USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 61 SER OG : rot 150:sc= -0.701 USER MOD Set 1.2: A 92 SER OG : rot 161:sc= 1.73 USER MOD Set 2.1: A 29 THR OG1 : rot 65:sc= 1.18 USER MOD Set 2.2: A 43 TYR OH : rot -1:sc= -3.61! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0912 K(o=-0.091,f=-1.4!) USER MOD Single : A 20 MET CE :methyl -157:sc= -0.357 (180deg=-1.17) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 101:sc= -2.75! USER MOD Single : A 32 CYS SG : rot 89:sc= 0.174 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 79:sc= 0.507 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.64) USER MOD Single : A 45 ASN : amide:sc= -0.0028 K(o=-0.0028,f=-2.7!) USER MOD Single : A 48 ASN : amide:sc=-0.000199 X(o=-0.0002,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -38:sc= 1.15 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 76:sc= 1.05 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0573 K(o=-0.057,f=-1.6) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= 1.28 (180deg=1.17) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.949 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 95 THR OG1 : rot -82:sc= -0.077 USER MOD Single : A 96 SER OG : rot -107:sc= -0.61 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.848 -33.672 -16.793 1.00 0.00 N ATOM 2 CA GLY A 1 -16.062 -32.722 -17.627 1.00 0.00 C ATOM 3 C GLY A 1 -16.310 -31.275 -17.247 1.00 0.00 C ATOM 4 O GLY A 1 -16.664 -30.456 -18.096 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.644 -34.647 -17.092 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.587 -33.554 -15.793 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.863 -33.479 -16.911 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.000 -32.945 -17.523 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.317 -32.868 -18.677 1.00 0.00 H new ATOM 10 N ILE A 2 -16.125 -30.961 -15.971 1.00 0.00 N ATOM 11 CA ILE A 2 -16.331 -29.603 -15.479 1.00 0.00 C ATOM 12 C ILE A 2 -15.003 -28.940 -15.119 1.00 0.00 C ATOM 13 O ILE A 2 -14.469 -29.157 -14.031 1.00 0.00 O ATOM 14 CB ILE A 2 -17.252 -29.584 -14.242 1.00 0.00 C ATOM 15 CG1 ILE A 2 -16.870 -30.702 -13.271 1.00 0.00 C ATOM 16 CG2 ILE A 2 -18.708 -29.717 -14.665 1.00 0.00 C ATOM 17 CD1 ILE A 2 -17.501 -30.555 -11.903 1.00 0.00 C ATOM 0 H ILE A 2 -15.833 -31.628 -15.257 1.00 0.00 H new ATOM 0 HA ILE A 2 -16.807 -29.045 -16.286 1.00 0.00 H new ATOM 0 HB ILE A 2 -17.126 -28.630 -13.731 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -17.166 -31.660 -13.698 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -15.786 -30.723 -13.162 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -19.346 -29.702 -13.782 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -18.974 -28.887 -15.319 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -18.848 -30.658 -15.198 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -17.187 -31.382 -11.267 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -17.185 -29.613 -11.456 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -18.587 -30.564 -12.000 1.00 0.00 H new ATOM 29 N PRO A 3 -14.448 -28.118 -16.028 1.00 0.00 N ATOM 30 CA PRO A 3 -13.176 -27.427 -15.792 1.00 0.00 C ATOM 31 C PRO A 3 -13.285 -26.375 -14.693 1.00 0.00 C ATOM 32 O PRO A 3 -14.309 -26.272 -14.019 1.00 0.00 O ATOM 33 CB PRO A 3 -12.870 -26.765 -17.138 1.00 0.00 C ATOM 34 CG PRO A 3 -14.194 -26.621 -17.803 1.00 0.00 C ATOM 35 CD PRO A 3 -15.013 -27.798 -17.352 1.00 0.00 C ATOM 0 HA PRO A 3 -12.398 -28.112 -15.456 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.389 -25.797 -17.002 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.193 -27.376 -17.734 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.672 -25.682 -17.522 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.087 -26.612 -18.888 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.072 -27.550 -17.288 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.924 -28.638 -18.041 1.00 0.00 H new ATOM 43 N GLU A 4 -12.222 -25.596 -14.518 1.00 0.00 N ATOM 44 CA GLU A 4 -12.200 -24.552 -13.500 1.00 0.00 C ATOM 45 C GLU A 4 -11.954 -23.183 -14.129 1.00 0.00 C ATOM 46 O GLU A 4 -11.067 -23.025 -14.968 1.00 0.00 O ATOM 47 CB GLU A 4 -11.120 -24.853 -12.457 1.00 0.00 C ATOM 48 CG GLU A 4 -11.644 -24.878 -11.031 1.00 0.00 C ATOM 49 CD GLU A 4 -12.707 -25.937 -10.819 1.00 0.00 C ATOM 50 OE1 GLU A 4 -12.344 -27.085 -10.489 1.00 0.00 O ATOM 51 OE2 GLU A 4 -13.905 -25.617 -10.981 1.00 0.00 O ATOM 0 H GLU A 4 -11.366 -25.668 -15.067 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.173 -24.534 -13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.664 -25.817 -12.685 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.333 -24.102 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.815 -25.058 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.056 -23.900 -10.782 1.00 0.00 H new ATOM 58 N PHE A 5 -12.745 -22.198 -13.717 1.00 0.00 N ATOM 59 CA PHE A 5 -12.613 -20.843 -14.239 1.00 0.00 C ATOM 60 C PHE A 5 -12.458 -19.836 -13.103 1.00 0.00 C ATOM 61 O PHE A 5 -13.005 -20.023 -12.016 1.00 0.00 O ATOM 62 CB PHE A 5 -13.830 -20.481 -15.092 1.00 0.00 C ATOM 63 CG PHE A 5 -13.751 -20.998 -16.501 1.00 0.00 C ATOM 64 CD1 PHE A 5 -12.887 -20.420 -17.417 1.00 0.00 C ATOM 65 CD2 PHE A 5 -14.539 -22.062 -16.908 1.00 0.00 C ATOM 66 CE1 PHE A 5 -12.812 -20.893 -18.714 1.00 0.00 C ATOM 67 CE2 PHE A 5 -14.468 -22.540 -18.202 1.00 0.00 C ATOM 68 CZ PHE A 5 -13.604 -21.954 -19.106 1.00 0.00 C ATOM 0 H PHE A 5 -13.484 -22.313 -13.023 1.00 0.00 H new ATOM 0 HA PHE A 5 -11.718 -20.806 -14.860 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -14.727 -20.878 -14.618 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -13.936 -19.396 -15.117 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -12.265 -19.591 -17.114 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -15.217 -22.523 -16.205 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -12.135 -20.434 -19.419 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -15.087 -23.371 -18.506 1.00 0.00 H new ATOM 0 HZ PHE A 5 -13.548 -22.325 -20.119 1.00 0.00 H new ATOM 78 N LYS A 6 -11.709 -18.770 -13.363 1.00 0.00 N ATOM 79 CA LYS A 6 -11.482 -17.733 -12.361 1.00 0.00 C ATOM 80 C LYS A 6 -12.794 -17.065 -11.963 1.00 0.00 C ATOM 81 O LYS A 6 -13.654 -16.812 -12.807 1.00 0.00 O ATOM 82 CB LYS A 6 -10.502 -16.685 -12.893 1.00 0.00 C ATOM 83 CG LYS A 6 -9.164 -17.266 -13.319 1.00 0.00 C ATOM 84 CD LYS A 6 -9.006 -17.260 -14.831 1.00 0.00 C ATOM 85 CE LYS A 6 -8.597 -15.888 -15.343 1.00 0.00 C ATOM 86 NZ LYS A 6 -7.133 -15.805 -15.601 1.00 0.00 N ATOM 0 H LYS A 6 -11.249 -18.601 -14.257 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.053 -18.205 -11.477 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.955 -16.175 -13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.333 -15.933 -12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.356 -16.691 -12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.075 -18.287 -12.948 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.257 -17.996 -15.123 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.945 -17.558 -15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.141 -15.667 -16.261 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.881 -15.129 -14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.895 -14.854 -15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.614 -15.991 -14.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.866 -16.512 -16.316 1.00 0.00 H new ATOM 100 N GLN A 7 -12.940 -16.779 -10.674 1.00 0.00 N ATOM 101 CA GLN A 7 -14.147 -16.139 -10.165 1.00 0.00 C ATOM 102 C GLN A 7 -14.078 -14.626 -10.344 1.00 0.00 C ATOM 103 O GLN A 7 -13.117 -13.984 -9.918 1.00 0.00 O ATOM 104 CB GLN A 7 -14.346 -16.480 -8.686 1.00 0.00 C ATOM 105 CG GLN A 7 -14.395 -17.974 -8.409 1.00 0.00 C ATOM 106 CD GLN A 7 -15.510 -18.354 -7.455 1.00 0.00 C ATOM 107 OE1 GLN A 7 -16.561 -18.841 -7.872 1.00 0.00 O ATOM 108 NE2 GLN A 7 -15.285 -18.132 -6.164 1.00 0.00 N ATOM 0 H GLN A 7 -12.237 -16.980 -9.963 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.996 -16.516 -10.736 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.535 -16.038 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.272 -16.023 -8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.528 -18.510 -9.349 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.440 -18.294 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.399 -17.726 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.999 -18.367 -5.474 1.00 0.00 H new ATOM 117 N LYS A 8 -15.101 -14.063 -10.978 1.00 0.00 N ATOM 118 CA LYS A 8 -15.156 -12.624 -11.214 1.00 0.00 C ATOM 119 C LYS A 8 -15.186 -11.858 -9.894 1.00 0.00 C ATOM 120 O LYS A 8 -15.244 -12.454 -8.819 1.00 0.00 O ATOM 121 CB LYS A 8 -16.387 -12.269 -12.051 1.00 0.00 C ATOM 122 CG LYS A 8 -16.523 -13.102 -13.314 1.00 0.00 C ATOM 123 CD LYS A 8 -17.198 -12.318 -14.429 1.00 0.00 C ATOM 124 CE LYS A 8 -16.187 -11.801 -15.442 1.00 0.00 C ATOM 125 NZ LYS A 8 -16.348 -12.453 -16.771 1.00 0.00 N ATOM 0 H LYS A 8 -15.903 -14.580 -11.338 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.258 -12.336 -11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.281 -12.400 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.339 -11.215 -12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.537 -13.429 -13.643 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.101 -14.000 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.926 -12.954 -14.933 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.749 -11.479 -14.003 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.301 -10.722 -15.551 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.178 -11.979 -15.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.641 -12.073 -17.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.214 -13.480 -16.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.302 -12.262 -17.138 1.00 0.00 H new ATOM 139 N ALA A 9 -15.148 -10.533 -9.986 1.00 0.00 N ATOM 140 CA ALA A 9 -15.171 -9.684 -8.799 1.00 0.00 C ATOM 141 C ALA A 9 -15.506 -8.241 -9.162 1.00 0.00 C ATOM 142 O ALA A 9 -14.622 -7.457 -9.507 1.00 0.00 O ATOM 143 CB ALA A 9 -13.834 -9.752 -8.076 1.00 0.00 C ATOM 0 H ALA A 9 -15.101 -10.024 -10.869 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.951 -10.054 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.865 -9.114 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.635 -10.780 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.042 -9.410 -8.743 1.00 0.00 H new ATOM 149 N LEU A 10 -16.787 -7.898 -9.083 1.00 0.00 N ATOM 150 CA LEU A 10 -17.237 -6.549 -9.402 1.00 0.00 C ATOM 151 C LEU A 10 -17.375 -5.708 -8.138 1.00 0.00 C ATOM 152 O LEU A 10 -17.390 -6.236 -7.027 1.00 0.00 O ATOM 153 CB LEU A 10 -18.575 -6.597 -10.147 1.00 0.00 C ATOM 154 CG LEU A 10 -18.466 -6.593 -11.672 1.00 0.00 C ATOM 155 CD1 LEU A 10 -19.810 -6.927 -12.303 1.00 0.00 C ATOM 156 CD2 LEU A 10 -17.963 -5.245 -12.166 1.00 0.00 C ATOM 0 H LEU A 10 -17.532 -8.536 -8.801 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.488 -6.086 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -19.113 -7.493 -9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -19.176 -5.742 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.748 -7.357 -11.969 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.714 -6.920 -13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -20.131 -7.915 -11.974 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -20.549 -6.186 -11.999 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -17.891 -5.260 -13.254 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.657 -4.463 -11.859 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.980 -5.045 -11.740 1.00 0.00 H new ATOM 168 N VAL A 11 -17.474 -4.394 -8.315 1.00 0.00 N ATOM 169 CA VAL A 11 -17.611 -3.478 -7.188 1.00 0.00 C ATOM 170 C VAL A 11 -18.974 -2.796 -7.196 1.00 0.00 C ATOM 171 O VAL A 11 -19.529 -2.507 -8.257 1.00 0.00 O ATOM 172 CB VAL A 11 -16.510 -2.401 -7.204 1.00 0.00 C ATOM 173 CG1 VAL A 11 -15.152 -3.018 -6.906 1.00 0.00 C ATOM 174 CG2 VAL A 11 -16.492 -1.676 -8.541 1.00 0.00 C ATOM 0 H VAL A 11 -17.462 -3.940 -9.228 