USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 45 SER OG : rot 83:sc= 2.15 USER MOD Set 1.2: A 58 THR OG1 : rot 87:sc= 1.14 USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.909 K(o=-1.6,f=-8.6!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.737 X(o=-1.6,f=-1.3) USER MOD Single : A 1 ALA N :NH3+ 175:sc= 1 (180deg=0.97) USER MOD Single : A 4 THR OG1 : rot 142:sc= 1.18 USER MOD Single : A 12 GLN : amide:sc= 1.79 K(o=1.8,f=-9.9!) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= -0.0132 (180deg=-0.537) USER MOD Single : A 17 THR OG1 : rot -29:sc= 0.79 USER MOD Single : A 22 SER OG : rot -9:sc= -0.0836 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.298 USER MOD Single : A 32 THR OG1 : rot -170:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 45:sc= 0.412 USER MOD Single : A 46 HIS : no HD1:sc= 0.304 K(o=0.3,f=-7.4!) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 1.09 (180deg=0.964) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.506 K(o=0.51,f=-8.2!) USER MOD Single : A 55 MET CE :methyl -173:sc= 0 (180deg=-0.065) USER MOD Single : A 57 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-1.5) USER MOD Single : A 64 ASN : amide:sc= 1.19 K(o=1.2,f=-0.15) USER MOD Single : A 69 GLN : amide:sc= 0.12 K(o=0.12,f=-6.8!) USER MOD Single : A 70 THR OG1 : rot -48:sc= 0.407 USER MOD Single : A 71 SER OG : rot 180:sc= -0.141 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0175) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 0.0835 (180deg=-0.0477) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.118 10.788 -5.031 1.00 0.00 N ATOM 2 CA ALA A 1 7.817 9.772 -6.028 1.00 0.00 C ATOM 3 C ALA A 1 9.032 9.458 -6.916 1.00 0.00 C ATOM 4 O ALA A 1 8.881 9.253 -8.120 1.00 0.00 O ATOM 5 CB ALA A 1 6.622 10.239 -6.868 1.00 0.00 C ATOM 0 H1 ALA A 1 7.251 11.031 -4.510 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.830 10.423 -4.367 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.488 11.638 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 1 7.564 8.844 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.388 9.484 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.758 10.387 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.870 11.178 -7.363 1.00 0.00 H new ATOM 12 N VAL A 2 10.242 9.417 -6.350 1.00 0.00 N ATOM 13 CA VAL A 2 11.433 9.056 -7.111 1.00 0.00 C ATOM 14 C VAL A 2 11.297 7.573 -7.469 1.00 0.00 C ATOM 15 O VAL A 2 10.951 6.770 -6.607 1.00 0.00 O ATOM 16 CB VAL A 2 12.712 9.350 -6.305 1.00 0.00 C ATOM 17 CG1 VAL A 2 13.961 9.066 -7.150 1.00 0.00 C ATOM 18 CG2 VAL A 2 12.749 10.814 -5.843 1.00 0.00 C ATOM 0 H VAL A 2 10.418 9.630 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 2 11.517 9.650 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 2 12.703 8.698 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.854 9.280 -6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.967 8.018 -7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.951 9.698 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.663 10.994 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.726 11.471 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.884 11.018 -5.212 1.00 0.00 H new ATOM 28 N ILE A 3 11.561 7.184 -8.719 1.00 0.00 N ATOM 29 CA ILE A 3 11.352 5.810 -9.177 1.00 0.00 C ATOM 30 C ILE A 3 12.485 4.875 -8.719 1.00 0.00 C ATOM 31 O ILE A 3 13.073 4.144 -9.516 1.00 0.00 O ATOM 32 CB ILE A 3 11.104 5.790 -10.705 1.00 0.00 C ATOM 33 CG1 ILE A 3 10.155 6.909 -11.185 1.00 0.00 C ATOM 34 CG2 ILE A 3 10.539 4.436 -11.172 1.00 0.00 C ATOM 35 CD1 ILE A 3 8.760 6.871 -10.549 1.00 0.00 C ATOM 0 H ILE A 3 11.924 7.810 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 3 10.453 5.412 -8.706 1.00 0.00 H new ATOM 0 HB ILE A 3 12.085 5.959 -11.150 1.00 0.00 H new ATOM 0 HG12 ILE A 3 10.613 7.874 -10.970 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.050 6.840 -12.268 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.378 4.461 -12.250 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.246 3.643 -10.929 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.592 4.244 -10.668 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.159 7.691 -10.942 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.278 5.922 -10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 3 8.850 6.973 -9.468 1.00 0.00 H new ATOM 47 N THR A 4 12.788 4.853 -7.420 1.00 0.00 N ATOM 48 CA THR A 4 13.791 3.962 -6.847 1.00 0.00 C ATOM 49 C THR A 4 13.126 2.594 -6.651 1.00 0.00 C ATOM 50 O THR A 4 12.900 2.166 -5.524 1.00 0.00 O ATOM 51 CB THR A 4 14.341 4.568 -5.543 1.00 0.00 C ATOM 52 OG1 THR A 4 14.518 5.960 -5.711 1.00 0.00 O ATOM 53 CG2 THR A 4 15.681 3.940 -5.152 1.00 0.00 C ATOM 0 H THR A 4 12.339 5.459 -6.733 1.00 0.00 H new ATOM 0 HA THR A 4 14.652 3.835 -7.503 1.00 0.00 H new ATOM 0 HB THR A 4 13.622 4.366 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.267 6.424 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.039 4.392 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.551 2.868 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.409 4.112 -5.945 1.00 0.00 H new ATOM 61 N GLY A 5 12.789 1.947 -7.775 1.00 0.00 N ATOM 62 CA GLY A 5 12.066 0.684 -7.892 1.00 0.00 C ATOM 63 C GLY A 5 12.165 -0.225 -6.667 1.00 0.00 C ATOM 64 O GLY A 5 11.190 -0.378 -5.931 1.00 0.00 O ATOM 0 H GLY A 5 13.035 2.325 -8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.015 0.899 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.444 0.144 -8.760 1.00 0.00 H new ATOM 68 N ALA A 6 13.329 -0.853 -6.479 1.00 0.00 N ATOM 69 CA ALA A 6 13.584 -1.729 -5.343 1.00 0.00 C ATOM 70 C ALA A 6 13.953 -0.863 -4.141 1.00 0.00 C ATOM 71 O ALA A 6 14.823 0.000 -4.247 1.00 0.00 O ATOM 72 CB ALA A 6 14.701 -2.719 -5.683 1.00 0.00 C ATOM 0 H ALA A 6 14.121 -0.765 -7.116 1.00 0.00 H new ATOM 0 HA ALA A 6 12.695 -2.312 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.884 -3.369 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.404 -3.323 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.612 -2.171 -5.924 1.00 0.00 H new ATOM 78 N CYS A 7 13.289 -1.089 -3.008 1.00 0.00 N ATOM 79 CA CYS A 7 13.429 -0.283 -1.805 1.00 0.00 C ATOM 80 C CYS A 7 13.407 -1.147 -0.555 1.00 0.00 C ATOM 81 O CYS A 7 13.178 -2.352 -0.609 1.00 0.00 O ATOM 82 CB CYS A 7 12.261 0.706 -1.763 1.00 0.00 C ATOM 83 SG CYS A 7 10.652 -0.120 -1.802 1.00 0.00 S ATOM 0 H CYS A 7 12.625 -1.856 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 7 14.386 0.239 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.334 1.311 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.336 1.388 -2.610 1.00 0.00 H new ATOM 88 N GLU A 8 13.646 -0.493 0.580 1.00 0.00 N ATOM 89 CA GLU A 8 13.557 -1.045 1.914 1.00 0.00 C ATOM 90 C GLU A 8 12.467 -0.266 2.658 1.00 0.00 C ATOM 91 O GLU A 8 11.636 -0.886 3.318 1.00 0.00 O ATOM 92 CB GLU A 8 14.913 -0.960 2.619 1.00 0.00 C ATOM 93 CG GLU A 8 16.000 -1.775 1.907 1.00 0.00 C ATOM 94 CD GLU A 8 17.345 -1.618 2.609 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.444 -2.076 3.770 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.247 -1.021 1.982 1.00 0.00 O ATOM 0 H GLU A 8 13.921 0.489 0.585 1.00 0.00 H new ATOM 0 HA GLU A 8 13.293 -2.102 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.224 0.083 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.809 -1.317 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.717 -2.827 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.086 -1.448 0.871 1.00 0.00 H new ATOM 103 N ARG A 9 12.445 1.072 2.537 1.00 0.00 N ATOM 104 CA ARG A 9 11.432 1.940 3.140 1.00 0.00 C ATOM 105 C ARG A 9 10.992 3.018 2.144 1.00 0.00 C ATOM 106 O ARG A 9 11.732 3.366 1.222 1.00 0.00 O ATOM 107 CB ARG A 9 11.912 2.603 4.440 1.00 0.00 C ATOM 108 CG ARG A 9 12.328 1.602 5.525 1.00 0.00 C ATOM 109 CD ARG A 9 13.820 1.264 5.454 1.00 0.00 C ATOM 110 NE ARG A 9 14.092 0.013 6.170 1.00 0.00 N ATOM 111 CZ ARG A 9 15.245 -0.664 6.123 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.328 -0.132 5.547 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.277 -1.899 6.625 1.00 0.00 N ATOM 0 H ARG A 9 13.147 1.586 2.005 1.00 0.00 H new ATOM 0 HA ARG A 9 10.586 1.301 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.757 3.254 4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.116 3.238 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.096 2.015 6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.744 0.688 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.130 1.170 4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.405 2.075 5.889 1.00 0.00 H new ATOM 0 HE ARG A 9 13.344 -0.370 6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.281 0.801 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.201 -0.659 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.435 -2.306 7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.143 -2.437 6.602 1.00 0.00 H new ATOM 127 N ASP A 10 