USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1072 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 51 THR OG1 : rot 169:sc= 1.19 USER MOD Set 1.2: A 97 MET CE :methyl -143:sc= -0.335 (180deg=-1.27) USER MOD Set 2.1: A 59 MET CE :methyl -124:sc= -2.88 (180deg=-7.92!) USER MOD Set 2.2: A 88 MET CE :methyl -171:sc= -2.76 (180deg=-2.45) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0561 USER MOD Single : A 3 HIS : no HD1:sc= -2.81 K(o=-2.8,f=-7.6!) USER MOD Single : A 4 SER OG : rot -170:sc= -2.16 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.049) USER MOD Single : A 23 SER OG : rot 59:sc= 1.11 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0361 USER MOD Single : A 32 THR OG1 : rot 116:sc= 0.438 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= -0.0855 (180deg=-0.21) USER MOD Single : A 38 HIS : no HD1:sc= -4.47 K(o=-4.5,f=-5.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc=-0.00183 USER MOD Single : A 44 THR OG1 : rot -29:sc= -0.113 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.41! C(o=-3.4!,f=-3.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00235 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -120:sc= -2.23! (180deg=-4.42!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= -0.193 (180deg=-0.931) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.12!) USER MOD Single : A 78 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.17) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 87 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-5.5!) USER MOD Single : A 90 SER OG : rot 89:sc= 1.28 USER MOD Single : A 92 ASN : amide:sc=-0.00741 X(o=-0.0074,f=-0.23) USER MOD Single : A 93 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.996 X(o=-1,f=-1.1) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 162:sc= -2.91 (180deg=-3.59!) USER MOD Single : A 103 THR OG1 : rot -120:sc= -3.09 USER MOD Single : A 105 GLN : amide:sc= -8.05! C(o=-8.1!,f=-5!) USER MOD Single : A 106 GLN : amide:sc=-0.00792 X(o=-0.0079,f=-0.2) USER MOD Single : A 109 SER OG : rot -86:sc= 0.988 USER MOD Single : A 111 TYR OH : rot 112:sc= -3.32! USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= -1.69 (180deg=-3.92!) USER MOD Single : B 666 SER OG : rot 180:sc= 0.0738 USER MOD Single : B 675 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : B 676 LYS NZ :NH3+ -132:sc= 0.00583 (180deg=-0.405) USER MOD Single : B 677 SER OG : rot 180:sc= -0.141 USER MOD Single : B 678 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 680 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -7.190 -16.655 -5.306 1.00 0.00 N ATOM 2 CA PRO A 1 -6.554 -15.591 -6.128 1.00 0.00 C ATOM 3 C PRO A 1 -5.539 -14.784 -5.318 1.00 0.00 C ATOM 4 O PRO A 1 -5.864 -13.733 -4.766 1.00 0.00 O ATOM 5 CB PRO A 1 -7.667 -14.683 -6.645 1.00 0.00 C ATOM 6 CG PRO A 1 -8.926 -15.352 -6.206 1.00 0.00 C ATOM 7 CD PRO A 1 -8.562 -16.209 -5.018 1.00 0.00 C ATOM 0 H2 PRO A 1 -6.669 -16.804 -4.442 1.00 0.00 H new ATOM 0 H3 PRO A 1 -7.196 -17.543 -5.807 1.00 0.00 H new ATOM 0 HA PRO A 1 -6.006 -16.044 -6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -7.585 -13.678 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -7.627 -14.584 -7.730 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -9.683 -14.616 -5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -9.344 -15.959 -7.009 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -8.610 -15.643 -4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -9.242 -17.054 -4.912 1.00 0.00 H new ATOM 17 N SER A 2 -4.310 -15.285 -5.254 1.00 0.00 N ATOM 18 CA SER A 2 -3.247 -14.613 -4.514 1.00 0.00 C ATOM 19 C SER A 2 -2.793 -13.349 -5.237 1.00 0.00 C ATOM 20 O SER A 2 -2.397 -12.370 -4.605 1.00 0.00 O ATOM 21 CB SER A 2 -2.060 -15.557 -4.319 1.00 0.00 C ATOM 22 OG SER A 2 -2.465 -16.912 -4.406 1.00 0.00 O ATOM 0 H SER A 2 -4.025 -16.154 -5.705 1.00 0.00 H new ATOM 0 HA SER A 2 -3.642 -14.328 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.301 -15.352 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.601 -15.373 -3.347 1.00 0.00 H new ATOM 0 HG SER A 2 -1.687 -17.495 -4.280 1.00 0.00 H new ATOM 28 N HIS A 3 -2.852 -13.380 -6.563 1.00 0.00 N ATOM 29 CA HIS A 3 -2.444 -12.237 -7.375 1.00 0.00 C ATOM 30 C HIS A 3 -3.617 -11.296 -7.647 1.00 0.00 C ATOM 31 O HIS A 3 -3.531 -10.427 -8.514 1.00 0.00 O ATOM 32 CB HIS A 3 -1.844 -12.722 -8.694 1.00 0.00 C ATOM 33 CG HIS A 3 -0.468 -13.291 -8.543 1.00 0.00 C ATOM 34 ND1 HIS A 3 0.003 -14.337 -9.306 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.539 -12.955 -7.704 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.241 -14.622 -8.942 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.590 -13.797 -7.971 1.00 0.00 N ATOM 0 H HIS A 3 -3.178 -14.184 -7.100 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.691 -11.680 -6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.498 -13.480 -9.126 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.811 -11.890 -9.398 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.520 -12.170 -6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.862 -15.397 -9.366 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.493 -13.787 -7.497 1.00 0.00 H new ATOM 46 N SER A 4 -4.708 -11.464 -6.902 1.00 0.00 N ATOM 47 CA SER A 4 -5.880 -10.613 -7.074 1.00 0.00 C ATOM 48 C SER A 4 -6.669 -10.491 -5.776 1.00 0.00 C ATOM 49 O SER A 4 -6.610 -11.363 -4.909 1.00 0.00 O ATOM 50 CB SER A 4 -6.780 -11.146 -8.190 1.00 0.00 C ATOM 51 OG SER A 4 -6.833 -12.561 -8.174 1.00 0.00 O ATOM 0 H SER A 4 -4.803 -12.177 -6.179 1.00 0.00 H new ATOM 0 HA SER A 4 -5.527 -9.620 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.785 -10.741 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.407 -10.804 -9.156 1.00 0.00 H new ATOM 0 HG SER A 4 -7.282 -12.881 -8.984 1.00 0.00 H new ATOM 57 N GLY A 5 -7.402 -9.392 -5.654 1.00 0.00 N ATOM 58 CA GLY A 5 -8.196 -9.137 -4.469 1.00 0.00 C ATOM 59 C GLY A 5 -8.782 -7.745 -4.502 1.00 0.00 C ATOM 60 O GLY A 5 -8.109 -6.803 -4.904 1.00 0.00 O ATOM 0 H GLY A 5 -7.460 -8.664 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.998 -9.872 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.577 -9.254 -3.579 1.00 0.00 H new ATOM 64 N ALA A 6 -10.041 -7.608 -4.110 1.00 0.00 N ATOM 65 CA ALA A 6 -10.696 -6.308 -4.138 1.00 0.00 C ATOM 66 C ALA A 6 -10.381 -5.466 -2.904 1.00 0.00 C ATOM 67 O ALA A 6 -10.234 -5.985 -1.798 1.00 0.00 O ATOM 68 CB ALA A 6 -12.191 -6.483 -4.321 1.00 0.00 C ATOM 0 H ALA A 6 -10.625 -8.373 -3.772 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.298 -5.757 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.672 -5.505 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.384 -7.002 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.593 -7.068 -3.494 1.00 0.00 H new ATOM 74 N ALA A 7 -10.267 -4.155 -3.121 1.00 0.00 N ATOM 75 CA ALA A 7 -9.954 -3.212 -2.051 1.00 0.00 C ATOM 76 C ALA A 7 -10.461 -1.809 -2.389 1.00 0.00 C ATOM 77 O ALA A 7 -10.915 -1.560 -3.505 1.00 0.00 O ATOM 78 CB ALA A 7 -8.455 -3.186 -1.803 1.00 0.00 C ATOM 0 H ALA A 7 -10.388 -3.721 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.460 -3.543 -1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.231 -2.480 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.117 -4.181 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.941 -2.878 -2.714 1.00 0.00 H new ATOM 84 N ILE A 8 -10.394 -0.899 -1.417 1.00 0.00 N ATOM 85 CA ILE A 8 -10.857 0.476 -1.621 1.00 0.00 C ATOM 86 C ILE A 8 -9.701 1.444 -1.847 1.00 0.00 C ATOM 87 O ILE A 8 -8.767 1.505 -1.049 1.00 0.00 O ATOM 88 CB ILE A 8 -11.664 0.998 -0.411 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.814 0.050 -0.037 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.196 2.400 -0.689 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.478 -0.637 -1.204 1.00 0.00 C ATOM 0 H ILE A 8 -10.026 -1.087 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.489 0.437 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.985 1.040 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.431 -0.711 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.568 0.616 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.762 2.752 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.361 3.076 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.846 2.376 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.276 -1.284 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.897 0.112 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.742 -1.236 -1.741 1.00 0.00 H new ATOM 103 N PHE A 9 -9.791 2.228 -2.915 1.00 0.00 N ATOM 104 CA PHE A 9 -8.769 3.224 -3.212 1.00 0.00 C ATOM 105 C PHE A 9 -9.395 4.602 -3.418 1.00 0.00 C ATOM 106 O PHE A 9 -10.060 4.852 -4.422 1.00 0.00 O ATOM 107 CB PHE A 9 -7.954 2.843 -4.445 1.00 0.00 C ATOM 108 CG PHE A 9 -6.755 3.729 -4.651 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.913 5.065 -4.987 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.473 3.229 -4.504 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.815 5.883 -5.171 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.369 4.042 -4.688 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.541 5.370 -5.022 1.00 0.00 C ATOM 0 H PHE A 9 -10.558 2.194 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.099 3.260 -2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.623 1.809 -4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.593 2.894 -5.327 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.907 5.471 -5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.333 2.191 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.952 6.922 -5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.374 3.638 -4.570 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.681 6.007 -5.167 1.00 0.00 H new ATOM 123 N GLU A 10 -9.159 5.489 -2.458 1.00 0.00 N ATOM 124 CA GLU A 10 -9.671 6.859 -2.508 1.00 0.00 C ATOM 125 C GLU A 10 -11.188 6.902 -2.346 1.00 0.00 C ATOM 126 O GLU A 10 -11.890 7.537 -3.134 1.00 0.00 O ATOM 127 CB GLU A 10 -9.263 7.543 -3.817 1.00 0.00 C ATOM 128 CG GLU A 10 -7.889 8.190 -3.762 1.00 0.00 C ATOM 129 CD GLU A 10 -7.602 9.054 -4.975 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.451 8.493 -6.080 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.530 10.290 -4.819 1.00 0.00 O ATOM 0 H GLU A 10 -8.609 5.282 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.228 7.400 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.277 6.808 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.004 8.303 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.814 8.799 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.128 7.413 -3.686 1.00 0.00 H new ATOM 138 N LYS A 11 -11.686 6.230 -1.312 1.00 0.00 N ATOM 139 CA LYS A 11 -13.120 6.195 -1.030 1.00 0.00 C ATOM 140 C LYS A 11 -13.892 5.383 -2.073 1.00 0.00 C ATOM 141 O LYS A 11 -15.098 5.179 -1.932 1.00 0.00 O ATOM 142 CB LYS A 11 -13.684 7.618 -0.953 1.00 0.00 C ATOM 143 CG LYS A 11 -14.067 8.043 0.455 1.00 0.00 C ATOM 144 CD LYS A 11 -14.235 9.550 0.555 1.00 0.00 C ATOM 145 CE LYS A 11 -13.822 10.066 1.924 1.00 0.00 C ATOM 146 NZ LYS A 11 -14.543 11.318 2.287 1.00 0.00 N ATOM 0 H LYS A 11 -11.116 5.700 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.247 5.702 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.944 8.315 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.561 7.688 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.996 7.552 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.301 7.714 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.635 10.036 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.275 9.815 0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.021 9.302 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.748 10.250 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.233 11.637 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.333 12.056 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.567 11.137 2.303 1.00 0.00 H new ATOM 160 N VAL A 12 -13.206 4.917 -3.114 1.00 0.00 N ATOM 161 CA VAL A 12 -13.849 4.133 -4.150 1.00 0.00 C ATOM 162 C VAL A 12 -13.559 2.660 -3.965 1.00 0.00 C ATOM 163 O VAL A 12 -12.466 2.272 -3.550 1.00 0.00 O ATOM 164 CB VAL A 12 -13.406 4.576 -5.556 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.698 3.503 -6.601 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.104 5.866 -5.911 1.00 0.00 C ATOM 0 H VAL A 12 -12.208 5.071 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.922 4.302 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.327 4.732 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.372 3.851 -7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.162 2.589 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.769 3.301 -6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.794 6.185 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.183 5.711 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.840 6.635 -5.185 1.00 0.00 H new ATOM 176 N SER A 13 -14.545 1.845 -4.280 1.00 0.00 N ATOM 177 CA SER A 13 -14.398 0.408 -4.150 1.00 0.00 C ATOM 178 C SER A 13 -14.078 -0.228 -5.493 1.00 0.00 C ATOM 179 O SER A 13 -14.902 -0.227 -6.407 1.00 0.00 O ATOM 180 CB SER A 13 -15.661 -0.218 -3.570 1.00 0.00 C ATOM 181 OG SER A 13 -16.348 0.695 -2.732 1.00 0.00 O ATOM 0 H SER A 13 -15.454 2.151 -4.627 1.00 0.00 H new ATOM 0 HA SER A 13 -13.569 0.222 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.317 -0.536 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.400 -1.111 -3.002 1.00 0.00 H new ATOM 0 HG SER A 13 -17.155 0.268 -2.375 1.00 0.00 H new ATOM 187 N GLY A 14 -12.878 -0.776 -5.599 1.00 0.00 N ATOM 188 CA GLY A 14 -12.461 -1.418 -6.826 1.00 0.00 C ATOM 189 C GLY A 14 -11.765 -2.732 -6.564 1.00 0.00 C ATOM 190 O GLY A 14 -11.794 -3.245 -5.445 1.00 0.00 O ATOM 0 H GLY A 14 -12.183 -0.787 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.331 -1.588 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.791 -0.755 -7.374 1.00 0.00 H new ATOM 194 N ILE A 15 -11.132 -3.280 -7.590 1.00 0.00 N ATOM 195 CA ILE A 15 -10.423 -4.537 -7.456 1.00 0.00 C ATOM 196 C ILE A 15 -8.925 -4.328 -7.482 1.00 0.00 C ATOM 197 O ILE A 15 -8.405 -3.619 -8.338 1.00 0.00 O ATOM 198 CB ILE A 15 -10.776 -5.526 -8.584 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.295 -5.609 -8.787 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.186 -6.903 -8.281 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.089 -5.796 -7.509 1.00 0.00 C ATOM 0 H ILE A 15 -11.097 -2.871 -8.524 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.733 -4.952 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.339 -5.161 -9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.634 -4.698 -9.281 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.514 -6.437 -9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.442 -7.593 -9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.102 -6.825 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.593 -7.274 -7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.152 -5.844 -7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.783 -6.722 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.904 -4.956 -6.839 1.00 0.00 H new ATOM 213 N ILE A 16 -8.231 -5.004 -6.584 1.00 0.00 N ATOM 214 CA ILE A 16 -6.788 -4.941 -6.553 1.00 0.00 C ATOM 215 C ILE A 16 -6.287 -6.199 -7.220 1.00 0.00 C ATOM 216 O ILE A 16 -6.875 -7.269 -7.050 1.00 0.00 O ATOM 217 CB ILE A 16 -6.208 -4.852 -5.114 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.701 -3.440 -4.819 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.079 -5.860 -4.919 1.00 0.00 C ATOM 220 CD1 ILE A 16 -4.959 -3.328 -3.502 1.00 0.00 C ATOM 0 H ILE A 16 -8.646 -5.601 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.463 -4.035 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.012 -5.089 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.041 -3.123 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.547 -2.753 -4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.689 -5.778 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.459 -6.868 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.280 -5.654 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.628 -2.300 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.622 -3.614 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.093 -3.990 -3.515 1.00 0.00 H new ATOM 232 N ALA A 17 -5.230 -6.087 -7.987 1.00 0.00 N ATOM 233 CA ALA A 17 -4.717 -7.251 -8.670 1.00 0.00 C ATOM 234 C ALA A 17 -3.223 -7.142 -8.907 1.00 0.00 C ATOM 235 O ALA A 17 -2.745 -6.243 -9.599 1.00 0.00 O ATOM 236 CB ALA A 17 -5.496 -7.475 -9.953 1.00 0.00 C ATOM 0 H ALA A 17 -4.717 -5.221 -8.153 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.857 -8.127 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.107 -8.354 -10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.549 -7.629 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.393 -6.603 -10.598 1.00 0.00 H new ATOM 242 N ILE A 18 -2.499 -8.066 -8.298 1.00 0.00 N ATOM 243 CA ILE A 18 -1.050 -8.103 -8.392 1.00 0.00 C ATOM 244 C ILE A 18 -0.587 -8.856 -9.632 1.00 0.00 C ATOM 245 O ILE A 18 -1.185 -9.857 -10.027 1.00 0.00 O ATOM 246 CB ILE A 18 -0.441 -8.751 -7.134 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.848 -7.964 -5.885 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.072 -8.827 -7.249 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.283 -8.841 -4.732 1.00 0.00 C ATOM 0 H ILE A 18 -2.898 -8.810 -7.726 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.704 -7.072 -8.470 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.826 -9.767 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.008 -7.347 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.662 -7.286 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.483 -9.288 -6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.341 -9.426 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.479 -7.822 -7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.557 -8.216 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.143 -9.439 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.464 -9.501 -4.448 1.00 0.00 H new ATOM 261 N ASN A 19 0.486 -8.363 -10.238 1.00 0.00 N ATOM 262 CA ASN A 19 1.043 -8.980 -11.433 1.00 0.00 C ATOM 263 C ASN A 19 2.477 -9.431 -11.185 1.00 0.00 C ATOM 264 O ASN A 19 3.412 -8.643 -11.289 1.00 0.00 O ATOM 265 CB ASN A 19 0.997 -8.002 -12.607 1.00 0.00 C ATOM 266 CG ASN A 19 0.625 -8.681 -13.911 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.458 -9.253 -14.038 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.522 -8.620 -14.887 1.00 0.00 N ATOM 0 H ASN A 19 0.989 -7.535 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 19 0.441 -9.855 -11.679 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.275 -7.214 -12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.970 -7.522 -12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.327 -9.058 -15.787 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.407 -8.135 -14.737 1.00 0.00 H new ATOM 275 N GLU A 20 2.639 -10.704 -10.853 1.00 0.00 N ATOM 276 CA GLU A 20 3.960 -11.267 -10.591 1.00 0.00 C ATOM 277 C GLU A 20 4.691 -11.595 -11.893 1.00 0.00 C ATOM 278 O GLU A 20 5.829 -12.063 -11.871 1.00 0.00 O ATOM 279 CB GLU A 20 3.832 -12.529 -9.735 1.00 0.00 C ATOM 280 CG GLU A 20 4.311 -12.348 -8.304 1.00 0.00 C ATOM 281 CD GLU A 20 4.891 -13.619 -7.718 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.059 -13.937 -8.026 1.00 0.00 O ATOM 283 OE2 GLU A 20 4.177 -14.299 -6.950 1.00 0.00 O ATOM 0 H GLU A 20 1.872 -11.369 -10.758 1.00 0.00 H new ATOM 0 HA GLU A 20 4.543 -10.520 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.789 -12.844 -9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.402 -13.333 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.065 -11.562 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.478 -12.014 -7.685 1.00 0.00 H new ATOM 290 N ASP A 21 4.037 -11.347 -13.025 1.00 0.00 N ATOM 291 CA ASP A 21 4.632 -11.619 -14.327 1.00 0.00 C ATOM 292 C ASP A 21 5.564 -10.490 -14.760 1.00 0.00 C ATOM 293 O ASP A 21 6.160 -10.547 -15.835 1.00 0.00 O ATOM 294 CB ASP A 21 3.537 -11.816 -15.376 1.00 0.00 C ATOM 295 CG ASP A 21 4.023 -12.598 -16.580 1.00 0.00 C ATOM 296 OD1 ASP A 21 4.512 -13.732 -16.395 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.915 -12.076 -17.710 1.00 0.00 O ATOM 0 H ASP A 21 3.095 -10.958 -13.065 1.00 0.00 H new ATOM 0 HA ASP A 21 5.221 -12.532 -14.240 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.694 -12.338 -14.923 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.171 -10.842 -15.702 1.00 0.00 H new ATOM 302 N VAL A 22 5.691 -9.464 -13.921 1.00 0.00 N ATOM 303 CA VAL A 22 6.558 -8.333 -14.235 1.00 0.00 C ATOM 304 C VAL A 22 7.883 -8.444 -13.487 1.00 0.00 C ATOM 305 O VAL A 22 8.244 -9.515 -12.999 1.00 0.00 O ATOM 306 CB VAL A 22 5.905 -6.966 -13.918 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.728 -6.147 -15.188 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.585 -7.151 -13.220 1.00 0.00 C ATOM 0 H VAL A 22 5.208 -9.393 -13.025 1.00 0.00 H new ATOM 0 HA VAL A 22 6.732 -8.375 -15.310 1.00 0.00 H new ATOM 0 HB VAL A 22 6.570 -6.421 -13.248 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.267 -5.190 -14.943 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.701 -5.974 -15.648 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.089 -6.689 -15.885 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.146 -6.176 -13.008 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.912 -7.721 -13.860 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.740 -7.690 -12.285 1.00 0.00 H new ATOM 318 N SER A 23 8.597 -7.332 -13.398 1.00 0.00 N ATOM 319 CA SER A 23 9.877 -7.296 -12.707 1.00 0.00 C ATOM 320 C SER A 23 10.431 -5.873 -12.688 1.00 0.00 C ATOM 321 O SER A 23 10.993 -5.408 -13.681 1.00 0.00 O ATOM 322 CB SER A 23 10.875 -8.237 -13.381 1.00 0.00 C ATOM 323 OG SER A 23 11.340 -7.696 -14.606 1.00 0.00 O ATOM 0 H SER A 23 8.310 -6.439 -13.798 1.00 0.00 H new ATOM 0 HA SER A 23 9.722 -7.627 -11.680 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.719 -8.414 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.403 -9.203 -13.562 1.00 0.00 H new ATOM 0 HG SER A 23 11.771 -6.832 -14.439 1.00 0.00 H new ATOM 329 N PRO A 24 10.276 -5.154 -11.561 1.00 0.00 N ATOM 330 CA PRO A 24 9.613 -5.666 -10.354 1.00 0.00 C ATOM 331 C PRO A 24 8.112 -5.867 -10.546 1.00 0.00 C ATOM 332 O PRO A 24 7.527 -5.373 -11.510 1.00 0.00 O ATOM 333 CB PRO A 24 9.867 -4.577 -9.300 1.00 0.00 C ATOM 334 CG PRO A 24 10.897 -3.671 -9.891 1.00 0.00 C ATOM 335 CD PRO A 24 10.747 -3.777 -11.380 1.00 0.00 C ATOM 0 HA PRO A 24 10.001 -6.646 -10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.951 -4.032 -9.072 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.219 -5.012 -8.365 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.749 -2.644 -9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.899 -3.966 -9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.032 -3.051 -11.767 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.691 -3.601 -11.895 1.00 0.00 H new ATOM 343 N ALA A 25 7.496 -6.593 -9.615 1.00 0.00 N ATOM 344 CA ALA A 25 6.061 -6.861 -9.672 1.00 0.00 C ATOM 345 C ALA A 25 5.263 -5.568 -9.722 1.00 0.00 C ATOM 346 O ALA A 25 5.828 -4.477 -9.664 1.00 0.00 O ATOM 347 CB ALA A 25 5.622 -7.676 -8.469 1.00 0.00 C ATOM 0 H ALA A 25 7.969 -7.006 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 25 5.869 -7.428 -10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.550 -7.865 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.158 -8.625 -8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.842 -7.124 -7.555 1.00 0.00 H new ATOM 353 N GLU A 26 3.944 -5.700 -9.817 1.00 0.00 N ATOM 354 CA GLU A 26 3.074 -4.533 -9.861 1.00 0.00 C ATOM 355 C GLU A 26 1.626 -4.906 -9.562 1.00 0.00 C ATOM 356 O GLU A 26 1.091 -5.861 -10.125 1.00 0.00 O ATOM 357 CB GLU A 26 3.152 -3.861 -11.235 1.00 0.00 C ATOM 358 CG GLU A 26 4.415 -3.045 -11.451 1.00 0.00 C ATOM 359 CD GLU A 26 4.187 -1.844 -12.348 1.00 0.00 C ATOM 360 OE1 GLU A 26 3.560 -0.868 -11.885 1.00 0.00 O ATOM 361 OE2 GLU A 26 4.635 -1.878 -13.513 1.00 0.00 O ATOM 0 H GLU A 26 3.458 -6.596 -9.865 1.00 0.00 H new ATOM 0 HA GLU A 26 3.418 -3.839 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.090 -4.628 -12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.286 -3.211 -11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.794 -2.707 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.183 -3.681 -11.890 1.00 0.00 H new ATOM 368 N LEU A 27 0.986 -4.127 -8.692 1.00 0.00 N ATOM 369 CA LEU A 27 -0.409 -4.361 -8.347 1.00 0.00 C ATOM 370 C LEU A 27 -1.272 -3.268 -8.974 1.00 0.00 C ATOM 371 O LEU A 27 -0.866 -2.108 -9.030 1.00 0.00 O ATOM 372 CB LEU A 27 -0.595 -4.434 -6.817 1.00 0.00 C ATOM 373 CG LEU A 27 -0.875 -3.112 -6.091 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.217 -2.516 -6.489 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.835 -3.333 -4.593 1.00 0.00 C ATOM 0 H LEU A 27 1.412 -3.332 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.726 -5.324 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.417 -5.118 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.304 -4.875 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.100 -2.403 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.374 -1.581 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.226 -2.323 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.014 -3.216 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.034 -2.392 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.592 -4.066 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.150 -3.701 -4.306 1.00 0.00 H new ATOM 387 N THR A 28 -2.444 -3.641 -9.475 1.00 0.00 N ATOM 388 CA THR A 28 -3.328 -2.679 -10.129 1.00 0.00 C ATOM 389 C THR A 28 -4.730 -2.676 -9.532 1.00 0.00 C ATOM 390 O THR A 28 -5.480 -3.642 -9.680 1.00 0.00 O ATOM 391 CB THR A 28 -3.413 -2.995 -11.622 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.125 -3.240 -12.157 1.00 0.00 O ATOM 393 CG2 THR A 28 -4.043 -1.885 -12.434 1.00 0.00 C ATOM 0 H THR A 28 -2.804 -4.595 -9.442 1.00 0.00 H new ATOM 0 HA THR A 28 -2.903 -1.688 -9.971 1.00 0.00 H new ATOM 0 HB THR A 28 -4.046 -3.880 -11.694 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.201 -3.442 -13.113 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.072 -2.174 -13.485 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.058 -1.705 -12.079 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.454 -0.975 -12.325 1.00 0.00 H new ATOM 401 N TRP A 29 -5.090 -1.573 -8.882 1.00 0.00 N ATOM 402 CA TRP A 29 -6.403 -1.430 -8.297 1.00 0.00 C ATOM 403 C TRP A 29 -7.340 -0.770 -9.300 1.00 0.00 C ATOM 404 O TRP A 29 -7.199 0.412 -9.603 1.00 0.00 O ATOM 405 CB TRP A 29 -6.331 -0.573 -7.035 1.00 0.00 C ATOM 406 CG TRP A 29 -7.680 -0.229 -6.492 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.400 -0.966 -5.613 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.476 0.920 -6.809 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.601 -0.349 -5.345 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.670 0.813 -6.069 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.296 2.029 -7.640 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.676 1.772 -6.137 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.297 2.980 -7.707 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.473 2.846 -6.960 1.00 0.00 C ATOM 0 H TRP A 29 -4.481 -0.765 -8.751 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.779 -2.419 -8.035 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.762 -1.104 -6.272 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.788 0.346 -7.256 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.078 -1.903 -5.184 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.321 -0.699 -4.712 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.391 2.141 -8.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.584 1.672 -5.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.169 3.841 -8.347 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.236 3.606 -7.035 1.00 0.00 H new ATOM 425 N ARG A 30 -8.295 -1.534 -9.807 1.00 0.00 N ATOM 426 CA ARG A 30 -9.253 -1.010 -10.774 1.00 0.00 C ATOM 427 C ARG A 30 -10.623 -0.836 -10.133 1.00 0.00 C ATOM 428 O ARG A 30 -11.127 -1.744 -9.482 1.00 0.00 O ATOM 429 CB ARG A 30 -9.356 -1.943 -11.982 1.00 0.00 C ATOM 430 CG ARG A 30 -10.027 -1.306 -13.188 1.00 0.00 C ATOM 431 CD ARG A 30 -10.817 -2.328 -13.990 1.00 0.00 C ATOM 432 NE ARG A 30 -11.556 -1.710 -15.089 1.00 0.00 N ATOM 433 CZ ARG A 30 -12.305 -2.388 -15.953 1.00 0.00 C ATOM 434 NH1 ARG A 30 -12.419 -3.707 -15.851 1.00 0.00 N ATOM 435 NH2 ARG A 30 -12.944 -1.748 -16.922 1.00 0.00 N ATOM 0 H ARG A 30 -8.429 -2.516 -9.567 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.899 -0.035 -11.110 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.355 -2.270 -12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.914 -2.835 -11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.692 -0.509 -12.857 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.272 -0.847 -13.826 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.136 -3.080 -14.389 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.514 -2.846 -13.331 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.493 -0.698 -15.200 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.931 -4.205 -15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.995 -4.222 -16.517 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.861 -0.735 -17.005 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.519 -2.269 -17.585 1.00 0.00 H new ATOM 449 N SER A 31 -11.228 0.332 -10.318 1.00 0.00 N ATOM 450 CA SER A 31 -12.543 0.602 -9.744 1.00 0.00 C ATOM 451 C SER A 31 -13.514 -0.530 -10.067 1.00 0.00 C ATOM 452 O SER A 31 -13.329 -1.258 -11.042 1.00 0.00 O ATOM 453 CB SER A 31 -13.093 1.927 -10.272 1.00 0.00 C ATOM 454 OG SER A 31 -14.445 2.108 -9.888 1.00 0.00 O ATOM 0 H SER A 31 -10.833 1.103 -10.857 1.00 0.00 H new ATOM 0 HA SER A 31 -12.434 0.670 -8.662 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.490 2.752 -9.892 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.014 1.950 -11.359 1.00 0.00 H new ATOM 0 HG SER A 31 -14.772 2.963 -10.237 1.00 0.00 H new ATOM 460 N THR A 32 -14.546 -0.674 -9.245 1.00 0.00 N ATOM 461 CA THR A 32 -15.541 -1.716 -9.450 1.00 0.00 C ATOM 462 C THR A 32 -16.434 -1.352 -10.623 1.00 0.00 C ATOM 463 O THR A 32 -16.882 -2.217 -11.377 1.00 0.00 O ATOM 464 CB THR A 32 -16.377 -1.908 -8.180 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.598 -2.491 -7.152 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.592 -2.785 -8.387 1.00 0.00 C ATOM 0 H THR A 32 -14.715 -0.082 -8.431 1.00 0.00 H new ATOM 0 HA THR A 32 -15.033 -2.654 -9.673 1.00 0.00 H new ATOM 0 HB THR A 32 -16.714 -0.909 -7.904 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.514 -1.860 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.138 -2.878 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.240 -2.337 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.275 -3.773 -8.722 1.00 0.00 H new ATOM 474 N ASP A 33 -16.678 -0.062 -10.766 1.00 0.00 N ATOM 475 CA ASP A 33 -17.508 0.446 -11.843 1.00 0.00 C ATOM 476 C ASP A 33 -16.682 0.704 -13.102 1.00 0.00 C ATOM 477 O ASP A 33 -17.228 0.843 -14.197 1.00 0.00 O ATOM 478 CB ASP A 33 -18.216 1.732 -11.411 1.00 0.00 C ATOM 479 CG ASP A 33 -19.489 1.458 -10.634 1.00 0.00 C ATOM 480 OD1 ASP A 33 -20.496 1.070 -11.262 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.479 1.633 -9.397 1.00 0.00 O ATOM 0 H ASP A 33 -16.310 0.658 -10.144 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.256 -0.313 -12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.540 2.327 -10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.453 2.327 -12.293 1.00 0.00 H new ATOM 486 N GLY A 34 -15.362 0.768 -12.940 1.00 0.00 N ATOM 487 CA GLY A 34 -14.487 1.010 -14.073 1.00 0.00 C ATOM 488 C GLY A 34 -14.286 2.488 -14.339 1.00 0.00 C ATOM 489 O GLY A 34 -14.147 2.905 -15.490 1.00 0.00 O ATOM 0 H GLY A 34 -14.885 0.657 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.520 0.541 -13.889 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.907 0.537 -14.961 1.00 0.00 H new ATOM 493 N ASP A 35 -14.276 3.282 -13.275 1.00 0.00 N ATOM 494 CA ASP A 35 -14.097 4.723 -13.398 1.00 0.00 C ATOM 495 C ASP A 35 -12.620 5.104 -13.394 1.00 0.00 C ATOM 496 O ASP A 35 -12.237 6.141 -13.936 1.00 0.00 O ATOM 497 CB ASP A 35 -14.825 5.448 -12.264 1.00 0.00 C ATOM 498 CG ASP A 35 -15.460 6.746 -12.721 