1.00 0.00 H new ATOM 0 HA VAL A 11 -17.513 -4.075 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 11 -16.730 -1.672 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.388 -2.241 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.173 -3.486 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.921 -3.770 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -15.708 -0.919 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.298 -2.391 -9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.457 -1.197 -8.708 1.00 0.00 H new ATOM 184 N ALA A 12 -19.509 -2.542 -6.006 1.00 0.00 N ATOM 185 CA ALA A 12 -20.808 -1.894 -5.875 1.00 0.00 C ATOM 186 C ALA A 12 -20.900 -1.108 -4.571 1.00 0.00 C ATOM 187 O ALA A 12 -21.299 0.055 -4.562 1.00 0.00 O ATOM 188 CB ALA A 12 -21.922 -2.926 -5.951 1.00 0.00 C ATOM 0 H ALA A 12 -19.063 -2.775 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.921 -1.192 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.887 -2.428 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.876 -3.441 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -21.803 -3.650 -5.145 1.00 0.00 H new ATOM 194 N LYS A 13 -20.525 -1.753 -3.470 1.00 0.00 N ATOM 195 CA LYS A 13 -20.565 -1.116 -2.160 1.00 0.00 C ATOM 196 C LYS A 13 -19.158 -0.770 -1.681 1.00 0.00 C ATOM 197 O LYS A 13 -18.177 -1.371 -2.121 1.00 0.00 O ATOM 198 CB LYS A 13 -21.251 -2.031 -1.145 1.00 0.00 C ATOM 199 CG LYS A 13 -21.744 -1.304 0.095 1.00 0.00 C ATOM 200 CD LYS A 13 -22.890 -0.360 -0.228 1.00 0.00 C ATOM 201 CE LYS A 13 -22.766 0.950 0.530 1.00 0.00 C ATOM 202 NZ LYS A 13 -23.609 0.964 1.758 1.00 0.00 N ATOM 0 H LYS A 13 -20.190 -2.716 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.137 -0.192 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -22.095 -2.525 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.554 -2.813 -0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.070 -2.031 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -20.922 -0.741 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.907 -0.161 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.837 -0.838 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.724 1.114 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.058 1.775 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.496 1.875 2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.607 0.833 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -23.314 0.193 2.391 1.00 0.00 H new ATOM 216 N VAL A 14 -19.067 0.200 -0.779 1.00 0.00 N ATOM 217 CA VAL A 14 -17.779 0.624 -0.241 1.00 0.00 C ATOM 218 C VAL A 14 -17.452 -0.115 1.054 1.00 0.00 C ATOM 219 O VAL A 14 -17.009 0.486 2.032 1.00 0.00 O ATOM 220 CB VAL A 14 -17.753 2.144 0.023 1.00 0.00 C ATOM 221 CG1 VAL A 14 -17.940 2.914 -1.276 1.00 0.00 C ATOM 222 CG2 VAL A 14 -18.817 2.531 1.042 1.00 0.00 C ATOM 0 H VAL A 14 -19.869 0.708 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 14 -17.027 0.381 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 14 -16.779 2.405 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.919 3.984 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.136 2.661 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -18.899 2.649 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -18.782 3.607 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -19.801 2.256 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -18.630 2.007 1.980 1.00 0.00 H new ATOM 232 N SER A 15 -17.673 -1.427 1.051 1.00 0.00 N ATOM 233 CA SER A 15 -17.400 -2.249 2.224 1.00 0.00 C ATOM 234 C SER A 15 -16.112 -3.047 2.042 1.00 0.00 C ATOM 235 O SER A 15 -15.326 -3.197 2.975 1.00 0.00 O ATOM 236 CB SER A 15 -18.569 -3.201 2.488 1.00 0.00 C ATOM 237 OG SER A 15 -18.871 -3.971 1.337 1.00 0.00 O ATOM 0 H SER A 15 -18.040 -1.942 0.250 1.00 0.00 H new ATOM 0 HA SER A 15 -17.278 -1.586 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.322 -3.863 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 15 -19.447 -2.629 2.787 1.00 0.00 H new ATOM 0 HG SER A 15 -19.620 -4.572 1.533 1.00 0.00 H new ATOM 243 N GLN A 16 -15.904 -3.554 0.831 1.00 0.00 N ATOM 244 CA GLN A 16 -14.711 -4.336 0.524 1.00 0.00 C ATOM 245 C GLN A 16 -13.466 -3.457 0.550 1.00 0.00 C ATOM 246 O GLN A 16 -12.393 -3.894 0.963 1.00 0.00 O ATOM 247 CB GLN A 16 -14.851 -5.004 -0.845 1.00 0.00 C ATOM 248 CG GLN A 16 -15.664 -6.287 -0.816 1.00 0.00 C ATOM 249 CD GLN A 16 -16.419 -6.529 -2.110 1.00 0.00 C ATOM 250 OE1 GLN A 16 -16.192 -5.849 -3.111 1.00 0.00 O ATOM 251 NE2 GLN A 16 -17.322 -7.501 -2.095 1.00 0.00 N ATOM 0 H GLN A 16 -16.545 -3.438 0.047 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.606 -5.108 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.319 -4.303 -1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.857 -5.222 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.000 -7.130 -0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.372 -6.245 0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.477 -8.040 -1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.861 -7.710 -2.936 1.00 0.00 H new ATOM 260 N ARG A 17 -13.617 -2.213 0.106 1.00 0.00 N ATOM 261 CA ARG A 17 -12.505 -1.270 0.078 1.00 0.00 C ATOM 262 C ARG A 17 -11.957 -1.032 1.481 1.00 0.00 C ATOM 263 O ARG A 17 -10.750 -1.119 1.710 1.00 0.00 O ATOM 264 CB ARG A 17 -12.952 0.057 -0.543 1.00 0.00 C ATOM 265 CG ARG A 17 -12.251 0.381 -1.853 1.00 0.00 C ATOM 266 CD ARG A 17 -13.129 1.231 -2.757 1.00 0.00 C ATOM 267 NE ARG A 17 -13.346 2.568 -2.211 1.00 0.00 N ATOM 268 CZ ARG A 17 -12.455 3.555 -2.289 1.00 0.00 C ATOM 269 NH1 ARG A 17 -11.287 3.357 -2.889 1.00 0.00 N ATOM 270 NH2 ARG A 17 -12.734 4.742 -1.766 1.00 0.00 N ATOM 0 H ARG A 17 -14.499 -1.835 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.711 -1.700 -0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.028 0.025 -0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.767 0.862 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.319 0.908 -1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.988 -0.545 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.665 1.312 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.090 0.737 -2.898 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.232 2.757 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.069 2.446 -3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.608 4.116 -2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.630 4.898 -1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.052 5.498 -1.825 1.00 0.00 H new ATOM 284 N GLU A 18 -12.851 -0.732 2.418 1.00 0.00 N ATOM 285 CA GLU A 18 -12.458 -0.482 3.799 1.00 0.00 C ATOM 286 C GLU A 18 -11.750 -1.694 4.394 1.00 0.00 C ATOM 287 O GLU A 18 -10.886 -1.558 5.261 1.00 0.00 O ATOM 288 CB GLU A 18 -13.684 -0.124 4.644 1.00 0.00 C ATOM 289 CG GLU A 18 -13.926 1.371 4.763 1.00 0.00 C ATOM 290 CD GLU A 18 -15.366 1.704 5.101 1.00 0.00 C ATOM 291 OE1 GLU A 18 -16.082 0.808 5.598 1.00 0.00 O ATOM 292 OE2 GLU A 18 -15.779 2.859 4.870 1.00 0.00 O ATOM 0 H GLU A 18 -13.853 -0.656 2.245 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.763 0.358 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.566 -0.592 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.562 -0.544 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.272 1.781 5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.656 1.855 3.824 1.00 0.00 H new ATOM 299 N GLU A 19 -12.120 -2.881 3.924 1.00 0.00 N ATOM 300 CA GLU A 19 -11.519 -4.116 4.412 1.00 0.00 C ATOM 301 C GLU A 19 -10.146 -4.338 3.785 1.00 0.00 C ATOM 302 O GLU A 19 -9.263 -4.938 4.398 1.00 0.00 O ATOM 303 CB GLU A 19 -12.431 -5.306 4.107 1.00 0.00 C ATOM 304 CG GLU A 19 -12.434 -6.365 5.199 1.00 0.00 C ATOM 305 CD GLU A 19 -11.133 -7.142 5.260 1.00 0.00 C ATOM 306 OE1 GLU A 19 -10.851 -7.902 4.311 1.00 0.00 O ATOM 307 OE2 GLU A 19 -10.397 -6.990 6.258 1.00 0.00 O ATOM 0 H GLU A 19 -12.833 -3.013 3.206 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.395 -4.029 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.449 -4.945 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.116 -5.764 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.614 -5.888 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.259 -7.057 5.027 1.00 0.00 H new ATOM 314 N MET A 20 -9.973 -3.851 2.562 1.00 0.00 N ATOM 315 CA MET A 20 -8.707 -3.997 1.853 1.00 0.00 C ATOM 316 C MET A 20 -7.647 -3.067 2.435 1.00 0.00 C ATOM 317 O MET A 20 -6.521 -3.487 2.706 1.00 0.00 O ATOM 318 CB MET A 20 -8.893 -3.708 0.363 1.00 0.00 C ATOM 319 CG MET A 20 -9.641 -4.803 -0.381 1.00 0.00 C ATOM 320 SD MET A 20 -8.787 -6.389 -0.321 1.00 0.00 S ATOM 321 CE MET A 20 -7.105 -5.883 -0.672 1.00 0.00 C ATOM 0 H MET A 20 -10.693 -3.352 2.040 1.00 0.00 H new ATOM 0 HA MET A 20 -8.369 -5.026 1.975 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.433 -2.768 0.248 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.914 -3.571 -0.097 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.637 -4.914 0.048 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.774 -4.505 -1.421 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.545 -6.730 -1.068 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.113 -5.078 -1.407 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.632 -5.532 0.245 1.00 0.00 H new ATOM 331 N VAL A 21 -8.012 -1.803 2.627 1.00 0.00 N ATOM 332 CA VAL A 21 -7.086 -0.819 3.180 1.00 0.00 C ATOM 333 C VAL A 21 -6.582 -1.255 4.550 1.00 0.00 C ATOM 334 O VAL A 21 -5.398 -1.121 4.860 1.00 0.00 O ATOM 335 CB VAL A 21 -7.739 0.573 3.298 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.279 1.023 1.954 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.844 0.571 4.345 1.00 0.00 C ATOM 0 H VAL A 21 -8.939 -1.436 2.409 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.245 -0.753 2.489 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.973 1.279 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.736 2.007 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.463 1.075 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.026 0.310 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.288 1.565 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.610 -0.151 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.426 0.298 5.314 1.00 0.00 H new ATOM 347 N LYS A 22 -7.488 -1.782 5.365 1.00 0.00 N ATOM 348 CA LYS A 22 -7.128 -2.241 6.699 1.00 0.00 C ATOM 349 C LYS A 22 -6.091 -3.354 6.620 1.00 0.00 C ATOM 350 O LYS A 22 -5.145 -3.399 7.407 1.00 0.00 O ATOM 351 CB LYS A 22 -8.368 -2.733 7.449 1.00 0.00 C ATOM 352 CG LYS A 22 -9.439 -1.668 7.618 1.00 0.00 C ATOM 353 CD LYS A 22 -9.259 -0.900 8.917 1.00 0.00 C ATOM 354 CE LYS A 22 -8.550 0.425 8.686 1.00 0.00 C ATOM 355 NZ LYS A 22 -8.099 1.043 9.963 1.00 0.00 N ATOM 0 H LYS A 22 -8.472 -1.901 5.126 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.698 -1.401 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.793 -3.582 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.068 -3.094 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.402 -0.976 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.424 -2.135 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.233 -0.719 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.686 -1.503 9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.690 0.268 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.221 1.110 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.620 1.944 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.922 1.217 10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.439 0.400 10.445 1.00 0.00 H new ATOM 369 N LYS A 23 -6.274 -4.250 5.653 1.00 0.00 N ATOM 370 CA LYS A 23 -5.354 -5.364 5.457 1.00 0.00 C ATOM 371 C LYS A 23 -3.945 -4.853 5.176 1.00 0.00 C ATOM 372 O LYS A 23 -2.959 -5.503 5.519 1.00 0.00 O ATOM 373 CB LYS A 23 -5.830 -6.252 4.306 1.00 0.00 C ATOM 374 CG LYS A 23 -6.653 -7.447 4.761 1.00 0.00 C ATOM 375 CD LYS A 23 -7.842 -7.688 3.843 1.00 0.00 C ATOM 376 CE LYS A 23 -7.462 -8.560 2.657 1.00 0.00 C ATOM 377 NZ LYS A 23 -7.720 -10.002 2.922 1.00 0.00 N ATOM 0 H LYS A 23 -7.052 -4.225 4.994 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.333 -5.956 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.425 -5.652 3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.963 -6.609 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.023 -8.336 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.006 -7.281 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.646 -8.165 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.226 -6.733 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.027 -8.246 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.407 -8.417 2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.448 -10.562 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.161 -10.309 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.731 -10.143 3.119 1.00 0.00 H new ATOM 391 N CYS A 24 -3.859 -3.682 4.552 1.00 0.00 N ATOM 392 CA CYS A 24 -2.570 -3.084 4.229 1.00 0.00 C ATOM 393 C CYS A 24 -1.843 -2.665 5.502 1.00 0.00 C ATOM 394 O CYS A 24 -0.619 -2.752 5.586 1.00 0.00 O ATOM 395 CB CYS A 24 -2.756 -1.876 3.302 1.00 0.00 C ATOM 396 SG CYS A 24 -1.263 -0.883 3.056 1.00 0.00 S ATOM 0 H CYS A 24 -4.666 -3.130 4.261 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.965 -3.829 3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.107 -2.229 2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.539 -1.237 3.711 1.00 0.00 H new ATOM 0 HG CYS A 24 -0.727 -1.182 1.910 1.00 0.00 H new ATOM 402 N LEU A 25 -2.603 -2.213 6.490 1.00 0.00 N ATOM 403 CA LEU A 25 -2.028 -1.783 7.758 1.00 0.00 C ATOM 404 C LEU A 25 -1.319 -2.943 8.450 1.00 0.00 C ATOM 405 O LEU A 25 -0.218 -2.785 8.978 1.00 0.00 O ATOM 406 CB LEU A 25 -3.115 -1.216 8.670 1.00 0.00 C ATOM 407 CG LEU A 25 -2.619 -0.217 9.717 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.539 0.990 9.784 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.508 -0.884 11.080 1.00 0.00 C ATOM 0 H LEU A 25 -3.619 -2.134 6.438 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.296 -1.002 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.870 -0.729 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.607 -2.043 9.182 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.628 0.126 9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.169 1.688 10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.565 1.482 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.544 0.667 10.054 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.154 -0.159 11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.486 -1.258 11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.804 -1.715 11.022 1.00 0.00 H new ATOM 421 N GLY A 26 -1.958 -4.109 8.443 1.00 0.00 N ATOM 422 CA GLY A 26 -1.375 -5.279 9.076 1.00 0.00 C ATOM 423 C GLY A 26 -0.264 -5.901 8.248 1.00 0.00 C ATOM 424 O GLY A 26 0.794 -6.242 8.775 1.00 0.00 O ATOM 0 H GLY A 26 -2.869 -4.265 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.981 -5.000 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.155 -6.021 9.246 1.00 0.00 H new ATOM 428 N GLU A 27 -0.506 -6.052 6.950 1.00 0.00 N ATOM 429 CA GLU A 27 0.480 -6.641 6.052 1.00 0.00 C ATOM 430 C GLU A 27 1.775 -5.832 6.053 1.00 0.00 C ATOM 431 O GLU A 27 2.863 -6.382 6.222 1.00 0.00 O ATOM 432 CB GLU A 27 -0.083 -6.731 4.630 1.00 0.00 C ATOM 433 CG GLU A 27 -0.277 -8.159 4.145 1.00 0.00 C ATOM 434 CD GLU A 27 -1.719 -8.618 4.250 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.616 -7.855 3.837 1.00 0.00 O ATOM 436 OE2 GLU A 27 -1.949 -9.741 4.746 1.00 0.00 O ATOM 0 H GLU A 27 -1.377 -5.775 6.497 1.00 0.00 H new ATOM 0 HA GLU A 27 0.705 -7.646 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.039 -6.210 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.590 -6.212 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.050 -8.235 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.357 -8.827 4.729 1.00 0.00 H new ATOM 443 N LEU A 28 1.650 -4.522 5.862 1.00 0.00 N ATOM 444 CA LEU A 28 2.813 -3.642 5.840 1.00 0.00 C ATOM 445 C LEU A 28 3.581 -3.714 7.154 1.00 0.00 C ATOM 446 O LEU A 28 4.792 -3.501 7.187 1.00 0.00 O ATOM 447 CB LEU A 28 2.389 -2.200 5.556 1.00 0.00 C ATOM 448 CG LEU A 28 2.248 -1.846 4.073 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.935 -0.368 3.906 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.514 -2.216 3.311 1.00 0.00 C ATOM 0 H LEU A 28 0.758 -4.048 5.721 1.00 0.00 H new ATOM 0 HA LEU A 28 3.472 -3.980 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.436 -2.014 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.119 -1.527 6.007 1.00 0.00 H new ATOM 0 HG LEU A 28 1.420 -2.421 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.838 -0.134 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.001 -0.134 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.742 0.226 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.394 -1.957 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.361 -1.669 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.694 -3.287 3.403 1.00 0.00 H new ATOM 462 N THR A 29 2.875 -4.023 8.238 1.00 0.00 N ATOM 463 CA THR A 29 3.507 -4.129 9.548 1.00 0.00 C ATOM 464 C THR A 29 4.555 -5.235 9.544 1.00 0.00 C ATOM 465 O THR A 29 5.665 -5.055 10.044 1.00 0.00 O ATOM 466 CB THR A 29 2.462 -4.399 10.631 1.00 0.00 C ATOM 467 OG1 THR A 29 1.495 -3.364 10.665 1.00 0.00 O ATOM 468 CG2 THR A 29 3.054 -4.519 12.020 1.00 0.00 C ATOM 0 H THR A 29 1.871 -4.203 8.235 1.00 0.00 H new ATOM 0 HA THR A 29 3.997 -3.181 9.768 1.00 0.00 H new ATOM 0 HB THR A 29 2.010 -5.354 10.363 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.991 -3.360 9.825 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.258 -4.710 12.740 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.768 -5.342 12.041 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.563 -3.591 12.280 1.00 0.00 H new ATOM 476 N GLU A 30 4.195 -6.379 8.971 1.00 0.00 N ATOM 477 CA GLU A 30 5.104 -7.517 8.895 1.00 0.00 C ATOM 478 C GLU A 30 6.368 -7.149 8.127 1.00 0.00 C ATOM 479 O GLU A 30 7.476 -7.242 8.655 1.00 0.00 O ATOM 480 CB GLU A 30 4.413 -8.707 8.225 1.00 0.00 C ATOM 481 CG GLU A 30 3.440 -9.436 9.135 1.00 0.00 C ATOM 482 CD GLU A 30 4.129 -10.111 10.305 1.00 0.00 C ATOM 483 OE1 GLU A 30 4.916 -11.051 10.069 1.00 0.00 O ATOM 484 OE2 GLU A 30 3.882 -9.697 11.458 1.00 0.00 O ATOM 0 H GLU A 30 3.279 -6.543 8.552 1.00 0.00 H new ATOM 0 HA GLU A 30 5.384 -7.796 9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.879 -8.356 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.171 -9.410 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.701 -8.729 9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.898 -10.184 8.556 1.00 0.00 H new ATOM 491 N VAL A 31 6.197 -6.728 6.874 1.00 0.00 N ATOM 492 CA VAL A 31 7.328 -6.343 6.036 1.00 0.00 C ATOM 493 C VAL A 31 8.178 -5.280 6.724 1.00 0.00 C ATOM 494 O VAL A 31 9.399 -5.254 6.574 1.00 0.00 O ATOM 495 CB VAL A 31 6.857 -5.811 4.671 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.897 -4.653 4.860 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.043 -5.395 3.811 1.00 0.00 C ATOM 0 H VAL A 31 5.288 -6.646 6.419 1.00 0.00 H new ATOM 0 HA VAL A 31 7.930 -7.238 5.877 1.00 0.00 H new ATOM 0 HB VAL A 31 6.333 -6.614 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.572 -4.287 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.030 -4.988 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.398 -3.850 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.684 -5.023 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.603 -4.609 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.692 -6.255 3.646 1.00 0.00 H new ATOM 507 N CYS A 32 7.523 -4.409 7.482 1.00 0.00 N ATOM 508 CA CYS A 32 8.215 -3.346 8.198 1.00 0.00 C ATOM 509 C CYS A 32 9.168 -3.930 9.237 1.00 0.00 C ATOM 510 O CYS A 32 10.355 -3.605 9.260 1.00 0.00 O ATOM 511 CB CYS A 32 7.206 -2.419 8.878 1.00 0.00 C ATOM 512 SG CYS A 32 6.567 -1.112 7.804 1.00 0.00 S ATOM 0 H CYS A 32 6.512 -4.419 7.616 1.00 0.00 H new ATOM 0 HA CYS A 32 8.795 -2.770 7.477 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.370 -3.015 9.244 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.677 -1.962 9.748 1.00 0.00 H new ATOM 0 HG CYS A 32 5.518 -1.545 7.170 1.00 0.00 H new ATOM 518 N LYS A 33 8.640 -4.799 10.096 1.00 0.00 N ATOM 519 CA LYS A 33 9.445 -5.432 11.137 1.00 0.00 C ATOM 520 C LYS A 33 10.598 -6.222 10.528 1.00 0.00 C ATOM 521 O LYS A 33 11.753 -6.054 10.916 1.00 0.00 O ATOM 522 CB LYS A 33 8.579 -6.358 11.995 1.00 0.00 C ATOM 523 CG LYS A 33 7.231 -5.762 12.369 1.00 0.00 C ATOM 524 CD LYS A 33 6.890 -6.025 13.827 1.00 0.00 C ATOM 525 CE LYS A 33 5.696 -5.199 14.278 1.00 0.00 C ATOM 526 NZ LYS A 33 5.530 -5.226 15.757 1.00 0.00 N ATOM 0 H LYS A 33 7.660 -5.080 10.092 1.00 0.00 H new ATOM 0 HA LYS A 33 9.857 -4.644 11.768 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.417 -7.291 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.122 -6.607 12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.244 -4.688 12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.455 -6.185 11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.674 -7.084 13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.752 -5.791 14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.821 -4.169 13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.791 -5.580 13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.706 -4.651 16.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.385 -6.206 16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.383 -4.839 16.209 1.00 0.00 H new ATOM 540 N SER A 34 10.273 -7.087 9.570 1.00 0.00 N ATOM 541 CA SER A 34 11.280 -7.906 8.905 1.00 0.00 C ATOM 542 C SER A 34 12.372 -7.036 8.291 1.00 0.00 C ATOM 543 O SER A 34 13.523 -7.454 8.177 1.00 0.00 O ATOM 544 CB SER A 34 10.631 -8.769 7.822 1.00 0.00 C ATOM 545 OG SER A 34 9.439 -9.373 8.295 1.00 0.00 O ATOM 0 H SER A 34 9.320 -7.238 9.238 1.00 0.00 H new ATOM 0 HA SER A 34 11.736 -8.555 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.409 -8.156 6.949 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.330 -9.541 7.500 1.00 0.00 H new ATOM 0 HG SER A 34 8.711 -8.717 8.278 1.00 0.00 H new ATOM 551 N LEU A 35 12.001 -5.821 7.897 1.00 0.00 N ATOM 552 CA LEU A 35 12.948 -4.888 7.298 1.00 0.00 C ATOM 553 C LEU A 35 13.930 -4.362 8.340 1.00 0.00 C ATOM 554 O LEU A 35 15.056 -3.989 8.014 1.00 0.00 O ATOM 555 CB LEU A 35 12.202 -3.721 6.647 1.00 0.00 C ATOM 556 CG LEU A 35 11.707 -3.980 5.223 1.00 0.00 C ATOM 557 CD1 LEU A 35 10.754 -2.881 4.783 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.884 -4.084 4.264 1.00 0.00 C ATOM 0 H LEU A 35 11.051 -5.460 7.982 1.00 0.00 H new ATOM 0 HA LEU A 35 13.512 -5.423 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.346 -3.464 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.860 -2.852 6.634 1.00 0.00 H new ATOM 0 HG LEU A 35 11.167 -4.927 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.412 -3.081 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.897 -2.852 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.269 -1.921 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.516 -4.268 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.449 -3.152 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.531 -4.906 4.570 1.00 0.00 H new ATOM 570 N GLY A 36 13.493 -4.332 9.596 1.00 0.00 N ATOM 571 CA GLY A 36 14.344 -3.846 10.666 1.00 0.00 C ATOM 572 C GLY A 36 15.382 -4.864 11.099 1.00 0.00 C ATOM 573 O GLY A 36 16.497 -4.501 11.472 1.00 0.00 O ATOM 0 H GLY A 36 12.565 -4.636 9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.848 -2.937 10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.726 -3.577 11.522 1.00 0.00 H new ATOM 577 N LYS A 37 15.014 -6.140 11.052 1.00 0.00 N ATOM 578 CA LYS A 37 15.924 -7.210 11.446 1.00 0.00 C ATOM 579 C LYS A 37 16.990 -7.447 10.380 1.00 0.00 C ATOM 580 O LYS A 37 18.086 -7.920 10.679 1.00 0.00 O ATOM 581 CB LYS A 37 15.145 -8.501 11.703 1.00 0.00 C ATOM 582 CG LYS A 37 14.344 -8.981 10.504 1.00 0.00 C ATOM 583 CD LYS A 37 13.665 -10.312 10.782 1.00 0.00 C ATOM 584 CE LYS A 37 13.809 -11.269 9.608 1.00 0.00 C ATOM 585 NZ LYS A 37 15.063 -12.067 9.693 1.00 0.00 N ATOM 0 H LYS A 37 14.095 -6.458 10.746 1.00 0.00 H new ATOM 0 HA LYS A 37 16.423 -6.905 12.366 