9.787 3.555 2.376 1.00 0.00 N ATOM 128 CA ASP A 10 9.100 4.542 1.539 1.00 0.00 C ATOM 129 C ASP A 10 10.018 5.685 1.122 1.00 0.00 C ATOM 130 O ASP A 10 10.006 6.103 -0.033 1.00 0.00 O ATOM 131 CB ASP A 10 7.915 5.174 2.285 1.00 0.00 C ATOM 132 CG ASP A 10 6.962 4.211 2.955 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.599 3.165 2.377 1.00 0.00 O ATOM 134 OD2 ASP A 10 6.542 4.547 4.079 1.00 0.00 O ATOM 0 H ASP A 10 9.238 3.298 3.196 1.00 0.00 H new ATOM 0 HA ASP A 10 8.763 3.994 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.308 5.851 3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.349 5.781 1.578 1.00 0.00 H new ATOM 139 N LEU A 11 10.773 6.197 2.098 1.00 0.00 N ATOM 140 CA LEU A 11 11.702 7.318 2.003 1.00 0.00 C ATOM 141 C LEU A 11 12.500 7.312 0.698 1.00 0.00 C ATOM 142 O LEU A 11 12.698 8.360 0.089 1.00 0.00 O ATOM 143 CB LEU A 11 12.612 7.267 3.246 1.00 0.00 C ATOM 144 CG LEU A 11 13.602 8.427 3.466 1.00 0.00 C ATOM 145 CD1 LEU A 11 14.888 8.308 2.637 1.00 0.00 C ATOM 146 CD2 LEU A 11 12.955 9.803 3.279 1.00 0.00 C ATOM 0 H LEU A 11 10.746 5.809 3.041 1.00 0.00 H new ATOM 0 HA LEU A 11 11.148 8.257 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.972 7.203 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.186 6.342 3.202 1.00 0.00 H new ATOM 0 HG LEU A 11 13.897 8.339 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.535 9.160 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.406 7.386 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.637 8.293 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.700 10.581 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.565 9.887 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.140 9.922 3.993 1.00 0.00 H new ATOM 158 N GLN A 12 12.942 6.133 0.254 1.00 0.00 N ATOM 159 CA GLN A 12 13.750 5.989 -0.952 1.00 0.00 C ATOM 160 C GLN A 12 13.042 6.485 -2.221 1.00 0.00 C ATOM 161 O GLN A 12 13.715 6.767 -3.212 1.00 0.00 O ATOM 162 CB GLN A 12 14.183 4.525 -1.079 1.00 0.00 C ATOM 163 CG GLN A 12 15.122 4.156 0.078 1.00 0.00 C ATOM 164 CD GLN A 12 15.302 2.652 0.191 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.694 2.020 1.050 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.124 2.058 -0.668 1.00 0.00 N ATOM 0 H GLN A 12 12.747 5.250 0.725 1.00 0.00 H new ATOM 0 HA GLN A 12 14.627 6.628 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.308 3.876 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.687 4.367 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.092 4.629 -0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.720 4.547 1.013 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.615 2.612 -1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.264 1.049 -0.625 1.00 0.00 H new ATOM 175 N CYS A 13 11.709 6.576 -2.200 1.00 0.00 N ATOM 176 CA CYS A 13 10.884 7.030 -3.314 1.00 0.00 C ATOM 177 C CYS A 13 10.069 8.247 -2.892 1.00 0.00 C ATOM 178 O CYS A 13 10.139 9.293 -3.536 1.00 0.00 O ATOM 179 CB CYS A 13 9.992 5.890 -3.797 1.00 0.00 C ATOM 180 SG CYS A 13 10.940 4.520 -4.482 1.00 0.00 S ATOM 0 H CYS A 13 11.160 6.326 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 13 11.521 7.329 -4.147 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.386 5.529 -2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.304 6.266 -4.554 1.00 0.00 H new ATOM 185 N GLY A 14 9.305 8.114 -1.806 1.00 0.00 N ATOM 186 CA GLY A 14 8.546 9.199 -1.211 1.00 0.00 C ATOM 187 C GLY A 14 7.099 9.317 -1.694 1.00 0.00 C ATOM 188 O GLY A 14 6.592 8.500 -2.471 1.00 0.00 O ATOM 0 H GLY A 14 9.199 7.229 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.542 9.069 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.060 10.138 -1.418 1.00 0.00 H new ATOM 192 N LYS A 15 6.452 10.368 -1.172 1.00 0.00 N ATOM 193 CA LYS A 15 5.077 10.770 -1.394 1.00 0.00 C ATOM 194 C LYS A 15 4.691 10.583 -2.856 1.00 0.00 C ATOM 195 O LYS A 15 5.260 11.199 -3.754 1.00 0.00 O ATOM 196 CB LYS A 15 4.864 12.222 -0.939 1.00 0.00 C ATOM 197 CG LYS A 15 5.176 12.481 0.546 1.00 0.00 C ATOM 198 CD LYS A 15 4.365 11.581 1.489 1.00 0.00 C ATOM 199 CE LYS A 15 4.534 12.029 2.945 1.00 0.00 C ATOM 200 NZ LYS A 15 3.742 11.185 3.857 1.00 0.00 N ATOM 0 H LYS A 15 6.926 11.005 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 15 4.426 10.132 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.490 12.875 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.828 12.501 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.239 12.320 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.968 13.525 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.311 11.614 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.691 10.546 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.587 11.981 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.224 13.069 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.451 11.745 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.897 10.836 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.318 10.378 4.171 1.00 0.00 H new ATOM 214 N GLY A 16 3.716 9.701 -3.049 1.00 0.00 N ATOM 215 CA GLY A 16 3.220 9.244 -4.336 1.00 0.00 C ATOM 216 C GLY A 16 3.350 7.724 -4.388 1.00 0.00 C ATOM 217 O GLY A 16 2.604 7.051 -5.099 1.00 0.00 O ATOM 0 H GLY A 16 3.226 9.264 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.180 9.541 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.788 9.702 -5.146 1.00 0.00 H new ATOM 221 N THR A 17 4.285 7.174 -3.606 1.00 0.00 N ATOM 222 CA THR A 17 4.514 5.748 -3.517 1.00 0.00 C ATOM 223 C THR A 17 4.771 5.360 -2.061 1.00 0.00 C ATOM 224 O THR A 17 4.954 6.233 -1.212 1.00 0.00 O ATOM 225 CB THR A 17 5.751 5.401 -4.366 1.00 0.00 C ATOM 226 OG1 THR A 17 6.898 6.040 -3.834 1.00 0.00 O ATOM 227 CG2 THR A 17 5.635 5.815 -5.837 1.00 0.00 C ATOM 0 H THR A 17 4.907 7.724 -3.013 1.00 0.00 H new ATOM 0 HA THR A 17 3.642 5.205 -3.881 1.00 0.00 H new ATOM 0 HB THR A 17 5.831 4.315 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.631 6.868 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.546 5.536 -6.366 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.782 5.310 -6.291 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.494 6.894 -5.901 1.00 0.00 H new ATOM 235 N CYS A 18 4.766 4.057 -1.777 1.00 0.00 N ATOM 236 CA CYS A 18 5.156 3.490 -0.497 1.00 0.00 C ATOM 237 C CYS A 18 5.938 2.209 -0.799 1.00 0.00 C ATOM 238 O CYS A 18 5.708 1.574 -1.831 1.00 0.00 O ATOM 239 CB CYS A 18 3.943 3.252 0.412 1.00 0.00 C ATOM 240 SG CYS A 18 3.423 1.528 0.543 1.00 0.00 S ATOM 0 H CYS A 18 4.481 3.351 -2.455 1.00 0.00 H new ATOM 0 HA CYS A 18 5.786 4.182 0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.176 3.624 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.106 3.842 0.039 1.00 0.00 H new ATOM 245 N CYS A 19 6.876 1.831 0.066 1.00 0.00 N ATOM 246 CA CYS A 19 7.698 0.648 -0.130 1.00 0.00 C ATOM 247 C CYS A 19 6.965 -0.579 0.403 1.00 0.00 C ATOM 248 O CYS A 19 6.900 -0.770 1.620 1.00 0.00 O ATOM 249 CB CYS A 19 9.050 0.838 0.551 1.00 0.00 C ATOM 250 SG CYS A 19 10.165 -0.518 0.169 1.00 0.00 S ATOM 0 H CYS A 19 7.085 2.341 0.924 1.00 0.00 H new ATOM 0 HA CYS A 19 7.881 0.495 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.494 1.780 0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.911 0.905 1.630 1.00 0.00 H new ATOM 255 N ALA A 20 6.395 -1.395 -0.489 1.00 0.00 N ATOM 256 CA ALA A 20 5.598 -2.567 -0.134 1.00 0.00 C ATOM 257 C ALA A 20 6.338 -3.864 -0.470 1.00 0.00 C ATOM 258 O ALA A 20 7.290 -3.847 -1.244 1.00 0.00 O ATOM 259 CB ALA A 20 4.259 -2.488 -0.863 1.00 0.00 C ATOM 0 H ALA A 20 6.478 -1.254 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 20 5.424 -2.574 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.653 -3.357 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.735 -1.580 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.431 -2.470 -1.939 1.00 0.00 H new ATOM 265 N VAL A 21 5.915 -4.990 0.109 1.00 0.00 N ATOM 266 CA VAL A 21 6.552 -6.291 -0.110 1.00 0.00 C ATOM 267 C VAL A 21 6.439 -6.713 -1.586 1.00 0.00 C ATOM 268 O VAL A 21 5.503 -6.299 -2.269 1.00 0.00 O ATOM 269 CB VAL A 21 5.880 -7.328 0.821 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.426 -8.750 0.656 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.083 -6.940 2.290 1.00 0.00 C ATOM 0 H VAL A 21 5.118 -5.025 0.745 1.00 0.00 H new ATOM 0 HA VAL A 21 7.615 -6.227 0.124 1.00 0.00 H new ATOM 0 HB VAL A 21 4.828 -7.323 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.907 -9.421 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.267 -9.084 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.493 -8.758 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.604 -7.680 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.149 -6.903 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.640 -5.961 2.472 1.00 0.00 H new ATOM 281 N SER A 22 7.364 -7.547 -2.085 1.00 0.00 N ATOM 282 CA SER A 22 7.314 -8.109 -3.427 1.00 