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.216 6.720 -13.715 1.00 0.00 O ATOM 500 OD2 ASP A 35 -15.200 7.791 -12.086 1.00 0.00 O ATOM 0 H ASP A 35 -14.390 2.952 -12.317 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.524 5.029 -14.353 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.595 4.795 -11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.121 5.655 -11.458 1.00 0.00 H new ATOM 505 N LYS A 36 -11.796 4.266 -12.779 1.00 0.00 N ATOM 506 CA LYS A 36 -10.363 4.528 -12.708 1.00 0.00 C ATOM 507 C LYS A 36 -9.617 3.377 -12.052 1.00 0.00 C ATOM 508 O LYS A 36 -10.215 2.498 -11.432 1.00 0.00 O ATOM 509 CB LYS A 36 -10.099 5.825 -11.942 1.00 0.00 C ATOM 510 CG LYS A 36 -10.453 5.744 -10.463 1.00 0.00 C ATOM 511 CD LYS A 36 -11.637 6.634 -10.119 1.00 0.00 C ATOM 512 CE LYS A 36 -11.183 8.018 -9.681 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.480 8.744 -10.775 1.00 0.00 N ATOM 0 H LYS A 36 -12.092 3.403 -12.324 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.994 4.630 -13.729 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.046 6.087 -12.041 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.672 6.631 -12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.685 4.712 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.590 6.039 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.292 6.722 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.222 6.173 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.047 8.598 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.520 7.927 -8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.322 9.732 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.565 8.287 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.062 8.721 -11.637 1.00 0.00 H new ATOM 527 N VAL A 37 -8.304 3.389 -12.222 1.00 0.00 N ATOM 528 CA VAL A 37 -7.446 2.353 -11.684 1.00 0.00 C ATOM 529 C VAL A 37 -6.129 2.941 -11.183 1.00 0.00 C ATOM 530 O VAL A 37 -5.697 4.000 -11.638 1.00 0.00 O ATOM 531 CB VAL A 37 -7.171 1.285 -12.763 1.00 0.00 C ATOM 532 CG1 VAL A 37 -7.037 1.940 -14.132 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.934 0.450 -12.430 1.00 0.00 C ATOM 0 H VAL A 37 -7.807 4.117 -12.736 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.956 1.889 -10.840 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.021 0.603 -12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.843 1.175 -14.884 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.961 2.464 -14.377 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.211 2.651 -14.116 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.773 -0.291 -13.213 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.063 1.101 -12.363 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.083 -0.057 -11.476 1.00 0.00 H new ATOM 543 N HIS A 38 -5.496 2.243 -10.248 1.00 0.00 N ATOM 544 CA HIS A 38 -4.228 2.690 -9.687 1.00 0.00 C ATOM 545 C HIS A 38 -3.200 1.564 -9.713 1.00 0.00 C ATOM 546 O HIS A 38 -3.400 0.514 -9.104 1.00 0.00 O ATOM 547 CB HIS A 38 -4.426 3.183 -8.253 1.00 0.00 C ATOM 548 CG HIS A 38 -4.950 4.583 -8.168 1.00 0.00 C ATOM 549 ND1 HIS A 38 -4.131 5.687 -8.051 1.00 0.00 N ATOM 550 CD2 HIS A 38 -6.219 5.057 -8.185 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.874 6.779 -7.998 1.00 0.00 C ATOM 552 NE2 HIS A 38 -6.142 6.424 -8.078 1.00 0.00 N ATOM 0 H HIS A 38 -5.841 1.364 -9.862 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.857 3.513 -10.297 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.116 2.514 -7.740 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.475 3.127 -7.724 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.122 4.470 -8.267 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.506 7.790 -7.905 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.937 7.062 -8.063 1.00 0.00 H new ATOM 561 N THR A 39 -2.099 1.790 -10.423 1.00 0.00 N ATOM 562 CA THR A 39 -1.043 0.791 -10.527 1.00 0.00 C ATOM 563 C THR A 39 0.060 1.068 -9.510 1.00 0.00 C ATOM 564 O THR A 39 0.438 2.218 -9.288 1.00 0.00 O ATOM 565 CB THR A 39 -0.461 0.775 -11.941 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.342 1.404 -12.855 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.185 -0.622 -12.456 1.00 0.00 C ATOM 0 H THR A 39 -1.916 2.654 -10.933 1.00 0.00 H new ATOM 0 HA THR A 39 -1.476 -0.187 -10.314 1.00 0.00 H new ATOM 0 HB THR A 39 0.484 1.314 -11.871 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.950 1.385 -13.753 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.227 -0.564 -13.464 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.531 -1.117 -11.800 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.114 -1.193 -12.476 1.00 0.00 H new ATOM 575 N VAL A 40 0.562 0.008 -8.889 1.00 0.00 N ATOM 576 CA VAL A 40 1.612 0.138 -7.888 1.00 0.00 C ATOM 577 C VAL A 40 2.808 -0.745 -8.216 1.00 0.00 C ATOM 578 O VAL A 40 2.651 -1.885 -8.649 1.00 0.00 O ATOM 579 CB VAL A 40 1.083 -0.226 -6.478 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.891 -1.352 -5.839 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.081 0.989 -5.576 1.00 0.00 C ATOM 0 H VAL A 40 0.259 -0.951 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 40 1.931 1.180 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 40 0.059 -0.579 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.486 -1.575 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.833 -2.242 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.932 -1.044 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.706 0.710 -4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.096 1.374 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.439 1.759 -6.004 1.00 0.00 H new ATOM 591 N VAL A 41 4.000 -0.220 -7.969 1.00 0.00 N ATOM 592 CA VAL A 41 5.222 -0.971 -8.197 1.00 0.00 C ATOM 593 C VAL A 41 5.773 -1.448 -6.862 1.00 0.00 C ATOM 594 O VAL A 41 6.488 -0.714 -6.179 1.00 0.00 O ATOM 595 CB VAL A 41 6.287 -0.130 -8.925 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.512 -0.976 -9.246 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.708 0.483 -10.191 1.00 0.00 C ATOM 0 H VAL A 41 4.145 0.724 -7.610 1.00 0.00 H new ATOM 0 HA VAL A 41 4.981 -1.822 -8.835 1.00 0.00 H new ATOM 0 HB VAL A 41 6.597 0.679 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.253 -0.363 -9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.940 -1.363 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.222 -1.808 -9.887 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.474 1.074 -10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.368 -0.310 -10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.866 1.125 -9.932 1.00 0.00 H new ATOM 607 N LEU A 42 5.420 -2.677 -6.487 1.00 0.00 N ATOM 608 CA LEU A 42 5.857 -3.262 -5.220 1.00 0.00 C ATOM 609 C LEU A 42 7.329 -2.956 -4.929 1.00 0.00 C ATOM 610 O LEU A 42 7.746 -2.922 -3.770 1.00 0.00 O ATOM 611 CB LEU A 42 5.629 -4.777 -5.234 1.00 0.00 C ATOM 612 CG LEU A 42 4.171 -5.251 -5.110 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.755 -5.363 -3.658 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.210 -4.330 -5.832 1.00 0.00 C ATOM 0 H LEU A 42 4.828 -3.291 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 42 5.262 -2.811 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.040 -5.176 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.202 -5.216 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 42 4.126 -6.234 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.720 -5.700 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.399 -6.081 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.846 -4.389 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.192 -4.704 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.278 -3.328 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.466 -4.294 -6.891 1.00 0.00 H new ATOM 626 N SER A 43 8.108 -2.716 -5.981 1.00 0.00 N ATOM 627 CA SER A 43 9.521 -2.397 -5.830 1.00 0.00 C ATOM 628 C SER A 43 9.673 -0.972 -5.331 1.00 0.00 C ATOM 629 O SER A 43 10.379 -0.714 -4.356 1.00 0.00 O ATOM 630 CB SER A 43 10.260 -2.576 -7.158 1.00 0.00 C ATOM 631 OG SER A 43 11.296 -1.621 -7.309 1.00 0.00 O ATOM 0 H SER A 43 7.782 -2.737 -6.947 1.00 0.00 H new ATOM 0 HA SER A 43 9.959 -3.080 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.680 -3.581 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.554 -2.483 -7.984 1.00 0.00 H new ATOM 0 HG SER A 43 12.017 -2.004 -7.851 1.00 0.00 H new ATOM 637 N THR A 44 8.979 -0.048 -5.988 1.00 0.00 N ATOM 638 CA THR A 44 9.013 1.338 -5.590 1.00 0.00 C ATOM 639 C THR A 44 8.395 1.470 -4.208 1.00 0.00 C ATOM 640 O THR A 44 8.745 2.367 -3.440 1.00 0.00 O ATOM 641 CB THR A 44 8.250 2.188 -6.599 1.00 0.00 C ATOM 642 OG1 THR A 44 6.858 1.937 -6.519 1.00 0.00 O ATOM 643 CG2 THR A 44 8.683 1.952 -8.032 1.00 0.00 C ATOM 0 H THR A 44 8.389 -0.243 -6.797 1.00 0.00 H new ATOM 0 HA THR A 44 10.045 1.689 -5.558 1.00 0.00 H new ATOM 0 HB THR A 44 8.478 3.221 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.708 1.015 -6.223 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.100 2.588 -8.698 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.741 2.191 -8.136 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.519 0.907 -8.294 1.00 0.00 H new ATOM 651 N ILE A 45 7.484 0.549 -3.887 1.00 0.00 N ATOM 652 CA ILE A 45 6.835 0.546 -2.586 1.00 0.00 C ATOM 653 C ILE A 45 7.880 0.483 -1.470 1.00 0.00 C ATOM 654 O ILE A 45 8.463 -0.571 -1.215 1.00 0.00 O ATOM 655 CB ILE A 45 5.873 -0.651 -2.440 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.759 -0.578 -3.489 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.290 -0.701 -1.036 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.835 0.609 -3.321 1.00 0.00 C ATOM 0 H ILE A 45 7.184 -0.199 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 45 6.262 1.470 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 45 6.438 -1.568 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.209 -0.538 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.170 -1.494 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.614 -1.552 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.097 -0.806 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.741 0.219 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.074 0.591 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.355 0.561 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.410 1.532 -3.397 1.00 0.00 H new ATOM 670 N ASP A 46 8.112 1.614 -0.810 1.00 0.00 N ATOM 671 CA ASP A 46 9.087 1.686 0.276 1.00 0.00 C ATOM 672 C ASP A 46 8.900 0.539 1.266 1.00 0.00 C ATOM 673 O ASP A 46 9.862 0.061 1.867 1.00 0.00 O ATOM 674 CB ASP A 46 8.971 3.026 1.004 1.00 0.00 C ATOM 675 CG ASP A 46 10.036 3.201 2.068 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.207 3.437 1.703 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.699 3.102 3.267 1.00 0.00 O ATOM 0 H ASP A 46 7.638 2.495 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 46 10.081 1.599 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.048 3.837 0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.986 3.102 1.464 1.00 0.00 H new ATOM 682 N LYS A 47 7.656 0.099 1.428 1.00 0.00 N ATOM 683 CA LYS A 47 7.343 -0.993 2.341 1.00 0.00 C ATOM 684 C LYS A 47 5.886 -1.416 2.199 1.00 0.00 C ATOM 685 O LYS A 47 5.062 -0.677 1.658 1.00 0.00 O ATOM 686 CB LYS A 47 7.638 -0.584 3.787 1.00 0.00 C ATOM 687 CG LYS A 47 6.692 0.472 4.335 1.00 0.00 C ATOM 688 CD LYS A 47 7.041 0.845 5.767 1.00 0.00 C ATOM 689 CE LYS A 47 7.138 2.353 5.944 1.00 0.00 C ATOM 690 NZ LYS A 47 8.145 2.727 6.976 1.00 0.00 N ATOM 0 H LYS A 47 6.848 0.483 0.938 1.00 0.00 H new ATOM 0 HA LYS A 47 7.974 -1.843 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.586 -1.468 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.659 -0.208 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.734 1.361 3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.668 0.101 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.284 0.447 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.989 0.384 6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.404 2.814 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.163 2.749 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.181 3.762 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.878 2.308 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.081 2.372 6.693 1.00 0.00 H new ATOM 704 N LEU A 48 5.572 -2.609 2.687 1.00 0.00 N ATOM 705 CA LEU A 48 4.215 -3.136 2.612 1.00 0.00 C ATOM 706 C LEU A 48 3.564 -3.154 3.994 1.00 0.00 C ATOM 707 O LEU A 48 4.081 -3.772 4.924 1.00 0.00 O ATOM 708 CB LEU A 48 4.237 -4.549 2.029 1.00 0.00 C ATOM 709 CG LEU A 48 2.881 -5.250 1.973 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.121 -4.840 0.721 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.063 -6.759 2.021 1.00 0.00 C ATOM 0 H LEU A 48 6.241 -3.232 3.140 1.00 0.00 H new ATOM 0 HA LEU A 48 3.628 -2.487 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.646 -4.502 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.919 -5.159 2.621 1.00 0.00 H new ATOM 0 HG LEU A 48 2.297 -4.946 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.157 -5.349 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.962 -3.762 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.698 -5.115 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.088 -7.245 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.664 -7.080 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.568 -7.035 2.947 1.00 0.00 H new ATOM 723 N GLN A 49 2.427 -2.476 4.121 1.00 0.00 N ATOM 724 CA GLN A 49 1.706 -2.419 5.387 1.00 0.00 C ATOM 725 C GLN A 49 0.311 -3.004 5.234 1.00 0.00 C ATOM 726 O GLN A 49 -0.302 -2.887 4.179 1.00 0.00 O ATOM 727 CB GLN A 49 1.601 -0.974 5.875 1.00 0.00 C ATOM 728 CG GLN A 49 2.890 -0.182 5.725 1.00 0.00 C ATOM 729 CD GLN A 49 2.996 0.953 6.725 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.171 1.866 6.735 1.00 0.00 O ATOM 731 NE2 GLN A 49 4.016 0.899 7.574 1.00 0.00 N ATOM 0 H GLN A 49 1.985 -1.958 3.361 1.00 0.00 H new ATOM 0 HA GLN A 49 2.260 -3.006 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.809 -0.470 5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.306 -0.975 6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.741 -0.852 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.948 0.222 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.676 0.123 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.139 1.634 8.271 1.00 0.00 H new ATOM 740 N ALA A 50 -0.185 -3.644 6.285 1.00 0.00 N ATOM 741 CA ALA A 50 -1.506 -4.245 6.247 1.00 0.00 C ATOM 742 C ALA A 50 -2.076 -4.409 7.654 1.00 0.00 C ATOM 743 O ALA A 50 -1.359 -4.788 8.580 1.00 0.00 O ATOM 744 CB ALA A 50 -1.427 -5.579 5.537 1.00 0.00 C ATOM 0 H ALA A 50 0.308 -3.759 7.171 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.180 -3.587 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.417 -6.034 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.065 -5.429 4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.742 -6.236 6.073 1.00 0.00 H new ATOM 750 N THR A 51 -3.367 -4.122 7.814 1.00 0.00 N ATOM 751 CA THR A 51 -4.013 -4.242 9.116 1.00 0.00 C ATOM 752 C THR A 51 -3.933 -5.678 9.634 1.00 0.00 C ATOM 753 O THR A 51 -4.040 -6.630 8.862 1.00 0.00 O ATOM 754 CB THR A 51 -5.472 -3.794 9.030 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.146 -4.477 7.989 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.626 -2.308 8.783 1.00 0.00 C ATOM 0 H THR A 51 -3.981 -3.807 7.063 1.00 0.00 H new ATOM 0 HA THR A 51 -3.486 -3.594 9.817 1.00 0.00 H new ATOM 0 HB THR A 51 -5.906 -4.031 10.001 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.110 -4.313 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.685 -2.055 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.159 -1.754 9.597 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.145 -2.044 7.841 1.00 0.00 H new ATOM 764 N PRO A 52 -3.736 -5.852 10.954 1.00 0.00 N ATOM 765 CA PRO A 52 -3.635 -7.181 11.570 1.00 0.00 C ATOM 766 C PRO A 52 -4.975 -7.906 11.619 1.00 0.00 C ATOM 767 O PRO A 52 -6.033 -7.294 11.467 1.00 0.00 O ATOM 768 CB PRO A 52 -3.141 -6.878 12.985 1.00 0.00 C ATOM 769 CG PRO A 52 -3.623 -5.497 13.265 1.00 0.00 C ATOM 770 CD PRO A 52 -3.591 -4.770 11.948 1.00 0.00 C ATOM 0 HA PRO A 52 -2.978 -7.841 11.004 