USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=30 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 82 SER OG : rot 180:sc= -0.14 USER MOD Set 1.2: A 83 SER OG : rot -82:sc= 0.138 USER MOD Set 2.1: A 13 SER OG : rot -66:sc= 0.866 USER MOD Set 2.2: A 16 SER OG : rot -39:sc= 0.427 USER MOD Set 2.3: A 17 GLN : amide:sc= 0.416 K(o=1.7,f=0.7) USER MOD Set 3.1: A 1 SER N :NH3+ -179:sc= 0.0671 (180deg=0) USER MOD Set 3.2: A 44 SER OG : rot -54:sc= 1.19 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= -0.0367 (180deg=-0.11) USER MOD Single : A 6 THR OG1 : rot 89:sc= 1.17 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -2.92! C(o=-5.6!,f=-2.9!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0794 USER MOD Single : A 18 ASN : amide:sc= -1.83 X(o=-1.8,f=-2.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -100:sc= -2.34! USER MOD Single : A 43 CYS SG : rot 68:sc= -2.71! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -1.41 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= -0.0447 (180deg=-0.486) USER MOD Single : A 50 MET CE :methyl -125:sc= -15.2! (180deg=-19.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= -0.306 (180deg=-0.414) USER MOD Single : A 68 ASN : amide:sc= -4.49! C(o=-4.5!,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -91:sc= 0.974 USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= -2.43 (180deg=-4.48!) USER MOD Single : A 78 TYR OH : rot -3:sc= -1.68 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -5.06! C(o=-5.1!,f=-10!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.9) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 80:sc= -3.44! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.963 9.255 -3.194 1.00 0.00 N ATOM 2 CA SER A 1 6.846 10.066 -2.642 1.00 0.00 C ATOM 3 C SER A 1 5.543 9.274 -2.627 1.00 0.00 C ATOM 4 O SER A 1 4.875 9.144 -3.652 1.00 0.00 O ATOM 5 CB SER A 1 6.682 11.323 -3.499 1.00 0.00 C ATOM 6 OG SER A 1 7.896 12.050 -3.578 1.00 0.00 O ATOM 0 H1 SER A 1 8.840 9.814 -3.176 1.00 0.00 H new ATOM 0 H2 SER A 1 8.087 8.398 -2.618 1.00 0.00 H new ATOM 0 H3 SER A 1 7.745 8.985 -4.174 1.00 0.00 H new ATOM 0 HA SER A 1 7.081 10.338 -1.613 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.356 11.044 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.902 11.956 -3.075 1.00 0.00 H new ATOM 0 HG SER A 1 7.764 12.847 -4.132 1.00 0.00 H new ATOM 11 N VAL A 2 5.181 8.751 -1.459 1.00 0.00 N ATOM 12 CA VAL A 2 3.952 7.982 -1.322 1.00 0.00 C ATOM 13 C VAL A 2 2.741 8.845 -1.674 1.00 0.00 C ATOM 14 O VAL A 2 2.676 10.018 -1.304 1.00 0.00 O ATOM 15 CB VAL A 2 3.799 7.402 0.101 1.00 0.00 C ATOM 16 CG1 VAL A 2 2.586 6.488 0.170 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.058 6.649 0.507 1.00 0.00 C ATOM 0 H VAL A 2 5.720 8.846 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 2 4.008 7.145 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 2 3.652 8.227 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.490 6.086 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.689 7.054 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.708 5.668 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.933 6.247 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.234 5.831 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.910 7.329 0.492 1.00 0.00 H new ATOM 27 N LYS A 3 1.793 8.265 -2.408 1.00 0.00 N ATOM 28 CA LYS A 3 0.596 8.991 -2.829 1.00 0.00 C ATOM 29 C LYS A 3 -0.579 8.698 -1.924 1.00 0.00 C ATOM 30 O LYS A 3 -0.781 7.571 -1.496 1.00 0.00 O ATOM 31 CB LYS A 3 0.215 8.652 -4.268 1.00 0.00 C ATOM 32 CG