 C ATOM 946 O ALA A 63 0.777 -2.272 9.359 1.00 0.00 O ATOM 947 CB ALA A 63 3.526 -1.762 10.477 1.00 0.00 C ATOM 0 H ALA A 63 2.523 0.051 8.896 1.00 0.00 H new ATOM 0 HA ALA A 63 3.910 -2.521 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.608 -2.736 10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.486 -1.248 10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.767 -1.167 10.986 1.00 0.00 H new ATOM 953 N ILE A 64 1.906 -3.931 8.340 1.00 0.00 N ATOM 954 CA ILE A 64 0.732 -4.781 8.185 1.00 0.00 C ATOM 955 C ILE A 64 0.849 -6.041 9.036 1.00 0.00 C ATOM 956 O ILE A 64 1.808 -6.804 8.909 1.00 0.00 O ATOM 957 CB ILE A 64 0.523 -5.187 6.714 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.507 -3.947 5.818 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.770 -5.975 6.561 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.335 -4.266 4.349 1.00 0.00 C ATOM 0 H ILE A 64 2.769 -4.331 7.970 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.126 -4.198 8.519 1.00 0.00 H new ATOM 0 HB ILE A 64 1.352 -5.824 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.302 -3.289 6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.438 -3.397 5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.904 -6.255 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.723 -6.875 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.611 -5.360 6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.333 -3.340 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.157 -4.899 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.609 -4.789 4.198 1.00 0.00 H new ATOM 972 N THR A 65 -0.134 -6.254 9.906 1.00 0.00 N ATOM 973 CA THR A 65 -0.142 -7.421 10.779 1.00 0.00 C ATOM 974 C THR A 65 -1.061 -8.509 10.234 1.00 0.00 C ATOM 975 O THR A 65 -2.127 -8.220 9.691 1.00 0.00 O ATOM 976 CB THR A 65 -0.591 -7.053 12.205 1.00 0.00 C ATOM 977 OG1 THR A 65 0.303 -6.086 12.765 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.634 -8.287 13.094 1.00 0.00 C ATOM 0 H THR A 65 -0.935 -5.633 10.024 1.00 0.00 H new ATOM 0 HA THR A 65 0.881 -7.796 10.814 1.00 0.00 H new ATOM 0 HB THR A 65 -1.594 -6.630 12.149 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.010 -5.856 13.671 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.954 -8.002 14.096 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.338 -9.009 12.680 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.359 -8.735 13.143 1.00 0.00 H new ATOM 986 N GLY A 66 -0.641 -9.762 10.383 1.00 0.00 N ATOM 987 CA GLY A 66 -1.440 -10.874 9.900 1.00 0.00 C ATOM 988 C GLY A 66 -0.611 -12.120 9.657 1.00 0.00 C ATOM 989 O GLY A 66 0.617 -12.082 9.732 1.00 0.00 O ATOM 0 H GLY A 66 0.237 -10.027 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.222 -11.097 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.937 -10.585 8.974 1.00 0.00 H new ATOM 993 N LEU A 67 -1.284 -13.227 9.365 1.00 0.00 N ATOM 994 CA LEU A 67 -0.602 -14.491 9.111 1.00 0.00 C ATOM 995 C LEU A 67 0.203 -14.425 7.818 1.00 0.00 C ATOM 996 O LEU A 67 -0.235 -13.834 6.830 1.00 0.00 O ATOM 997 CB LEU A 67 -1.616 -15.634 9.035 1.00 0.00 C ATOM 998 CG LEU A 67 -2.261 -16.047 10.359 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.316 -17.119 10.127 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.204 -16.539 11.337 1.00 0.00 C ATOM 0 H LEU A 67 -2.301 -13.275 9.298 1.00 0.00 H new ATOM 0 HA LEU A 67 0.085 -14.677 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.407 -15.346 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.120 -16.506 8.608 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.749 -15.174 10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.764 -17.401 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.089 -16.731 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.852 -17.994 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.681 -16.828 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.687 -17.399 10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.485 -15.742 11.527 1.00 0.00 H new ATOM 1012 N ALA A 68 1.383 -15.037 7.829 1.00 0.00 N ATOM 1013 CA ALA A 68 2.248 -15.051 6.655 1.00 0.00 C ATOM 1014 C ALA A 68 1.432 -15.186 5.373 1.00 0.00 C ATOM 1015 O ALA A 68 1.716 -14.527 4.374 1.00 0.00 O ATOM 1016 CB ALA A 68 3.261 -16.181 6.760 1.00 0.00 C ATOM 0 H ALA A 68 1.762 -15.530 8.638 1.00 0.00 H new ATOM 0 HA ALA A 68 2.782 -14.102 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.900 -16.180 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.873 -16.040 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.737 -17.134 6.827 1.00 0.00 H new ATOM 1022 N ALA A 69 0.419 -16.045 5.410 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.438 -16.265 4.252 1.00 0.00 C ATOM 1024 C ALA A 69 -1.204 -14.998 3.887 1.00 0.00 C ATOM 1025 O ALA A 69 -1.138 -14.526 2.753 