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.541 -7.591 13.706 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.054 -6.939 13.047 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.632 -5.512 13.678 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.986 -5.003 13.999 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.400 -4.043 11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.657 -4.224 11.814 1.00 0.00 H new ATOM 778 N ALA A 53 -4.922 -9.217 11.834 1.00 0.00 N ATOM 779 CA ALA A 53 -6.130 -10.032 11.907 1.00 0.00 C ATOM 780 C ALA A 53 -6.981 -9.653 13.114 1.00 0.00 C ATOM 781 O ALA A 53 -8.195 -9.857 13.117 1.00 0.00 O ATOM 782 CB ALA A 53 -5.765 -11.510 11.957 1.00 0.00 C ATOM 0 H ALA A 53 -4.054 -9.738 11.961 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.720 -9.843 11.010 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.675 -12.108 12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.208 -11.778 11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.151 -11.704 12.836 1.00 0.00 H new ATOM 788 N SER A 54 -6.340 -9.098 14.139 1.00 0.00 N ATOM 789 CA SER A 54 -7.044 -8.689 15.348 1.00 0.00 C ATOM 790 C SER A 54 -7.921 -7.470 15.085 1.00 0.00 C ATOM 791 O SER A 54 -8.838 -7.175 15.852 1.00 0.00 O ATOM 792 CB SER A 54 -6.045 -8.382 16.466 1.00 0.00 C ATOM 793 OG SER A 54 -5.036 -7.493 16.019 1.00 0.00 O ATOM 0 H SER A 54 -5.335 -8.922 14.155 1.00 0.00 H new ATOM 0 HA SER A 54 -7.686 -9.513 15.659 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.569 -7.945 17.316 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.589 -9.309 16.815 1.00 0.00 H new ATOM 0 HG SER A 54 -4.412 -7.312 16.752 1.00 0.00 H new ATOM 799 N SER A 55 -7.639 -6.765 13.994 1.00 0.00 N ATOM 800 CA SER A 55 -8.404 -5.582 13.627 1.00 0.00 C ATOM 801 C SER A 55 -9.372 -5.895 12.495 1.00 0.00 C ATOM 802 O SER A 55 -8.957 -6.176 11.370 1.00 0.00 O ATOM 803 CB SER A 55 -7.463 -4.449 13.210 1.00 0.00 C ATOM 804 OG SER A 55 -6.666 -4.021 14.301 1.00 0.00 O ATOM 0 H SER A 55 -6.884 -6.995 13.348 1.00 0.00 H new ATOM 0 HA SER A 55 -8.978 -5.265 14.498 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.821 -4.786 12.396 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.045 -3.610 12.829 1.00 0.00 H new ATOM 0 HG SER A 55 -6.072 -3.298 14.009 1.00 0.00 H new ATOM 810 N GLU A 56 -10.664 -5.840 12.797 1.00 0.00 N ATOM 811 CA GLU A 56 -11.693 -6.111 11.801 1.00 0.00 C ATOM 812 C GLU A 56 -11.548 -5.178 10.601 1.00 0.00 C ATOM 813 O GLU A 56 -12.087 -5.446 9.527 1.00 0.00 O ATOM 814 CB GLU A 56 -13.084 -5.956 12.417 1.00 0.00 C ATOM 815 CG GLU A 56 -13.404 -7.007 13.469 1.00 0.00 C ATOM 816 CD GLU A 56 -14.663 -6.685 14.250 1.00 0.00 C ATOM 817 OE1 GLU A 56 -14.638 -5.725 15.049 1.00 0.00 O ATOM 818 OE2 GLU A 56 -15.675 -7.392 14.063 1.00 0.00 O ATOM 0 H GLU A 56 -11.024 -5.610 13.723 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.569 -7.138 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.165 -4.967 12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.831 -6.008 11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.519 -7.977 12.985 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.565 -7.093 14.159 1.00 0.00 H new ATOM 825 N LYS A 57 -10.816 -4.084 10.790 1.00 0.00 N ATOM 826 CA LYS A 57 -10.600 -3.116 9.722 1.00 0.00 C ATOM 827 C LYS A 57 -9.655 -3.676 8.663 1.00 0.00 C ATOM 828 O LYS A 57 -8.505 -3.255 8.557 1.00 0.00 O ATOM 829 CB LYS A 57 -10.033 -1.813 10.291 1.00 0.00 C ATOM 830 CG LYS A 57 -10.779 -1.306 11.514 1.00 0.00 C ATOM 831 CD LYS A 57 -12.227 -0.983 11.190 1.00 0.00 C ATOM 832 CE LYS A 57 -12.340 0.260 10.321 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.725 0.458 9.810 1.00 0.00 N ATOM 0 H LYS A 57 -10.363 -3.847 11.673 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.562 -2.910 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.986 -1.966 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.059 -1.047 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.741 -2.058 12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.284 -0.415 11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.684 -1.829 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.783 -0.833 12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.038 1.134 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.651 0.179 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.759 1.315 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.005 -0.365 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.379 0.562 10.612 1.00 0.00 H new ATOM 847 N MET A 58 -10.150 -4.627 7.877 1.00 0.00 N ATOM 848 CA MET A 58 -9.350 -5.244 6.824 1.00 0.00 C ATOM 849 C MET A 58 -8.848 -4.192 5.840 1.00 0.00 C ATOM 850 O MET A 58 -9.619 -3.661 5.041 1.00 0.00 O ATOM 851 CB MET A 58 -10.174 -6.299 6.086 1.00 0.00 C ATOM 852 CG MET A 58 -10.008 -7.700 6.647 1.00 0.00 C ATOM 853 SD MET A 58 -10.424 -7.799 8.399 1.00 0.00 S ATOM 854 CE MET A 58 -11.821 -8.918 8.349 1.00 0.00 C ATOM 0 H MET A 58 -11.101 -4.987 7.949 1.00 0.00 H new ATOM 0 HA MET A 58 -8.488 -5.724 7.286 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.227 -6.021 6.129 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.888 -6.301 5.034 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.641 -8.389 6.088 1.00 0.00 H new ATOM 0 HG3 MET A 58 -8.978 -8.025 6.503 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.700 -8.420 8.758 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.016 -9.210 7.317 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.598 -9.805 8.942 1.00 0.00 H new ATOM 864 N MET A 59 -7.556 -3.886 5.908 1.00 0.00 N ATOM 865 CA MET A 59 -6.968 -2.887 5.025 1.00 0.00 C ATOM 866 C MET A 59 -5.502 -3.182 4.724 1.00 0.00 C ATOM 867 O MET A 59 -4.731 -3.541 5.613 1.00 0.00 O ATOM 868 CB MET A 59 -7.078 -1.501 5.657 1.00 0.00 C ATOM 869 CG MET A 59 -8.511 -1.050 5.893 1.00 0.00 C ATOM 870 SD MET A 59 -8.695 0.742 5.810 1.00 0.00 S ATOM 871 CE MET A 59 -8.308 1.201 7.497 1.00 0.00 C ATOM 0 H MET A 59 -6.900 -4.313 6.562 1.00 0.00 H new ATOM 0 HA MET A 59 -7.522 -2.920 4.087 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.545 -1.501 6.608 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.580 -0.777 5.013 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.161 -1.513 5.151 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.842 -1.401 6.870 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.135 1.772 7.918 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.149 0.301 8.092 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.403 1.809 7.510 1.00 0.00 H new ATOM 881 N LEU A 60 -5.123 -2.993 3.465 1.00 0.00 N ATOM 882 CA LEU A 60 -3.741 -3.199 3.036 1.00 0.00 C ATOM 883 C LEU A 60 -3.163 -1.887 2.515 1.00 0.00 C ATOM 884 O LEU A 60 -3.880 -1.081 1.924 1.00 0.00 O ATOM 885 CB LEU A 60 -3.653 -4.273 1.947 1.00 0.00 C ATOM 886 CG LEU A 60 -4.147 -5.671 2.335 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.717 -6.680 1.288 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.616 -6.094 3.695 1.00 0.00 C ATOM 0 H LEU A 60 -5.754 -2.697 2.720 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.164 -3.539 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.226 -3.934 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.614 -4.353 1.628 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.235 -5.635 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.072 -7.671 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.140 -6.405 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.629 -6.690 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.987 -7.090 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.526 -6.108 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.953 -5.387 4.453 1.00 0.00 H new ATOM 900 N ARG A 61 -1.873 -1.660 2.751 1.00 0.00 N ATOM 901 CA ARG A 61 -1.235 -0.424 2.311 1.00 0.00 C ATOM 902 C ARG A 61 0.199 -0.652 1.845 1.00 0.00 C ATOM 903 O ARG A 61 0.909 -1.501 2.376 1.00 0.00 O ATOM 904 CB ARG A 61 -1.236 0.590 3.454 1.00 0.00 C ATOM 905 CG ARG A 61 -1.176 2.036 2.992 1.00 0.00 C ATOM 906 CD ARG A 61 -0.342 2.887 3.935 1.00 0.00 C ATOM 907 NE ARG A 61 -0.913 2.932 5.280 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.915 3.733 5.633 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.463 4.554 4.747 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.374 3.711 6.878 1.00 0.00 N ATOM 0 H ARG A 61 -1.255 -2.309 3.239 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.807 -0.045 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.135 0.447 4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.384 0.391 4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.753 2.081 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.186 2.442 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.671 2.488 3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.266 3.900 3.539 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.520 2.313 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.117 4.574 3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.231 5.165 5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.959 3.080 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.142 4.325 7.149 1.00 0.00 H new ATOM 924 N LEU A 62 0.622 0.141 0.864 1.00 0.00 N ATOM 925 CA LEU A 62 1.981 0.063 0.337 1.00 0.00 C ATOM 926 C LEU A 62 2.613 1.452 0.339 1.00 0.00 C ATOM 927 O LEU A 62 2.156 2.348 -0.369 1.00 0.00 O ATOM 928 CB LEU A 62 1.989 -0.507 -1.084 1.00 0.00 C ATOM 929 CG LEU A 62 1.392 -1.906 -1.232 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.100 -1.839 -2.019 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.380 -2.856 -1.907 1.00 0.00 C ATOM 0 H LEU A 62 0.039 0.848 0.416 1.00 0.00 H new ATOM 0 HA LEU A 62 2.559 -0.605 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.440 0.175 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.018 -0.530 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 62 1.180 -2.295 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.318 -2.841 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.612 -1.200 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.298 -1.428 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.929 -3.844 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.630 -2.477 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.287 -2.926 -1.306 1.00 0.00 H new ATOM 943 N ILE A 63 3.657 1.634 1.138 1.00 0.00 N ATOM 944 CA ILE A 63 4.327 2.928 1.217 1.00 0.00 C ATOM 945 C ILE A 63 5.218 3.156 0.005 1.00 0.00 C ATOM 946 O ILE A 63 5.650 2.205 -0.642 1.00 0.00 O ATOM 947 CB ILE A 63 5.180 3.063 2.496 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.476 2.416 3.690 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.470 4.529 2.780 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.087 2.959 3.939 1.00 0.00 C ATOM 0 H ILE A 63 4.056 0.910 1.736 1.00 0.00 H new ATOM 0 HA ILE A 63 3.539 3.681 1.242 1.00 0.00 H new ATOM 0 HB ILE A 63 6.124 2.542 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.413 1.340 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.082 2.566 4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.072 4.612 3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.014 4.961 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.531 5.065 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.648 2.455 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.145 4.030 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.465 2.785 3.061 1.00 0.00 H new ATOM 962 N GLY A 64 5.486 4.421 -0.300 1.00 0.00 N ATOM 963 CA GLY A 64 6.323 4.748 -1.441 1.00 0.00 C ATOM 964 C GLY A 64 7.591 5.477 -1.042 1.00 0.00 C ATOM 965 O GLY A 64 7.606 6.215 -0.056 1.00 0.00 O ATOM 0 H GLY A 64 5.139 5.226 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.586 3.831 -1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.757 5.366 -2.138 1.00 0.00 H new ATOM 969 N LYS A 65 8.657 5.272 -1.808 1.00 0.00 N ATOM 970 CA LYS A 65 9.934 5.917 -1.529 1.00 0.00 C ATOM 971 C LYS A 65 9.794 7.434 -1.572 1.00 0.00 C ATOM 972 O LYS A 65 9.487 8.011 -2.616 1.00 0.00 O ATOM 973 CB LYS A 65 10.993 5.462 -2.535 1.00 0.00 C ATOM 974 CG LYS A 65 11.356 3.991 -2.414 1.00 0.00 C ATOM 975 CD LYS A 65 12.236 3.538 -3.567 1.00 0.00 C ATOM 976 CE LYS A 65 12.639 2.080 -3.419 1.00 0.00 C ATOM 977 NZ LYS A 65 13.933 1.790 -4.099 1.00 0.00 N ATOM 0 H LYS A 65 8.662 4.664 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 65 10.249 5.625 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.630 5.656 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.893 6.062 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.874 3.819 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.446 3.391 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.704 3.676 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.129 4.161 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.721 1.832 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.859 1.443 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.173 0.786 -3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.847 2.003 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.683 2.379 -3.684 1.00 0.00 H new ATOM 991 N VAL A 66 10.017 8.076 -0.430 1.00 0.00 N ATOM 992 CA VAL A 66 9.910 9.525 -0.335 1.00 0.00 C ATOM 993 C VAL A 66 11.278 10.191 -0.419 1.00 0.00 C ATOM 994 O VAL A 66 12.306 9.564 -0.164 1.00 0.00 O ATOM 995 CB VAL A 66 9.231 9.951 0.982 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.074 9.538 2.178 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.976 11.453 0.998 1.00 0.00 C ATOM 0 H VAL A 66 10.273 7.614 0.443 1.00 0.00 H new ATOM 0 HA VAL A 66 9.300 9.849 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 66 8.269 9.442 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.577 9.848 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.198 8.455 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.052 10.015 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.496 11.731 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.923 11.984 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.326 11.721 0.165 1.00 0.00 H new ATOM 1007 N ASP A 67 11.275 11.472 -0.762 1.00 0.00 N ATOM 1008 CA ASP A 67 12.504 12.243 -0.863 1.00 0.00 C ATOM 1009 C ASP A 67 12.580 13.246 0.281 1.00 0.00 C ATOM 1010 O ASP A 67 12.684 14.453 0.063 1.00 0.00 O ATOM 1011 CB ASP A 67 12.572 12.968 -2.209 1.00 0.00 C ATOM 1012 CG ASP A 67 13.976 12.997 -2.781 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.458 11.934 -3.226 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.594 14.084 -2.784 1.00 0.00 O ATOM 0 H ASP A 67 10.429 12.001 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 67 13.353 11.562 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.904 12.477 -2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.211 13.989 -2.087 1.00 0.00 H new ATOM 1019 N GLU A 68 12.513 12.732 1.506 1.00 0.00 N ATOM 1020 CA GLU A 68 12.559 13.573 2.695 1.00 0.00 C ATOM 1021 C GLU A 68 13.995 13.815 3.156 1.00 0.00 C ATOM 1022 O GLU A 68 14.260 13.931 4.352 1.00 0.00 O ATOM 1023 CB GLU A 68 11.755 12.930 3.827 1.00 0.00 C ATOM 1024 CG GLU A 68 12.323 11.601 4.296 1.00 0.00 C ATOM 1025 CD GLU A 68 11.522 10.995 5.433 1.00 0.00 C ATOM 1026 OE1 GLU A 68 11.298 11.697 6.441 1.00 0.00 O ATOM 1027 OE2 GLU A 68 11.121 9.818 5.314 1.00 0.00 O ATOM 0 H GLU A 68 12.426 11.734 1.700 1.00 0.00 H new ATOM 0 HA GLU A 68 12.119 14.536 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.718 13.618 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.729 12.779 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.345 10.903 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.354 11.744 4.618 1.00 0.00 H new ATOM 1034 N SER A 69 14.920 13.894 2.203 1.00 0.00 N ATOM 1035 CA SER A 69 16.324 14.126 2.521 1.00 0.00 C ATOM 1036 C SER A 69 16.597 15.610 2.748 1.00 0.00 C ATOM 1037 O SER A 69 17.601 15.980 3.355 1.00 0.00 O ATOM 1038 CB SER A 69 17.218 13.597 1.397 1.00 0.00 C ATOM 1039 OG SER A 69 16.887 14.199 0.157 1.00 0.00 O ATOM 0 H SER A 69 14.722 13.801 1.207 1.00 0.00 H new ATOM 0 HA SER A 69 16.553 13.590 3.442 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.263 13.797 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.110 12.515 1.320 1.00 0.00 H new ATOM 0 HG SER A 69 