0.00 C ATOM 283 C SER A 22 6.649 -9.492 -3.387 1.00 0.00 C ATOM 284 O SER A 22 7.179 -10.417 -2.773 1.00 0.00 O ATOM 285 CB SER A 22 8.738 -8.219 -3.958 1.00 0.00 C ATOM 286 OG SER A 22 9.356 -6.956 -3.884 1.00 0.00 O ATOM 0 H SER A 22 8.179 -7.850 -1.551 1.00 0.00 H new ATOM 0 HA SER A 22 6.727 -7.466 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.301 -8.948 -3.375 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.729 -8.573 -4.989 1.00 0.00 H new ATOM 0 HG SER A 22 8.688 -6.278 -3.649 1.00 0.00 H new ATOM 292 N LEU A 23 5.513 -9.648 -4.078 1.00 0.00 N ATOM 293 CA LEU A 23 4.696 -10.865 -4.115 1.00 0.00 C ATOM 294 C LEU A 23 5.465 -12.143 -4.464 1.00 0.00 C ATOM 295 O LEU A 23 5.014 -13.231 -4.117 1.00 0.00 O ATOM 296 CB LEU A 23 3.528 -10.677 -5.104 1.00 0.00 C ATOM 297 CG LEU A 23 2.323 -9.948 -4.487 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.435 -8.434 -4.664 1.00 0.00 C ATOM 299 CD2 LEU A 23 1.016 -10.388 -5.145 1.00 0.00 C ATOM 0 H LEU A 23 5.123 -8.899 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 23 4.332 -11.007 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.880 -10.115 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.207 -11.653 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 23 2.321 -10.203 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.567 -7.950 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.342 -8.077 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.477 -8.194 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.182 -9.856 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.051 -10.162 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.882 -11.461 -5.006 1.00 0.00 H new ATOM 311 N TRP A 24 6.620 -12.028 -5.120 1.00 0.00 N ATOM 312 CA TRP A 24 7.378 -13.170 -5.613 1.00 0.00 C ATOM 313 C TRP A 24 8.519 -13.556 -4.674 1.00 0.00 C ATOM 314 O TRP A 24 8.986 -14.691 -4.734 1.00 0.00 O ATOM 315 CB TRP A 24 7.845 -12.852 -7.038 1.00 0.00 C ATOM 316 CG TRP A 24 6.696 -12.438 -7.907 1.00 0.00 C ATOM 317 CD1 TRP A 24 5.864 -13.291 -8.545 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.077 -11.121 -8.017 1.00 0.00 C ATOM 319 NE1 TRP A 24 4.759 -12.608 -9.009 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.817 -11.273 -8.664 1.00 0.00 C ATOM 321 CE3 TRP A 24 6.417 -9.826 -7.566 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.920 -10.207 -8.814 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.537 -8.741 -7.740 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.280 -8.936 -8.340 1.00 0.00 C ATOM 0 H TRP A 24 7.057 -11.129 -5.324 1.00 0.00 H new ATOM 0 HA TRP A 24 6.742 -14.055 -5.641 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.588 -12.055 -7.010 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.332 -13.728 -7.468 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.038 -14.349 -8.672 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.998 -13.034 -9.538 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.368 -9.666 -7.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.962 -10.362 -9.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 5.828 -7.754 -7.411 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.593 -8.109 -8.436 1.00 0.00 H new ATOM 335 N ILE A 25 8.963 -12.646 -3.800 1.00 0.00 N ATOM 336 CA ILE A 25 9.965 -12.937 -2.796 1.00 0.00 C ATOM 337 C ILE A 25 9.883 -11.874 -1.698 1.00 0.00 C ATOM 338 O ILE A 25 10.267 -10.723 -1.897 1.00 0.00 O ATOM 339 CB ILE A 25 11.367 -13.117 -3.411 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.228 -13.826 -2.358 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.008 -11.823 -3.925 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.603 -14.234 -2.893 1.00 0.00 C ATOM 0 H ILE A 25 8.628 -11.683 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 25 9.762 -13.902 -2.331 1.00 0.00 H new ATOM 0 HB ILE A 25 11.283 -13.719 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.358 -13.168 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.703 -14.713 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.991 -12.044 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.377 -11.387 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.112 -11.117 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.168 -14.731 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.478 -14.915 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.143 -13.346 -3.222 1.00 0.00 H new ATOM 354 N LYS A 26 9.388 -12.272 -0.524 1.00 0.00 N ATOM 355 CA LYS A 26 9.186 -11.407 0.618 1.00 0.00 C ATOM 356 C LYS A 26 10.443 -10.622 1.011 1.00 0.00 C ATOM 357 O LYS A 26 10.341 -9.543 1.589 1.00 0.00 O ATOM 358 CB LYS A 26 8.688 -12.275 1.775 1.00 0.00 C ATOM 359 CG LYS A 26 7.278 -12.826 1.514 1.00 0.00 C ATOM 360 CD LYS A 26 6.788 -13.616 2.733 1.00 0.00 C ATOM 361 CE LYS A 26 5.376 -14.160 2.488 1.00 0.00 C ATOM 362 NZ LYS A 26 4.884 -14.917 3.652 1.00 0.00 N ATOM 0 H LYS A 26 9.111 -13.237 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 26 8.449 -10.647 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.379 -13.104 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.684 -11.688 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.592 -12.006 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.287 -13.469 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.471 -14.440 2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.789 -12.974 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.698 -13.334 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.380 -14.803 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.926 -15.272 3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.519 -15.719 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.858 -14.295 4.485 1.00 0.00 H new ATOM 376 N SER A 27 11.623 -11.172 0.716 1.00 0.00 N ATOM 377 CA SER A 27 12.897 -10.542 1.013 1.00 0.00 C ATOM 378 C SER A 27 13.034 -9.176 0.330 1.00 0.00 C ATOM 379 O SER A 27 13.671 -8.282 0.885 1.00 0.00 O ATOM 380 CB SER A 27 14.032 -11.484 0.594 1.00 0.00 C ATOM 381 OG SER A 27 14.060 -11.635 -0.809 1.00 0.00 O ATOM 0 H SER A 27 11.714 -12.079 0.258 1.00 0.00 H new ATOM 0 HA SER A 27 12.953 -10.359 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.987 -11.089 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.898 -12.457 1.067 1.00 0.00 H new ATOM 0 HG SER A 27 14.791 -12.238 -1.059 1.00 0.00 H new ATOM 387 N VAL A 28 12.460 -9.016 -0.868 1.00 0.00 N ATOM 388 CA VAL A 28 12.551 -7.783 -1.636 1.00 0.00 C ATOM 389 C VAL A 28 11.264 -6.985 -1.441 1.00 0.00 C ATOM 390 O VAL A 28 10.167 -7.539 -1.334 1.00 0.00 O ATOM 391 CB VAL A 28 12.825 -8.102 -3.118 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.898 -6.828 -3.974 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.163 -8.840 -3.270 1.00 0.00 C ATOM 0 H VAL A 28 11.918 -9.747 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 28 13.384 -7.174 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 28 11.997 -8.723 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.093 -7.098 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.951 -6.292 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.702 -6.189 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.341 -9.058 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.969 -8.214 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.130 -9.773 -2.707 1.00 0.00 H new ATOM 403 N ARG A 29 11.393 -5.659 -1.417 1.00 0.00 N ATOM 404 CA ARG A 29 10.288 -4.732 -1.271 1.00 0.00 C ATOM 405 C ARG A 29 10.435 -3.715 -2.409 1.00 0.00 C ATOM 406 O ARG A 29 11.560 -3.396 -2.801 1.00 0.00 O ATOM 407 CB ARG A 29 10.296 -4.119 0.140 1.00 0.00 C ATOM 408 CG ARG A 29 10.657 -5.146 1.231 1.00 0.00 C ATOM 409 CD ARG A 29 10.608 -4.550 2.642 1.00 0.00 C ATOM 410 NE ARG A 29 9.222 -4.328 3.080 1.00 0.00 N ATOM 411 CZ ARG A 29 8.542 -3.183 2.938 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.148 -2.008 2.772 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.212 -3.193 2.943 1.00 0.00 N ATOM 0 H ARG A 29 12.297 -5.194 -1.501 1.00 0.00 H new ATOM 0 HA ARG A 29 9.312 -5.210 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.010 -3.296 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.314 -3.697 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.969 -5.989 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.657 -5.537 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.109 -5.221 3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.153 -3.606 2.660 1.00 0.00 H new ATOM 0 HE ARG A 29 8.740 -5.108 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.167 -1.958 2.749 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.593 -1.158 2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.709 -4.073 3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.695 -2.320 2.835 1.00 0.00 H new ATOM 427 N VAL A 30 9.322 -3.265 -2.992 1.00 0.00 N ATOM 428 CA VAL A 30 9.312 -2.373 -4.142 1.00 0.00 