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.405 -17.409 4.521 1.00 0.00 C ATOM 0 H ALA A 69 0.172 -16.600 6.229 1.00 0.00 H new ATOM 0 HA ALA A 69 0.197 -16.531 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.039 -17.562 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.843 -18.320 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.027 -17.165 5.382 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.931 -14.451 4.857 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.711 -13.238 4.636 1.00 0.00 C ATOM 1034 C ASN A 70 -1.809 -12.079 4.226 1.00 0.00 C ATOM 1035 O ASN A 70 -2.043 -11.425 3.208 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.489 -12.871 5.901 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.362 -14.009 6.395 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.584 -14.990 5.683 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.861 -13.884 7.619 1.00 0.00 N ATOM 0 H ASN A 70 -1.996 -14.828 5.802 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.415 -13.430 3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.788 -12.588 6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.112 -11.999 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.455 -14.618 8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.651 -13.054 8.173 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.777 -11.829 5.024 1.00 0.00 N ATOM 1047 CA LEU A 71 0.162 -10.748 4.744 1.00 0.00 C ATOM 1048 C LEU A 71 0.506 -10.696 3.258 1.00 0.00 C ATOM 1049 O LEU A 71 0.545 -9.622 2.657 1.00 0.00 O ATOM 1050 CB LEU A 71 1.438 -10.928 5.568 1.00 0.00 C ATOM 1051 CG LEU A 71 1.250 -11.038 7.082 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.518 -11.557 7.742 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.854 -9.691 7.669 1.00 0.00 C ATOM 0 H LEU A 71 -0.569 -12.360 5.870 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.313 -9.807 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.948 -11.826 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.100 -10.086 5.364 1.00 0.00 H new ATOM 0 HG LEU A 71 0.447 -11.748 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.365 -11.628 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.758 -12.543 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.341 -10.872 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.724 -9.788 8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.635 -8.960 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.082 -9.359 7.219 1.00 0.00 H new ATOM 1065 N ASP A 72 0.752 -11.862 2.673 1.00 0.00 N ATOM 1066 CA ASP A 72 1.090 -11.951 1.257 1.00 0.00 C ATOM 1067 C ASP A 72 -0.024 -11.364 0.396 1.00 0.00 C ATOM 1068 O ASP A 72 0.210 -10.466 -0.414 1.00 0.00 O ATOM 1069 CB ASP A 72 1.346 -13.405 0.862 1.00 0.00 C ATOM 1070 CG ASP A 72 2.800 -13.803 1.025 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.677 -13.044 0.564 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.059 -14.874 1.612 1.00 0.00 O ATOM 0 H ASP A 72 0.724 -12.759 3.157 1.00 0.00 H new ATOM 0 HA ASP A 72 1.998 -11.373 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.723 -14.059 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.046 -13.555 -0.175 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.237 -11.879 0.575 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.387 -11.409 -0.187 1.00 0.00 C ATOM 1079 C ARG A 73 -2.603 -9.912 0.023 1.00 0.00 C ATOM 1080 O ARG A 73 -2.649 -9.141 -0.935 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.645 -12.179 0.219 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.366 -13.599 0.680 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.535 -14.523 0.376 1.00 0.00 C ATOM 1084 NE ARG A 73 -5.676 -14.269 1.252 1.00 0.00 N ATOM 1085 CZ ARG A 73 -6.924 -14.614 0.954 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -7.189 -15.227 -0.192 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -7.908 -14.348 1.802 1.00 0.00 N ATOM 0 H ARG A 73 -1.448 -12.622 1.241 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.188 -11.585 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.149 -11.638 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.332 -12.209 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.468 -13.973 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.167 -13.602 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.839 -14.393 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.216 -15.559 0.487 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.505 -13.801 2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.434 -15.434 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.148 -15.491 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.707 -13.878 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.866 -14.614 1.572 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.737 -9.510 