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.844 -9.284 11.999 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.467 -8.345 12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.592 -8.235 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.003 -9.081 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.098 -10.763 11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.608 -10.146 10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.952 -11.942 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.801 -10.704 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.124 -12.707 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.883 -11.427 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.060 -12.626 10.570 1.00 0.00 H new ATOM 599 N VAL A 38 16.661 -7.119 9.134 1.00 0.00 N ATOM 600 CA VAL A 38 17.594 -7.300 8.028 1.00 0.00 C ATOM 601 C VAL A 38 18.502 -6.086 7.862 1.00 0.00 C ATOM 602 O VAL A 38 19.679 -6.220 7.529 1.00 0.00 O ATOM 603 CB VAL A 38 16.853 -7.559 6.703 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.080 -8.866 6.769 1.00 0.00 C ATOM 605 CG2 VAL A 38 15.930 -6.400 6.380 1.00 0.00 C ATOM 0 H VAL A 38 15.758 -6.728 8.866 1.00 0.00 H new ATOM 0 HA VAL A 38 18.203 -8.171 8.272 1.00 0.00 H new ATOM 0 HB VAL A 38 17.589 -7.643 5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.563 -9.031 5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.771 -9.689 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.351 -8.817 7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.413 -6.597 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.198 -6.284 7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.514 -5.485 6.287 1.00 0.00 H new ATOM 615 N PHE A 39 17.948 -4.900 8.098 1.00 0.00 N ATOM 616 CA PHE A 39 18.710 -3.663 7.974 1.00 0.00 C ATOM 617 C PHE A 39 19.334 -3.268 9.311 1.00 0.00 C ATOM 618 O PHE A 39 20.346 -2.569 9.350 1.00 0.00 O ATOM 619 CB PHE A 39 17.813 -2.534 7.464 1.00 0.00 C ATOM 620 CG PHE A 39 17.656 -2.522 5.971 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.716 -2.168 5.152 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.447 -2.865 5.385 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.574 -2.157 3.777 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.300 -2.854 4.010 1.00 0.00 C ATOM 625 CZ PHE A 39 17.364 -2.500 3.206 1.00 0.00 C ATOM 0 H PHE A 39 16.975 -4.770 8.376 1.00 0.00 H new ATOM 0 HA PHE A 39 19.512 -3.833 7.256 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.829 -2.626 7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.227 -1.578 7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.664 -1.898 5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.611 -3.144 6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.409 -1.880 3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.353 -3.122 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.251 -2.491 2.132 1.00 0.00 H new ATOM 635 N GLY A 40 18.725 -3.721 10.402 1.00 0.00 N ATOM 636 CA GLY A 40 19.239 -3.405 11.722 1.00 0.00 C ATOM 637 C GLY A 40 18.574 -2.186 12.331 1.00 0.00 C ATOM 638 O GLY A 40 19.176 -1.481 13.139 1.00 0.00 O ATOM 0 H GLY A 40 17.886 -4.301 10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.091 -4.261 12.380 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.314 -3.234 11.658 1.00 0.00 H new ATOM 642 N VAL A 41 17.326 -1.938 11.944 1.00 0.00 N ATOM 643 CA VAL A 41 16.578 -0.797 12.460 1.00 0.00 C ATOM 644 C VAL A 41 15.325 -1.254 13.199 1.00 0.00 C ATOM 645 O VAL A 41 14.863 -2.381 13.021 1.00 0.00 O ATOM 646 CB VAL A 41 16.175 0.173 11.334 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.389 0.936 10.827 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.495 -0.576 10.199 1.00 0.00 C ATOM 0 H VAL A 41 16.812 -2.512 11.275 1.00 0.00 H new ATOM 0 HA VAL A 41 17.237 -0.275 13.153 1.00 0.00 H new ATOM 0 HB VAL A 41 15.464 0.893 11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.085 1.617 10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.828 1.507 11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.126 0.232 10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.218 0.127 9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.179 -1.322 9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.600 -1.071 10.575 1.00 0.00 H new ATOM 658 N HIS A 42 14.780 -0.373 14.031 1.00 0.00 N ATOM 659 CA HIS A 42 13.582 -0.686 14.801 1.00 0.00 C ATOM 660 C HIS A 42 12.344 -0.696 13.909 1.00 0.00 C ATOM 661 O HIS A 42 12.357 -0.157 12.803 1.00 0.00 O ATOM 662 CB HIS A 42 13.402 0.323 15.938 1.00 0.00 C ATOM 663 CG HIS A 42 13.243 -0.312 17.284 1.00 0.00 C ATOM 664 ND1 HIS A 42 12.827 -1.615 17.460 1.00 0.00 N ATOM 665 CD2 HIS A 42 13.449 0.185 18.528 1.00 0.00 C ATOM 666 CE1 HIS A 42 12.784 -1.893 18.750 1.00 0.00 C ATOM 667 NE2 HIS A 42 13.157 -0.817 19.420 1.00 0.00 N ATOM 0 H HIS A 42 15.149 0.564 14.189 1.00 0.00 H new ATOM 0 HA HIS A 42 13.705 -1.682 15.226 1.00 0.00 H new ATOM 0 HB2 HIS A 42 14.264 0.990 15.960 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.527 0.939 15.731 1.00 0.00 H new ATOM 0 HD2 HIS A 42 13.781 1.183 18.772 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.494 -2.839 19.184 1.00 0.00 H new ATOM 0 HE2 HIS A 42 13.218 -0.743 20.435 1.00 0.00 H new ATOM 676 N TYR A 43 11.273 -1.310 14.402 1.00 0.00 N ATOM 677 CA TYR A 43 10.022 -1.390 13.655 1.00 0.00 C ATOM 678 C TYR A 43 9.500 0.007 13.322 1.00 0.00 C ATOM 679 O TYR A 43 9.179 0.302 12.172 1.00 0.00 O ATOM 680 CB TYR A 43 8.977 -2.169 14.461 1.00 0.00 C ATOM 681 CG TYR A 43 7.572 -2.071 13.908 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.329 -2.201 12.545 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.488 -1.846 14.747 1.00 0.00 C ATOM 684 CE1 TYR A 43 6.048 -2.108 12.037 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.204 -1.754 14.247 1.00 0.00 C ATOM 686 CZ TYR A 43 4.989 -1.885 12.892 1.00 0.00 C ATOM 687 OH TYR A 43 3.712 -1.793 12.389 1.00 0.00 O ATOM 0 H TYR A 43 11.246 -1.760 15.317 1.00 0.00 H new ATOM 0 HA TYR A 43 10.212 -1.916 12.719 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.270 -3.218 14.497 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.978 -1.803 15.488 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.156 -2.378 11.873 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.652 -1.741 15.809 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.876 -2.209 10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.373 -1.580 14.914 1.00 0.00 H new ATOM 0 HH TYR A 43 3.736 -1.892 11.414 1.00 0.00 H new ATOM 697 N PHE A 44 9.419 0.860 14.339 1.00 0.00 N ATOM 698 CA PHE A 44 8.935 2.222 14.157 1.00 0.00 C ATOM 699 C PHE A 44 9.871 3.021 13.252 1.00 0.00 C ATOM 700 O PHE A 44 9.443 3.949 12.566 1.00 0.00 O ATOM 701 CB PHE A 44 8.794 2.920 15.512 1.00 0.00 C ATOM 702 CG PHE A 44 7.382 3.311 15.841 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.607 3.999 14.921 1.00 0.00 C ATOM 704 CD2 PHE A 44 6.828 2.991 17.070 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.308 4.361 15.221 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.529 3.350 17.376 1.00 0.00 C ATOM 707 CZ PHE A 44 4.768 4.035 16.449 1.00 0.00 C ATOM 0 H PHE A 44 9.683 0.631 15.297 1.00 0.00 H new ATOM 0 HA PHE A 44 7.957 2.171 13.678 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.171 2.259 16.293 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.421 3.812 15.519 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.023 4.255 13.958 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.419 2.454 17.798 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.715 4.899 14.496 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.110 3.095 18.338 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.752 4.315 16.684 1.00 0.00 H new ATOM 717 N ASN A 45 11.150 2.655 13.259 1.00 0.00 N ATOM 718 CA ASN A 45 12.144 3.341 12.440 1.00 0.00 C ATOM 719 C ASN A 45 11.778 3.269 10.960 1.00 0.00 C ATOM 720 O ASN A 45 12.118 4.163 10.185 1.00 0.00 O ATOM 721 CB ASN A 45 13.531 2.736 12.669 1.00 0.00 C ATOM 722 CG ASN A 45 14.386 3.585 13.587 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.715 3.178 14.702 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.753 4.774 13.124 1.00 0.00 N ATOM 0 H ASN A 45 11.521 1.889 13.821 1.00 0.00 H new ATOM 0 HA ASN A 45 12.161 4.390 12.737 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.424 1.739 13.096 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.037 2.620 11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.330 5.389 13.698 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.458 5.072 12.194 1.00 0.00 H new ATOM 731 N ILE A 46 11.080 2.205 10.573 1.00 0.00 N ATOM 732 CA ILE A 46 10.669 2.028 9.185 1.00 0.00 C ATOM 733 C ILE A 46 9.606 3.049 8.798 1.00 0.00 C ATOM 734 O ILE A 46 9.852 3.932 7.977 1.00 0.00 O ATOM 735 CB ILE A 46 10.120 0.610 8.932 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.061 -0.441 9.524 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.924 0.376 7.441 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.481 -0.341 9.008 1.00 0.00 C ATOM 0 H ILE A 46 10.788 1.455 11.199 1.00 0.00 H new ATOM 0 HA ILE A 46 11.557 2.176 8.571 1.00 0.00 H new ATOM 0 HB ILE A 46 9.152 0.519 9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.069 -0.339 10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.671 -1.434 9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.536 -0.630 7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.216 1.106 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.879 0.484 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.092 -1.117 9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.485 -0.473 7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.890 0.639 9.256 1.00 0.00 H new ATOM 750 N PHE A 47 8.427 2.924 9.398 1.00 0.00 N ATOM 751 CA PHE A 47 7.326 3.839 9.119 1.00 0.00 C ATOM 752 C PHE A 47 6.589 4.204 10.403 1.00 0.00 C ATOM 753 O PHE A 47 6.866 3.653 11.469 1.00 0.00 O ATOM 754 CB PHE A 47 6.348 3.214 8.119 1.00 0.00 C ATOM 755 CG PHE A 47 6.831 3.213 6.691 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.755 4.148 6.244 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.353 2.271 5.794 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.190 4.140 4.933 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.785 2.260 4.481 1.00 0.00 C ATOM 760 CZ PHE A 47 7.704 3.196 4.050 1.00 0.00 C ATOM 0 H PHE A 47 8.209 2.198 10.081 1.00 0.00 H new ATOM 0 HA PHE A 47 7.744 4.747 8.685 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.145 2.187 8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.402 3.753 8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.138 4.890 6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.634 1.536 6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.910 4.872 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.404 1.520 3.793 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.042 3.190 3.024 1.00 0.00 H new ATOM 770 N ASN A 48 5.645 5.135 10.291 1.00 0.00 N ATOM 771 CA ASN A 48 4.864 5.573 11.440 1.00 0.00 C ATOM 772 C ASN A 48 3.399 5.177 11.281 1.00 0.00 C ATOM 773 O ASN A 48 2.959 4.817 10.190 1.00 0.00 O ATOM 774 CB ASN A 48 4.983 7.090 11.615 1.00 0.00 C ATOM 775 CG ASN A 48 5.691 7.471 12.901 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.875 7.806 12.895 1.00 0.00 O ATOM 777 ND2 ASN A 48 4.967 7.417 14.013 1.00 0.00 N ATOM 0 H ASN A 48 5.404 5.599 9.415 1.00 0.00 H new ATOM 0 HA ASN A 48 5.259 5.082 12.329 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.525 7.509 10.767 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.987 7.533 11.607 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.390 7.659 14.909 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.988 7.134 13.971 1.00 0.00 H new ATOM 784 N THR A 49 2.649 5.244 12.378 1.00 0.00 N ATOM 785 CA THR A 49 1.233 4.891 12.360 1.00 0.00 C ATOM 786 C THR A 49 0.492 5.661 11.269 1.00 0.00 C ATOM 787 O THR A 49 -0.445 5.146 10.660 1.00 0.00 O ATOM 788 CB THR A 49 0.598 5.176 13.722 1.00 0.00 C ATOM 789 OG1 THR A 49 1.332 4.547 14.757 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.835 4.704 13.823 1.00 0.00 C ATOM 