C ATOM 429 C VAL A 30 8.373 -1.185 -3.919 1.00 0.00 C ATOM 430 O VAL A 30 7.334 -1.286 -3.253 1.00 0.00 O ATOM 431 CB VAL A 30 8.961 -3.142 -5.429 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.075 -4.118 -5.824 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.632 -3.903 -5.316 1.00 0.00 C ATOM 0 H VAL A 30 8.388 -3.518 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 30 10.317 -1.968 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 30 8.854 -2.386 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.792 -4.643 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.999 -3.566 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.227 -4.841 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.433 -4.428 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.694 -4.624 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.825 -3.198 -5.116 1.00 0.00 H new ATOM 443 N CYS A 31 8.768 -0.036 -4.471 1.00 0.00 N ATOM 444 CA CYS A 31 8.021 1.206 -4.371 1.00 0.00 C ATOM 445 C CYS A 31 6.760 1.092 -5.204 1.00 0.00 C ATOM 446 O CYS A 31 6.791 1.227 -6.425 1.00 0.00 O ATOM 447 CB CYS A 31 8.865 2.391 -4.818 1.00 0.00 C ATOM 448 SG CYS A 31 10.093 2.865 -3.596 1.00 0.00 S ATOM 0 H CYS A 31 9.631 0.052 -5.008 1.00 0.00 H new ATOM 0 HA CYS A 31 7.751 1.379 -3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.366 2.143 -5.754 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.213 3.241 -5.021 1.00 0.00 H new ATOM 453 N THR A 32 5.649 0.845 -4.525 1.00 0.00 N ATOM 454 CA THR A 32 4.349 0.670 -5.130 1.00 0.00 C ATOM 455 C THR A 32 3.586 1.993 -4.987 1.00 0.00 C ATOM 456 O THR A 32 3.701 2.640 -3.947 1.00 0.00 O ATOM 457 CB THR A 32 3.673 -0.507 -4.420 1.00 0.00 C ATOM 458 OG1 THR A 32 4.550 -1.621 -4.442 1.00 0.00 O ATOM 459 CG2 THR A 32 2.366 -0.893 -5.114 1.00 0.00 C ATOM 0 H THR A 32 5.633 0.760 -3.509 1.00 0.00 H new ATOM 0 HA THR A 32 4.391 0.435 -6.194 1.00 0.00 H new ATOM 0 HB THR A 32 3.448 -0.211 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.072 -2.419 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.909 -1.731 -4.588 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.684 -0.043 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.573 -1.181 -6.145 1.00 0.00 H new ATOM 467 N PRO A 33 2.869 2.453 -6.024 1.00 0.00 N ATOM 468 CA PRO A 33 2.074 3.671 -5.960 1.00 0.00 C ATOM 469 C PRO A 33 1.078 3.648 -4.799 1.00 0.00 C ATOM 470 O PRO A 33 0.626 2.573 -4.401 1.00 0.00 O ATOM 471 CB PRO A 33 1.317 3.732 -7.290 1.00 0.00 C ATOM 472 CG PRO A 33 2.215 2.957 -8.252 1.00 0.00 C ATOM 473 CD PRO A 33 2.834 1.881 -7.359 1.00 0.00 C ATOM 0 HA PRO A 33 2.714 4.538 -5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.329 3.278 -7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.169 4.760 -7.620 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.645 2.521 -9.072 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.976 3.598 -8.698 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.241 0.967 -7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.836 1.618 -7.699 1.00 0.00 H new ATOM 481 N VAL A 34 0.723 4.819 -4.256 1.00 0.00 N ATOM 482 CA VAL A 34 -0.358 4.860 -3.272 1.00 0.00 C ATOM 483 C VAL A 34 -1.636 4.343 -3.950 1.00 0.00 C ATOM 484 O VAL A 34 -1.821 4.498 -5.160 1.00 0.00 O ATOM 485 CB VAL A 34 -0.586 6.264 -2.679 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.359 6.565 -1.511 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.471 7.372 -3.726 1.00 0.00 C ATOM 0 H VAL A 34 1.152 5.719 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.080 4.228 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.610 6.252 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.158 7.566 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.201 5.835 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.392 6.509 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.641 8.339 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.526 7.354 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.216 7.214 -4.506 1.00 0.00 H new ATOM 497 N GLY A 35 -2.518 3.713 -3.173 1.00 0.00 N ATOM 498 CA GLY A 35 -3.744 3.143 -3.697 1.00 0.00 C ATOM 499 C GLY A 35 -4.573 4.177 -4.454 1.00 0.00 C ATOM 500 O GLY A 35 -4.543 5.364 -4.149 1.00 0.00 O ATOM 0 H GLY A 35 -2.397 3.588 -2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.504 2.313 -4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.334 2.734 -2.877 1.00 0.00 H new ATOM 504 N THR A 36 -5.311 3.725 -5.459 1.00 0.00 N ATOM 505 CA THR A 36 -6.163 4.541 -6.311 1.00 0.00 C ATOM 506 C THR A 36 -7.474 3.755 -6.454 1.00 0.00 C ATOM 507 O THR A 36 -7.518 2.586 -6.071 1.00 0.00 O ATOM 508 CB THR A 36 -5.421 4.777 -7.640 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.202 5.447 -7.380 1.00 0.00 O ATOM 510 CG2 THR A 36 -6.204 5.639 -8.635 1.00 0.00 C ATOM 0 H THR A 36 -5.333 2.737 -5.713 1.00 0.00 H new ATOM 0 HA THR A 36 -6.392 5.529 -5.913 1.00 0.00 H new ATOM 0 HB THR A 36 -5.274 3.792 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.725 5.598 -8.223 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.620 5.763 -9.547 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.150 5.152 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.400 6.616 -8.194 1.00 0.00 H new ATOM 518 N SER A 37 -8.535 4.378 -6.972 1.00 0.00 N ATOM 519 CA SER A 37 -9.857 3.781 -7.125 1.00 0.00 C ATOM 520 C SER A 37 -9.794 2.368 -7.717 1.00 0.00 C ATOM 521 O SER A 37 -9.525 2.231 -8.910 1.00 0.00 O ATOM 522 CB SER A 37 -10.689 4.695 -8.030 1.00 0.00 C ATOM 523 OG SER A 37 -9.926 5.002 -9.180 1.00 0.00 O ATOM 0 H SER A 37 -8.493 5.341 -7.306 1.00 0.00 H new ATOM 0 HA SER A 37 -10.314 3.686 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.619 4.203 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.960 5.608 -7.500 1.00 0.00 H new ATOM 0 HG SER A 37 -9.503 4.186 -9.520 1.00 0.00 H new ATOM 529 N GLY A 38 -10.053 1.343 -6.898 1.00 0.00 N ATOM 530 CA GLY A 38 -10.093 -0.055 -7.308 1.00 0.00 C ATOM 531 C GLY A 38 -8.862 -0.859 -6.886 1.00 0.00 C ATOM 532 O GLY A 38 -8.923 -2.087 -6.869 1.00 0.00 O ATOM 0 H GLY A 38 -10.245 1.472 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.983 -0.522 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.192 -0.103 -8.392 1.00 0.00 H new ATOM 536 N GLU A 39 -7.748 -0.203 -6.548 1.00 0.00 N ATOM 537 CA GLU A 39 -6.534 -0.909 -6.155 1.00 0.00 C ATOM 538 C GLU A 39 -6.747 -1.681 -4.851 1.00 0.00 C ATOM 539 O GLU A 39 -7.495 -1.237 -3.979 1.00 0.00 O ATOM 540 CB GLU A 39 -5.367 0.073 -5.988 1.00 0.00 C ATOM 541 CG GLU A 39 -5.014 0.812 -7.290 1.00 0.00 C ATOM 542 CD GLU A 39 -4.576 -0.134 -8.405 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.803 -1.065 -8.093 1.00 0.00 O ATOM 544 OE2 GLU A 39 -5.023 0.094 -9.550 1.00 0.00 O ATOM 0 H GLU A 39 -7.666 0.814 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.292 -1.618 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.621 0.803 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.490 -0.470 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.879 1.384 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.216 1.527 -7.092 1.00 0.00 H new ATOM 551 N ASP A 40 -6.072 -2.827 -4.724 1.00 0.00 N ATOM 552 CA ASP A 40 -6.117 -3.656 -3.526 1.00 0.00 C ATOM 553 C ASP A 40 -5.578 -2.864 -2.335 1.00 0.00 C ATOM 554 O ASP A 40 -4.685 -2.033 -2.505 1.00 0.00 O ATOM 555 CB ASP A 40 -5.276 -4.921 -3.747 1.00 0.00 C ATOM 556 CG ASP A 40 -5.322 -5.870 -2.552 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.435 -6.060 -2.018 1.00 0.00 O ATOM 558 OD2 ASP A 40 -4.244 -6.400 -2.208 1.00 0.00 O ATOM 0 H ASP A 40 -5.475 -3.205 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.147 -3.947 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.635 -5.442 -4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.242 -4.637 -3.941 1.00 0.00 H new ATOM 563 N CYS A 41 -6.101 -3.119 -1.136 1.00 0.00 N ATOM 564 CA CYS A 41 -5.667 -2.436 0.075 1.00 0.00 C ATOM 565 C CYS A 41 -5.638 -3.418 1.238 1.00 0.00 C ATOM 566 O CYS A 41 -6.171 -4.520 1.152 1.00 0.00 O ATOM 567 CB CYS A 41 -6.620 -1.284 0.415 1.00 0.00 C ATOM 568 SG CYS A 41 -5.986 -0.090 1.609 1.00 0.00 S ATOM 0 H CYS A 41 -6.838 -3.806 -0.980 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.668 -2.034 -0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.869 -0.756 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.548 -1.704 0.803 1.00 0.00 H new ATOM 573 N HIS A 42 -4.994 -3.005 2.321 1.00 0.00 N ATOM 574 CA HIS A 42 -4.972 -3.671 3.606 1.00 0.00 C ATOM 575 C HIS A 42 -5.021 -2.531 4.623 1.00 0.00 C ATOM 576 O HIS A 42 -4.151 -1.658 4.557 1.00 0.00 O ATOM 577 CB HIS A 42 -3.723 -4.544 3.760 1.00 0.00 C ATOM 578 CG HIS A 42 -3.799 -5.424 4.974 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.031 -4.898 6.244 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.731 -6.788 5.064 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.094 -5.967 7.042 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.924 -7.124 6.386 1.00 0.00 N ATOM 0 H HIS A 42 -4.443 -2.147 2.321 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.805 -4.361 3.738 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.601 -5.162 2.871 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.841 -3.907 3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.558 -7.475 4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.264 -5.906 8.107 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.935 -8.063 6.785 1.00 0.00 H new ATOM 590 N PRO A 43 -5.999 -2.475 5.538 1.00 0.00 N ATOM 591 CA PRO A 43 -6.110 -1.371 6.479 1.00 0.00 C ATOM 592 C PRO A 43 -4.869 -1.240 7.369 1.00 0.00 C ATOM 593 O PRO A 43 -4.629 -0.163 7.908 1.00 0.00 O ATOM 594 CB PRO A 43 -7.374 -1.652 7.296 1.00 0.00 C ATOM 595 CG PRO A 43 -7.516 -3.171 7.213 1.00 0.00 C ATOM 596 CD PRO A 43 -7.021 -3.473 5.800 1.00 0.00 C ATOM 0 HA PRO A 43 -6.177 -0.416 5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.270 -1.313 8.327 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.243 -1.143 6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.916 -3.677 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.548 -3.491 7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.614 -4.482 5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.832 -3.407 5.075 1.00 0.00 H new ATOM 604 N ALA A 44 -4.054 -2.297 7.498 1.00 0.00 N ATOM 605 CA ALA A 44 -2.860 -2.268 8.327 1.00 0.00 C ATOM 606 C ALA A 44 -1.601 -2.013 7.495 1.00 0.00 C ATOM 607 O ALA A 44 -0.504 -2.247 7.995 1.00 0.00 O ATOM 608 CB ALA A 44 -2.743 -3.576 9.113 1.00 0.00 C ATOM 0 H ALA A 44 -4.211 -3.189 7.029 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.951 -1.440 9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.847 -3.549 9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.620 -3.698 9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.679 -4.413 8.418 1.00 0.00 H new ATOM 614 N SER A 45 -1.722 -1.481 6.266 1.00 0.00 N ATOM 615 CA SER A 45 -0.547 -1.119 5.481 1.00 0.00 C ATOM 616 C SER A 45 0.330 -0.065 6.168 1.00 0.00 C ATOM 617 O SER A 45 1.504 0.091 5.837 1.00 0.00 O ATOM 618 CB SER A 45 -0.957 -0.681 4.071 1.00 0.00 C ATOM 619 OG SER A 45 -1.667 -1.690 3.379 1.00 0.00 O ATOM 0 H SER A 45 -2.614 -1.297 5.806 1.00 0.00 H new ATOM 0 HA SER A 45 0.071 -2.013 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.575 0.215 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.066 -0.413 3.503 1.00 0.00 H new ATOM 0 HG SER A 45 -2.610 -1.668 3.646 1.00 0.00 H new ATOM 625 N HIS A 46 -0.277 0.638 7.117 1.00 0.00 N ATOM 626 CA HIS A 46 0.252 1.657 8.022 1.00 0.00 C ATOM 627 C HIS A 46 0.410 3.029 7.372 1.00 0.00 C ATOM 628 O HIS A 46 0.355 3.159 6.151 1.00 0.00 O ATOM 629 CB HIS A 46 1.541 1.187 8.710 1.00 0.00 C ATOM 630 CG HIS A 46 1.606 1.540 10.173 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.427 2.846 10.626 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.748 0.714 11.257 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.480 2.758 11.958 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.675 1.502 12.387 1.00 0.00 N ATOM 0 H HIS A 46 -1.271 0.491 7.293 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.503 1.793 8.797 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.628 0.106 8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.397 1.628 8.200 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.891 -0.356 11.231 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.377 3.606 12.618 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.754 1.192 13.355 1.00 0.00 H new ATOM 642 N LYS A 47 0.625 4.054 8.196 1.00 0.00 N ATOM 643 CA LYS A 47 0.720 5.449 7.757 1.00 0.00 C ATOM 644 C LYS A 47 1.935 5.696 6.851 1.00 0.00 C ATOM 645 O LYS A 47 2.681 4.766 6.546 1.00 0.00 O ATOM 646 CB LYS A 47 0.616 6.405 8.959 1.00 0.00 C ATOM 647 CG LYS A 47 1.727 6.317 10.017 1.00 0.00 C ATOM 648 CD LYS A 47 3.010 7.065 9.636 1.00 0.00 C ATOM 649 CE LYS A 47 3.928 7.169 10.861 1.00 0.00 C ATOM 650 NZ LYS A 47 5.129 7.968 10.569 1.00 0.00 N ATOM 0 H LYS A 47 0.740 3.939 9.203 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.136 5.670 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.590 7.426 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.338 6.225 9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.351 6.717 10.958 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.968 5.268 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.522 6.542 8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.766 8.061 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.382 7.621 11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.223 6.170 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.825 7.839 11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.542 7.657 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.870 8.973 10.503 1.00 0.00 H new ATOM 664 N ILE A 48 2.136 6.933 6.379 1.00 0.00 N ATOM 665 CA ILE A 48 3.228 7.301 5.477 1.00 0.00 C ATOM 666 C ILE A 48 3.952 8.528 6.047 1.00 0.00 C ATOM 667 O ILE A 48 3.268 9.467 6.451 1.00 0.00 O ATOM 668 CB ILE A 48 2.683 7.602 4.060 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.602 6.599 3.609 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.840 7.635 3.047 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.112 6.840 2.177 1.00 0.00 C ATOM 0 H ILE A 48 1.531 7.719 6.619 1.00 0.00 H new ATOM 0 HA ILE A 48 3.929 6.470 5.396 1.00 0.00 H new ATOM 0 HB ILE A 48 2.204 8.580 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.001 5.587 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.754 6.658 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.447 7.847 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.550 8.412 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.344 6.669 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.353 6.100 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.684 7.840 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.950 6.752 1.486 1.00 0.00 H new ATOM 683 N PRO A 49 5.297 8.574 6.063 1.00 0.00 N ATOM 684 CA PRO A 49 6.220 7.482 5.772 1.00 0.00 C ATOM 685 C PRO A 49 6.221 6.498 6.945 1.00 0.00 C ATOM 686 O PRO A 49 6.073 6.912 8.092 1.00 0.00 O ATOM 687 CB PRO A 49 7.587 8.152 5.619 1.00 0.00 C ATOM 688 CG PRO A 49 7.500 9.337 6.582 1.00 0.00 C ATOM 689 CD PRO A 49 6.033 9.759 6.478 1.00 0.00 C ATOM 0 HA PRO A 49 5.950 6.920 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.400 7.476 5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.764 8.477 4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.766 9.050 7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.173 10.143 6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.666 10.130 7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.911 10.566 5.756 1.00 0.00 H new ATOM 697 N PHE A 50 6.367 5.201 6.675 1.00 0.00 N ATOM 698 CA PHE A 50 6.414 4.175 7.704 1.00 0.00 C ATOM 699 C PHE A 50 7.870 3.797 7.953 1.00 0.00 C ATOM 700 O PHE A 50 8.501 3.160 7.111 1.00 0.00 O ATOM 701 CB PHE A 50 5.593 2.950 7.288 1.00 0.00 C ATOM 702 CG PHE A 50 5.509 1.891 8.370 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.922 2.208 9.610 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.088 0.623 8.177 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.956 1.280 10.664 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.067 -0.325 9.215 1.00 0.00 C ATOM 707 CZ PHE A 50 5.516 0.008 10.463 1.00 0.00 C ATOM 0 H PHE A 50 6.456 4.835 5.727 1.00 0.00 H new ATOM 0 HA PHE A 50 5.977 4.561 8.625 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.585 3.269 7.022 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.035 2.512 6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.445 3.166 9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.549 0.378 7.231 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.551 1.545 11.630 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.475 -1.311 9.052 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.523 -0.713 11.267 1.00 0.00 H new ATOM 717 N SER A 51 8.411 4.191 9.107 1.00 0.00 N ATOM 718 CA SER A 51 9.778 3.902 9.509 1.00 0.00 C ATOM 719 C SER A 51 9.943 2.427 9.899 1.00 0.00 C ATOM 720 O SER A 51 10.319 2.122 11.029 1.00 0.00 O ATOM 721 CB SER A 51 10.131 4.833 10.675 1.00 0.00 C ATOM 722 OG SER A 51 9.685 6.146 10.386 1.00 0.00 O ATOM 0 H SER A 51 7.894 4.732 9.800 1.00 0.00 H new ATOM 0 HA SER A 51 10.458 4.077 8.676 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.667 4.474 11.594 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.208 4.832 10.841 1.00 0.00 H new ATOM 0 HG SER A 51 9.910 6.740 11.133 1.00 0.00 H new ATOM 728 N GLY A 52 9.669 1.509 8.973 1.00 0.00 N ATOM 729 CA GLY A 52 9.759 0.080 9.198 1.00 0.00 C ATOM 730 C GLY A 52 9.322 -0.648 7.933 1.00 0.00 C ATOM 731 O GLY A 52 9.114 -0.022 6.894 1.00 0.00 