1.282 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.947 -8.108 1.618 1.00 0.00 C ATOM 1103 C ALA A 74 -1.838 -7.234 1.043 1.00 0.00 C ATOM 1104 O ALA A 74 -2.089 -6.358 0.215 1.00 0.00 O ATOM 1105 CB ALA A 74 -3.030 -7.934 3.128 1.00 0.00 C ATOM 0 H ALA A 74 -2.704 -10.136 2.087 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.891 -7.791 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.187 -6.882 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.862 -8.522 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.101 -8.274 3.585 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.610 -7.475 1.489 1.00 0.00 N ATOM 1112 CA LYS A 75 0.539 -6.710 1.019 1.00 0.00 C ATOM 1113 C LYS A 75 0.493 -6.534 -0.496 1.00 0.00 C ATOM 1114 O LYS A 75 0.772 -5.453 -1.013 1.00 0.00 O ATOM 1115 CB LYS A 75 1.841 -7.406 1.422 1.00 0.00 C ATOM 1116 CG LYS A 75 3.083 -6.571 1.162 1.00 0.00 C ATOM 1117 CD LYS A 75 4.353 -7.364 1.422 1.00 0.00 C ATOM 1118 CE LYS A 75 5.586 -6.616 0.940 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.832 -7.405 1.152 1.00 0.00 N ATOM 0 H LYS A 75 -0.385 -8.195 2.176 1.00 0.00 H new ATOM 0 HA LYS A 75 0.502 -5.725 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.797 -7.656 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.925 -8.346 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.077 -6.220 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.068 -5.687 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.444 -7.568 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.291 -8.328 0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.479 -6.384 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.664 -5.666 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.650 -6.861 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.948 -7.605 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.769 -8.301 0.628 1.00 0.00 H new ATOM 1133 N ALA A 76 0.138 -7.604 -1.201 1.00 0.00 N ATOM 1134 CA ALA A 76 0.052 -7.567 -2.655 1.00 0.00 C ATOM 1135 C ALA A 76 -0.880 -6.453 -3.121 1.00 0.00 C ATOM 1136 O ALA A 76 -0.573 -5.730 -4.067 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.419 -8.911 -3.191 1.00 0.00 C ATOM 0 H ALA A 76 -0.095 -8.507 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 76 1.048 -7.361 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.479 -8.868 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.287 -9.688 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.403 -9.141 -2.783 1.00 0.00 H new ATOM 1143 N GLY A 77 -2.020 -6.322 -2.450 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.979 -5.295 -2.811 1.00 0.00 C ATOM 1145 C GLY A 77 -2.410 -3.896 -2.677 1.00 0.00 C ATOM 1146 O GLY A 77 -2.472 -3.099 -3.614 1.00 0.00 O ATOM 0 H GLY A 77 -2.296 -6.909 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.307 -5.454 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.861 -5.387 -2.177 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.854 -3.596 -1.508 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.273 -2.282 -1.253 1.00 0.00 C ATOM 1152 C LEU A 78 -0.185 -1.961 -2.272 1.00 0.00 C ATOM 1153 O LEU A 78 -0.251 -0.948 -2.969 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.694 -2.225 0.163 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.628 -0.840 0.805 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.017 -0.228 0.899 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.015 -0.921 2.182 1.00 0.00 C ATOM 0 H LEU A 78 -1.793 -4.244 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.064 -1.538 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.291 -2.873 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.313 -2.641 0.139 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.012 -0.198 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.950 0.758 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.442 -0.134 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.657 -0.869 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.054 0.074 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.574 -1.579 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.027 -1.316 2.089 1.00 0.00 H new ATOM 1169 N LEU A 79 0.815 -2.832 -2.357 1.00 0.00 N ATOM 1170 CA LEU A 79 1.917 -2.643 -3.294 1.00 0.00 C ATOM 1171 C LEU A 79 1.402 -2.190 -4.656 1.00 0.00 C ATOM 1172 O LEU A 79 1.847 -1.174 -5.192 1.00 0.00 O ATOM 1173 CB LEU A 79 2.713 -3.941 -3.444 1.00 0.00 C ATOM 1174 CG LEU A 79 3.674 -4.275 -2.301 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.357 -5.610 -2.552 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.705 -3.168 -2.131 1.00 0.00 C ATOM 0 H LEU A 79 0.885 -3.676 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 79 2.570 -1.867 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.008 -4.765 