LYS A 3 -0.045 9.890 -5.092 1.00 0.00 C ATOM 33 CD LYS A 3 -1.455 9.918 -5.667 1.00 0.00 C ATOM 34 CE LYS A 3 -1.481 9.439 -7.108 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.286 7.966 -7.209 1.00 0.00 N ATOM 0 H LYS A 3 1.830 7.296 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 3 0.838 10.052 -2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.015 8.072 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.675 8.023 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.110 10.774 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.678 9.940 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.108 9.289 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.850 10.932 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.433 9.711 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.700 9.948 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.192 7.696 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.424 7.694 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.106 7.478 -6.795 1.00 0.00 H new ATOM 49 N ILE A 4 -1.353 9.729 -1.644 1.00 0.00 N ATOM 50 CA ILE A 4 -2.525 9.591 -0.792 1.00 0.00 C ATOM 51 C ILE A 4 -3.799 9.807 -1.598 1.00 0.00 C ATOM 52 O ILE A 4 -4.066 10.916 -2.061 1.00 0.00 O ATOM 53 CB ILE A 4 -2.488 10.588 0.384 1.00 0.00 C ATOM 54 CG1 ILE A 4 -3.677 10.356 1.322 1.00 0.00 C ATOM 55 CG2 ILE A 4 -2.479 12.022 -0.130 1.00 0.00 C ATOM 56 CD1 ILE A 4 -3.287 9.744 2.650 1.00 0.00 C ATOM 0 H ILE A 4 -1.193 10.674 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.517 8.579 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.570 10.422 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.178 11.307 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.398 9.704 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.453 12.711 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.599 12.179 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.378 12.203 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.178 9.608 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.812 8.778 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.590 10.405 3.165 1.00 0.00 H new ATOM 68 N VAL A 5 -4.583 8.748 -1.770 1.00 0.00 N ATOM 69 CA VAL A 5 -5.822 8.850 -2.529 1.00 0.00 C ATOM 70 C VAL A 5 -7.023 8.843 -1.582 1.00 0.00 C ATOM 71 O VAL A 5 -7.204 7.910 -0.800 1.00 0.00 O ATOM 72 CB VAL A 5 -5.924 7.712 -3.566 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.572 6.378 -2.936 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.304 7.658 -4.196 1.00 0.00 C ATOM 0 H VAL A 5 -4.385 7.819 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.821 9.794 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.205 7.921 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.651 5.590 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.552 6.414 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.260 6.170 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.341 6.845 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.051 7.487 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.512 8.603 -4.698 1.00 0.00 H new ATOM 84 N THR A 6 -7.816 9.913 -1.632 1.00 0.00 N ATOM 85 CA THR A 6 -8.972 10.056 -0.750 1.00 0.00 C ATOM 86 C THR A 6 -10.279 9.579 -1.380 1.00 0.00 C ATOM 87 O THR A 6 -11.312 9.557 -0.711 1.00 0.00 O ATOM 88 CB THR A 6 -9.150 11.520 -0.307 1.00 0.00 C ATOM 89 OG1 THR A 6 -10.315 11.644 0.517 1.00 0.00 O ATOM 90 CG2 THR A 6 -9.276 12.440 -1.512 1.00 0.00 C ATOM 0 H THR A 6 -7.678 10.693 -2.274 1.00 0.00 H new ATOM 0 HA THR A 6 -8.760 9.419 0.109 