O ATOM 0 H GLY A 52 9.372 1.751 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.781 -0.197 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.127 -0.210 10.037 1.00 0.00 H new ATOM 735 N GLN A 53 9.164 -1.970 8.021 1.00 0.00 N ATOM 736 CA GLN A 53 8.764 -2.794 6.893 1.00 0.00 C ATOM 737 C GLN A 53 7.249 -2.972 6.901 1.00 0.00 C ATOM 738 O GLN A 53 6.707 -3.577 7.825 1.00 0.00 O ATOM 739 CB GLN A 53 9.477 -4.157 6.957 1.00 0.00 C ATOM 740 CG GLN A 53 10.978 -4.066 7.281 1.00 0.00 C ATOM 741 CD GLN A 53 11.708 -2.984 6.493 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.507 -2.237 7.050 1.00 0.00 O ATOM 743 NE2 GLN A 53 11.429 -2.881 5.200 1.00 0.00 N ATOM 0 H GLN A 53 9.312 -2.495 8.883 1.00 0.00 H new ATOM 0 HA GLN A 53 9.052 -2.303 5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.990 -4.775 7.712 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.353 -4.665 6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.100 -3.872 8.347 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.444 -5.030 7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.759 -3.519 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.884 -2.164 4.636 1.00 0.00 H new ATOM 752 N ARG A 54 6.549 -2.430 5.900 1.00 0.00 N ATOM 753 CA ARG A 54 5.114 -2.648 5.776 1.00 0.00 C ATOM 754 C ARG A 54 4.952 -4.140 5.486 1.00 0.00 C ATOM 755 O ARG A 54 5.435 -4.613 4.461 1.00 0.00 O ATOM 756 CB ARG A 54 4.518 -1.805 4.639 1.00 0.00 C ATOM 757 CG ARG A 54 4.798 -0.306 4.800 1.00 0.00 C ATOM 758 CD ARG A 54 4.305 0.436 3.555 1.00 0.00 C ATOM 759 NE ARG A 54 4.542 1.884 3.656 1.00 0.00 N ATOM 760 CZ ARG A 54 3.719 2.743 4.272 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.612 2.319 4.873 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.999 4.035 4.316 1.00 0.00 N ATOM 0 H ARG A 54 6.954 -1.842 5.171 1.00 0.00 H new ATOM 0 HA ARG A 54 4.587 -2.350 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.926 -2.146 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.441 -1.966 4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.295 0.076 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.866 -0.136 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.812 0.045 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.240 0.250 3.418 1.00 0.00 H new ATOM 0 HE ARG A 54 5.389 2.259 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.378 1.326 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.996 2.986 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.850 4.388 3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.364 4.679 4.788 1.00 0.00 H new ATOM 776 N MET A 55 4.274 -4.896 6.346 1.00 0.00 N ATOM 777 CA MET A 55 4.166 -6.345 6.214 1.00 0.00 C ATOM 778 C MET A 55 3.099 -6.749 5.191 1.00 0.00 C ATOM 779 O MET A 55 2.421 -7.758 5.369 1.00 0.00 O ATOM 780 CB MET A 55 3.896 -6.950 7.600 1.00 0.00 C ATOM 781 CG MET A 55 5.009 -6.601 8.600 1.00 0.00 C ATOM 782 SD MET A 55 4.907 -7.440 10.202 1.00 0.00 S ATOM 783 CE MET A 55 3.357 -6.759 10.833 1.00 0.00 C ATOM 0 H MET A 55 3.783 -4.519 7.156 1.00 0.00 H new ATOM 0 HA MET A 55 5.107 -6.741 5.831 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.941 -6.584 7.977 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.811 -8.033 7.514 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.970 -6.839 8.145 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.995 -5.525 8.771 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.212 -7.080 11.865 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.395 -5.670 10.793 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.528 -7.116 10.222 1.00 0.00 H new ATOM 793 N HIS A 56 2.957 -5.972 4.114 1.00 0.00 N ATOM 794 CA HIS A 56 1.972 -6.197 3.067 1.00 0.00 C ATOM 795 C HIS A 56 2.503 -5.691 1.726 1.00 0.00 C ATOM 796 O HIS A 56 3.439 -4.893 1.665 1.00 0.00 O ATOM 797 CB HIS A 56 0.643 -5.494 3.409 1.00 0.00 C ATOM 798 CG HIS A 56 0.111 -5.796 4.784 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.259 -4.885 5.829 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.486 -6.930 5.263 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.237 -5.509 6.898 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.684 -6.743 6.616 1.00 0.00 N ATOM 0 H HIS A 56 3.540 -5.152 3.947 1.00 0.00 H new ATOM 0 HA HIS A 56 1.787 -7.269 2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.782 -4.417 3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.106 -5.783 2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.752 -7.806 4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.275 -5.069 7.884 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.090 -7.410 7.272 1.00 0.00 H new ATOM 810 N HIS A 57 1.890 -6.168 0.643 1.00 0.00 N ATOM 811 CA HIS A 57 2.185 -5.753 -0.725 1.00 0.00 C ATOM 812 C HIS A 57 1.395 -4.500 -1.096 1.00 0.00 C ATOM 813 O HIS A 57 1.574 -3.944 -2.177 1.00 0.00 O ATOM 814 CB HIS A 57 1.800 -6.867 -1.689 1.00 0.00 C ATOM 815 CG HIS A 57 2.358 -8.189 -1.264 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.658 -9.002 -0.381 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.576 -8.753 -1.522 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.480 -10.028 -0.168 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.644 -9.931 -0.820 1.00 0.00 N ATOM 0 H HIS A 57 1.155 -6.873 0.696 1.00 0.00 H new ATOM 0 HA HIS A 57 3.252 -5.539 -0.792 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.714 -6.934 -1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.162 -6.624 -2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.345 -8.346 -2.162 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.230 -10.861 0.472 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.419 -10.593 -0.800 1.00 0.00 H new ATOM 827 N THR A 58 0.503 -4.067 -0.207 1.00 0.00 N ATOM 828 CA THR A 58 -0.401 -2.968 -0.426 1.00 0.00 C ATOM 829 C THR A 58 0.134 -1.702 0.233 1.00 0.00 C ATOM 830 O THR A 58 0.834 -1.760 1.244 1.00 0.00 O ATOM 831 CB THR A 58 -1.743 -3.386 0.184 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.551 -3.777 1.532 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.324 -4.595 -0.563 1.00 0.00 C ATOM 0 H THR A 58 0.396 -4.494 0.713 1.00 0.00 H new ATOM 0 HA THR A 58 -0.512 -2.746 -1.487 1.00 0.00 H new ATOM 0 HB THR A 58 -2.423 -2.537 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.605 -2.989 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.277 -4.876 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.478 -4.336 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.630 -5.433 -0.495 1.00 0.00 H new ATOM 841 N CYS A 59 -0.208 -0.556 -0.351 1.00 0.00 N ATOM 842 CA CYS A 59 0.111 0.761 0.169 1.00 0.00 C ATOM 843 C CYS A 59 -1.210 1.402 0.556 1.00 0.00 C ATOM 844 O CYS A 59 -2.243 1.009 0.009 1.00 0.00 O ATOM 845 CB CYS A 59 0.775 1.618 -0.914 1.00 0.00 C ATOM 846 SG CYS A 59 2.485 1.189 -1.270 1.00 0.00 S ATOM 0 H CYS A 59 -0.731 -0.523 -1.226 1.00 0.00 H new ATOM 0 HA CYS A 59 0.795 0.684 1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.195 1.532 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.733 2.663 -0.607 1.00 0.00 H new ATOM 851 N PRO A 60 -1.223 2.367 1.488 1.00 0.00 N ATOM 852 CA PRO A 60 -2.445 3.080 1.784 1.00 0.00 C ATOM 853 C PRO A 60 -2.937 3.769 0.522 1.00 0.00 C ATOM 854 O PRO A 60 -2.183 3.999 -0.425 1.00 0.00 O ATOM 855 CB PRO A 60 -2.113 4.118 2.851 1.00 0.00 C ATOM 856 CG PRO A 60 -0.854 3.548 3.481 1.00 0.00 C ATOM 857 CD PRO A 60 -0.140 2.851 2.323 1.00 0.00 C ATOM 0 HA PRO A 60 -3.224 2.405 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.940 5.104 2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.918 4.225 3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.235 4.333 3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.091 2.848 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.507 3.540 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.489 2.034 2.675 1.00 0.00 H new ATOM 865 N CYS A 61 -4.214 4.111 0.531 1.00 0.00 N ATOM 866 CA CYS A 61 -4.844 4.765 -0.597 1.00 0.00 C ATOM 867 C CYS A 61 -4.347 6.201 -0.681 1.00 0.00 C ATOM 868 O CYS A 61 -3.878 6.763 0.309 1.00 0.00 O ATOM 869 CB CYS A 61 -6.366 4.779 -0.412 1.00 0.00 C ATOM 870 SG CYS A 61 -7.125 3.206 0.034 1.00 0.00 S ATOM 0 H CYS A 61 -4.839 3.943 1.319 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.594 4.224 -1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.611 5.509 0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.821 5.129 -1.339 1.00 0.00 H new ATOM 875 N ALA A 62 -4.468 6.808 -1.862 1.00 0.00 N ATOM 876 CA ALA A 62 -4.197 8.217 -2.047 1.00 0.00 C ATOM 877 C ALA A 62 -5.130 8.913 -1.047 1.00 0.00 C ATOM 878 O ALA A 62 -6.330 8.652 -1.112 1.00 0.00 O ATOM 879 CB ALA A 62 -4.494 8.594 -3.498 1.00 0.00 C ATOM 0 H ALA A 62 -4.758 6.327 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.161 8.504 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.293 9.655 