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.286 -3.888 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 79 3.099 -4.353 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.037 -5.831 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.605 -6.396 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.920 -5.561 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.380 -3.422 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.276 -3.058 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.198 -2.230 -1.904 1.00 0.00 H new ATOM 1188 N GLU A 80 0.460 -2.947 -5.209 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.116 -2.621 -6.509 1.00 0.00 C ATOM 1190 C GLU A 80 -0.811 -1.263 -6.470 1.00 0.00 C ATOM 1191 O GLU A 80 -0.683 -0.461 -7.396 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.111 -3.701 -6.936 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.458 -5.036 -7.258 1.00 0.00 C ATOM 1194 CD GLU A 80 0.793 -4.886 -8.101 1.00 0.00 C ATOM 1195 OE1 GLU A 80 1.828 -4.450 -7.556 1.00 0.00 O ATOM 1196 OE2 GLU A 80 0.735 -5.204 -9.307 1.00 0.00 O ATOM 0 H GLU A 80 0.079 -3.790 -4.778 1.00 0.00 H new ATOM 0 HA GLU A 80 0.695 -2.576 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.841 -3.846 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.659 -3.353 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.206 -5.546 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.173 -5.668 -7.785 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.546 -1.010 -5.392 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.261 0.250 -5.233 1.00 0.00 C ATOM 1205 C ARG A 81 -1.302 1.434 -5.306 1.00 0.00 C ATOM 1206 O ARG A 81 -1.607 2.456 -5.920 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.012 0.269 -3.900 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.281 1.105 -3.928 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.479 0.283 -4.376 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.713 1.066 -4.375 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.038 1.926 -5.333 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -6.228 2.112 -6.365 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.178 2.602 -5.261 1.00 0.00 N ATOM 0 H ARG A 81 -1.662 -1.661 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.979 0.337 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.267 -0.754 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.350 0.655 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.470 1.515 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.146 1.951 -4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.297 -0.106 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.595 -0.577 -3.717 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.360 0.945 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.352 1.594 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.481 2.773 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.805 2.461 -4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.427 3.262 -5.997 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.142 1.288 -4.674 1.00 0.00 N ATOM 1228 CA VAL A 82 0.863 2.345 -4.667 1.00 0.00 C ATOM 1229 C VAL A 82 1.438 2.566 -6.062 1.00 0.00 C ATOM 1230 O VAL A 82 1.671 3.701 -6.477 1.00 0.00 O ATOM 1231 CB VAL A 82 2.014 2.019 -3.696 1.00 0.00 C ATOM 1232 CG1 VAL A 82 3.096 3.085 -3.774 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.488 1.884 -2.275 1.00 0.00 C ATOM 0 H VAL A 82 0.125 0.448 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 82 0.363 3.255 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 82 2.455 1.066 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.901 2.838 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.491 3.129 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.673 4.053 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.314 1.654 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.021 2.820 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.752 1.081 -2.234 1.00 0.00 H new ATOM 1243 N LYS A 83 1.663 1.473 -6.783 1.00 0.00 N ATOM 1244 CA LYS A 83 2.209 1.545 -8.134 1.00 0.00 C ATOM 1245 C LYS A 83 1.194 2.149 -9.099 1.00 0.00 C ATOM 1246 O LYS A 83 1.543 2.969 -9.947 1.00 0.00 O ATOM 1247 CB LYS A 83 2.619 0.152 -8.615 1.00 0.00 C ATOM 1248 CG LYS A 83 3.745 -0.466 -7.804 1.00 0.00 C ATOM 1249 CD LYS A 83 3.900 -1.947 -8.103 1.00 0.00 C ATOM 1250 CE LYS A 83 4.469 -2.179 -9.493 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.959 -2.216 -9.485 1.00 0.00 N ATOM 0 H LYS A 83 1.476 0.526 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 83 3.089 2.188 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.751 -0.506 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.926 0.213 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.679 0.050 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.548 -0.327 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.555 -2.402 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.931 -2.439 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.085 -3.118 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.129 -1.388 -10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.307 -2.376 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.327 -1.310 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.284 -2.987 -8.868 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.063 1.741 -8.961 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.128 2.244 -9.821 1.00 0.00 C ATOM 1267 C GLU A 84 -1.454 3.697 -9.489 1.00 0.00 C ATOM 1268 O GLU A 84 -1.437 4.564 -10.363 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.383 1.382 -9.673 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.599 1.949 -10.387 1.00 0.00 C ATOM 1271 CD GLU A 84 -3.714 1.461 -11.819 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -2.749 1.645 -12.589 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -4.772 0.896 -12.168 1.00 0.00 O ATOM 0 H GLU A 84 -0.369 1.064 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.781 2.194 -10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.176 0.385 -10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.614 1.270 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.500 1.672 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.545 3.038 -10.381 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.752 3.956 -8.221 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.083 5.304 -7.771 1.00 0.00 C ATOM 1282 C LEU A 85 -1.070 6.317 -8.296 1.00 0.00 C ATOM 1283 O LEU A 85 -1.426 7.250 -9.014 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.130 5.357 -6.244 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.363 4.732 -5.589 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.099 4.447 -4.118 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.572 5.642 -5.748 1.00 0.00 C ATOM 0 H LEU A 85 -1.771 3.250 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.065 5.561 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.243 4.856 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.068 6.400 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.576 3.787 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.987 4.003 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.261 3.756 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.859 5.378 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.439 5.181 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.369 6.603 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.775 5.796 -6.808 1.00 0.00 H new ATOM 1299 N GLN A 86 0.194 6.124 -7.932 1.00 0.00 N ATOM 1300 CA GLN A 86 1.258 7.020 -8.367 1.00 0.00 C ATOM 1301 C GLN A 86 1.217 7.222 -9.878 1.00 0.00 C ATOM 1302 O GLN A 86 1.356 8.341 -10.369 1.00 0.00 O ATOM 1303 CB GLN A 86 2.622 6.465 -7.953 1.00 0.00 C ATOM 1304 CG GLN A 86 3.008 5.189 -8.684 1.00 0.00 C ATOM 1305 CD GLN A 86 4.371 4.670 -8.272 1.00 0.00 C ATOM 1306 OE1 GLN A 86 5.243 4.446 -9.113 1.00 0.00 O ATOM 1307 NE2 GLN A 86 4.564 4.475 -6.972 1.00 0.00 N ATOM 0 H GLN A 86 0.505 5.356 -7.338 1.00 0.00 H new ATOM 0 HA GLN A 86 1.104 7.986 -7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.384 7.223 -8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.616 6.271 -6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.258 4.422 -8.490 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.004 5.375 -9.758 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.814 4.674 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.462 4.127 -6.636 1.00 0.00 H new ATOM 1316 N ALA A 87 1.025 6.129 -10.611 1.00 0.00 N ATOM 1317 CA ALA A 87 0.963 6.187 -12.066 1.00 0.00 C ATOM 1318 C ALA A 87 -0.022 7.255 -12.532 1.00 0.00 C ATOM 1319 O ALA A 87 0.151 7.849 -13.595 1.00 0.00 O ATOM 1320 CB ALA A 87 0.578 4.828 -12.632 1.00 0.00 C ATOM 0 H ALA A 87 0.910 5.194 -10.221 1.00 0.00 H new ATOM 0 HA ALA A 87 1.952 6.456 -12.437 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.535 4.886 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.321 4.087 -12.337 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.399 4.536 -12.246 1.00 0.00 H new ATOM 1326 N GLU A 88 -1.055 7.490 -11.730 1.00 0.00 N ATOM 1327 CA GLU A 88 -2.068 8.485 -12.062 1.00 0.00 C ATOM 1328 C GLU A 88 -1.710 9.845 -11.469 1.00 0.00 C ATOM 1329 O GLU A 88 -1.347 10.771 -12.192 1.00 0.00 O ATOM 1330 CB GLU A 88 -3.440 8.038 -11.553 1.00 0.00 C ATOM 1331 CG GLU A 88 -3.916 6.727 -12.154 1.00 0.00 C ATOM 1332 CD GLU A 88 -3.992 6.773 -13.668 1.00 0.00 C ATOM 1333 OE1 GLU A 88 -2.925 6.817 -14.315 1.00 0.00 O ATOM 1334 OE2 GLU A 88 -5.119 6.765 -14.207 1.00 0.00 O ATOM 0 H GLU A 88 -1.213 7.006 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.105 