17.473 13.846 -0.545 1.00 0.00 H new ATOM 1045 N LYS A 70 15.696 16.456 2.257 1.00 0.00 N ATOM 1046 CA LYS A 70 15.842 17.899 2.408 1.00 0.00 C ATOM 1047 C LYS A 70 15.402 18.347 3.799 1.00 0.00 C ATOM 1048 O LYS A 70 16.233 18.603 4.670 1.00 0.00 O ATOM 1049 CB LYS A 70 15.025 18.629 1.339 1.00 0.00 C ATOM 1050 CG LYS A 70 15.588 18.477 -0.065 1.00 0.00 C ATOM 1051 CD LYS A 70 16.481 19.650 -0.437 1.00 0.00 C ATOM 1052 CE LYS A 70 16.494 19.886 -1.938 1.00 0.00 C ATOM 1053 NZ LYS A 70 15.132 20.168 -2.469 1.00 0.00 N ATOM 0 H LYS A 70 14.858 16.167 1.752 1.00 0.00 H new ATOM 0 HA LYS A 70 16.895 18.149 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.002 18.252 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.978 19.689 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.157 17.550 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.769 18.401 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.132 20.549 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.496 19.461 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.153 20.723 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.905 19.010 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.205 20.790 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.675 19.275 -2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.563 20.636 -1.735 1.00 0.00 H new ATOM 1067 N LYS A 71 14.091 18.443 4.000 1.00 0.00 N ATOM 1068 CA LYS A 71 13.544 18.862 5.286 1.00 0.00 C ATOM 1069 C LYS A 71 14.053 20.249 5.664 1.00 0.00 C ATOM 1070 O LYS A 71 15.108 20.386 6.285 1.00 0.00 O ATOM 1071 CB LYS A 71 13.918 17.856 6.376 1.00 0.00 C ATOM 1072 CG LYS A 71 13.645 16.410 5.991 1.00 0.00 C ATOM 1073 CD LYS A 71 14.683 15.471 6.585 1.00 0.00 C ATOM 1074 CE LYS A 71 14.050 14.180 7.077 1.00 0.00 C ATOM 1075 NZ LYS A 71 15.051 13.086 7.211 1.00 0.00 N ATOM 0 H LYS A 71 13.389 18.237 3.290 1.00 0.00 H new ATOM 0 HA LYS A 71 12.458 18.902 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.976 17.966 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.362 18.093 7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.652 16.122 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.646 16.315 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.440 15.243 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.192 15.966 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.572 14.355 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.267 13.873 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.579 12.223 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.489 12.901 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.785 13.368 7.892 1.00 0.00 H new ATOM 1089 N ARG A 72 13.299 21.276 5.286 1.00 0.00 N ATOM 1090 CA ARG A 72 13.679 22.653 5.585 1.00 0.00 C ATOM 1091 C ARG A 72 12.458 23.567 5.620 1.00 0.00 C ATOM 1092 O ARG A 72 11.327 23.116 5.441 1.00 0.00 O ATOM 1093 CB ARG A 72 14.691 23.167 4.556 1.00 0.00 C ATOM 1094 CG ARG A 72 14.427 22.684 3.139 1.00 0.00 C ATOM 1095 CD ARG A 72 12.991 22.948 2.721 1.00 0.00 C ATOM 1096 NE ARG A 72 12.702 22.426 1.388 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.053 23.038 0.259 1.00 0.00 C ATOM 1098 NH1 ARG A 72 13.706 24.193 0.299 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.751 22.495 -0.911 1.00 0.00 N ATOM 0 H ARG A 72 12.423 21.182 4.773 1.00 0.00 H new ATOM 0 HA ARG A 72 14.142 22.663 6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.683 24.257 4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.691 22.853 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.106 23.186 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.636 21.616 3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.314 22.492 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.800 24.021 2.739 1.00 0.00 H new ATOM 0 HE ARG A 72 12.202 21.540 1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.941 24.615 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.973 24.658 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.249 21.608 -0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.020 22.964 -1.776 1.00 0.00 H new ATOM 1113 N LYS A 73 12.697 24.855 5.851 1.00 0.00 N ATOM 1114 CA LYS A 73 11.617 25.835 5.911 1.00 0.00 C ATOM 1115 C LYS A 73 11.219 26.288 4.509 1.00 0.00 C ATOM 1116 O LYS A 73 11.774 25.821 3.515 1.00 0.00 O ATOM 1117 CB LYS A 73 12.032 27.048 6.751 1.00 0.00 C ATOM 1118 CG LYS A 73 12.993 26.718 7.885 1.00 0.00 C ATOM 1119 CD LYS A 73 12.455 25.605 8.771 1.00 0.00 C ATOM 1120 CE LYS A 73 13.553 24.994 9.626 1.00 0.00 C ATOM 1121 NZ LYS A 73 13.071 24.666 10.996 1.00 0.00 N ATOM 0 H LYS A 73 13.628 25.244 6.000 1.00 0.00 H new ATOM 0 HA LYS A 73 10.758 25.358 6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.497 27.787 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.138 27.510 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.956 26.420 7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.167 27.610 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.668 25.999 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.002 24.831 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.926 24.089 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.391 25.688 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.849 24.252 11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.738 25.533 11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.288 23.984 10.935 1.00 0.00 H new ATOM 1135 N ASP A 74 10.255 27.201 4.438 1.00 0.00 N ATOM 1136 CA ASP A 74 9.785 27.715 3.155 1.00 0.00 C ATOM 1137 C ASP A 74 10.135 29.188 2.995 1.00 0.00 C ATOM 1138 O ASP A 74 10.478 29.644 1.904 1.00 0.00 O ATOM 1139 CB ASP A 74 8.274 27.520 3.024 1.00 0.00 C ATOM 1140 CG ASP A 74 7.848 27.247 1.595 1.00 0.00 C ATOM 1141 OD1 ASP A 74 8.176 26.160 1.073 1.00 0.00 O ATOM 1142 OD2 ASP A 74 7.186 28.121 0.996 1.00 0.00 O ATOM 0 H ASP A 74 9.785 27.599 5.251 1.00 0.00 H new ATOM 0 HA ASP A 74 10.286 27.155 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.961 26.691 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.763 28.411 3.389 1.00 0.00 H new ATOM 1147 N ASN A 75 10.048 29.924 4.094 1.00 0.00 N ATOM 1148 CA ASN A 75 10.356 31.353 4.097 1.00 0.00 C ATOM 1149 C ASN A 75 9.917 32.004 5.403 1.00 0.00 C ATOM 1150 O ASN A 75 10.540 32.953 5.879 1.00 0.00 O ATOM 1151 CB ASN A 75 9.681 32.054 2.912 1.00 0.00 C ATOM 1152 CG ASN A 75 10.682 32.543 1.883 1.00 0.00 C ATOM 1153 OD1 ASN A 75 10.931 31.878 0.878 1.00 0.00 O ATOM 1154 ND2 ASN A 75 11.263 33.711 2.131 1.00 0.00 N ATOM 0 H ASN A 75 9.765 29.555 5.002 1.00 0.00 H new ATOM 0 HA ASN A 75 11.437 31.460 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.982 31.366 2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.098 32.899 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.946 34.090 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.026 34.229 2.977 1.00 0.00 H new ATOM 1161 N GLU A 76 8.841 31.485 5.974 1.00 0.00 N ATOM 1162 CA GLU A 76 8.308 32.009 7.227 1.00 0.00 C ATOM 1163 C GLU A 76 8.621 31.070 8.387 1.00 0.00 C ATOM 1164 O GLU A 76 7.796 30.872 9.279 1.00 0.00 O ATOM 1165 CB GLU A 76 6.797 32.213 7.115 1.00 0.00 C ATOM 1166 CG GLU A 76 6.253 33.268 8.064 1.00 0.00 C ATOM 1167 CD GLU A 76 5.687 32.670 9.337 1.00 0.00 C ATOM 1168 OE1 GLU A 76 4.723 31.881 9.245 1.00 0.00 O ATOM 1169 OE2 GLU A 76 6.207 32.991 10.427 1.00 0.00 O ATOM 0 H GLU A 76 8.317 30.699 5.590 1.00 0.00 H new ATOM 0 HA GLU A 76 8.785 32.969 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.552 32.496 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.295 31.266 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.049 33.968 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.475 33.840 7.558 1.00 0.00 H new ATOM 1176 N GLY A 77 9.817 30.492 8.368 1.00 0.00 N ATOM 1177 CA GLY A 77 10.216 29.579 9.422 1.00 0.00 C ATOM 1178 C GLY A 77 9.347 28.337 9.479 1.00 0.00 C ATOM 1179 O GLY A 77 9.352 27.616 10.477 1.00 0.00 O ATOM 0 H GLY A 77 10.517 30.640 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.254 29.285 9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.169 30.095 10.381 1.00 0.00 H new ATOM 1183 N ASN A 78 8.600 28.084 8.409 1.00 0.00 N ATOM 1184 CA ASN A 78 7.726 26.919 8.345 1.00 0.00 C ATOM 1185 C ASN A 78 8.541 25.641 8.170 1.00 0.00 C ATOM 1186 O ASN A 78 9.758 25.642 8.352 1.00 0.00 O ATOM 1187 CB ASN A 78 6.727 27.066 7.194 1.00 0.00 C ATOM 1188 CG ASN A 78 6.067 28.431 7.172 1.00 0.00 C ATOM 1189 OD1 ASN A 78 5.549 28.900 8.186 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.081 29.077 6.012 1.00 0.00 N ATOM 0 H ASN A 78 8.583 28.670 7.575 1.00 0.00 H new ATOM 0 HA ASN A 78 7.177 26.853 9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.241 26.898 6.247 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.960 26.296 7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.651 29.999 5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.521 28.651 5.196 1.00 0.00 H new ATOM 1197 N GLU A 79 7.864 24.554 7.816 1.00 0.00 N ATOM 1198 CA GLU A 79 8.530 23.272 7.618 1.00 0.00 C ATOM 1199 C GLU A 79 7.966 22.549 6.399 1.00 0.00 C ATOM 1200 O GLU A 79 6.841 22.052 6.426 1.00 0.00 O ATOM 1201 CB GLU A 79 8.377 22.395 8.861 1.00 0.00 C ATOM 1202 CG GLU A 79 9.315 21.199 8.881 1.00 0.00 C ATOM 1203 CD GLU A 79 9.910 20.948 10.253 1.00 0.00 C ATOM 1204 OE1 GLU A 79 9.146 20.944 11.241 1.00 0.00 O ATOM 1205 OE2 GLU A 79 11.142 20.757 10.340 1.00 0.00 O ATOM 0 H GLU A 79 6.856 24.535 7.661 1.00 0.00 H new ATOM 0 HA GLU A 79 9.589 23.465 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.557 23.002 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.348 22.040 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.773 20.311 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.120 21.361 8.164 1.00 0.00 H new ATOM 1212 N VAL A 80 8.756 22.494 5.331 1.00 0.00 N ATOM 1213 CA VAL A 80 8.333 21.831 4.104 1.00 0.00 C ATOM 1214 C VAL A 80 8.450 20.317 4.225 1.00 0.00 C ATOM 1215 O VAL A 80 7.446 19.607 4.208 1.00 0.00 O ATOM 1216 CB VAL A 80 9.155 22.299 2.899 1.00 0.00 C ATOM 1217 CG1 VAL A 80 8.685 21.613 1.623 1.00 0.00 C ATOM 1218 CG2 VAL A 80 9.088 23.812 2.760 1.00 0.00 C ATOM 0 H VAL A 80 9.691 22.900 5.291 1.00 0.00 H new ATOM 0 HA VAL A 80 7.288 22.101 3.948 1.00 0.00 H new ATOM 0 HB VAL A 80 10.195 22.019 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.283 21.961 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.798 20.534 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.636 21.852 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.678 24.125 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.051 24.119 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.486 24.278 3.661 1.00 0.00 H new ATOM 1228 N VAL A 81 9.689 19.835 4.346 1.00 0.00 N ATOM 1229 CA VAL A 81 9.966 18.408 4.470 1.00 0.00 C ATOM 1230 C VAL A 81 8.961 17.566 3.679 1.00 0.00 C ATOM 1231 O VAL A 81 7.973 17.079 4.227 1.00 0.00 O ATOM 1232 CB VAL A 81 9.973 17.982 5.949 1.00 0.00 C ATOM 1233 CG1 VAL A 81 8.685 18.399 6.641 1.00 0.00 C ATOM 1234 CG2 VAL A 81 10.209 16.485 6.084 1.00 0.00 C ATOM 0 H VAL A 81 10.523 20.422 4.360 1.00 0.00 H new ATOM 0 HA VAL A 81 10.955 18.230 4.048 1.00 0.00 H new ATOM 0 HB VAL A 81 10.798 18.495 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.715 18.086 7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.579 19.483 6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.836 17.927 6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.209 16.210 7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.416 15.944 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.171 16.227 5.642 1.00 0.00 H new ATOM 1244 N PRO A 82 9.205 17.396 2.367 1.00 0.00 N ATOM 1245 CA PRO A 82 8.325 16.626 1.487 1.00 0.00 C ATOM 1246 C PRO A 82 7.812 15.343 2.136 1.00 0.00 C ATOM 1247 O PRO A 82 8.595 14.513 2.598 1.00 0.00 O ATOM 1248 CB PRO A 82 9.232 16.304 0.303 1.00 0.00 C ATOM 1249 CG PRO A 82 10.165 17.463 0.222 1.00 0.00 C ATOM 1250 CD PRO A 82 10.361 17.954 1.635 1.00 0.00 C ATOM 0 HA PRO A 82 7.422 17.178 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.772 15.370 0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.659 16.191 -0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.116 17.166 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.752 18.250 -0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.305 17.604 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.376 19.043 1.681 1.00 0.00 H new ATOM 1258 N LYS A 83 6.492 15.190 2.168 1.00 0.00 N ATOM 1259 CA LYS A 83 5.871 14.012 2.762 1.00 0.00 C ATOM 1260 C LYS A 83 5.949 12.818 1.819 1.00 0.00 C ATOM 1261 O LYS A 83 6.195 12.969 0.622 1.00 0.00 O ATOM 1262 CB LYS A 83 4.412 14.302 3.120 1.00 0.00 C ATOM 1263 CG LYS A 83 4.228 14.843 4.529 1.00 0.00 C ATOM 1264 CD LYS A 83 2.971 14.288 5.181 1.00 0.00 C ATOM 1265 CE LYS A 83 1.817 15.274 5.095 1.00 0.00 C ATOM 1266 NZ LYS A 83 0.576 14.730 5.711 1.00 0.00 N ATOM 0 H LYS A 83 5.831 15.868 1.789 1.00 0.00 H new ATOM 0 HA LYS A 83 6.418 13.767 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.008 15.021 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.831 13.386 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.097 14.586 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.172 15.931 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.690 13.354 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.175 14.055 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.094 16.202 5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.626 15.520 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.187 15.432 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.297 13.858 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.750 14.519 6.714 1.00 0.00 H new ATOM 1280 N PRO A 84 5.756 11.607 2.361 1.00 0.00 N ATOM 1281 CA PRO A 84 5.817 10.362 1.601 1.00 0.00 C ATOM 1282 C PRO A 84 4.500 10.045 0.898 1.00 0.00 C ATOM 1283 O PRO A 84 3.486 10.703 1.131 1.00 0.00 O ATOM 1284 CB PRO A 84 6.121 9.306 2.683 1.00 0.00 C ATOM 1285 CG PRO A 84 6.244 10.067 3.972 1.00 0.00 C ATOM 1286 CD PRO A 84 5.484 11.336 3.769 1.00 0.00 C ATOM 0 HA PRO A 84 6.558 10.404 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.324 8.564 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.042 8.768 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.835 9.495 4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.289 10.270 4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.419 11.214 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.839 12.137 4.418 1.00 0.00 H new ATOM 1294 N GLN A 85 4.524 9.031 0.038 1.00 0.00 N ATOM 1295 CA GLN A 85 3.333 8.624 -0.698 1.00 0.00 C ATOM 1296 C GLN A 85 3.066 7.133 -0.519 1.00 0.00 C ATOM 1297 O GLN A 85 3.852 6.294 -0.958 1.00 0.00 O ATOM 1298 CB GLN A 85 3.488 8.950 -2.185 1.00 0.00 C ATOM 1299 CG GLN A 85 3.981 10.363 -2.448 1.00 0.00 C ATOM 1300 CD GLN A 85 3.598 10.866 -3.827 1.00 0.00 C ATOM 1301 OE1 GLN A 85 3.557 10.101 -4.790 1.00 0.00 O ATOM 1302 NE2 GLN A 85 3.315 12.160 -3.928 1.00 0.00 N ATOM 0 H GLN A 85 5.356 8.477 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 85 2.484 9.179 -0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.184 8.241 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.528 8.811 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.570 11.034 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.066 10.391 -2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.362 12.758 -3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.051 12.555 -4.830 1.00 0.00 H new ATOM 1311 N ARG A 86 1.952 6.812 0.130 1.00 0.00 N ATOM 1312 CA ARG A 86 1.578 5.422 0.372 1.00 0.00 C ATOM 1313 C ARG A 86 0.214 5.114 -0.242 1.00 0.00 C ATOM 1314 O ARG A 86 -0.672 5.966 -0.261 1.00 0.00 O ATOM 1315 CB ARG A 86 1.551 5.135 1.875 1.00 0.00 C ATOM 1316 CG ARG A 86 0.967 6.268 2.704 1.00 0.00 C ATOM 1317 CD ARG A 86 0.965 5.936 4.188 1.00 0.00 C ATOM 1318 NE ARG A 86 1.895 6.777 4.938 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.656 8.048 5.253 1.00 0.00 C ATOM 1320 NH1 ARG A 86 0.521 8.628 4.885 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.556 8.741 5.937 1.00 0.00 N ATOM 0 H ARG A 86 1.291 7.496 0.499 1.00 0.00 H new ATOM 0 HA ARG A 86 2.323 4.781 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.970 4.230 