0 H THR A 49 2.998 5.539 13.290 1.00 0.00 H new ATOM 0 HA THR A 49 1.153 3.825 12.145 1.00 0.00 H new ATOM 0 HB THR A 49 0.614 6.261 13.829 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.912 4.742 15.621 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.226 4.937 14.814 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.438 5.208 13.068 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.876 3.627 13.661 1.00 0.00 H new ATOM 798 N VAL A 50 0.922 6.895 11.028 1.00 0.00 N ATOM 799 CA VAL A 50 0.302 7.736 10.011 1.00 0.00 C ATOM 800 C VAL A 50 0.680 7.270 8.607 1.00 0.00 C ATOM 801 O VAL A 50 -0.088 7.431 7.659 1.00 0.00 O ATOM 802 CB VAL A 50 0.706 9.211 10.182 1.00 0.00 C ATOM 803 CG1 VAL A 50 2.206 9.371 10.018 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.047 10.096 9.199 1.00 0.00 C ATOM 0 H VAL A 50 1.698 7.335 11.523 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.777 7.648 10.139 1.00 0.00 H new ATOM 0 HB VAL A 50 0.437 9.527 11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.476 10.420 10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.720 8.773 10.770 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.501 9.035 9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.255 11.134 9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.183 9.785 8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.119 10.003 9.373 1.00 0.00 H new ATOM 814 N THR A 51 1.869 6.688 8.485 1.00 0.00 N ATOM 815 CA THR A 51 2.353 6.197 7.199 1.00 0.00 C ATOM 816 C THR A 51 1.555 4.979 6.741 1.00 0.00 C ATOM 817 O THR A 51 1.017 4.957 5.633 1.00 0.00 O ATOM 818 CB THR A 51 3.838 5.841 7.297 1.00 0.00 C ATOM 819 OG1 THR A 51 4.606 6.980 7.643 1.00 0.00 O ATOM 820 CG2 THR A 51 4.408 5.279 6.011 1.00 0.00 C ATOM 0 H THR A 51 2.515 6.545 9.261 1.00 0.00 H new ATOM 0 HA THR A 51 2.221 6.989 6.462 1.00 0.00 H new ATOM 0 HB THR A 51 3.898 5.073 8.068 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.239 7.770 7.194 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.464 5.049 6.151 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.871 4.370 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.300 6.014 5.213 1.00 0.00 H new ATOM 828 N LEU A 52 1.486 3.965 7.599 1.00 0.00 N ATOM 829 CA LEU A 52 0.758 2.740 7.282 1.00 0.00 C ATOM 830 C LEU A 52 -0.682 3.044 6.878 1.00 0.00 C ATOM 831 O LEU A 52 -1.159 2.575 5.845 1.00 0.00 O ATOM 832 CB LEU A 52 0.772 1.789 8.480 1.00 0.00 C ATOM 833 CG LEU A 52 2.156 1.269 8.877 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.070 0.445 10.152 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.758 0.447 7.747 1.00 0.00 C ATOM 0 H LEU A 52 1.926 3.967 8.519 1.00 0.00 H new ATOM 0 HA LEU A 52 1.257 2.263 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.333 2.301 9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.131 0.937 8.256 1.00 0.00 H new ATOM 0 HG LEU A 52 2.806 2.123 9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.063 0.083 10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.680 1.064 10.960 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.406 -0.404 9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.742 0.085 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.109 -0.401 7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.855 1.068 6.857 1.00 0.00 H new ATOM 847 N LYS A 53 -1.370 3.832 7.698 1.00 0.00 N ATOM 848 CA LYS A 53 -2.756 4.196 7.422 1.00 0.00 C ATOM 849 C LYS A 53 -2.879 4.868 6.057 1.00 0.00 C ATOM 850 O LYS A 53 -3.900 4.741 5.381 1.00 0.00 O ATOM 851 CB LYS A 53 -3.289 5.129 8.511 1.00 0.00 C ATOM 852 CG LYS A 53 -2.515 6.430 8.629 1.00 0.00 C ATOM 853 CD LYS A 53 -3.215 7.413 9.553 1.00 0.00 C ATOM 854 CE LYS A 53 -3.130 6.970 11.005 1.00 0.00 C ATOM 855 NZ LYS A 53 -4.418 6.395 11.485 1.00 0.00 N ATOM 0 H LYS A 53 -0.992 4.230 8.557 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.350 3.282 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.335 5.356 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.259 4.610 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.513 6.225 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.399 6.877 7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.764 8.399 9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.261 7.507 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.338 6.228 11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.857 7.821 11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.320 6.105 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.169 7.111 11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.666 5.568 10.906 1.00 0.00 H new ATOM 869 N LYS A 54 -1.829 5.580 5.658 1.00 0.00 N ATOM 870 CA LYS A 54 -1.819 6.268 4.372 1.00 0.00 C ATOM 871 C LYS A 54 -1.753 5.265 3.225 1.00 0.00 C ATOM 872 O LYS A 54 -2.645 5.218 2.378 1.00 0.00 O ATOM 873 CB LYS A 54 -0.640 7.240 4.299 1.00 0.00 C ATOM 874 CG LYS A 54 -1.021 8.622 3.791 1.00 0.00 C ATOM 875 CD LYS A 54 -2.150 9.228 4.611 1.00 0.00 C ATOM 876 CE LYS A 54 -2.240 10.733 4.408 1.00 0.00 C ATOM 877 NZ LYS A 54 -3.648 11.187 4.248 1.00 0.00 N ATOM 0 H LYS A 54 -0.976 5.695 6.206 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.745 6.835 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.197 7.336 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.126 6.821 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.151 9.277 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.324 8.555 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.095 8.764 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.991 9.011 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.789 11.242 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.665 11.016 3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.667 12.218 4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.071 10.721 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.191 10.940 5.100 1.00 0.00 H new ATOM 891 N LEU A 55 -0.697 4.455 3.208 1.00 0.00 N ATOM 892 CA LEU A 55 -0.529 3.444 2.168 1.00 0.00 C ATOM 893 C LEU A 55 -1.736 2.508 2.110 1.00 0.00 C ATOM 894 O LEU A 55 -1.993 1.879 1.084 1.00 0.00 O ATOM 895 CB LEU A 55 0.752 2.636 2.400 1.00 0.00 C ATOM 896 CG LEU A 55 2.018 3.225 1.771 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.830 4.007 2.789 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.869 2.122 1.162 1.00 0.00 C ATOM 0 H LEU A 55 0.052 4.479 3.900 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.450 3.962 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.911 2.538 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.604 1.630 2.007 1.00 0.00 H new ATOM 0 HG LEU A 55 1.709 3.913 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.722 4.412 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.228 4.825 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.124 3.346 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.765 2.556 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.155 1.413 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.297 1.605 0.391 1.00 0.00 H new ATOM 910 N ALA A 56 -2.473 2.423 3.214 1.00 0.00 N ATOM 911 CA ALA A 56 -3.650 1.566 3.281 1.00 0.00 C ATOM 912 C ALA A 56 -4.827 2.192 2.544 1.00 0.00 C ATOM 913 O ALA A 56 -5.362 1.609 1.601 1.00 0.00 O ATOM 914 CB ALA A 56 -4.018 1.288 4.730 1.00 0.00 C ATOM 0 H ALA A 56 -2.275 2.937 4.073 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.410 0.622 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.899 0.647 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.186 0.789 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.233 2.228 5.238 1.00 0.00 H new ATOM 920 N GLU A 57 -5.229 3.384 2.978 1.00 0.00 N ATOM 921 CA GLU A 57 -6.346 4.087 2.356 1.00 0.00 C ATOM 922 C GLU A 57 -6.160 4.182 0.844 1.00 0.00 C ATOM 923 O GLU A 57 -7.126 4.121 0.083 1.00 0.00 O ATOM 924 CB GLU A 57 -6.488 5.490 2.951 1.00 0.00 C ATOM 925 CG GLU A 57 -6.426 5.515 4.471 1.00 0.00 C ATOM 926 CD GLU A 57 -7.671 6.112 5.097 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.782 5.819 4.607 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.536 6.874 6.077 1.00 0.00 O ATOM 0 H GLU A 57 -4.798 3.882 3.757 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.254 3.519 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.698 6.126 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.436 5.919 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.289 4.499 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.555 6.089 4.786 1.00 0.00 H new ATOM 935 N SER A 58 -4.908 4.327 0.415 1.00 0.00 N ATOM 936 CA SER A 58 -4.593 4.424 -1.005 1.00 0.00 C ATOM 937 C SER A 58 -4.845 3.094 -1.705 1.00 0.00 C ATOM 938 O SER A 58 -5.530 3.038 -2.727 1.00 0.00 O ATOM 939 CB SER A 58 -3.136 4.850 -1.198 1.00 0.00 C ATOM 940 OG SER A 58 -2.764 5.839 -0.255 1.00 0.00 O ATOM 0 H SER A 58 -4.097 4.380 1.031 1.00 0.00 H new ATOM 0 HA SER A 58 -5.244 5.178 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.484 3.983 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.998 5.236 -2.208 1.00 0.00 H new ATOM 0 HG SER A 58 -2.617 5.419 0.618 1.00 0.00 H new ATOM 946 N LEU A 59 -4.289 2.024 -1.148 1.00 0.00 N ATOM 947 CA LEU A 59 -4.455 0.689 -1.712 1.00 0.00 C ATOM 948 C LEU A 59 -3.823 0.595 -3.099 1.00 0.00 C ATOM 949 O LEU A 59 -4.388 -0.011 -4.010 1.00 0.00 O ATOM 950 CB LEU A 59 -5.940 0.328 -1.784 1.00 0.00 C ATOM 951 CG LEU A 59 -6.275 -1.119 -1.411 1.00 0.00 C ATOM 952 CD1 LEU A 59 -7.495 -1.176 -0.502 1.00 0.00 C ATOM 953 CD2 LEU A 59 -6.502 -1.953 -2.665 1.00 0.00 C ATOM 0 H LEU A 59 -3.718 2.055 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.946 -0.020 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.493 0.995 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.295 0.518 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.428 -1.536 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.713 -2.214 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.295 -0.616 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.352 -0.739 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.739 -2.979 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.330 -1.534 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.599 -1.945 -3.276 1.00 0.00 H new ATOM 965 N SER A 60 -2.648 1.196 -3.250 1.00 0.00 N ATOM 966 CA SER A 60 -1.935 1.177 -4.523 1.00 0.00 C ATOM 967 C SER A 60 -0.440 0.966 -4.303 1.00 0.00 C ATOM 968 O SER A 60 0.125 1.452 -3.325 1.00 0.00 O ATOM 969 CB SER A 60 -2.171 2.484 -5.285 1.00 0.00 C ATOM 970 OG SER A 60 -3.531 2.615 -5.660 1.00 0.00 O ATOM 0 H SER A 60 -2.168 1.703 -2.506 1.00 0.00 H new ATOM 0 HA SER A 60 -2.319 0.346 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.879 3.330 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.541 2.510 -6.174 1.00 0.00 H new ATOM 0 HG SER A 60 -3.657 3.458 -6.144 1.00 0.00 H new ATOM 976 N SER A 61 0.195 0.239 -5.218 1.00 0.00 N ATOM 977 CA SER A 61 1.625 -0.031 -5.112 1.00 0.00 C ATOM 978 C SER A 61 2.430 0.927 -5.985 1.00 0.00 C ATOM 979 O SER A 61 2.787 0.601 -7.117 1.00 0.00 O ATOM 980 CB SER A 61 1.923 -1.476 -5.513 1.00 0.00 C ATOM 981 OG SER A 61 1.162 -1.859 -6.646 1.00 0.00 O ATOM 0 H SER A 61 -0.255 -0.171 -6.036 1.00 0.00 H new ATOM 0 HA SER A 61 1.920 0.120 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.985 -1.584 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.699 -2.141 -4.679 1.00 0.00 H new ATOM 0 HG SER A 61 1.659 -2.527 -7.163 1.00 0.00 H new ATOM 987 N ASP A 62 2.717 2.105 -5.445 1.00 0.00 N ATOM 988 CA ASP A 62 3.487 3.114 -6.163 1.00 0.00 C ATOM 989 C ASP A 62 4.694 3.552 -5.340 1.00 0.00 C ATOM 990 O ASP A 62 4.699 3.415 -4.120 1.00 0.00 O ATOM 991 CB ASP A 62 2.609 4.320 -6.495 1.00 0.00 C ATOM 992 CG ASP A 62 1.559 4.003 -7.543 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.937 3.544 -8.641 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.361 4.211 -7.263 1.00 0.00 O ATOM 0 H ASP A 62 2.427 2.386 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 62 3.843 2.674 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.117 4.669 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.238 5.136 -6.851 1.00 0.00 H new ATOM 999 N PRO A 63 5.741 