8.580 -13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.400 7.937 -10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.171 8.816 -11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.240 5.927 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.899 6.483 -11.752 1.00 0.00 H new ATOM 1341 N GLN A 89 -1.818 9.954 -10.148 1.00 0.00 N ATOM 1342 CA GLN A 89 -1.507 11.200 -9.458 1.00 0.00 C ATOM 1343 C GLN A 89 -0.210 11.805 -9.985 1.00 0.00 C ATOM 1344 O GLN A 89 0.004 13.014 -9.892 1.00 0.00 O ATOM 1345 CB GLN A 89 -1.398 10.960 -7.952 1.00 0.00 C ATOM 1346 CG GLN A 89 -0.266 10.021 -7.567 1.00 0.00 C ATOM 1347 CD GLN A 89 0.292 10.314 -6.188 1.00 0.00 C ATOM 1348 OE1 GLN A 89 -0.432 10.749 -5.292 1.00 0.00 O ATOM 1349 NE2 GLN A 89 1.586 10.076 -6.010 1.00 0.00 N ATOM 0 H GLN A 89 -2.118 9.195 -9.536 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.317 11.904 -9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.253 11.916 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -2.340 10.549 -7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.626 8.993 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.534 10.101 -8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.149 9.715 -6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.017 10.254 -5.103 1.00 0.00 H new ATOM 1358 N GLU A 90 0.652 10.957 -10.535 1.00 0.00 N ATOM 1359 CA GLU A 90 1.930 11.409 -11.074 1.00 0.00 C ATOM 1360 C GLU A 90 1.787 11.826 -12.535 1.00 0.00 C ATOM 1361 O GLU A 90 2.383 12.811 -12.972 1.00 0.00 O ATOM 1362 CB GLU A 90 2.981 10.305 -10.949 1.00 0.00 C ATOM 1363 CG GLU A 90 4.405 10.793 -11.161 1.00 0.00 C ATOM 1364 CD GLU A 90 5.398 9.655 -11.297 1.00 0.00 C ATOM 1365 OE1 GLU A 90 4.982 8.551 -11.709 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.590 9.869 -10.992 1.00 0.00 O ATOM 0 H GLU A 90 0.490 9.954 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 90 2.253 12.275 -10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.904 9.852 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.762 9.523 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.443 11.412 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.697 11.426 -10.323 1.00 0.00 H new ATOM 1373 N ASP A 91 0.992 11.071 -13.285 1.00 0.00 N ATOM 1374 CA ASP A 91 0.768 11.362 -14.697 1.00 0.00 C ATOM 1375 C ASP A 91 0.582 12.859 -14.920 1.00 0.00 C ATOM 1376 O ASP A 91 1.295 13.471 -15.716 1.00 0.00 O ATOM 1377 CB ASP A 91 -0.456 10.601 -15.208 1.00 0.00 C ATOM 1378 CG ASP A 91 -0.101 9.231 -15.751 1.00 0.00 C ATOM 1379 OD1 ASP A 91 1.044 9.055 -16.215 1.00 0.00 O ATOM 1380 OD2 ASP A 91 -0.969 8.333 -15.711 1.00 0.00 O ATOM 0 H ASP A 91 0.491 10.252 -12.939 1.00 0.00 H new ATOM 0 HA ASP A 91 1.647 11.037 -15.254 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.177 10.492 -14.398 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.942 11.184 -15.990 1.00 0.00 H new ATOM 1385 N ARG A 92 -0.381 13.443 -14.214 1.00 0.00 N ATOM 1386 CA ARG A 92 -0.662 14.868 -14.337 1.00 0.00 C ATOM 1387 C ARG A 92 0.587 15.696 -14.047 1.00 0.00 C ATOM 1388 O ARG A 92 0.769 16.778 -14.603 1.00 0.00 O ATOM 1389 CB ARG A 92 -1.788 15.272 -13.383 1.00 0.00 C ATOM 1390 CG ARG A 92 -1.503 14.937 -11.928 1.00 0.00 C ATOM 1391 CD ARG A 92 -2.564 15.516 -11.005 1.00 0.00 C ATOM 1392 NE ARG A 92 -2.484 16.972 -10.924 1.00 0.00 N ATOM 1393 CZ ARG A 92 -3.480 17.740 -10.500 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -4.628 17.194 -10.121 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -3.330 19.058 -10.454 1.00 0.00 N ATOM 0 H ARG A 92 -0.980 12.951 -13.551 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.976 15.063 -15.362 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.962 16.344 -13.473 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.708 14.773 -13.688 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.462 13.855 -11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.524 15.327 -11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.552 15.227 -11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.448 15.091 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.615 17.424 -11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.747 16.182 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.392 17.787 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.449 19.481 -10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.096 19.647 -10.128 1.00 0.00 H new ATOM 1409 N ALA A 93 1.442 15.179 -13.171 1.00 0.00 N ATOM 1410 CA ALA A 93 2.673 15.869 -12.807 1.00 0.00 C ATOM 1411 C ALA A 93 3.710 15.765 -13.920 1.00 0.00 C ATOM 1412 O ALA A 93 4.355 16.753 -14.277 1.00 0.00 O ATOM 1413 CB ALA A 93 3.232 15.303 -11.510 1.00 0.00 C ATOM 0 H ALA A 93 1.305 14.285 -12.700 1.00 0.00 H new ATOM 0 HA ALA A 93 2.439 16.923 -12.660 