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.567 4.934 2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.544 7.177 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.052 6.472 2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.041 6.063 4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.232 4.888 4.326 1.00 0.00 H new ATOM 0 HE ARG A 86 2.779 6.366 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.174 8.100 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.344 9.602 5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.431 8.300 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.374 9.715 6.179 1.00 0.00 H new ATOM 1335 N HIS A 87 0.051 3.891 -0.740 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.209 3.480 -1.349 1.00 0.00 C ATOM 1337 C HIS A 87 -2.065 2.727 -0.338 1.00 0.00 C ATOM 1338 O HIS A 87 -1.723 1.618 0.070 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.945 2.603 -2.573 1.00 0.00 C ATOM 1340 CG HIS A 87 0.234 3.047 -3.383 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.131 3.909 -4.455 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.549 2.748 -3.268 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.332 4.120 -4.964 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.209 3.428 -4.262 1.00 0.00 N ATOM 0 H HIS A 87 0.773 3.171 -0.734 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.748 4.372 -1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.785 1.576 -2.246 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.832 2.601 -3.207 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.996 2.096 -2.532 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.557 4.751 -5.811 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.215 3.402 -4.430 1.00 0.00 H new ATOM 1353 N MET A 88 -3.174 3.335 0.068 1.00 0.00 N ATOM 1354 CA MET A 88 -4.067 2.716 1.041 1.00 0.00 C ATOM 1355 C MET A 88 -5.188 1.950 0.353 1.00 0.00 C ATOM 1356 O MET A 88 -5.927 2.501 -0.463 1.00 0.00 O ATOM 1357 CB MET A 88 -4.655 3.777 1.975 1.00 0.00 C ATOM 1358 CG MET A 88 -4.918 3.265 3.383 1.00 0.00 C ATOM 1359 SD MET A 88 -5.741 4.486 4.425 1.00 0.00 S ATOM 1360 CE MET A 88 -5.842 3.596 5.976 1.00 0.00 C ATOM 0 H MET A 88 -3.476 4.253 -0.260 1.00 0.00 H new ATOM 0 HA MET A 88 -3.481 2.008 1.628 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.971 4.624 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.589 4.147 1.551 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.532 2.366 3.330 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.973 2.978 3.844 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.466 4.153 6.675 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.279 2.613 5.803 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.842 3.480 6.395 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.306 0.672 0.695 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.334 -0.186 0.122 1.00 0.00 C ATOM 1372 C PHE A 89 -7.201 -0.791 1.222 1.00 0.00 C ATOM 1373 O PHE A 89 -6.715 -1.550 2.058 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.691 -1.301 -0.704 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.826 -0.803 -1.827 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.381 -0.475 -3.054 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.458 -0.669 -1.658 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.586 -0.023 -4.090 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.659 -0.218 -2.692 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.224 0.105 -3.909 1.00 0.00 C ATOM 0 H PHE A 89 -4.699 0.206 1.370 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.965 0.421 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.090 -1.928 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.477 -1.934 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.446 -0.574 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.010 -0.920 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.031 0.230 -5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.593 -0.118 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.601 0.457 -4.718 1.00 0.00 H new ATOM 1390 N SER A 90 -8.486 -0.454 1.216 1.00 0.00 N ATOM 1391 CA SER A 90 -9.412 -0.971 2.218 1.00 0.00 C ATOM 1392 C SER A 90 -10.084 -2.246 1.728 1.00 0.00 C ATOM 1393 O SER A 90 -10.842 -2.227 0.760 1.00 0.00 O ATOM 1394 CB SER A 90 -10.475 0.075 2.554 1.00 0.00 C ATOM 1395 OG SER A 90 -10.819 0.033 3.928 1.00 0.00 O ATOM 0 H SER A 90 -8.909 0.172 0.531 1.00 0.00 H new ATOM 0 HA SER A 90 -8.840 -1.200 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.105 1.068 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.364 -0.099 1.948 1.00 0.00 H new ATOM 0 HG SER A 90 -10.221 0.622 4.433 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.798 -3.353 2.400 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.376 -4.637 2.026 1.00 0.00 C ATOM 1403 C PHE A 91 -11.596 -4.967 2.878 1.00 0.00 C ATOM 1404 O PHE A 91 -11.641 -4.662 4.068 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.327 -5.735 2.155 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.333 -5.728 1.035 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.376 -4.731 0.945 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.363 -6.714 0.066 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.464 -4.720 -0.092 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.456 -6.709 -0.973 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.503 -5.712 -1.054 1.00 0.00 C ATOM 0 H PHE A 91 -9.172 -3.388 3.204 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.704 -4.573 0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.800 -5.617 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.825 -6.704 2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.343 -3.954 1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.105 -7.497 0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.722 -3.938 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.491 -7.485 -1.724 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.791 -5.708 -1.866 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.588 -5.596 2.253 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.815 -5.973 2.945 1.00 0.00 C ATOM 1423 C ASN A 92 -13.859 -7.478 3.187 1.00 0.00 C ATOM 1424 O ASN A 92 -14.913 -8.105 3.077 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.034 -5.539 2.129 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.499 -4.140 2.484 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.710 -3.821 3.654 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.660 -3.296 1.472 1.00 0.00 N ATOM 0 H ASN A 92 -12.565 -5.855 1.267 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.833 -5.467 3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.790 -5.579 1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.849 -6.243 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.970 -2.341 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.473 -3.603 0.517 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.706 -8.055 3.512 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.610 -9.489 3.763 1.00 0.00 C ATOM 1437 C ASN A 93 -11.185 -9.886 4.117 1.00 0.00 C ATOM 1438 O ASN A 93 -10.253 -9.650 3.348 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.079 -10.275 2.536 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.496 -10.790 2.681 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.113 -10.658 3.738 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.020 -11.383 1.615 1.00 0.00 N ATOM 0 H ASN A 93 -11.824 -7.551 3.608 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.255 -9.727 4.609 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.017 -9.637 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.406 -11.116 2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.971 -11.751 1.652 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.472 -11.470 0.759 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.020 -10.500 5.284 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.706 -10.940 5.727 1.00 0.00 C ATOM 1451 C ARG A 94 -9.179 -12.044 4.818 1.00 0.00 C ATOM 1452 O ARG A 94 -7.992 -12.368 4.844 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.763 -11.434 7.175 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.420 -11.906 7.711 1.00 0.00 C ATOM 1455 CD ARG A 94 -7.343 -10.847 7.533 1.00 0.00 C ATOM 1456 NE ARG A 94 -6.224 -11.042 8.450 1.00 0.00 N ATOM 1457 CZ ARG A 94 -5.341 -12.032 8.343 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -5.446 -12.922 7.363 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -4.351 -12.135 9.218 1.00 0.00 N ATOM 0 H ARG A 94 -11.778 -10.703 5.936 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.027 -10.089 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.136 -10.630 7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.480 -12.252 7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.516 -12.154 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.122 -12.819 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.978 -10.871 6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.776 -9.860 7.695 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.112 -10.380 9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.206 -12.849 6.687 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.766 -13.679 7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.266 -11.455 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.674 -12.894 9.136 1.00 0.00 H new ATOM 1473 N THR A 95 -10.068 -12.614 4.008 1.00 0.00 N ATOM 1474 CA THR A 95 -9.689 -13.669 3.086 1.00 0.00 C ATOM 1475 C THR A 95 -8.927 -13.083 1.910 1.00 0.00 C ATOM 1476 O THR A 95 -7.906 -13.620 1.480 1.00 0.00 O ATOM 1477 CB THR A 95 -10.938 -14.412 2.615 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.117 -15.610 3.349 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.927 -14.772 1.146 1.00 0.00 C ATOM 0 H THR A 95 -11.055 -12.359 3.975 1.00 0.00 H new ATOM 0 HA THR A 95 -9.035 -14.379 3.593 1.00 0.00 H new ATOM 0 HB THR A 95 -11.756 -13.712 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.923 -16.070 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.848 -15.297 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.851 -13.863 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.073 -15.416 0.936 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.425 -11.963 1.407 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.784 -11.282 0.291 1.00 0.00 C ATOM 1489 C VAL A 96 -7.397 -10.836 0.711 1.00 0.00 C ATOM 1490 O VAL A 96 -6.406 -11.135 0.044 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.581 -10.052 -0.189 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.518 -9.934 -1.704 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.023 -10.106 0.292 1.00 0.00 C ATOM 0 H VAL A 96 -10.269 -11.507 1.753 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.736 -11.988 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.122 -9.163 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.086 -9.061 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.480 -9.827 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.943 -10.830 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.558 -9.225 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.503 -11.004 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.043 -10.128 1.382 1.00 0.00 H new ATOM 1503 N MET A 97 -7.332 -10.137 1.843 1.00 0.00 N ATOM 1504 CA MET A 97 -6.052 -9.675 2.370 1.00 0.00 C ATOM 1505 C MET A 97 -5.089 -10.845 2.452 1.00 0.00 C ATOM 1506 O MET A 97 -3.930 -10.744 2.053 1.00 0.00 O ATOM 1507 CB MET A 97 -6.210 -9.057 3.759 1.00 0.00 C ATOM 1508 CG MET A 97 -7.499 -8.287 3.947 1.00 0.00 C ATOM 1509 SD MET A 97 -7.268 -6.761 4.884 1.00 0.00 S ATOM 1510 CE MET A 97 -6.252 -7.335 6.244 1.00 0.00 C ATOM 0 H MET A 97 -8.142 -9.881 2.407 1.00 0.00 H new ATOM 0 HA MET A 97 -5.665 -8.910 1.697 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.160 -9.849 4.506 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.369 -8.389 3.946 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.921 -8.049 2.971 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.223 -8.919 4.462 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.541 -6.816 7.158 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.393 -8.408 6.376 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.204 -7.131 6.027 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.591 -11.967 2.961 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.780 -13.172 3.077 1.00 0.00 C ATOM 1522 C ASP A 98 -4.161 -13.515 1.727 1.00 0.00 C ATOM 1523 O ASP A 98 -3.081 -14.095 1.652 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.626 -14.342 3.584 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.428 -14.599 5.065 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.267 -14.565 5.524 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.434 -14.834 5.766 1.00 0.00 O ATOM 0 H ASP A 98 -6.549 -12.065 3.297 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.982 -12.987 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.679 -14.136 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.370 -15.242 3.024 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.863 -13.140 0.666 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.401 -13.387 -0.694 1.00 0.00 C ATOM 1534 C ASN A 99 -3.407 -12.316 -1.141 1.00 0.00 C ATOM 1535 O ASN A 99 -2.302 -12.626 -1.585 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.590 -13.428 -1.655 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.710 -14.317 -1.151 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -6.479 -15.257 -0.389 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.935 -14.026 -1.575 1.00 0.00 N ATOM 0 H ASN A 99 -5.761 -12.660 0.722 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.893 -14.352 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.970 -12.417 -1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.255 -13.787 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.728 -14.590 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.083 -13.238 -2.206 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.817 -11.053 -1.030 1.00 0.00 N ATOM 1547 CA ILE A 100 -2.975 -9.927 -1.434 1.00 0.00 C ATOM 1548 C ILE A 100 -1.801 -9.725 -0.486 1.00 0.00 C ATOM 1549 O ILE A 100 -0.641 -9.789 -0.893 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.787 -8.617 -1.475 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.034 -8.788 -2.340 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.927 -7.461 -1.978 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.749 -8.781 -3.823 1.00 0.00 C ATOM 0 H ILE A 100 -4.730 -10.783 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.598 -10.169 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.106 -8.379 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.522 -9.727 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.737 -7.988 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.521 -6.547 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.075 -7.325 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.570 -7.684 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.681 -8.907 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.289 -7.833 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.070 -9.598 -4.067 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.113 -9.465 0.778 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.090 -9.232 1.789 1.00 0.00 C ATOM 1567 C LYS A 101 -0.009 -10.307 1.749 1.00 0.00 C ATOM 1568 O LYS A 101 1.165 -10.029 1.993 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.728 -9.192 3.179 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.747 -8.849 4.288 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.957 -9.727 5.512 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.350 -9.547 6.092 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.403 -9.913 7.535 1.00 0.00 N ATOM 0 H LYS A 101 -3.070 -9.410 1.128 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.620 -8.272 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.534 -8.459 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.179 -10.161 3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.273 -8.970 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.863 -7.802 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.806 -10.772 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.212 -9.483 6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.663 -8.510 5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.057 -10.162 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.370 -9.776 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.129 -10.910 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.747 -9.309 8.071 1.00 0.00 H new ATOM 1587 N MET A 102 -0.412 -11.538 1.450 1.00 0.00 N ATOM 1588 CA MET A 102 0.522 -12.653 1.389 1.00 0.00 C ATOM 1589 C MET A 102 1.225 -12.726 0.040 1.00 0.00 C ATOM 1590 O MET A 102 2.360 -13.195 -0.047 1.00 0.00 O ATOM 1591 CB MET A 102 -0.197 -13.973 1.667 1.00 0.00 C ATOM 1592 CG MET A 102 -0.660 -14.121 3.108 1.00 0.00 C ATOM 1593 SD MET A 102 -0.837 -15.846 3.606 1.00 0.00 S ATOM 1594 CE MET A 102 -1.908 -16.469 2.313 1.00 0.00 C ATOM 0 H MET A 102 -1.380 -11.787 1.246 1.00 0.00 H new ATOM 0 HA MET A 102 1.277 -12.484 2.157 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.060 -14.053 1.006 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.470 -14.799 1.422 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.054 -13.628 3.768 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.615 -13.611 3.233 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.855 -17.557 2.289 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.935 -16.160 2.511 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.588 -16.069 1.351 1.00 0.00 H new ATOM 1604 N THR A 103 0.556 -12.271 -1.019 1.00 0.00 N ATOM 1605 CA THR A 103 1.147 -12.310 -2.340 1.00 0.00 C ATOM 1606 C THR A 103 2.181 -11.200 -2.495 1.00 0.00 C ATOM 1607 O THR A 103 3.283 -11.435 -2.989 1.00 0.00 O ATOM 1608 CB THR A 103 0.054 -12.206 -3.408 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.309 -13.492 -3.877 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.451 -11.381 -4.607 1.00 0.00 C ATOM 0 H THR A 103 -0.384 -11.877 -0.981 1.00 0.00 H new ATOM 0 HA THR A 103 1.661 -13.262 -2.471 1.00 0.00 H new ATOM 0 HB THR A 103 -0.780 -11.709 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.142 -13.548 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.374 -11.354 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.689 -10.366 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.325 -11.826 -5.082 1.00 0.00 H new ATOM 1618 N LEU A 104 1.830 -9.994 -2.058 1.00 0.00 N ATOM 1619 CA LEU A 104 2.749 -8.866 -2.145 1.00 0.00 C ATOM 1620 C LEU A 104 4.076 -9.226 -1.490 1.00 0.00 C ATOM 1621 O LEU A 104 5.138 -9.108 -2.101 1.00 0.00 O ATOM 1622 CB LEU A 104 2.163 -7.626 -1.461 1.00 0.00 C ATOM 1623 CG LEU A 104 0.743 -7.246 -1.878 1.00 0.00 C ATOM 1624 CD1 LEU A 104 0.027 -6.545 -0.731 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.763 -6.355 -3.112 1.00 0.00 C ATOM 0 H LEU A 104 0.924 -9.775 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 104 2.908 -8.639 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.174 -7.789 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.819 -6.779 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 104 0.202 -8.159 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.984 -6.279 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.021 -7.212 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.573 -5.641 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.259 -6.097 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.321 -5.444 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.241 -6.885 -3.936 1.00 0.00 H new ATOM 1637 N GLN A 105 3.998 -9.672 -0.239 1.00 0.00 N ATOM 1638 CA GLN A 105 5.182 -10.058 0.518 1.00 0.00 C ATOM 1639 C GLN A 105 5.975 -11.139 -0.213 1.00 0.00 C ATOM 1640 O GLN A 105 7.193 -11.037 -0.349 1.00 0.00 O ATOM 1641 CB GLN A 105 4.783 -10.556 1.909 1.00 0.00 C ATOM 1642 CG GLN A 105 5.081 -9.563 3.020 1.00 0.00 C ATOM 1643 CD GLN A 105 4.077 -9.640 4.152 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.421 -9.992 5.281 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.824 -9.314 3.855 1.00 0.00 N ATOM 0 H GLN A 105 3.122 -9.775 0.273 1.00 0.00 H new ATOM 0 HA GLN A 105 5.816 -9.178 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.717 -10.783 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.308 -11.488 2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.081 -9.751 3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.084 -8.553 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.583 -9.028 2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.103 -9.350 4.576 1.00 0.00 H new ATOM 1654 N GLN A 106 5.277 -12.175 -0.686 1.00 0.00 N ATOM 1655 CA GLN A 106 5.927 -13.269 -1.406 1.00 0.00 C ATOM 1656 C GLN A 106 6.877 -12.718 -2.463 1.00 0.00 C ATOM 1657 O GLN A 106 7.949 -13.270 -2.708 1.00 0.00 O ATOM 1658 CB GLN A 106 4.881 -14.173 -2.061 1.00 0.00 C ATOM 1659 CG GLN A 106 4.410 -15.306 -1.165 1.00 0.00 C ATOM 1660 CD GLN A 106 4.238 -16.611 -1.918 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.141 -17.054 -2.628 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.075 -17.234 -1.766 1.00 0.00 N ATOM 0 H GLN A 106 4.267 -12.278 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 106 6.501 -13.859 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.021 -13.569 -2.351 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.298 -14.594 -2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.128 -15.448 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.462 -15.029 -0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.355 -16.830 -1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.902 -18.116 -2.248 1.00 0.00 H new ATOM 1671 N ILE A 107 6.471 -11.611 -3.067 1.00 0.00 N ATOM 1672 CA ILE A 107 7.269 -10.946 -4.086 1.00 0.00 C ATOM 1673 C ILE A 107 8.266 -9.998 -3.435 1.00 0.00 C ATOM 1674 O ILE A 107 9.464 -10.053 -3.705 1.00 0.00 O ATOM 1675 CB ILE A 107 6.376 -10.166 -5.062 1.00 0.00 C ATOM 1676 CG1 ILE A 107 5.166 -11.005 -5.480 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.180 -9.755 -6.276 1.00 0.00 C ATOM 1678 CD1 ILE A 107 4.056 -10.194 -6.111 1.00 0.00 C ATOM 0 H ILE A 107 5.583 -11.150 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 107 7.808 -11.711 -4.645 1.00 0.00 H new ATOM 0 HB ILE A 107 6.008 -9.271 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.491 -11.770 -6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.774 -11.523 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.542 -9.202 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.011 -9.123 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.567 -10.644 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.232 -10.854 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.703 -9.446 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.432 -9.697 -7.005 1.00 0.00 H new ATOM 1690 N ILE A 108 7.755 -9.136 -2.563 1.00 0.00 N ATOM 1691 CA ILE A 108 8.590 -8.173 -1.841 1.00 0.00 C ATOM 1692 C ILE A 108 9.876 -8.813 -1.355 1.00 0.00 C ATOM 1693 O ILE A 108 10.972 -8.386 -1.707 1.00 0.00 O ATOM 1694 CB ILE A 108 7.856 -7.581 -0.621 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.500 -7.001 -1.044 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.730 -6.535 0.066 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.262 -5.566 -0.612 1.00 0.00 C ATOM 0 H ILE A 108 6.762 -9.082 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 108 8.817 -7.376 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 108 7.663 -8.375 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.419 -7.058 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.708 -7.626 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.199 -6.125 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.658 -6.999 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.957 -5.733 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.280 -5.241 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.307 -5.501 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.028 -4.924 -1.046 1.00 0.00 H new ATOM 1709 N SER A 109 9.721 -9.842 -0.543 1.00 0.00 N ATOM 1710 CA SER A 109 10.861 -10.567 0.013 1.00 0.00 C ATOM 1711 C SER A 109 11.890 -10.888 -1.065 1.00 0.00 C ATOM 1712 O SER A 109 13.081 -11.023 -0.784 1.00 0.00 O ATOM 1713 CB SER A 109 10.395 -11.858 0.686 1.00 0.00 C ATOM 1714 OG SER A 109 9.229 -12.368 0.061 1.00 0.00 O ATOM 0 H SER A 109 8.813 -10.201 -0.249 1.00 0.00 H new ATOM 0 HA SER A 109 11.332 -9.925 0.757 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.190 -12.602 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.193 -11.670 1.740 1.00 0.00 H new ATOM 0 HG SER A 109 8.436 -11.945 0.452 1.00 0.00 H new ATOM 1720 N ARG A 110 11.421 -11.009 -2.298 1.00 0.00 N ATOM 1721 CA ARG A 110 12.295 -11.313 -3.421 1.00 0.00 C ATOM 1722 C ARG A 110 13.133 -10.092 -3.806 1.00 0.00 C ATOM 1723 O ARG A 110 14.216 -10.231 -4.370 1.00 0.00 O ATOM 1724 CB ARG A 110 11.471 -11.852 -4.608 1.00 0.00 C ATOM 1725 CG ARG A 110 11.652 -11.107 -5.926 1.00 0.00 C ATOM 1726 CD ARG A 110 12.806 -11.677 -6.732 1.00 0.00 C ATOM 1727 NE ARG A 110 13.548 -10.635 -7.438 1.00 0.00 N ATOM 1728 CZ ARG A 110 14.358 -10.871 -8.467 1.00 0.00 C ATOM 1729 NH1 ARG A 110 14.534 -12.108 -8.914 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.994 -9.866 -9.053 1.00 0.00 N ATOM 0 H ARG A 110 10.438 -10.901 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 110 12.994 -12.095 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 110 11.733 -12.899 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 110 10.416 -11.824 -4.337 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.733 -11.169 -6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.832 -10.051 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.481 -12.216 -6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.423 -12.400 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 110 13.439 -9.671 -7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 110 14.047 -12.885 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 110 15.156 -12.281 -9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 110 14.862 -8.913 -8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.615 -10.046 -9.842 1.00 0.00 H new ATOM 1744 N TYR A 111 12.637 -8.898 -3.486 1.00 0.00 N ATOM 1745 CA TYR A 111 13.361 -7.666 -3.792 1.00 0.00 C ATOM 1746 C TYR A 111 14.532 -7.520 -2.836 1.00 0.00 C ATOM 1747 O TYR A 111 15.612 -7.071 -3.217 1.00 0.00 O ATOM 1748 CB TYR A 111 12.467 -6.421 -3.673 1.00 0.00 C ATOM 1749 CG TYR A 111 11.027 -6.598 -4.116 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.627 -7.681 -4.888 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.063 -5.665 -3.750 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.317 -7.829 -5.281 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.745 -5.807 -4.142 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.378 -6.891 -4.905 1.00 0.00 C ATOM 1755 OH TYR A 111 7.067 -7.036 -5.292 1.00 0.00 O ATOM 0 H TYR A 111 11.742 -8.758 -3.018 1.00 0.00 H new ATOM 0 HA TYR A 111 13.705 -7.737 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.470 -6.093 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.913 -5.619 -4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.357 -8.420 -5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.349 -4.815 -3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.025 -8.677 -5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.009 -5.072 -3.851 1.00 0.00 H new ATOM 0 HH TYR A 111 6.513 -7.225 -4.506 1.00 0.00 H new ATOM 1765 N LYS A 112 14.306 -7.925 -1.592 1.00 0.00 N ATOM 1766 CA LYS A 112 15.336 -7.864 -0.572 1.00 0.00 C ATOM 1767 C LYS A 112 16.241 -9.053 -0.756 1.00 0.00 C ATOM 1768 O LYS A 112 17.467 -8.950 -0.724 1.00 0.00 O ATOM 1769 CB LYS A 112 14.760 -7.868 0.851 1.00 0.00 C ATOM 1770 CG LYS A 112 13.293 -8.219 0.913 1.00 0.00 C ATOM 1771 CD LYS A 112 12.465 -7.128 0.281 1.00 0.00 C ATOM 1772 CE LYS A 112 12.416 -5.899 1.156 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.162 -5.121 0.960 1.00 0.00 N ATOM 0 H LYS A 112 13.414 -8.300 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 112 15.880 -6.926 -0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.320 -8.579 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.908 -6.884 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.116 -9.163 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.990 -8.360 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.883 -6.868 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.453 -7.492 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.498 -6.196 2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.274 -5.264 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.335 -4.121 1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.853 -5.204 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.420 -5.494 1.586 1.00 0.00 H new ATOM 1787 N ASP A 113 15.598 -10.184 -0.989 1.00 0.00 N ATOM 1788 CA ASP A 113 16.306 -11.426 -1.233 1.00 0.00 C ATOM 1789 C ASP A 113 17.158 -11.274 -2.481 1.00 0.00 C ATOM 1790 O ASP A 113 18.230 -11.867 -2.599 1.00 0.00 O ATOM 1791 CB ASP A 113 15.324 -12.588 -1.396 1.00 0.00 C ATOM 1792 CG ASP A 113 16.024 -13.931 -1.477 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.438 -14.318 -2.590 1.00 0.00 O ATOM 1794 OD2 ASP A 113 16.160 -14.594 -0.428 1.00 0.00 O ATOM 0 H ASP A 113 14.582 -10.266 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 113 16.946 -11.647 -0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.630 -12.594 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.732 -12.435 -2.298 1.00 0.00 H new ATOM 1799 N ALA A 114 16.674 -10.445 -3.402 1.00 0.00 N ATOM 1800 CA ALA A 114 17.389 -10.177 -4.636 1.00 0.00 C ATOM 1801 C ALA A 114 18.277 -8.947 -4.486 1.00 0.00 C ATOM 1802 O ALA A 114 19.218 -8.752 -5.255 1.00 0.00 O ATOM 1803 CB ALA A 114 16.421 -9.996 -5.795 1.00 0.00 C ATOM 0 H ALA A 114 15.787 -9.949 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 114 18.023 -11.037 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.981 -9.796 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.831 -10.904 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.756 -9.158 -5.586 1.00 0.00 H new ATOM 1809 N ASP A 115 17.972 -8.118 -3.488 1.00 0.00 N ATOM 1810 CA ASP A 115 18.747 -6.905 -3.237 1.00 0.00 C ATOM 1811 C ASP A 115 20.230 -7.227 -3.082 1.00 0.00 C ATOM 1812 O ASP A 115 20.644 -7.579 -1.957 1.00 0.00 O ATOM 1813 CB ASP A 115 18.234 -6.197 -1.981 1.00 0.00 C ATOM 1814 CG ASP A 115 18.961 -4.893 -1.714 1.00 0.00 C ATOM 1815 OD1 ASP A 115 20.194 -4.931 -1.515 1.00 0.00 O ATOM 1816 OD2 ASP A 115 18.298 -3.835 -1.704 1.00 0.00 O ATOM 0 H ASP A 115 17.196 -8.264 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 115 18.625 -6.244 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.167 -6.000 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.351 -6.857 -1.122 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N ASP B 661 -10.464 10.518 3.252 1.00 0.00 N ATOM 1823 CA ASP B 661 -8.987 10.358 3.268 1.00 0.00 C ATOM 1824 C ASP B 661 -8.314 11.516 3.999 1.00 0.00 C ATOM 1825 O ASP B 661 -7.800 12.443 3.374 1.00 0.00 O ATOM 1826 CB ASP B 661 -8.490 10.288 1.822 1.00 0.00 C ATOM 1827 CG ASP B 661 -7.000 10.016 1.735 1.00 0.00 C ATOM 1828 OD1 ASP B 661 -6.216 10.839 2.253 1.00 0.00 O ATOM 1829 OD2 ASP B 661 -6.618 8.981 1.151 1.00 0.00 O ATOM 0 HA ASP B 661 -8.732 9.441 3.800 1.00 0.00 H new ATOM 0 HB2 ASP B 661 -9.031 9.504 1.292 1.00 0.00 H new ATOM 0 HB3 ASP B 661 -8.715 11.228 1.317 1.00 0.00 H new ATOM 1834 N LEU B 662 -8.323 11.454 5.327 1.00 0.00 N ATOM 1835 CA LEU B 662 -7.714 12.497 6.144 1.00 0.00 C ATOM 1836 C LEU B 662 -7.796 12.145 7.625 1.00 0.00 C ATOM 1837 O LEU B 662 -8.745 12.523 8.312 1.00 0.00 O ATOM 1838 CB LEU B 662 -8.400 13.841 5.888 1.00 0.00 C ATOM 1839 CG LEU B 662 -7.476 15.059 5.932 1.00 0.00 C ATOM 1840 CD1 LEU B 662 -6.710 15.101 7.245 1.00 0.00 C ATOM 1841 CD2 LEU B 662 -6.515 15.040 4.754 1.00 0.00 C ATOM 0 H LEU B 662 -8.745 10.693 5.859 1.00 0.00 H new ATOM 0 HA LEU B 662 -6.663 12.575 5.865 1.00 0.00 H new ATOM 0 HB2 LEU B 662 -8.882 13.805 4.911 1.00 0.00 H new ATOM 0 HB3 LEU B 662 -9.189 13.976 6.628 1.00 0.00 H new ATOM 0 HG LEU B 662 -8.088 15.958 5.863 1.00 0.00 H new ATOM 0 