4.078 -5.996 1.00 0.00 N ATOM 1000 CA PRO A 63 6.952 4.527 -5.318 1.00 0.00 C ATOM 1001 C PRO A 63 6.869 5.980 -4.852 1.00 0.00 C ATOM 1002 O PRO A 63 7.168 6.287 -3.698 1.00 0.00 O ATOM 1003 CB PRO A 63 8.014 4.367 -6.401 1.00 0.00 C ATOM 1004 CG PRO A 63 7.293 4.593 -7.691 1.00 0.00 C ATOM 1005 CD PRO A 63 5.834 4.263 -7.454 1.00 0.00 C ATOM 0 HA PRO A 63 7.149 3.963 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.822 5.087 -6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.463 3.374 -6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.405 5.627 -8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.707 3.963 -8.478 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.183 5.067 -7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.537 3.362 -7.990 1.00 0.00 H new ATOM 1013 N GLU A 64 6.471 6.872 -5.756 1.00 0.00 N ATOM 1014 CA GLU A 64 6.360 8.291 -5.433 1.00 0.00 C ATOM 1015 C GLU A 64 5.151 8.567 -4.544 1.00 0.00 C ATOM 1016 O GLU A 64 5.205 9.412 -3.649 1.00 0.00 O ATOM 1017 CB GLU A 64 6.262 9.122 -6.715 1.00 0.00 C ATOM 1018 CG GLU A 64 5.235 8.600 -7.705 1.00 0.00 C ATOM 1019 CD GLU A 64 4.149 9.614 -8.011 1.00 0.00 C ATOM 1020 OE1 GLU A 64 3.892 10.485 -7.153 1.00 0.00 O ATOM 1021 OE2 GLU A 64 3.555 9.537 -9.107 1.00 0.00 O ATOM 0 H GLU A 64 6.220 6.637 -6.716 1.00 0.00 H new ATOM 0 HA GLU A 64 7.258 8.577 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.011 10.150 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.239 9.146 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.738 8.322 -8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.779 7.694 -7.305 1.00 0.00 H new ATOM 1028 N VAL A 65 4.059 7.851 -4.797 1.00 0.00 N ATOM 1029 CA VAL A 65 2.836 8.022 -4.020 1.00 0.00 C ATOM 1030 C VAL A 65 3.109 7.886 -2.524 1.00 0.00 C ATOM 1031 O VAL A 65 2.381 8.439 -1.699 1.00 0.00 O ATOM 1032 CB VAL A 65 1.758 6.998 -4.428 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.468 7.239 -3.660 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.507 7.053 -5.928 1.00 0.00 C ATOM 0 H VAL A 65 3.996 7.148 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 65 2.469 9.027 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 65 2.122 6.002 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.279 6.505 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.658 7.143 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.099 8.242 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.743 6.323 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.167 8.051 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.430 6.824 -6.460 1.00 0.00 H new ATOM 1044 N LEU A 66 4.159 7.148 -2.183 1.00 0.00 N ATOM 1045 CA LEU A 66 4.523 6.942 -0.787 1.00 0.00 C ATOM 1046 C LEU A 66 5.415 8.070 -0.282 1.00 0.00 C ATOM 1047 O LEU A 66 5.410 8.394 0.906 1.00 0.00 O ATOM 1048 CB LEU A 66 5.227 5.597 -0.619 1.00 0.00 C ATOM 1049 CG LEU A 66 4.559 4.426 -1.341 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.182 3.103 -0.917 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.061 4.420 -1.075 1.00 0.00 C ATOM 0 H LEU A 66 4.772 6.683 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 66 3.609 6.941 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.251 5.692 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.285 5.364 0.444 1.00 0.00 H new ATOM 0 HG LEU A 66 4.719 4.550 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.691 2.284 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.244 3.106 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.057 2.970 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.602 3.580 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.882 4.324 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.624 5.352 -1.433 1.00 0.00 H new ATOM 1063 N LEU A 67 6.181 8.667 -1.191 1.00 0.00 N ATOM 1064 CA LEU A 67 7.078 9.762 -0.834 1.00 0.00 C ATOM 1065 C LEU A 67 6.306 10.915 -0.202 1.00 0.00 C ATOM 1066 O LEU A 67 6.784 11.555 0.735 1.00 0.00 O ATOM 1067 CB LEU A 67 7.831 10.255 -2.073 1.00 0.00 C ATOM 1068 CG LEU A 67 9.178 10.919 -1.789 1.00 0.00 C ATOM 1069 CD1 LEU A 67 9.013 12.061 -0.800 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.175 9.897 -1.265 1.00 0.00 C ATOM 0 H LEU A 67 6.199 8.412 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 67 7.796 9.388 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.994 9.409 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.198 10.965 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 67 9.564 11.328 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.983 12.521 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.333 12.805 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.605 11.677 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.129 10.387 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.795 9.458 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.317 9.113 -2.008 1.00 0.00 H new ATOM 1082 N GLN A 68 5.109 11.173 -0.719 1.00 0.00 N ATOM 1083 CA GLN A 68 4.269 12.248 -0.201 1.00 0.00 C ATOM 1084 C GLN A 68 3.665 11.878 1.153 1.00 0.00 C ATOM 1085 O GLN A 68 3.079 12.723 1.831 1.00 0.00 O ATOM 1086 CB GLN A 68 3.154 12.574 -1.196 1.00 0.00 C ATOM 1087 CG GLN A 68 3.661 12.908 -2.590 1.00 0.00 C ATOM 1088 CD GLN A 68 4.429 14.214 -2.635 1.00 0.00 C ATOM 1089 OE1 GLN A 68 4.427 14.980 -1.672 1.00 0.00 O ATOM 1090 NE2 GLN A 68 5.091 14.474 -3.756 1.00 0.00 N ATOM 0 H GLN A 68 4.699 10.653 -1.495 1.00 0.00 H new ATOM 0 HA GLN A 68 4.899 13.127 -0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.475 11.724 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.575 13.417 -0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.304 12.101 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.816 12.964 -3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.065 13.810 -4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.626 15.338 -3.844 1.00 0.00 H new ATOM 1099 N ILE A 69 3.806 10.613 1.542 1.00 0.00 N ATOM 1100 CA ILE A 69 3.273 10.138 2.813 1.00 0.00 C ATOM 1101 C ILE A 69 4.114 10.638 3.984 1.00 0.00 C ATOM 1102 O ILE A 69 5.343 10.621 3.931 1.00 0.00 O ATOM 1103 CB ILE A 69 3.216 8.599 2.854 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.535 8.064 1.593 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.491 8.118 4.101 1.00 0.00 C ATOM 1106 CD1 ILE A 69 1.060 8.388 1.509 1.00 0.00 C ATOM 0 H ILE A 69 4.286 9.899 0.994 1.00 0.00 H new ATOM 0 HA ILE A 69 2.262 10.535 2.902 1.00 0.00 H new ATOM 0 HB ILE A 69 4.236 8.215 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.038 8.476 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.662 6.982 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.463 7.028 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.017 8.473 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.473 8.507 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.649 7.975 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.543 7.953 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.924 9.469 1.515 1.00 0.00 H new ATOM 1118 N ASP A 70 3.441 11.083 5.041 1.00 0.00 N ATOM 1119 CA ASP A 70 4.124 11.589 6.225 1.00 0.00 C ATOM 1120 C ASP A 70 5.026 10.520 6.835 1.00 0.00 C ATOM 1121 O ASP A 70 4.577 9.415 7.143 1.00 0.00 O ATOM 1122 CB ASP A 70 3.105 12.065 7.262 1.00 0.00 C ATOM 1123 CG ASP A 70 3.507 13.377 7.910 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.331 13.347 8.849 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.999 14.432 7.476 1.00 0.00 O ATOM 0 H ASP A 70 2.423 11.103 5.101 1.00 0.00 H new ATOM 0 HA ASP A 70 4.746 12.431 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.132 12.182 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.992 11.302 8.032 1.00 0.00 H new ATOM 1130 N GLY A 71 6.301 10.855 7.006 1.00 0.00 N ATOM 1131 CA GLY A 71 7.246 9.914 7.578 1.00 0.00 C ATOM 1132 C GLY A 71 8.093 9.228 6.526 1.00 0.00 C ATOM 1133 O GLY A 71 9.248 8.882 6.776 1.00 0.00 O ATOM 0 H GLY A 71 6.697 11.762 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.897 10.438 8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.703 9.161 8.150 1.00 0.00 H new ATOM 1137 N VAL A 72 7.519 9.028 5.343 1.00 0.00 N ATOM 1138 CA VAL A 72 8.229 8.379 4.247 1.00 0.00 C ATOM 1139 C VAL A 72 9.065 9.384 3.465 1.00 0.00 C ATOM 1140 O VAL A 72 8.529 10.281 2.816 1.00 0.00 O ATOM 1141 CB VAL A 72 7.253 7.680 3.280 1.00 0.00 C ATOM 1142 CG1 VAL A 72 8.008 6.758 2.333 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.191 6.912 4.049 1.00 0.00 C ATOM 0 H VAL A 72 6.564 9.307 5.120 1.00 0.00 H new ATOM 0 HA VAL A 72 8.885 7.631 4.694 1.00 0.00 H new ATOM 0 HB VAL A 72 6.753 8.445 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.303 6.273 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.724 7.340 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.538 6.000 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.513 6.427 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.669 6.157 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.629 7.601 4.679 1.00 0.00 H new ATOM 1153 N THR A 73 10.384 9.227 3.529 1.00 0.00 N ATOM 1154 CA THR A 73 11.295 10.122 2.825 1.00 0.00 C ATOM 1155 C THR A 73 11.863 9.448 1.581 1.00 0.00 C ATOM 1156 O THR A 73 11.499 8.319 1.252 1.00 0.00 O ATOM 1157 CB THR A 73 12.433 10.558 3.749 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.720 9.551 4.702 1.00 0.00 O ATOM 1159 CG2 THR A 73 12.133 11.834 4.504 1.00 0.00 C ATOM 0 H THR A 73 10.845 8.489 4.061 1.00 0.00 H new ATOM 0 HA THR A 73 10.733 11.003 2.515 1.00 0.00 H new ATOM 0 HB THR A 73 13.286 10.734 3.094 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.452 9.849 5.282 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.980 12.088 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.957 12.643 3.795 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.245 11.692 5.120 1.00 0.00 H new ATOM 1167 N GLU A 74 12.757 10.147 0.893 1.00 0.00 N ATOM 1168 CA GLU A 74 13.377 9.618 -0.318 1.00 0.00 C ATOM 1169 C GLU A 74 14.290 8.436 0.000 1.00 0.00 C ATOM 1170 O GLU A 74 14.616 7.641 -0.881 1.00 0.00 O ATOM 1171 CB GLU A 74 14.173 10.714 -1.027 1.00 0.00 C ATOM 1172 CG GLU A 74 13.301 11.778 -1.672 1.00 0.00 C ATOM 1173 CD GLU A 74 12.917 11.432 -3.097 1.00 0.00 C ATOM 1174 OE1 GLU A 74 12.622 10.248 -3.362 1.00 0.00 O ATOM 1175 OE2 GLU A 74 12.912 12.346 -3.950 1.00 0.00 O ATOM 0 H GLU A 74 13.070 11.083 1.152 1.00 0.00 H new ATOM 0 HA GLU A 74 12.582 9.268 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.840 11.190 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.801 10.258 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.397 11.911 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.831 12.731 -1.663 1.00 0.00 H new ATOM 1182 N ASP A 75 14.703 8.325 1.261 1.00 0.00 N ATOM 1183 CA ASP A 75 15.581 7.240 1.683 1.00 0.00 C ATOM 1184 C ASP A 75 14.778 6.028 2.145 1.00 0.00 C ATOM 1185 O ASP A 75 15.157 4.885 1.893 1.00 0.00 O ATOM 1186 CB ASP A 75 16.504 7.712 2.807 1.00 0.00 C ATOM 1187 CG ASP A 75 15.739 8.320 3.966 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.097 7.559 4.720 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.779 9.560 4.118 1.00 0.00 O ATOM 0 H ASP A 75 14.444 8.972 2.005 1.00 0.00 H new ATOM 0 HA ASP A 75 16.183 6.944 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.094 6.869 3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.206 8.447 2.413 1.00 0.00 H new ATOM 1194 N LYS A 76 13.666 6.286 2.827 1.00 0.00 N ATOM 1195 CA LYS A 76 12.811 5.215 3.330 1.00 0.00 C ATOM 1196 C LYS A 76 12.138 4.465 2.184 1.00 0.00 C ATOM 1197 O LYS A 76 11.958 3.249 2.247 1.00 0.00 O ATOM 1198 CB LYS A 76 11.748 5.782 4.272 1.00 0.00 C ATOM 1199 CG LYS A 76 12.322 6.407 5.533 1.00 0.00 C ATOM 1200 CD LYS A 76 11.504 6.040 6.761 1.00 0.00 C ATOM 1201 CE LYS A 76 11.931 6.847 7.976 1.00 0.00 C ATOM 1202 NZ LYS A 76 11.152 6.478 9.191 1.00 0.00 N ATOM 0 H LYS A 76 13.336 7.226 3.044 1.00 0.00 H new ATOM 0 HA LYS A 76 13.440 4.514 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.165 6.532 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.061 4.984 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.351 6.075 