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.860 8.007 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.541 8.389 -3.720 1.00 0.00 H new ATOM 885 N PRO A 63 -4.608 9.737 -0.124 1.00 0.00 N ATOM 886 CA PRO A 63 -5.307 10.323 1.020 1.00 0.00 C ATOM 887 C PRO A 63 -6.821 10.570 0.947 1.00 0.00 C ATOM 888 O PRO A 63 -7.504 10.396 1.952 1.00 0.00 O ATOM 889 CB PRO A 63 -4.504 11.572 1.380 1.00 0.00 C ATOM 890 CG PRO A 63 -3.074 11.100 1.103 1.00 0.00 C ATOM 891 CD PRO A 63 -3.223 10.192 -0.122 1.00 0.00 C ATOM 0 HA PRO A 63 -5.330 9.563 1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.780 12.429 0.766 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.646 11.866 2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.407 11.939 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.659 10.560 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.990 10.733 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.536 9.348 -0.067 1.00 0.00 H new ATOM 899 N ASN A 64 -7.362 10.996 -0.195 1.00 0.00 N ATOM 900 CA ASN A 64 -8.798 11.216 -0.338 1.00 0.00 C ATOM 901 C ASN A 64 -9.600 9.906 -0.280 1.00 0.00 C ATOM 902 O ASN A 64 -10.671 9.863 0.317 1.00 0.00 O ATOM 903 CB ASN A 64 -9.058 11.942 -1.662 1.00 0.00 C ATOM 904 CG ASN A 64 -10.545 12.019 -1.984 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.274 12.795 -1.377 1.00 0.00 O ATOM 906 ND2 ASN A 64 -10.982 11.224 -2.956 1.00 0.00 N ATOM 0 H ASN A 64 -6.822 11.196 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.135 11.825 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.645 12.949 -1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.538 11.425 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.965 11.243 -3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.334 10.595 -3.431 1.00 0.00 H new ATOM 913 N LEU A 65 -9.100 8.851 -0.928 1.00 0.00 N ATOM 914 CA LEU A 65 -9.796 7.576 -1.065 1.00 0.00 C ATOM 915 C LEU A 65 -9.788 6.766 0.234 1.00 0.00 C ATOM 916 O LEU A 65 -8.923 6.952 1.087 1.00 0.00 O ATOM 917 CB LEU A 65 -9.199 6.777 -2.230 1.00 0.00 C ATOM 918 CG LEU A 65 -9.568 7.372 -3.600 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.526 8.374 -4.104 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.656 6.239 -4.624 1.00 0.00 C ATOM 0 H LEU A 65 -8.185 8.862 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.842 7.788 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.114 6.749 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.550 5.747 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.518 7.893 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.835 8.763 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.439 9.196 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.561 7.877 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.917 6.650 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.693 5.732 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.420 5.527 -4.314 1.00 0.00 H new ATOM 932 N ALA A 66 -10.746 5.838 0.362 1.00 0.00 N ATOM 933 CA ALA A 66 -10.954 5.036 1.564 1.00 0.00 C ATOM 934 C ALA A 66 -10.581 3.564 1.359 1.00 0.00 C ATOM 935 O ALA A 66 -11.051 2.925 0.420 1.00 0.00 O ATOM 936 CB ALA A 66 -12.424 5.149 1.975 1.00 0.00 C ATOM 0 H ALA A 66 -11.408 5.624 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.300 5.420 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.598 4.555 2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.666 6.192 2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.057 4.780 1.168 1.00 0.00 H new ATOM 942 N CYS A 67 -9.760 3.019 2.263 1.00 0.00 N ATOM 943 CA CYS A 67 -9.369 1.611 2.287 1.00 0.00 C ATOM 944 C CYS A 67 -10.523 0.840 2.929 1.00 0.00 C ATOM 945 O CYS A 67 -10.637 0.855 4.153 1.00 0.00 O ATOM 946 CB CYS A 67 -8.101 1.467 3.142 1.00 0.00 C ATOM 947 SG CYS A 67 -7.376 -0.182 3.161 1.00 0.00 S ATOM 0 H CYS A 67 -9.339 3.562 3.017 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.164 1.230 1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.354 2.172 2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.337 1.755 4.166 1.00 0.00 H new ATOM 952 N VAL A 68 -11.403 0.208 2.144 1.00 0.00 N ATOM 953 CA VAL A 68 -12.605 -0.421 2.692 1.00 0.00 C ATOM 954 C VAL A 68 -12.940 -1.762 2.040 1.00 0.00 C ATOM 955 O VAL A 68 -12.473 -2.085 0.947 1.00 0.00 O ATOM 956 CB VAL A 68 -13.770 0.585 2.638 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.110 0.989 1.200 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.047 0.115 3.348 1.00 0.00 C ATOM 0 H VAL A 68 -11.304 0.120 1.133 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.413 -0.677 3.734 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.400 1.451 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.937 1.699 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.239 1.451 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.397 0.104 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.815 0.883 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.402 -0.807 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.832 -0.066 4.401 1.00 0.00 H new ATOM 968 N GLN A 69 -13.733 -2.554 2.764 1.00 0.00 N ATOM 969 CA GLN A 69 -14.222 -3.853 2.337 1.00 0.00 C ATOM 970 C GLN A 69 -15.083 -3.720 1.082 1.00 0.00 C ATOM 971 O GLN A 69 -16.010 -2.916 1.042 1.00 0.00 O ATOM 972 CB GLN A 69 -15.076 -4.483 3.451 1.00 0.00 C ATOM 973 CG GLN A 69 -14.279 -5.064 4.621 1.00 0.00 C ATOM 974 CD GLN A 69 -13.697 -6.437 4.287 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.378 -7.456 4.374 1.00 0.00 O ATOM 976 NE2 GLN A 69 -12.426 -6.488 3.914 1.00 0.00 N ATOM 0 H GLN A 69 -14.060 -2.294 3.695 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.360 -4.484 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.760 -3.727 3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.687 -5.275 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.471 -4.381 4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.925 -5.146 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.879 -5.630 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.995 -7.386 3.693 1.00 0.00 H new ATOM 985 N THR A 70 -14.778 -4.542 0.080 1.00 0.00 N ATOM 986 CA THR A 70 -15.552 -4.687 -1.144 1.00 0.00 C ATOM 987 C THR A 70 -16.416 -5.940 -1.013 1.00 0.00 C ATOM 988 O THR A 70 -17.565 -5.974 -1.451 1.00 0.00 O ATOM 989 CB THR A 70 -14.618 -4.760 -2.356 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.606 -5.737 -2.191 1.00 0.00 O ATOM 991 CG2 THR A 70 -13.974 -3.393 -2.581 1.00 0.00 C ATOM 0 H THR A 70 -13.956 -5.145 0.102 1.00 0.00 H new ATOM 0 HA THR A 70 -16.199 -3.823 -1.296 1.00 0.00 H new ATOM 0 HB THR A 70 -15.216 -5.047 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.187 -5.629 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.309 -3.442 -3.443 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.751 -2.650 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.402 -3.110 -1.697 1.00 0.00 H new ATOM 999 N SER A 71 -15.857 -6.988 -0.407 1.00 0.00 N ATOM 1000 CA SER A 71 -16.520 -8.238 -0.092 1.00 0.00 C ATOM 1001 C SER A 71 -15.760 -8.814 1.112 1.00 0.00 C ATOM 1002 O SER A 71 -14.684 -8.295 1.427 1.00 0.00 O ATOM 1003 CB SER A 71 -16.510 -9.159 -1.319 1.00 0.00 C ATOM 1004 OG SER A 71 -16.962 -8.478 -2.474 1.00 0.00 O ATOM 0 H SER A 71 -14.881 -6.980 -0.111 1.00 0.00 H new ATOM 0 HA SER A 71 -17.572 -8.114 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.501 -9.535 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.145 -10.025 -1.132 1.00 0.00 H new ATOM 0 HG SER A 71 -16.944 -9.088 -3.241 1.00 0.00 H new ATOM 1010 N PRO A 72 -16.289 -9.844 1.797 1.00 0.00 N ATOM 1011 CA PRO A 72 -15.670 -10.414 2.984 1.00 0.00 C ATOM 1012 C PRO A 72 -14.167 -10.649 2.820 1.00 0.00 C ATOM 1013 O PRO A 72 -13.751 -11.383 1.925 1.00 0.00 O ATOM 1014 CB PRO A 72 -16.440 -11.705 3.269 1.00 0.00 C ATOM 1015 CG PRO A 72 -17.840 -11.360 2.763 1.00 0.00 C ATOM 1016 CD PRO A 72 -17.537 -10.536 1.512 1.00 0.00 C ATOM 0 HA PRO A 72 -15.731 -9.723 3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.015 -12.559 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.440 -11.954 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.421 -12.253 2.532 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.410 -10.791 3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.440 -11.175 0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.340 -9.829 1.304 1.00 0.00 H new ATOM 1024 N LYS A 73 -13.379 -9.994 3.679 1.00 0.00 N ATOM 1025 CA LYS A 73 -11.923 -10.020 3.755 1.00 0.00 C ATOM 1026 C LYS A 73 -11.228 -9.583 2.456 1.00 0.00 C ATOM 1027 O LYS A 73 -10.090 -9.974 2.209 1.00 0.00 O ATOM 1028 CB LYS A 73 -11.391 -11.342 4.346 1.00 0.00 C ATOM 1029 CG LYS A 73 -11.619 -12.602 3.498 1.00 0.00 C ATOM 1030 CD LYS A 73 -10.722 -13.767 3.943 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.897 -14.157 5.417 1.00 0.00 C ATOM 1032 NZ LYS A 73 -12.292 -14.509 5.735 1.00 0.00 N ATOM 0 H