HD11 LEU B 662 -6.058 15.974 7.258 1.00 0.00 H new ATOM 0 HD12 LEU B 662 -7.414 15.161 8.075 1.00 0.00 H new ATOM 0 HD13 LEU B 662 -6.108 14.197 7.344 1.00 0.00 H new ATOM 0 HD21 LEU B 662 -5.865 15.914 4.801 1.00 0.00 H new ATOM 0 HD22 LEU B 662 -5.909 14.135 4.793 1.00 0.00 H new ATOM 0 HD23 LEU B 662 -7.081 15.058 3.823 1.00 0.00 H new ATOM 1853 N GLU B 663 -6.796 11.417 8.112 1.00 0.00 N ATOM 1854 CA GLU B 663 -6.755 11.013 9.513 1.00 0.00 C ATOM 1855 C GLU B 663 -7.971 10.165 9.870 1.00 0.00 C ATOM 1856 O GLU B 663 -8.949 10.666 10.427 1.00 0.00 O ATOM 1857 CB GLU B 663 -6.694 12.244 10.419 1.00 0.00 C ATOM 1858 CG GLU B 663 -5.876 12.031 11.682 1.00 0.00 C ATOM 1859 CD GLU B 663 -6.158 13.076 12.743 1.00 0.00 C ATOM 1860 OE1 GLU B 663 -7.298 13.114 13.251 1.00 0.00 O ATOM 1861 OE2 GLU B 663 -5.239 13.857 13.065 1.00 0.00 O ATOM 0 H GLU B 663 -6.003 11.095 7.557 1.00 0.00 H new ATOM 0 HA GLU B 663 -5.858 10.413 9.666 1.00 0.00 H new ATOM 0 HB2 GLU B 663 -6.270 13.077 9.858 1.00 0.00 H new ATOM 0 HB3 GLU B 663 -7.708 12.530 10.697 1.00 0.00 H new ATOM 0 HG2 GLU B 663 -6.090 11.042 12.086 1.00 0.00 H new ATOM 0 HG3 GLU B 663 -4.815 12.051 11.431 1.00 0.00 H new ATOM 1868 N VAL B 664 -7.905 8.877 9.546 1.00 0.00 N ATOM 1869 CA VAL B 664 -9.001 7.959 9.832 1.00 0.00 C ATOM 1870 C VAL B 664 -8.485 6.539 10.039 1.00 0.00 C ATOM 1871 O VAL B 664 -8.486 5.726 9.114 1.00 0.00 O ATOM 1872 CB VAL B 664 -10.044 7.954 8.697 1.00 0.00 C ATOM 1873 CG1 VAL B 664 -11.302 7.213 9.128 1.00 0.00 C ATOM 1874 CG2 VAL B 664 -10.374 9.375 8.267 1.00 0.00 C ATOM 0 H VAL B 664 -7.104 8.446 9.085 1.00 0.00 H new ATOM 0 HA VAL B 664 -9.476 8.309 10.748 1.00 0.00 H new ATOM 0 HB VAL B 664 -9.618 7.430 7.841 1.00 0.00 H new ATOM 0 HG11 VAL B 664 -12.026 7.221 8.313 1.00 0.00 H new ATOM 0 HG12 VAL B 664 -11.049 6.183 9.379 1.00 0.00 H new ATOM 0 HG13 VAL B 664 -11.733 7.704 10.001 1.00 0.00 H new ATOM 0 HG21 VAL B 664 -11.112 9.350 7.465 1.00 0.00 H new ATOM 0 HG22 VAL B 664 -10.778 9.927 9.115 1.00 0.00 H new ATOM 0 HG23 VAL B 664 -9.469 9.867 7.912 1.00 0.00 H new ATOM 1884 N LEU B 665 -8.039 6.249 11.260 1.00 0.00 N ATOM 1885 CA LEU B 665 -7.515 4.927 11.599 1.00 0.00 C ATOM 1886 C LEU B 665 -6.537 4.430 10.538 1.00 0.00 C ATOM 1887 O LEU B 665 -6.521 3.247 10.198 1.00 0.00 O ATOM 1888 CB LEU B 665 -8.662 3.925 11.775 1.00 0.00 C ATOM 1889 CG LEU B 665 -9.343 3.467 10.481 1.00 0.00 C ATOM 1890 CD1 LEU B 665 -9.728 1.999 10.570 1.00 0.00 C ATOM 1891 CD2 LEU B 665 -10.567 4.323 10.190 1.00 0.00 C ATOM 0 H LEU B 665 -8.030 6.914 12.033 1.00 0.00 H new ATOM 0 HA LEU B 665 -6.975 5.014 12.542 1.00 0.00 H new ATOM 0 HB2 LEU B 665 -8.277 3.046 12.293 1.00 0.00 H new ATOM 0 HB3 LEU B 665 -9.416 4.372 12.423 1.00 0.00 H new ATOM 0 HG LEU B 665 -8.636 3.587 9.660 1.00 0.00 H new ATOM 0 HD11 LEU B 665 -10.210 1.692 9.642 1.00 0.00 H new ATOM 0 HD12 LEU B 665 -8.833 1.397 10.730 1.00 0.00 H new ATOM 0 HD13 LEU B 665 -10.417 1.853 11.402 1.00 0.00 H new ATOM 0 HD21 LEU B 665 -11.038 3.983 9.267 1.00 0.00 H new ATOM 0 HD22 LEU B 665 -11.276 4.235 11.013 1.00 0.00 H new ATOM 0 HD23 LEU B 665 -10.265 5.365 10.081 1.00 0.00 H new ATOM 1903 N SER B 666 -5.726 5.343 10.017 1.00 0.00 N ATOM 1904 CA SER B 666 -4.749 5.000 8.991 1.00 0.00 C ATOM 1905 C SER B 666 -3.482 4.423 9.609 1.00 0.00 C ATOM 1906 O SER B 666 -3.286 3.209 9.632 1.00 0.00 O ATOM 1907 CB SER B 666 -4.412 6.230 8.146 1.00 0.00 C ATOM 1908 OG SER B 666 -4.579 7.424 8.892 1.00 0.00 O ATOM 0 H SER B 666 -5.726 6.326 10.288 1.00 0.00 H new ATOM 0 HA SER B 666 -5.190 4.238 8.348 1.00 0.00 H new ATOM 0 HB2 SER B 666 -3.384 6.160 7.791 1.00 0.00 H new ATOM 0 HB3 SER B 666 -5.053 6.256 7.264 1.00 0.00 H new ATOM 0 HG SER B 666 -4.356 8.195 8.330 1.00 0.00 H new ATOM 1914 N GLU B 667 -2.626 5.301 10.103 1.00 0.00 N ATOM 1915 CA GLU B 667 -1.369 4.888 10.720 1.00 0.00 C ATOM 1916 C GLU B 667 -1.502 4.743 12.227 1.00 0.00 C ATOM 1917 O GLU B 667 -0.511 4.757 12.958 1.00 0.00 O ATOM 1918 CB GLU B 667 -0.250 5.873 10.377 1.00 0.00 C ATOM 1919 CG GLU B 667 0.495 5.525 9.098 1.00 0.00 C ATOM 1920 CD GLU B 667 1.736 6.373 8.897 1.00 0.00 C ATOM 1921 OE1 GLU B 667 2.699 6.209 9.676 1.00 0.00 O ATOM 1922 OE2 GLU B 667 1.745 7.201 7.963 1.00 0.00 O ATOM 0 H GLU B 667 -2.776 6.310 10.090 1.00 0.00 H new ATOM 0 HA GLU B 667 -1.113 3.909 10.314 1.00 0.00 H new ATOM 0 HB2 GLU B 667 -0.674 6.873 10.280 1.00 0.00 H new ATOM 0 HB3 GLU B 667 0.460 5.906 11.204 1.00 0.00 H new ATOM 0 HG2 GLU B 667 0.778 4.473 9.122 1.00 0.00 H new ATOM 0 HG3 GLU B 667 -0.172 5.656 8.246 1.00 0.00 H new ATOM 1929 N GLU B 668 -2.734 4.609 12.682 1.00 0.00 N ATOM 1930 CA GLU B 668 -3.018 4.465 14.105 1.00 0.00 C ATOM 1931 C GLU B 668 -3.016 3.002 14.525 1.00 0.00 C ATOM 1932 O GLU B 668 -2.404 2.630 15.526 1.00 0.00 O ATOM 1933 CB GLU B 668 -4.365 5.103 14.444 1.00 0.00 C ATOM 1934 CG GLU B 668 -4.327 6.623 14.482 1.00 0.00 C ATOM 1935 CD GLU B 668 -5.698 7.235 14.692 1.00 0.00 C ATOM 1936 OE1 GLU B 668 -6.366 6.870 15.682 1.00 0.00 O ATOM 1937 OE2 GLU B 668 -6.104 8.080 13.867 1.00 0.00 O ATOM 0 H GLU B 668 -3.561 4.596 12.086 1.00 0.00 H new ATOM 0 HA GLU B 668 -2.229 4.977 14.656 1.00 0.00 H new ATOM 0 HB2 GLU B 668 -5.104 4.785 13.708 1.00 0.00 H new ATOM 0 HB3 GLU B 668 -4.700 4.732 15.413 1.00 0.00 H new ATOM 0 HG2 GLU B 668 -3.662 6.946 15.283 1.00 0.00 H new ATOM 0 HG3 GLU B 668 -3.906 6.996 13.548 1.00 0.00 H new ATOM 1944 N LEU B 669 -3.709 2.182 13.755 1.00 0.00 N ATOM 1945 CA LEU B 669 -3.801 0.753 14.041 1.00 0.00 C ATOM 1946 C LEU B 669 -3.258 -0.089 12.888 1.00 0.00 C ATOM 1947 O LEU B 669 -3.574 -1.273 12.774 1.00 0.00 O ATOM 1948 CB LEU B 669 -5.253 0.362 14.330 1.00 0.00 C ATOM 1949 CG LEU B 669 -6.262 0.761 13.250 1.00 0.00 C ATOM 1950 CD1 LEU B 669 -6.572 -0.422 12.343 1.00 0.00 C ATOM 1951 CD2 LEU B 669 -7.539 1.296 13.883 1.00 0.00 C ATOM 0 H LEU B 669 -4.219 2.478 12.923 1.00 0.00 H new ATOM 0 HA LEU B 669 -3.189 0.554 14.921 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -5.301 -0.718 14.469 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -5.555 0.818 15.273 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.820 1.552 12.644 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -7.291 -0.118 11.582 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -5.655 -0.761 11.861 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -6.992 -1.235 12.936 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -8.244 1.574 13.100 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -7.983 0.526 14.514 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -7.306 2.171 14.489 1.00 0.00 H new ATOM 1963 N PHE B 670 -2.442 0.521 12.034 1.00 0.00 N ATOM 1964 CA PHE B 670 -1.864 -0.187 10.896 1.00 0.00 C ATOM 1965 C PHE B 670 -0.511 -0.792 11.256 1.00 0.00 C ATOM 1966 O PHE B 670 0.377 -0.100 11.756 1.00 0.00 O ATOM 1967 CB PHE B 670 -1.715 0.753 9.700 1.00 0.00 C ATOM 1968 CG PHE B 670 -2.873 0.697 8.745 1.00 0.00 C ATOM 1969 CD1 PHE B 670 -4.175 0.665 9.217 1.00 0.00 C ATOM 1970 CD2 PHE B 670 -2.659 0.679 7.375 1.00 0.00 C ATOM 1971 CE1 PHE B 670 -5.242 0.618 8.342 1.00 0.00 C ATOM 1972 CE2 PHE B 670 -3.723 0.631 6.496 1.00 0.00 C ATOM 1973 CZ PHE B 670 -5.017 0.601 6.980 1.00 0.00 C ATOM 0 H PHE B 670 -2.167 1.500 12.107 1.00 0.00 H new ATOM 0 HA PHE B 670 -2.542 -0.997 10.627 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -1.603 1.775 10.063 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -0.800 0.503 9.164 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -4.358 0.677 10.281 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -1.650 0.703 6.991 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.252 0.595 8.723 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.544 0.617 5.431 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.851 0.564 6.294 1.00 0.00 H new ATOM 1983 N GLU B 671 -0.360 -2.085 10.992 1.00 0.00 N ATOM 1984 CA GLU B 671 0.886 -2.786 11.281 1.00 0.00 C ATOM 1985 C GLU B 671 1.582 -3.204 9.991 1.00 0.00 C ATOM 1986 O GLU B 671 0.951 -3.736 9.077 1.00 0.00 O ATOM 1987 CB GLU B 671 0.616 -4.015 12.152 1.00 0.00 C ATOM 1988 CG GLU B 671 -0.266 -5.055 11.481 1.00 0.00 C ATOM 1989 CD GLU B 671 0.536 -6.127 10.768 1.00 0.00 C ATOM 1990 OE1 GLU B 671 1.734 -5.896 10.503 1.00 0.00 O ATOM 1991 OE2 GLU B 671 -0.036 -7.199 10.474 1.00 0.00 O ATOM 0 H GLU B 671 -1.086 -2.670 10.578 1.00 0.00 H new ATOM 0 HA GLU B 671 1.541 -2.105 11.824 1.00 0.00 H new ATOM 0 HB2 GLU B 671 1.567 -4.476 12.420 1.00 0.00 H new ATOM 0 HB3 GLU B 671 0.144 -3.695 13.081 1.00 0.00 H new ATOM 0 HG2 GLU B 671 -0.905 -5.522 12.230 1.00 0.00 H new ATOM 0 HG3 GLU B 671 -0.923 -4.561 10.765 1.00 0.00 H new ATOM 1998 N ASP B 672 2.886 -2.957 9.919 1.00 0.00 N ATOM 1999 CA ASP B 672 3.665 -3.305 8.737 1.00 0.00 C ATOM 2000 C ASP B 672 3.973 -4.798 8.701 1.00 0.00 C ATOM 2001 O ASP B 672 4.738 -5.304 9.524 1.00 0.00 O ATOM 2002 CB ASP B 672 4.968 -2.504 8.708 1.00 0.00 C ATOM 2003 CG ASP B 672 5.855 -2.798 9.902 1.00 0.00 C ATOM 2004 OD1 ASP B 672 5.695 -2.123 10.942 1.00 0.00 O ATOM 2005 OD2 ASP B 672 6.708 -3.704 9.799 1.00 0.00 O ATOM 0 H ASP B 672 3.425 -2.517 10.665 1.00 0.00 H new ATOM 0 HA ASP B 672 3.071 -3.057 7.858 1.00 0.00 H new ATOM 0 HB2 ASP B 672 5.511 -2.732 7.791 1.00 0.00 H new ATOM 0 HB3 ASP B 672 4.736 -1.439 8.685 1.00 0.00 H new ATOM 2010 N VAL B 673 3.377 -5.501 7.742 1.00 0.00 N ATOM 2011 CA VAL B 673 3.594 -6.936 7.601 1.00 0.00 C ATOM 2012 C VAL B 673 5.078 -7.242 7.388 1.00 0.00 C ATOM 2013 O VAL B 673 5.717 -6.660 6.512 1.00 0.00 O ATOM 2014 CB VAL B 673 2.783 -7.521 6.427 1.00 0.00 C ATOM 2015 CG1 VAL B 673 1.293 -7.465 6.723 1.00 0.00 C ATOM 2016 CG2 VAL B 673 3.103 -6.790 5.133 1.00 0.00 C ATOM 0 H VAL B 673 2.741 -5.100 7.052 1.00 0.00 H new ATOM 0 HA VAL B 673 3.254 -7.402 8.526 1.00 0.00 H new ATOM 0 HB VAL B 673 3.067 -8.566 6.305 1.00 0.00 H new ATOM 0 HG11 VAL B 673 0.739 -7.882 5.882 1.00 0.00 H new ATOM 0 HG12 VAL B 673 1.079 -8.043 7.622 1.00 0.00 H new ATOM 0 HG13 VAL B 673 0.991 -6.429 6.878 1.00 0.00 H new ATOM 0 HG21 VAL B 673 2.520 -7.220 4.319 1.00 0.00 H new ATOM 0 HG22 VAL B 673 2.854 -5.734 5.240 1.00 0.00 H new ATOM 0 HG23 VAL B 673 4.165 -6.891 4.911 1.00 0.00 H new ATOM 2026 N PRO B 674 5.649 -8.159 8.192 1.00 0.00 N ATOM 2027 CA PRO B 674 7.065 -8.529 8.085 1.00 0.00 C ATOM 2028 C PRO B 674 7.474 -8.894 6.662 1.00 0.00 C ATOM 2029 O PRO B 674 6.778 -9.641 5.976 1.00 0.00 O ATOM 2030 CB PRO B 674 7.182 -9.748 9.002 1.00 0.00 C ATOM 2031 CG PRO B 674 6.092 -9.574 10.001 1.00 0.00 C ATOM 2032 CD PRO B 674 4.965 -8.900 9.270 1.00 0.00 C ATOM 0 HA PRO B 674 7.719 -7.702 8.360 1.00 0.00 H new ATOM 0 HB2 PRO B 674 7.063 -10.677 8.444 1.00 0.00 H new ATOM 0 HB3 PRO B 674 8.159 -9.789 9.484 1.00 0.00 H new ATOM 0 HG2 PRO B 674 5.775 -10.536 10.405 1.00 0.00 H new ATOM 0 HG3 PRO B 674 6.428 -8.969 10.844 1.00 0.00 H new ATOM 0 HD2 PRO B 674 4.255 -9.624 8.871 1.00 0.00 H new ATOM 0 HD3 PRO B 674 4.405 -8.232 9.924 1.00 0.00 H new ATOM 2040 N THR B 675 8.614 -8.364 6.228 1.00 0.00 N ATOM 2041 CA THR B 675 9.128 -8.634 4.890 1.00 0.00 C ATOM 2042 C THR B 675 10.447 -9.398 4.966 1.00 0.00 C ATOM 2043 O THR B 675 11.438 -8.892 5.494 1.00 0.00 O ATOM 2044 CB THR B 675 9.321 -7.327 4.121 1.00 0.00 C ATOM 2045 OG1 THR B 675 9.646 -6.268 5.005 1.00 0.00 O ATOM 2046 CG2 THR B 675 8.096 -6.909 3.335 1.00 0.00 C ATOM 0 H THR B 675 9.200 -7.743 6.786 1.00 0.00 H new ATOM 0 HA THR B 675 8.400 -9.249 4.361 1.00 0.00 H new ATOM 0 HB THR B 675 10.134 -7.521 3.421 1.00 0.00 H new ATOM 0 HG1 THR B 675 9.767 -5.441 4.494 1.00 0.00 H new ATOM 0 HG21 THR B 675 8.300 -5.974 2.813 1.00 0.00 H new ATOM 0 HG22 THR B 675 7.848 -7.683 2.609 1.00 0.00 H new ATOM 0 HG23 THR B 675 7.257 -6.768 4.016 1.00 0.00 H new ATOM 2054 N LYS B 676 10.450 -10.618 4.441 1.00 0.00 N ATOM 2055 CA LYS B 676 11.646 -11.453 4.454 1.00 0.00 C ATOM 2056 C LYS B 676 12.775 -10.804 3.660 1.00 0.00 C ATOM 2057 O LYS B 676 12.614 -10.479 2.483 1.00 0.00 O ATOM 2058 CB LYS B 676 11.332 -12.838 3.883 1.00 0.00 C ATOM 2059 CG LYS B 676 11.210 -13.920 4.945 1.00 0.00 C ATOM 2060 CD LYS B 676 12.574 -14.351 5.459 1.00 0.00 C ATOM 2061 CE LYS B 676 12.914 -13.670 6.776 1.00 0.00 C ATOM 2062 NZ LYS B 676 14.002 -14.379 7.503 1.00 0.00 N ATOM 0 H LYS B 676 9.638 -11.051 4.001 1.00 0.00 H new ATOM 0 HA LYS B 676 11.972 -11.560 5.488 1.00 0.00 H new ATOM 0 HB2 LYS B 676 10.400 -12.787 3.319 1.00 0.00 H new ATOM 0 HB3 LYS B 676 12.116 -13.118 3.179 1.00 0.00 H new ATOM 0 HG2 LYS B 676 10.607 -13.551 5.775 1.00 0.00 H new ATOM 0 HG3 LYS B 676 10.687 -14.782 4.530 1.00 0.00 H new ATOM 0 HD2 LYS B 676 12.588 -15.433 5.593 1.00 0.00 H new ATOM 0 HD3 LYS B 676 13.336 -14.112 4.717 1.00 0.00 H new ATOM 0 HE2 LYS B 676 13.216 -12.640 6.585 1.00 0.00 H new ATOM 0 HE3 LYS B 676 12.024 -13.630 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 13.725 -14.514 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 14.168 -15.306 7.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 14.874 -13.814 7.460 1.00 0.00 H new ATOM 2076 N SER B 677 13.920 -10.619 4.311 1.00 0.00 N ATOM 2077 CA SER B 677 15.077 -10.010 3.666 1.00 0.00 C ATOM 2078 C SER B 677 16.369 -10.665 4.134 1.00 0.00 C ATOM 2079 O SER B 677 16.930 -11.522 3.450 1.00 0.00 O ATOM 2080 CB SER B 677 15.112 -8.506 3.949 1.00 0.00 C ATOM 2081 OG SER B 677 16.352 -7.942 3.557 1.00 0.00 O ATOM 0 H SER B 677 14.070 -10.882 5.285 1.00 0.00 H new ATOM 0 HA SER B 677 14.987 -10.165 2.591 1.00 0.00 H new ATOM 0 HB2 SER B 677 14.300 -8.013 3.415 1.00 0.00 H new ATOM 0 HB3 SER B 677 14.948 -8.329 5.012 1.00 0.00 H new ATOM 0 HG SER B 677 16.349 -6.981 3.746 1.00 0.00 H new ATOM 2087 N GLN B 678 16.834 -10.253 5.302 1.00 0.00 N ATOM 2088 CA GLN B 678 18.062 -10.792 5.874 1.00 0.00 C ATOM 2089 C GLN B 678 17.766 -11.996 6.764 1.00 0.00 C ATOM 2090 O GLN B 678 16.613 -12.260 7.104 1.00 0.00 O ATOM 2091 CB GLN B 678 18.789 -9.715 6.681 1.00 0.00 C ATOM 2092 CG GLN B 678 20.303 -9.798 6.581 1.00 0.00 C ATOM 2093 CD GLN B 678 20.977 -8.460 6.814 1.00 0.00 C ATOM 2094 OE1 GLN B 678 20.902 -7.896 7.907 1.00 0.00 O ATOM 2095 NE2 GLN B 678 21.641 -7.943 5.787 1.00 0.00 N ATOM 0 H GLN B 678 16.379 -9.544 5.877 1.00 0.00 H new ATOM 0 HA GLN B 678 18.702 -11.117 5.054 1.00 0.00 H new ATOM 0 HB2 GLN B 678 18.464 -8.733 6.337 1.00 0.00 H new ATOM 0 HB3 GLN B 678 18.497 -9.798 7.728 1.00 0.00 H new ATOM 0 HG2 GLN B 678 20.673 -10.519 7.310 1.00 0.00 H new ATOM 0 HG3 GLN B 678 20.578 -10.173 5.595 1.00 0.00 H new ATOM 0 HE21 GLN B 678 21.678 -8.444 4.899 1.00 0.00 H new ATOM 0 HE22 GLN B 678 22.114 -7.045 5.886 1.00 0.00 H new ATOM 2104 N ILE B 679 18.815 -12.722 7.137 1.00 0.00 N ATOM 2105 CA ILE B 679 18.668 -13.897 7.986 1.00 0.00 C ATOM 2106 C ILE B 679 19.767 -13.954 9.041 1.00 0.00 C ATOM 2107 O ILE B 679 20.183 -15.033 9.461 1.00 0.00 O ATOM 2108 CB ILE B 679 18.698 -15.196 7.160 1.00 0.00 C ATOM 2109 CG1 ILE B 679 19.954 -15.242 6.287 1.00 0.00 C ATOM 2110 CG2 ILE B 679 17.446 -15.309 6.303 1.00 0.00 C ATOM 2111 CD1 ILE B 679 21.114 -15.966 6.935 1.00 0.00 C ATOM 0 H ILE B 679 19.776 -12.517 6.864 1.00 0.00 H new ATOM 0 HA ILE B 679 17.699 -13.811 8.478 1.00 0.00 H new ATOM 0 HB ILE B 679 18.723 -16.044 7.845 1.00 0.00 H new ATOM 0 HG12 ILE B 679 19.713 -15.731 5.343 1.00 0.00 H new ATOM 0 HG13 ILE B 679 20.259 -14.223 6.050 1.00 0.00 H new ATOM 0 HG21 ILE B 679 17.483 -16.233 5.725 1.00 0.00 H new ATOM 0 HG22 ILE B 679 16.565 -15.317 6.945 1.00 0.00 H new ATOM 0 HG23 ILE B 679 17.392 -14.458 5.624 1.00 0.00 H new ATOM 0 HD11 ILE B 679 21.970 -15.960 6.260 1.00 0.00 H new ATOM 0 HD12 ILE B 679 21.382 -15.465 7.865 1.00 0.00 H new ATOM 0 HD13 ILE B 679 20.827 -16.996 7.148 1.00 0.00 H new ATOM 2123 N SER B 680 20.233 -12.784 9.466 1.00 0.00 N ATOM 2124 CA SER B 680 21.285 -12.701 10.473 1.00 0.00 C ATOM 2125 C SER B 680 21.371 -11.293 11.054 1.00 0.00 C ATOM 2126 O SER B 680 20.380 -10.543 10.935 1.00 0.00 O ATOM 2127 CB SER B 680 22.632 -13.099 9.867 1.00 0.00 C ATOM 2128 OG SER B 680 22.810 -12.513 8.589 1.00 0.00 O ATOM 0 H SER B 680 19.899 -11.881 9.129 1.00 0.00 H new ATOM 0 HA SER B 680 21.039 -13.393 11.279 1.00 0.00 H new ATOM 0 HB2 SER B 680 23.439 -12.786 10.530 1.00 0.00 H new ATOM 0 HB3 SER B 680 22.690 -14.184 9.784 1.00 0.00 H new ATOM 0 HG SER B 680 23.679 -12.782 8.224 1.00 0.00 H new TER 2134 SER B 680