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.151 15.828 -11.250 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.502 15.434 -10.711 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.444 14.241 -11.638 1.00 0.00 H new ATOM 1419 N LEU A 94 3.866 14.564 -14.466 1.00 0.00 N ATOM 1420 CA LEU A 94 4.826 14.331 -15.540 1.00 0.00 C ATOM 1421 C LEU A 94 4.690 15.389 -16.631 1.00 0.00 C ATOM 1422 O LEU A 94 5.647 15.682 -17.349 1.00 0.00 O ATOM 1423 CB LEU A 94 4.624 12.938 -16.138 1.00 0.00 C ATOM 1424 CG LEU A 94 5.769 12.405 -16.999 1.00 0.00 C ATOM 1425 CD1 LEU A 94 6.796 11.687 -16.137 1.00 0.00 C ATOM 1426 CD2 LEU A 94 5.236 11.476 -18.080 1.00 0.00 C ATOM 0 H LEU A 94 3.341 13.737 -14.183 1.00 0.00 H new ATOM 0 HA LEU A 94 5.829 14.397 -15.118 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.452 12.236 -15.322 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.717 12.952 -16.743 1.00 0.00 H new ATOM 0 HG LEU A 94 6.258 13.251 -17.483 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.603 11.314 -16.767 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.201 12.381 -15.400 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.320 10.851 -15.625 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.065 11.106 -18.683 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.722 10.635 -17.616 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.539 12.021 -18.717 1.00 0.00 H new ATOM 1438 N ARG A 95 3.496 15.961 -16.749 1.00 0.00 N ATOM 1439 CA ARG A 95 3.236 16.987 -17.751 1.00 0.00 C ATOM 1440 C ARG A 95 4.111 18.214 -17.513 1.00 0.00 C ATOM 1441 O ARG A 95 4.307 18.637 -16.373 1.00 0.00 O ATOM 1442 CB ARG A 95 1.760 17.387 -17.730 1.00 0.00 C ATOM 1443 CG ARG A 95 1.386 18.396 -18.804 1.00 0.00 C ATOM 1444 CD ARG A 95 1.129 17.717 -20.140 1.00 0.00 C ATOM 1445 NE ARG A 95 2.368 17.296 -20.789 1.00 0.00 N ATOM 1446 CZ ARG A 95 3.132 18.107 -21.510 1.00 0.00 C ATOM 1447 NH1 ARG A 95 2.786 19.377 -21.675 1.00 0.00 N ATOM 1448 NH2 ARG A 95 4.246 17.651 -22.069 1.00 0.00 N ATOM 0 H ARG A 95 2.694 15.731 -16.163 1.00 0.00 H new ATOM 0 HA ARG A 95 3.479 16.574 -18.730 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.149 16.493 -17.855 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.519 17.804 -16.752 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.496 18.944 -18.496 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.188 19.126 -18.914 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.487 16.849 -19.988 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.591 18.401 -20.796 1.00 0.00 H new ATOM 0 HE ARG A 95 2.662 16.325 -20.682 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.931 19.732 -21.247 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.375 19.998 -22.230 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.517 16.675 -21.945 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.832 18.276 -22.623 1.00 0.00 H new ATOM 1462 N SER A 96 4.633 18.782 -18.595 1.00 0.00 N ATOM 1463 CA SER A 96 5.491 19.958 -18.503 1.00 0.00 C ATOM 1464 C SER A 96 6.470 19.827 -17.340 1.00 0.00 C ATOM 1465 O SER A 96 6.749 20.798 -16.637 1.00 0.00 O ATOM 1466 CB SER A 96 4.644 21.220 -18.330 1.00 0.00 C ATOM 1467 OG SER A 96 4.123 21.310 -17.016 1.00 0.00 O ATOM 0 H SER A 96 4.477 18.447 -19.546 1.00 0.00 H new ATOM 0 HA SER A 96 6.061 20.034 -19.429 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.250 22.100 -18.545 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.825 21.213 -19.049 1.00 0.00 H new ATOM 0 HG SER A 96 4.063 20.413 -16.626 1.00 0.00 H new ATOM 1473 N PHE A 97 6.989 18.619 -17.145 1.00 0.00 N ATOM 1474 CA PHE A 97 7.936 18.359 -16.068 1.00 0.00 C ATOM 1475 C PHE A 97 9.072 17.459 -16.547 1.00 0.00 C ATOM 1476 O PHE A 97 8.838 16.414 -17.152 1.00 0.00 O ATOM 1477 CB PHE A 97 7.224 17.710 -14.879 1.00 0.00 C ATOM 1478 CG PHE A 97 8.130 17.442 -13.710 1.00 0.00 C ATOM 1479 CD1 PHE A 97 8.339 18.412 -12.743 1.00 0.00 C ATOM 1480 CD2 PHE A 97 8.771 16.222 -13.580 1.00 0.00 C ATOM 1481 CE1 PHE A 97 9.172 18.168 -11.668 1.00 0.00 C ATOM 1482 CE2 PHE A 97 9.606 15.972 -12.507 1.00 0.00 C ATOM 1483 CZ PHE A 97 9.805 16.946 -11.548 1.00 0.00 C ATOM 0 H PHE A 97 6.769 17.805 -17.719 1.00 0.00 H new ATOM 0 HA PHE A 97 8.359 19.313 -15.753 1.00 0.00 H new ATOM 0 HB2 PHE A 97 6.409 18.358 -14.556 1.00 0.00 H new ATOM 0 HB3 PHE A 97 6.775 16.771 -15.203 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.846 19.369 -12.830 1.00 0.00 H new ATOM 0 HD2 PHE A 97 8.617 15.456 -14.326 1.00 0.00 H new ATOM 0 HE1 PHE A 97 9.328 18.933 -10.921 1.00 0.00 H new ATOM 0 HE2 PHE A 97 10.102 15.017 -12.419 1.00 0.00 H new ATOM 0 HZ PHE A 97 10.454 16.753 -10.707 1.00 0.00 H new ATOM 1493 N LYS A 98 10.304 17.876 -16.272 1.00 0.00 N ATOM 1494 CA LYS A 98 11.477 17.109 -16.674 1.00 0.00 C ATOM 1495 C LYS A 