LYS A 73 -13.779 -9.385 4.393 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.643 -9.248 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.320 -11.234 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.857 -11.495 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.664 -12.902 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.423 -12.374 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.935 -14.635 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.680 -13.498 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.249 -15.002 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.579 -13.329 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.352 -14.831 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.899 -13.675 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.611 -15.271 5.103 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.876 -8.726 1.657 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.305 -8.164 0.437 1.00 0.00 C ATOM 1048 C LYS A 74 -11.380 -6.642 0.541 1.00 0.00 C ATOM 1049 O LYS A 74 -12.425 -6.049 0.270 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.040 -8.697 -0.799 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.935 -10.224 -0.853 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.623 -10.786 -2.102 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.902 -12.286 -1.941 1.00 0.00 C ATOM 1054 NZ LYS A 74 -13.920 -12.557 -0.905 1.00 0.00 N ATOM 0 H LYS A 74 -12.824 -8.402 1.847 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.263 -8.463 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.087 -8.397 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.612 -8.263 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.886 -10.519 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.390 -10.654 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.558 -10.254 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.993 -10.620 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.238 -12.696 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.976 -12.800 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.261 -13.535 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.499 -12.428 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.717 -11.899 -1.021 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.263 -6.008 0.904 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.178 -4.568 1.095 1.00 0.00 C ATOM 1070 C PHE A 75 -9.597 -3.928 -0.159 1.00 0.00 C ATOM 1071 O PHE A 75 -8.579 -4.389 -0.671 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.239 -4.250 2.267 1.00 0.00 C ATOM 1073 CG PHE A 75 -9.820 -4.464 3.645 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.570 -3.436 4.245 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -9.505 -5.623 4.379 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.059 -3.591 5.553 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.006 -5.783 5.684 1.00 0.00 C ATOM 1078 CZ PHE A 75 -10.792 -4.772 6.266 1.00 0.00 C ATOM 0 H PHE A 75 -9.382 -6.492 1.075 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.176 -4.181 1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.344 -4.865 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.922 -3.211 2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.770 -2.526 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.880 -6.388 3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.640 -2.803 6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.787 -6.683 6.239 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.190 -4.904 7.261 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.232 -2.862 -0.647 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.753 -2.108 -1.793 1.00 0.00 C ATOM 1090 C LYS A 76 -9.914 -0.619 -1.506 1.00 0.00 C ATOM 1091 O LYS A 76 -10.610 -0.219 -0.570 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.485 -2.509 -3.081 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.456 -4.024 -3.314 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.825 -4.362 -4.763 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.969 -5.879 -4.925 1.00 0.00 C ATOM 1096 NZ LYS A 76 -11.303 -6.238 -6.314 1.00 0.00 N ATOM 0 H LYS A 76 -11.099 -2.499 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.699 -2.335 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.520 -2.170 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.026 -2.003 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.463 -4.412 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.152 -4.514 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.758 -3.868 -5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.057 -3.987 -5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.039 -6.368 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.746 -6.247 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.394 -7.271 -6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.202 -5.789 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.549 -5.907 -6.949 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.246 0.198 -2.313 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.277 1.642 -2.197 1.00 0.00 C ATOM 1112 C CYS A 77 -10.460 2.156 -2.998 1.00 0.00 C ATOM 1113 O CYS A 77 -10.397 2.167 -4.226 1.00 0.00 O ATOM 1114 CB CYS A 77 -7.956 2.222 -2.703 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.598 1.970 -1.546 1.00 0.00 S ATOM 0 H CYS A 77 -8.659 -0.136 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.395 1.950 -1.158 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.704 1.762 -3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.079 3.290 -2.886 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.538 2.564 -2.326 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.724 3.079 -2.996 1.00 0.00 C ATOM 1122 C LEU A 78 -12.727 4.605 -2.975 1.00 0.00 C ATOM 1123 O LEU A 78 -12.182 5.240 -2.068 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.009 2.520 -2.376 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.100 0.984 -2.400 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.517 0.571 -1.985 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.802 0.399 -3.787 1.00 0.00 C ATOM 0 H LEU A 78 -11.610 2.545 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.693 2.747 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.080 2.862 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.866 2.933 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.351 0.596 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.597 -0.516 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.724 0.939 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.239 0.996 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.880 -0.688 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.520 0.789 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.794 0.680 -4.091 1.00 0.00 H new ATOM 1139 N SER A 79 -13.327 5.169 -4.024 1.00 0.00 N ATOM 1140 CA SER A 79 -13.439 6.591 -4.278 1.00 0.00 C ATOM 1141 C SER A 79 -14.160 7.339 -3.155 1.00 0.00 C ATOM 1142 O SER A 79 -14.883 6.744 -2.357 1.00 0.00 O ATOM 1143 CB SER A 79 -14.172 6.771 -5.610 1.00 0.00 C ATOM 1144 OG SER A 79 -13.678 5.830 -6.551 1.00 0.00 O ATOM 0 H SER A 79 -13.769 4.609 -4.753 1.00 0.00 H new ATOM 0 HA SER A 79 -12.438 7.021 -4.323 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.244 6.633 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.028 7.785 -5.983 1.00 0.00 H new ATOM 0 HG SER A 79 -14.148 5.943 -7.404 1.00 0.00 H new ATOM 1150 N LYS A 80 -13.973 8.656 -3.138 1.00 0.00 N ATOM 1151 CA LYS A 80 -14.543 9.611 -2.216 1.00 0.00 C ATOM 1152 C LYS A 80 -14.449 10.932 -2.976 1.00 0.00 C ATOM 1153 O LYS A 80 -13.515 11.010 -3.813 1.00 0.00 O ATOM 1154 CB LYS A 80 -13.709 9.612 -0.926 1.00 0.00 C ATOM 1155 CG LYS A 80 -13.984 10.790 0.018 1.00 0.00 C ATOM 1156 CD LYS A 80 -15.447 10.837 0.474 1.00 0.00 C ATOM 1157 CE LYS A 80 -15.655 11.999 1.449 1.00 0.00 C ATOM 1158 NZ LYS A 80 -17.064 12.100 1.867 1.00 0.00 N ATOM 1159 OXT LYS A 80 -15.305 11.810 -2.742 1.00 0.00 O ATOM 0 H LYS A 80 -13.371 9.109 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.568 9.401 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.896 8.683 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.652 9.618 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.335 10.713 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.732 11.723 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.102 10.954 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.717 9.896 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.022 11.859 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.345 12.932 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.174 12.896 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.663 12.257 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.351 11.218 2.338 1.00 0.00 H new TER 1173 LYS A 80