1.00 0.00 H new ATOM 0 HB THR A 6 -8.268 11.813 0.263 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.072 11.483 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.401 13.468 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.376 12.366 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.142 12.146 -2.105 1.00 0.00 H new ATOM 98 N SER A 7 -10.252 9.198 -2.652 1.00 0.00 N ATOM 99 CA SER A 7 -11.470 8.733 -3.309 1.00 0.00 C ATOM 100 C SER A 7 -11.487 7.213 -3.413 1.00 0.00 C ATOM 101 O SER A 7 -10.437 6.573 -3.469 1.00 0.00 O ATOM 102 CB SER A 7 -11.593 9.354 -4.702 1.00 0.00 C ATOM 103 OG SER A 7 -10.794 10.519 -4.815 1.00 0.00 O ATOM 0 H SER A 7 -9.419 9.201 -3.240 1.00 0.00 H new ATOM 0 HA SER A 7 -12.321 9.046 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.290 8.627 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.635 9.604 -4.901 1.00 0.00 H new ATOM 0 HG SER A 7 -10.889 10.895 -5.715 1.00 0.00 H new ATOM 109 N GLN A 8 -12.687 6.641 -3.437 1.00 0.00 N ATOM 110 CA GLN A 8 -12.834 5.191 -3.532 1.00 0.00 C ATOM 111 C GLN A 8 -12.484 4.693 -4.936 1.00 0.00 C ATOM 112 O GLN A 8 -11.684 3.771 -5.097 1.00 0.00 O ATOM 113 CB GLN A 8 -14.267 4.785 -3.145 1.00 0.00 C ATOM 114 CG GLN A 8 -14.790 3.534 -3.839 1.00 0.00 C ATOM 115 CD GLN A 8 -14.172 2.261 -3.299 1.00 0.00 C ATOM 116 OE1 GLN A 8 -12.849 2.236 -3.201 1.00 0.00 O flip ATOM 117 NE2 GLN A 8 -14.878 1.306 -2.974 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.567 7.155 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.137 4.724 -2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.306 4.628 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.937 5.615 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.873 3.485 -3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.588 3.606 -4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.892 1.367 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.449 0.454 -2.613 1.00 0.00 H new ATOM 126 N SER A 9 -13.079 5.315 -5.939 1.00 0.00 N ATOM 127 CA SER A 9 -12.828 4.949 -7.325 1.00 0.00 C ATOM 128 C SER A 9 -11.388 5.265 -7.691 1.00 0.00 C ATOM 129 O SER A 9 -10.741 4.511 -8.414 1.00 0.00 O ATOM 130 CB SER A 9 -13.784 5.695 -8.258 1.00 0.00 C ATOM 131 OG SER A 9 -14.209 6.918 -7.681 1.00 0.00 O ATOM 0 H SER A 9 -13.743 6.080 -5.820 1.00 0.00 H new ATOM 0 HA SER A 9 -12.998 3.879 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.290 5.891 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.651 5.069 -8.472 1.00 0.00 H new ATOM 0 HG SER A 9 -14.818 7.376 -8.297 1.00 0.00 H new ATOM 137 N GLU A 10 -10.885 6.379 -7.170 1.00 0.00 N ATOM 138 CA GLU A 10 -9.511 6.782 -7.427 1.00 0.00 C ATOM 139 C GLU A 10 -8.559 5.709 -6.915 1.00 0.00 C ATOM 140 O GLU A 10 -7.543 5.410 -7.543 1.00 0.00 O ATOM 141 CB GLU A 10 -9.213 8.124 -6.757 1.00 0.00 C ATOM 142 CG GLU A 10 -7.877 8.724 -7.162 1.00 0.00 C ATOM 143 CD GLU A 10 -8.028 9.896 -8.113 1.00 0.00 C ATOM 144 OE1 GLU A 10 -8.856 10.787 -7.830 1.00 0.00 O ATOM 145 OE2 GLU A 10 -7.319 9.922 -9.141 1.00 0.00 O ATOM 0 H GLU A 10 -11.408 7.016 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.370 6.899 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.008 8.828 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.229 7.992 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.345 9.052 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.265 7.955 -7.634 1.00 0.00 H new ATOM 152 N PHE A 11 -8.915 5.114 -5.779 1.00 0.00 N ATOM 153 CA PHE A 11 -8.115 4.050 -5.187 1.00 0.00 C ATOM 154 C PHE A 11 -8.107 2.852 -6.116 1.00 