5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.348 7.491 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.447 6.214 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.618 4.976 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.993 6.687 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.801 7.909 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.145 7.278 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.176 6.244 8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.591 5.653 9.648 1.00 0.00 H new ATOM 1216 N LEU A 77 11.760 5.199 1.144 1.00 0.00 N ATOM 1217 CA LEU A 77 11.097 4.605 -0.012 1.00 0.00 C ATOM 1218 C LEU A 77 12.098 3.908 -0.932 1.00 0.00 C ATOM 1219 O LEU A 77 11.734 3.010 -1.690 1.00 0.00 O ATOM 1220 CB LEU A 77 10.333 5.681 -0.789 1.00 0.00 C ATOM 1221 CG LEU A 77 9.171 5.171 -1.644 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.689 4.375 -2.831 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.216 4.327 -0.810 1.00 0.00 C ATOM 0 H LEU A 77 11.901 6.207 1.077 1.00 0.00 H new ATOM 0 HA LEU A 77 10.396 3.854 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.946 6.412 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.036 6.206 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 77 8.622 6.034 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.848 4.021 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.326 5.011 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.265 3.521 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.398 3.975 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.751 3.471 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.814 4.930 0.005 1.00 0.00 H new ATOM 1235 N GLU A 78 13.357 4.329 -0.870 1.00 0.00 N ATOM 1236 CA GLU A 78 14.396 3.739 -1.709 1.00 0.00 C ATOM 1237 C GLU A 78 15.022 2.516 -1.046 1.00 0.00 C ATOM 1238 O GLU A 78 15.527 1.623 -1.726 1.00 0.00 O ATOM 1239 CB GLU A 78 15.479 4.776 -2.016 1.00 0.00 C ATOM 1240 CG GLU A 78 16.129 4.591 -3.378 1.00 0.00 C ATOM 1241 CD GLU A 78 17.239 5.591 -3.635 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.294 6.615 -2.921 1.00 0.00 O ATOM 1243 OE2 GLU A 78 18.054 5.352 -4.550 1.00 0.00 O ATOM 0 H GLU A 78 13.682 5.072 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 78 13.929 3.417 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.041 5.773 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.248 4.725 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.531 3.581 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.370 4.688 -4.155 1.00 0.00 H new ATOM 1250 N LYS A 79 14.998 2.484 0.282 1.00 0.00 N ATOM 1251 CA LYS A 79 15.576 1.369 1.028 1.00 0.00 C ATOM 1252 C LYS A 79 14.517 0.337 1.414 1.00 0.00 C ATOM 1253 O LYS A 79 14.835 -0.831 1.633 1.00 0.00 O ATOM 1254 CB LYS A 79 16.280 1.883 2.285 1.00 0.00 C ATOM 1255 CG LYS A 79 17.049 0.806 3.034 1.00 0.00 C ATOM 1256 CD LYS A 79 18.537 1.113 3.088 1.00 0.00 C ATOM 1257 CE LYS A 79 18.908 1.852 4.365 1.00 0.00 C ATOM 1258 NZ LYS A 79 20.248 1.447 4.872 1.00 0.00 N ATOM 0 H LYS A 79 14.586 3.214 0.864 1.00 0.00 H new ATOM 0 HA LYS A 79 16.301 0.880 0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.968 2.681 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.539 2.320 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.658 0.718 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.893 -0.157 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.104 0.184 3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.817 1.715 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.900 2.926 4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.156 1.656 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.463 1.973 5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.249 0.427 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.969 1.658 4.153 1.00 0.00 H new ATOM 1272 N TYR A 80 13.265 0.772 1.509 1.00 0.00 N ATOM 1273 CA TYR A 80 12.176 -0.125 1.885 1.00 0.00 C ATOM 1274 C TYR A 80 11.183 -0.320 0.742 1.00 0.00 C ATOM 1275 O TYR A 80 10.464 -1.319 0.704 1.00 0.00 O ATOM 1276 CB TYR A 80 11.451 0.413 3.118 1.00 0.00 C ATOM 1277 CG TYR A 80 12.365 0.653 4.299 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.093 -0.388 4.861 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.501 1.921 4.850 1.00 0.00 C ATOM 1280 CE1 TYR A 80 13.930 -0.174 5.938 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.337 2.144 5.929 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.049 1.094 6.469 1.00 0.00 C ATOM 1283 OH TYR A 80 14.882 1.312 7.542 1.00 0.00 O ATOM 0 H TYR A 80 12.979 1.735 1.332 1.00 0.00 H new ATOM 0 HA TYR A 80 12.615 -1.096 2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.953 1.347 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.673 -0.293 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.003 -1.382 4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.945 2.746 4.429 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.489 -0.995 6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.432 3.136 6.346 1.00 0.00 H new ATOM 0 HH TYR A 80 14.852 2.259 7.793 1.00 0.00 H new ATOM 1293 N GLY A 81 11.140 0.635 -0.184 1.00 0.00 N ATOM 1294 CA GLY A 81 10.222 0.543 -1.309 1.00 0.00 C ATOM 1295 C GLY A 81 10.213 -0.828 -1.960 1.00 0.00 C ATOM 1296 O GLY A 81 9.159 -1.332 -2.347 1.00 0.00 O ATOM 0 H GLY A 81 11.724 1.471 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.215 0.784 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.494 1.291 -2.054 1.00 0.00 H new ATOM 1300 N ALA A 82 11.391 -1.429 -2.082 1.00 0.00 N ATOM 1301 CA ALA A 82 11.514 -2.747 -2.691 1.00 0.00 C ATOM 1302 C ALA A 82 10.778 -3.805 -1.875 1.00 0.00 C ATOM 1303 O ALA A 82 10.339 -4.822 -2.412 1.00 0.00 O ATOM 1304 CB ALA A 82 12.981 -3.123 -2.843 1.00 0.00 C ATOM 0 H ALA A 82 12.273 -1.025 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 82 11.054 -2.705 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.058 -4.110 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.481 -2.390 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.456 -3.139 -1.862 1.00 0.00 H new ATOM 1310 N GLU A 83 10.649 -3.563 -0.574 1.00 0.00 N ATOM 1311 CA GLU A 83 9.970 -4.503 0.312 1.00 0.00 C ATOM 1312 C GLU A 83 8.510 -4.108 0.525 1.00 0.00 C ATOM 1313 O GLU A 83 7.600 -4.872 0.204 1.00 0.00 O ATOM 1314 CB GLU A 83 10.694 -4.581 1.658 1.00 0.00 C ATOM 1315 CG GLU A 83 11.534 -5.838 1.824 1.00 0.00 C ATOM 1316 CD GLU A 83 10.745 -7.106 1.564 1.00 0.00 C ATOM 1317 OE1 GLU A 83 9.605 -7.211 2.067 1.00 0.00 O ATOM 1318 OE2 GLU A 83 11.264 -7.994 0.856 1.00 0.00 O ATOM 0 H GLU A 83 11.004 -2.727 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 83 9.990 -5.484 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.337 -3.707 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.958 -4.537 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.382 -5.796 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.940 -5.868 2.835 1.00 0.00 H new ATOM 1325 N VAL A 84 8.293 -2.913 1.073 1.00 0.00 N ATOM 1326 CA VAL A 84 6.938 -2.427 1.333 1.00 0.00 C ATOM 1327 C VAL A 84 6.032 -2.629 0.121 1.00 0.00 C ATOM 1328 O VAL A 84 4.977 -3.256 0.222 1.00 0.00 O ATOM 1329 CB VAL A 84 6.919 -0.934 1.729 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.078 -0.779 3.233 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.995 -0.152 0.988 1.00 0.00 C ATOM 0 H VAL A 84 9.034 -2.266 1.344 1.00 0.00 H new ATOM 0 HA VAL A 84 6.563 -3.015 2.171 1.00 0.00 H new ATOM 0 HB VAL A 84 5.952 -0.522 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.062 0.279 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.259 -1.290 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.027 -1.215 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.956 0.895 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.975 -0.563 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.825 -0.228 -0.086 1.00 0.00 H new ATOM 1341 N ILE A 85 6.449 -2.099 -1.027 1.00 0.00 N ATOM 1342 CA ILE A 85 5.672 -2.228 -2.254 1.00 0.00 C ATOM 1343 C ILE A 85 5.428 -3.693 -2.597 1.00 0.00 C ATOM 1344 O ILE A 85 4.414 -4.037 -3.200 1.00 0.00 O ATOM 1345 CB ILE A 85 6.370 -1.538 -3.443 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.637 -0.065 -3.121 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.525 -1.668 -4.705 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.168 0.728 -4.297 1.00 0.00 C ATOM 0 H ILE A 85 7.319 -1.577 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 85 4.716 -1.736 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 85 7.326 -2.031 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.713 0.395 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.353 -0.005 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.032 -1.176 -5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.383 -2.723 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.555 -1.199 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.333 1.762 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.109 0.294 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.444 0.700 -5.111 1.00 0.00 H new ATOM 1360 N SER A 86 6.361 -4.555 -2.204 1.00 0.00 N ATOM 1361 CA SER A 86 6.236 -5.982 -2.470 1.00 0.00 C ATOM 1362 C SER A 86 4.930 -6.519 -1.893 1.00 0.00 C ATOM 1363 O SER A 86 4.322 -7.435 -2.447 1.00 0.00 O ATOM 1364 CB SER A 86 7.422 -6.742 -1.872 1.00 0.00 C ATOM 1365 OG SER A 86 7.592 -8.001 -2.499 1.00 0.00 O ATOM 0 H SER A 86 7.209 -4.290 -1.702 1.00 0.00 H new ATOM 0 HA SER A 86 6.231 -6.130 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.331 -6.151 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.265 -6.883 -0.803 1.00 0.00 H new ATOM 0 HG SER A 86 8.357 -8.465 -2.099 1.00 0.00 H new ATOM 1371 N VAL A 87 4.505 -5.934 -0.778 1.00 0.00 N ATOM 1372 CA VAL A 87 3.271 -6.341 -0.118 1.00 0.00 C ATOM 1373 C VAL A 87 2.076 -5.539 -0.630 1.00 0.00 C ATOM 1374 O VAL A 87 0.929 -5.952 -0.471 1.00 0.00 O ATOM 1375 CB VAL A 87 3.367 -6.169 1.410 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.183 -6.830 2.097 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.679 -6.735 1.931 1.00 0.00 C ATOM 0 H VAL A 87 5.000 -5.174 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 87 3.125 -7.395 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 87 3.342 -5.104 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.268 -6.698 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.258 -6.372 1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.173 -7.894 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.728 -6.604 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.738 -7.797 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.513 -6.211 1.464 1.00 0.00 H new ATOM 1387 N LEU A 88 2.350 -4.384 -1.234 1.00 0.00 N ATOM 1388 CA LEU A 88 1.289 -3.524 -1.751 1.00 0.00 C ATOM 1389 C LEU A 88 0.873 -3.919 -3.166 1.00 0.00 C ATOM 1390 O LEU A 88 -0.179 -3.500 -3.648 1.00 0.00 O ATOM 1391 CB LEU A 88 1.734 -2.061 -1.730 1.00 0.00 C ATOM 1392 CG LEU A 88 1.699 -1.394 -0.350 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.050 -0.783 -0.016 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.603 -0.334 -0.287 1.00 0.00 C ATOM 0 H LEU A 88 3.294 -4.024 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 88 0.423 -3.651 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.750 -2.000 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.097 -1.493 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 88 1.475 -2.161 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.004 -0.315 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.811 -1.563 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.305 -0.032 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.597 0.125 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.792 0.430 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.364 -0.799 -0.476 1.00 0.00 H new ATOM 1406 N GLN A 89 1.696 -4.724 -3.832 1.00 0.00 N ATOM 1407 CA GLN A 89 1.396 -5.161 -5.192 1.00 0.00 C ATOM 1408 C GLN A 89 0.008 -5.795 -5.265 1.00 0.00 C ATOM 1409 O GLN A 89 -0.706 -5.644 -6.259 1.00 0.00 O ATOM 1410 CB GLN A 89 2.450 -6.159 -5.672 1.00 0.00 C ATOM 1411 CG GLN A 89 