98 11.481 15.734 -16.014 1.00 0.00 C ATOM 1496 O LYS A 98 11.287 15.614 -14.805 1.00 0.00 O ATOM 1497 CB LYS A 98 12.756 17.866 -16.307 1.00 0.00 C ATOM 1498 CG LYS A 98 13.255 18.786 -17.408 1.00 0.00 C ATOM 1499 CD LYS A 98 12.662 20.179 -17.282 1.00 0.00 C ATOM 1500 CE LYS A 98 11.365 20.306 -18.066 1.00 0.00 C ATOM 1501 NZ LYS A 98 11.584 20.144 -19.530 1.00 0.00 N ATOM 0 H LYS A 98 10.515 18.740 -15.773 1.00 0.00 H new ATOM 0 HA LYS A 98 11.439 16.973 -17.755 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.575 18.454 -15.408 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.538 17.146 -16.065 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.342 18.847 -17.367 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.996 18.366 -18.380 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.477 20.403 -16.231 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.380 20.915 -17.643 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.656 19.554 -17.719 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.917 21.280 -17.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.819 20.619 -20.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.496 20.568 -19.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.590 19.132 -19.770 1.00 0.00 H new ATOM 1515 N SER A 99 11.704 14.698 -16.817 1.00 0.00 N ATOM 1516 CA SER A 99 11.732 13.331 -16.311 1.00 0.00 C ATOM 1517 C SER A 99 13.140 12.942 -15.871 1.00 0.00 C ATOM 1518 O SER A 99 13.358 12.551 -14.725 1.00 0.00 O ATOM 1519 CB SER A 99 11.233 12.358 -17.382 1.00 0.00 C ATOM 1520 OG SER A 99 10.756 11.157 -16.799 1.00 0.00 O ATOM 0 H SER A 99 11.868 14.780 -17.820 1.00 0.00 H new ATOM 0 HA SER A 99 11.072 13.277 -15.445 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.437 12.826 -17.960 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.041 12.132 -18.077 1.00 0.00 H new ATOM 0 HG SER A 99 10.442 10.553 -17.504 1.00 0.00 H new ATOM 1526 N GLY A 100 14.092 13.053 -16.791 1.00 0.00 N ATOM 1527 CA GLY A 100 15.468 12.710 -16.480 1.00 0.00 C ATOM 1528 C GLY A 100 16.151 11.968 -17.612 1.00 0.00 C ATOM 1529 O GLY A 100 15.529 11.192 -18.338 1.00 0.00 O ATOM 0 H GLY A 100 13.936 13.374 -17.746 1.00 0.00 H new ATOM 0 HA2 GLY A 100 16.025 13.620 -16.258 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.491 12.095 -15.580 1.00 0.00 H new ATOM 1533 N PRO A 101 17.460 12.205 -17.774 1.00 0.00 N ATOM 1534 CA PRO A 101 18.256 11.564 -18.826 1.00 0.00 C ATOM 1535 C PRO A 101 18.458 10.073 -18.572 1.00 0.00 C ATOM 1536 O PRO A 101 19.146 9.392 -19.332 1.00 0.00 O ATOM 1537 CB PRO A 101 19.596 12.303 -18.758 1.00 0.00 C ATOM 1538 CG PRO A 101 19.678 12.808 -17.359 1.00 0.00 C ATOM 1539 CD PRO A 101 18.266 13.117 -16.944 1.00 0.00 C ATOM 0 HA PRO A 101 17.769 11.624 -19.799 1.00 0.00 H new ATOM 0 HB2 PRO A 101 20.428 11.637 -18.988 1.00 0.00 H new ATOM 0 HB3 PRO A 101 19.634 13.121 -19.477 1.00 0.00 H new ATOM 0 HG2 PRO A 101 20.123 12.062 -16.701 1.00 0.00 H new ATOM 0 HG3 PRO A 101 20.305 13.698 -17.302 1.00 0.00 H new ATOM 0 HD2 PRO A 101 18.111 12.936 -15.880 1.00 0.00 H new ATOM 0 HD3 PRO A 101 18.012 14.160 -17.130 1.00 0.00 H new ATOM 1547 N SER A 102 17.852 9.572 -17.500 1.00 0.00 N ATOM 1548 CA SER A 102 17.968 8.162 -17.145 1.00 0.00 C ATOM 1549 C SER A 102 18.043 7.292 -18.396 1.00 0.00 C ATOM 1550 O SER A 102 18.999 6.539 -18.585 1.00 0.00 O ATOM 1551 CB SER A 102 16.779 7.734 -16.282 1.00 0.00 C ATOM 1552 OG SER A 102 16.980 8.089 -14.925 1.00 0.00 O ATOM 0 H SER A 102 17.276 10.121 -16.862 1.00 0.00 H new ATOM 0 HA SER A 102 18.888 8.029 -16.576 1.00 0.00 H new ATOM 0 HB2 SER A 102 15.868 8.204 -16.653 1.00 0.00 H new ATOM 0 HB3 SER A 102 16.637 6.656 -16.362 1.00 0.00 H new ATOM 0 HG SER A 102 16.206 7.806 -14.395 1.00 0.00 H new ATOM 1558 N SER A 103 17.028 7.401 -19.247 1.00 0.00 N ATOM 1559 CA SER A 103 16.977 6.621 -20.479 1.00 0.00 C ATOM 1560 C SER A 103 17.512 7.430 -21.657 1.00 0.00 C ATOM 1561 O SER A 103 18.347 6.953 -22.423 1.00 0.00 O ATOM 1562 CB SER A 103 15.542 6.173 -20.764 1.00 0.00 C ATOM 1563 OG SER A 103 14.709 7.282 -21.059 1.00 0.00 O ATOM 0 H SER A 103 16.230 8.021 -19.107 1.00 0.00 H new ATOM 0 HA SER A 103 17.607 5.741 -20.349 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.535 5.476 -21.602 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.147 5.637 -19.901 1.00 0.00 H new ATOM 0 HG SER A 103 13.798 6.968 -21.239 1.00 0.00 H new ATOM 1569 N GLY A 104 17.023 8.659 -21.794 1.00 0.00 N ATOM 1570 CA GLY A 104 17.463 9.516 -22.879 1.00 0.00 C ATOM 1571 C GLY A 104 16.314 10.259 -23.533 1.00 0.00 C ATOM 1572 O GLY A 104 15.148 9.989 -23.246 1.00 0.00 O ATOM 0 H GLY A 104 16.330 9.076 -21.173 1.00 0.00 H new ATOM 0 HA2 GLY A 104 18.188 10.236 -22.498 1.00 0.00 H new ATOM 0 HA3 GLY A 104 17.976 8.914 -23.629 1.00 0.00 H new TER 1576 GLY A 104