2.553 -6.253 -7.186 1.00 0.00 C ATOM 1412 CD GLN A 89 3.988 -6.223 -7.677 1.00 0.00 C ATOM 1413 OE1 GLN A 89 4.793 -7.088 -7.331 1.00 0.00 O ATOM 1414 NE2 GLN A 89 4.315 -5.223 -8.487 1.00 0.00 N ATOM 0 H GLN A 89 2.572 -5.086 -3.454 1.00 0.00 H new ATOM 0 HA GLN A 89 1.412 -4.286 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.421 -5.873 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.215 -7.145 -5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.077 -7.174 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.002 -5.427 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.615 -4.528 -8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.266 -5.150 -8.849 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.367 -6.502 -4.204 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.667 -7.161 -4.141 1.00 0.00 C ATOM 1425 C LYS A 90 -2.801 -6.139 -4.166 1.00 0.00 C ATOM 1426 O LYS A 90 -3.799 -6.322 -4.863 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.768 -8.018 -2.878 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.518 -8.836 -2.596 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.811 -9.997 -1.660 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.400 -9.680 -0.231 1.00 0.00 C ATOM 1431 NZ LYS A 90 -1.434 -10.108 0.752 1.00 0.00 N ATOM 0 H LYS A 90 0.212 -6.634 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.761 -7.802 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.968 -7.370 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.619 -8.692 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.112 -9.217 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.245 -8.195 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.875 -10.230 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.281 -10.885 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.543 -10.178 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.227 -8.608 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.116 -9.874 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.327 -9.614 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.581 -11.135 0.676 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.642 -5.062 -3.402 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.657 -4.017 -3.340 1.00 0.00 C ATOM 1447 C TYR A 91 -3.880 -3.401 -4.717 1.00 0.00 C ATOM 1448 O TYR A 91 -5.015 -3.138 -5.115 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.257 -2.925 -2.341 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.579 -3.447 -1.092 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.854 -4.717 -0.599 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.655 -2.666 -0.408 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.227 -5.193 0.535 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.025 -3.135 0.729 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.313 -4.400 1.195 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.684 -4.873 2.323 1.00 0.00 O ATOM 0 H TYR A 91 -1.823 -4.891 -2.819 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.587 -4.475 -3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.589 -2.221 -2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.148 -2.368 -2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.570 -5.342 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.425 -1.675 -0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.452 -6.183 0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.311 -2.514 1.250 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.070 -4.190 2.666 1.00 0.00 H new ATOM 1466 N SER A 92 -2.788 -3.175 -5.442 1.00 0.00 N ATOM 1467 CA SER A 92 -2.864 -2.595 -6.778 1.00 0.00 C ATOM 1468 C SER A 92 -3.771 -3.428 -7.675 1.00 0.00 C ATOM 1469 O SER A 92 -4.440 -2.901 -8.564 1.00 0.00 O ATOM 1470 CB SER A 92 -1.467 -2.489 -7.394 1.00 0.00 C ATOM 1471 OG SER A 92 -1.059 -1.137 -7.507 1.00 0.00 O ATOM 0 H SER A 92 -1.841 -3.385 -5.126 1.00 0.00 H new ATOM 0 HA SER A 92 -3.287 -1.594 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.753 -3.037 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.464 -2.956 -8.379 1.00 0.00 H new ATOM 0 HG SER A 92 -0.085 -1.097 -7.610 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.794 -4.735 -7.430 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.624 -5.644 -8.212 1.00 0.00 C ATOM 1479 C GLU A 93 -6.070 -5.612 -7.725 1.00 0.00 C ATOM 1480 O GLU A 93 -6.999 -5.879 -8.487 1.00 0.00 O ATOM 1481 CB GLU A 93 -4.077 -7.070 -8.123 1.00 0.00 C ATOM 1482 CG GLU A 93 -3.056 -7.398 -9.200 1.00 0.00 C ATOM 1483 CD GLU A 93 -2.862 -8.891 -9.383 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -2.394 -9.549 -8.430 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -3.176 -9.400 -10.479 1.00 0.00 O ATOM 0 H GLU A 93 -3.248 -5.187 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.600 -5.317 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.619 -7.214 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.906 -7.774 -8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.376 -6.958 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.101 -6.940 -8.942 1.00 0.00 H new ATOM 1492 N TRP A 94 -6.254 -5.284 -6.448 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.587 -5.217 -5.858 1.00 0.00 C ATOM 1494 C TRP A 94 -8.172 -3.807 -5.954 1.00 0.00 C ATOM 1495 O TRP A 94 -9.338 -3.590 -5.625 1.00 0.00 O ATOM 1496 CB TRP A 94 -7.537 -5.656 -4.394 1.00 0.00 C ATOM 1497 CG TRP A 94 -7.619 -7.140 -4.214 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -6.581 -8.027 -4.234 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -8.804 -7.913 -3.988 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -7.048 -9.304 -4.034 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -8.409 -9.261 -3.881 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -10.160 -7.598 -3.867 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -9.321 -10.290 -3.659 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -11.064 -8.620 -3.645 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -10.642 -9.950 -3.542 1.00 0.00 C ATOM 0 H TRP A 94 -5.496 -5.061 -5.803 1.00 0.00 H new ATOM 0 HA TRP A 94 -8.233 -5.892 -6.420 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.612 -5.294 -3.945 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.359 -5.186 -3.853 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -5.545 -7.764 -4.385 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -6.475 -10.147 -4.004 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.496 -6.575 -3.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.998 -11.318 -3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -12.114 -8.388 -3.549 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -11.374 -10.725 -3.367 1.00 0.00 H new ATOM 1516 N THR A 95 -7.360 -2.851 -6.403 1.00 0.00 N ATOM 1517 CA THR A 95 -7.811 -1.471 -6.533 1.00 0.00 C ATOM 1518 C THR A 95 -8.881 -1.345 -7.613 1.00 0.00 C ATOM 1519 O THR A 95 -9.774 -0.504 -7.522 1.00 0.00 O ATOM 1520 CB THR A 95 -6.632 -0.554 -6.859 1.00 0.00 C ATOM 1521 OG1 THR A 95 -5.498 -0.900 -6.083 1.00 0.00 O ATOM 1522 CG2 THR A 95 -6.926 0.910 -6.614 1.00 0.00 C ATOM 0 H THR A 95 -6.391 -3.008 -6.681 1.00 0.00 H new ATOM 0 HA THR A 95 -8.245 -1.168 -5.580 1.00 0.00 H new ATOM 0 HB THR A 95 -6.442 -0.696 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.574 -0.495 -5.194 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.048 1.505 -6.865 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.765 1.222 -7.236 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.177 1.060 -5.564 1.00 0.00 H new ATOM 1530 N SER A 96 -8.781 -2.188 -8.637 1.00 0.00 N ATOM 1531 CA SER A 96 -9.742 -2.170 -9.735 1.00 0.00 C ATOM 1532 C SER A 96 -10.625 -3.416 -9.707 1.00 0.00 C ATOM 1533 O SER A 96 -10.157 -4.510 -9.391 1.00 0.00 O ATOM 1534 CB SER A 96 -9.011 -2.081 -11.077 1.00 0.00 C ATOM 1535 OG SER A 96 -9.916 -1.807 -12.133 1.00 0.00 O ATOM 0 H SER A 96 -8.047 -2.890 -8.729 1.00 0.00 H new ATOM 0 HA SER A 96 -10.378 -1.293 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.253 -1.299 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.490 -3.018 -11.274 1.00 0.00 H new ATOM 0 HG SER A 96 -10.037 -2.613 -12.678 1.00 0.00 H new ATOM 1541 N PRO A 97 -11.919 -3.269 -10.038 1.00 0.00 N ATOM 1542 CA PRO A 97 -12.863 -4.391 -10.047 1.00 0.00 C ATOM 1543 C PRO A 97 -12.575 -5.378 -11.173 1.00 0.00 C ATOM 1544 O PRO A 97 -12.555 -6.590 -10.960 1.00 0.00 O ATOM 1545 CB PRO A 97 -14.220 -3.717 -10.259 1.00 0.00 C ATOM 1546 CG PRO A 97 -13.903 -2.437 -10.955 1.00 0.00 C ATOM 1547 CD PRO A 97 -12.565 -2.000 -10.428 1.00 0.00 C ATOM 0 HA PRO A 97 -12.806 -4.979 -9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.882 -4.341 -10.859 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.725 -3.537 -9.310 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.870 -2.578 -12.035 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.666 -1.685 -10.755 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.987 -1.472 -11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.669 -1.325 -9.579 1.00 0.00 H new ATOM 1555 N ALA A 98 -12.354 -4.852 -12.373 1.00 0.00 N ATOM 1556 CA ALA A 98 -12.066 -5.688 -13.532 1.00 0.00 C ATOM 1557 C ALA A 98 -10.599 -5.584 -13.933 1.00 0.00 C ATOM 1558 O ALA A 98 -9.844 -4.795 -13.365 1.00 0.00 O ATOM 1559 CB ALA A 98 -12.961 -5.297 -14.699 1.00 0.00 C ATOM 0 H ALA A 98 -12.369 -3.851 -12.568 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.270 -6.724 -13.261 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.736 -5.929 -15.558 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.006 -5.428 -14.416 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.784 -4.254 -14.960 1.00 0.00 H new ATOM 1565 N GLU A 99 -10.201 -6.387 -14.916 1.00 0.00 N ATOM 1566 CA GLU A 99 -8.822 -6.385 -15.392 1.00 0.00 C ATOM 1567 C GLU A 99 -8.617 -5.309 -16.454 1.00 0.00 C ATOM 1568 O GLU A 99 -7.529 -4.747 -16.581 1.00 0.00 O ATOM 1569 CB GLU A 99 -8.455 -7.757 -15.960 1.00 0.00 C ATOM 1570 CG GLU A 99 -7.797 -8.679 -14.946 1.00 0.00 C ATOM 1571 CD GLU A 99 -7.107 -9.863 -15.595 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -7.807 -10.833 -15.956 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -5.867 -9.820 -15.742 1.00 0.00 O ATOM 0 H GLU A 99 -10.813 -7.046 -15.397 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.171 -6.165 -14.546 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.357 -8.236 -16.343 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.782 -7.622 -16.807 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.069 -8.113 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.551 -9.041 -14.247 1.00 0.00 H new ATOM 1580 N ASP A 100 -9.668 -5.027 -17.218 1.00 0.00 N ATOM 1581 CA ASP A 100 -9.602 -4.019 -18.268 1.00 0.00 C ATOM 1582 C ASP A 100 -10.991 -3.706 -18.811 1.00 0.00 C ATOM 1583 O ASP A 100 -11.165 -3.477 -20.009 1.00 0.00 O ATOM 1584 CB ASP A 100 -8.691 -4.494 -19.403 1.00 0.00 C ATOM 1585 CG ASP A 100 -7.926 -3.354 -20.047 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -8.524 -2.275 -20.244 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -6.730 -3.540 -20.352 1.00 0.00 O ATOM 0 H ASP A 100 -10.576 -5.483 -17.129 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.188 -3.108 -17.837 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.985 -5.228 -19.015 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.291 -4.998 -20.160 1.00 0.00 H new ATOM 1592 N SER A 101 -11.980 -3.698 -17.923 1.00 0.00 N ATOM 1593 CA SER A 101 -13.356 -3.412 -18.313 1.00 0.00 C ATOM 1594 C SER A 101 -13.851 -2.127 -17.657 1.00 0.00 C ATOM 1595 O SER A 101 -13.885 -1.087 -18.348 1.00 0.00 O ATOM 1596 CB SER A 101 -14.270 -4.578 -17.929 1.00 0.00 C ATOM 1597 OG SER A 101 -14.397 -5.501 -18.998 1.00 0.00 O ATOM 1598 OXT SER A 101 -14.201 -2.171 -16.460 1.00 0.00 O ATOM 0 H SER A 101 -11.854 -3.886 -16.928 1.00 0.00 H new ATOM 0 HA SER A 101 -13.381 -3.280 -19.395 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.868 -5.086 -17.052 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.254 -4.198 -17.654 1.00 0.00 H new ATOM 0 HG SER A 101 -14.984 -6.237 -18.727 1.00 0.00 H new TER 1604 SER A 101