0.00 C ATOM 155 O PHE A 11 -7.053 2.327 -6.461 1.00 0.00 O ATOM 156 CB PHE A 11 -8.709 3.663 -3.826 1.00 0.00 C ATOM 157 CG PHE A 11 -8.378 2.273 -3.366 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.072 1.901 -3.098 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.384 1.343 -3.189 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.781 0.622 -2.663 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.102 0.068 -2.753 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.801 -0.294 -2.490 1.00 0.00 C ATOM 0 H PHE A 11 -9.754 5.353 -5.251 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.091 4.393 -5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.356 4.372 -3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.793 3.765 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.274 2.616 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.407 1.620 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.759 0.339 -2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.900 -0.647 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.577 -1.294 -2.148 1.00 0.00 H new ATOM 172 N ASP A 12 -9.298 2.449 -6.528 1.00 0.00 N ATOM 173 CA ASP A 12 -9.459 1.321 -7.443 1.00 0.00 C ATOM 174 C ASP A 12 -8.872 1.647 -8.806 1.00 0.00 C ATOM 175 O ASP A 12 -8.379 0.769 -9.514 1.00 0.00 O ATOM 176 CB ASP A 12 -10.938 0.995 -7.618 1.00 0.00 C ATOM 177 CG ASP A 12 -11.512 0.226 -6.444 1.00 0.00 C ATOM 178 OD1 ASP A 12 -11.963 0.871 -5.475 1.00 0.00 O ATOM 179 OD2 ASP A 12 -11.510 -1.022 -6.494 1.00 0.00 O ATOM 0 H ASP A 12 -10.174 2.886 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.935 0.466 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.497 1.922 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.072 0.412 -8.529 1.00 0.00 H new ATOM 184 N SER A 13 -8.952 2.918 -9.171 1.00 0.00 N ATOM 185 CA SER A 13 -8.456 3.382 -10.454 1.00 0.00 C ATOM 186 C SER A 13 -6.953 3.219 -10.546 1.00 0.00 C ATOM 187 O SER A 13 -6.432 2.732 -11.549 1.00 0.00 O ATOM 188 CB SER A 13 -8.840 4.844 -10.660 1.00 0.00 C ATOM 189 OG SER A 13 -8.654 5.241 -12.006 1.00 0.00 O ATOM 0 H SER A 13 -9.360 3.650 -8.590 1.00 0.00 H new ATOM 0 HA SER A 13 -8.911 2.777 -11.238 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.882 4.992 -10.376 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.239 5.476 -10.006 1.00 0.00 H new ATOM 0 HG SER A 13 -7.699 5.220 -12.224 1.00 0.00 H new ATOM 195 N ILE A 14 -6.257 3.613 -9.491 1.00 0.00 N ATOM 196 CA ILE A 14 -4.808 3.487 -9.465 1.00 0.00 C ATOM 197 C ILE A 14 -4.408 2.029 -9.641 1.00 0.00 C ATOM 198 O ILE A 14 -3.404 1.711 -10.279 1.00 0.00 O ATOM 199 CB ILE A 14 -4.244 4.015 -8.133 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.470 5.523 -8.025 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.763 3.686 -7.995 1.00 0.00 C ATOM 202 CD1 ILE A 14 -5.018 5.953 -6.684 1.00 0.00 C ATOM 0 H ILE A 14 -6.667 4.019 -8.650 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.397 4.078 -10.283 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.774 3.520 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.527 6.038 -8.206 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.160 5.837 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.392 4.071 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.626 2.605 -8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.210 4.146 -8.814 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.154 7.034 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.977 5.465 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.319 5.670 -5.897 1.00 0.00 H new ATOM 214 N ILE A 15 -5.206 1.158 -9.050 1.00 0.00 N ATOM 215 CA ILE A 15 -4.963 -0.282 -9.103 1.00 0.00 C ATOM 216 C ILE A 15 -5.022 -0.815 -10.544 1.00 0.00 C ATOM 217 O ILE A 15 -4.247 -1.691 -10.927 1.00 0.00 O ATOM 218 CB ILE A 15 -5.993 -1.046 -8.235 1.00 0.00 C ATOM 219 CG1 ILE A 15 -6.205 -0.327 -6.916 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.523 -2.463 -7.940 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.951 -0.269 -6.087 1.00 0.00 C ATOM 0 H ILE A 15 -6.038 1.421 -8.521 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.960 -0.450 -8.710 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.926 -1.086 -8.797 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.556 0.686 -7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.988 -0.833 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.267 -2.973 -7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.389 -3.004 -8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.575 -2.428 -7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.156 0.255 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.613 -1.282 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.175 0.261 -6.638 1.00 0.00 H new ATOM 233 N SER A 16 -5.980 -0.301 -11.317 1.00 0.00 N ATOM 234 CA SER A 16 -6.209 -0.732 -12.707 1.00 0.00 C ATOM 235 C SER A 16 -5.351 -0.011 -13.763 1.00 0.00 C ATOM 236 O SER A 16 -5.152 -0.533 -14.860 1.00 0.00 O ATOM 237 CB SER A 16 -7.685 -0.521 -13.052 1.00 0.00 C ATOM 238 OG SER A 16 -7.947 0.840 -13.348 1.00 0.00 O ATOM 0 H SER A 16 -6.622 0.426 -11.002 1.00 0.00 H new ATOM 0 HA SER A 16 -5.915 -1.781 -12.745 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.955 -1.141 -13.907 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.307 -0.842 -12.216 1.00 0.00 H new ATOM 0 HG SER A 16 -7.435 1.412 -12.738 1.00 0.00 H new ATOM 244 N GLN A 17 -4.904 1.200 -13.463 1.00 0.00 N ATOM 245 CA GLN A 17 -4.135 2.009 -14.430 1.00 0.00 C ATOM 246 C GLN A 17 -2.640 1.702 -14.439 1.00 0.00 C ATOM 247 O GLN A 17 -1.852 2.470 -14.990 1.00 0.00 O ATOM 248 CB GLN A 17 -4.335 3.499 -14.154 1.00 0.00 C ATOM 249 CG GLN A 17 -5.410 4.130 -15.012 1.00 0.00 C ATOM 250 CD GLN A 17 -6.684 4.413 -14.247 1.00 0.00 C ATOM 251 OE1 GLN A 17 -6.747 5.349 -13.450 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.709 3.602 -14.489 1.00 0.00 N ATOM 0 H GLN A 17 -5.054 1.654 -12.562 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.524 1.741 -15.413 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.592 3.635 -13.104 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.393 4.022 -14.322 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.031 5.061 -15.434 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.634 3.469 -15.849 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.609 2.839 -15.159 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.596 3.742 -14.005 1.00 0.00 H new ATOM 261 N ASN A 18 -2.247 0.609 -13.821 1.00 0.00 N ATOM 262 CA ASN A 18 -0.839 0.247 -13.758 1.00 0.00 C ATOM 263 C ASN A 18 -0.655 -1.266 -13.673 1.00 0.00 C ATOM 264 O ASN A 18 -1.532 -1.982 -13.189 1.00 0.00 O ATOM 265 CB ASN A 18 -0.196 0.934 -12.552 1.00 0.00 C ATOM 266 CG ASN A 18 -0.520 2.414 -12.486 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.272 3.254 -12.912 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.690 2.740 -11.950 1.00 0.00 N ATOM 0 H ASN A 18 -2.876 -0.045 -13.355 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.351 0.582 -14.673 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.537 0.449 -11.637 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.885 0.804 -12.597 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.963 3.720 -11.879 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.316 2.010 -11.609 1.00 0.00 H new ATOM 275 N GLU A 19 0.494 -1.745 -14.144 1.00 0.00 N ATOM 276 CA GLU A 19 0.797 -3.173 -14.120 1.00 0.00 C ATOM 277 C GLU A 19 0.981 -3.655 -12.697 1.00 0.00 C ATOM 278 O GLU A 19 0.424 -4.682 -12.313 1.00 0.00 O ATOM 279 CB GLU A 19 2.049 -3.474 -14.945 1.00 0.00 C ATOM 280 CG GLU A 19 2.106 -4.901 -15.465 1.00 0.00 C ATOM 281 CD GLU A 19 2.523 -4.976 -16.921 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.736 -4.859 -17.198 1.00 0.00 O ATOM 283 OE2 GLU A 19 1.638 -5.151 -17.784 1.00 0.00 O ATOM 0 H GLU A 19 1.230 -1.165 -14.547 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.045 -3.705 -14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.091 -2.786 -15.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.931 -3.283 -14.334 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.807 -5.476 -14.860 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.127 -5.366 -15.347 1.00 0.00 H new ATOM 290 N LEU A 20 1.741 -2.913 -11.902 1.00 0.00 N ATOM 291 CA LEU A 20 1.946 -3.293 -10.527 1.00 0.00 C ATOM 292 C LEU A 20 1.620 -2.119 -9.635 1.00 0.00 C ATOM 293 O LEU A 20 2.101 -1.008 -9.860 1.00 0.00 O ATOM 294 CB LEU A 20 3.389 -3.740 -10.317 1.00 0.00 C ATOM 295 CG LEU A 20 3.580 -4.921 -9.368 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.534 -6.000 -9.611 1.00 0.00 C ATOM 297 CD2 LEU A 20 4.975 -5.499 -9.529 1.00 0.00 C ATOM 0 H LEU A 20 2.216 -2.057 -12.188 1.00 0.00 H new ATOM 0 HA LEU A 20 1.291 -4.127 -10.275 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.814 -4.002 -11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.961 -2.894 -9.936 1.00 0.00 H new ATOM 0 HG LEU A 20 3.458 -4.558 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.697 -6.827 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.539 -5.585 -9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.616 -6.362 -10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.101 -6.341 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.112 -5.839 -10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.715 -4.732 -9.299 1.00 0.00 H new ATOM 309 N VAL A 21 0.797 -2.354 -8.628 1.00 0.00 N ATOM 310 CA VAL A 21 0.424 -1.279 -7.731 1.00 0.00 C ATOM 311 C VAL A 21 0.465 -1.720 -6.286 1.00 0.00 C ATOM 312 O VAL A 21 -0.265 -2.623 -5.882 1.00 0.00 O ATOM 313 CB VAL A 21 -0.985 -0.727 -8.050 1.00 0.00 C ATOM 314 CG1 VAL A 21 -1.296 0.483 -7.185 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.098 -0.376 -9.522 1.00 0.00 C ATOM 0 H VAL A 21 0.382 -3.261 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 21 1.157 -0.487 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.716 -1.503 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.292 0.856 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.259 0.198 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.560 1.265 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.096 0.011 -9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.356 0.382 -9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.923 -1.268 -10.123 1.00 0.00 H new ATOM 325 N ILE A 22 1.289 -1.053 -5.493 1.00 0.00 N ATOM 326 CA ILE A 22 1.369 -1.372 -4.084 1.00 0.00 C ATOM 327 C ILE A 22 0.834 -0.208 -3.291 1.00 0.00 C ATOM 328 O ILE A 22 1.250 0.937 -3.468 1.00 0.00 O ATOM 329 CB ILE A 22 2.793 -1.724 -3.632 1.00 0.00 C ATOM 330 CG1 ILE A 22 2.804 -2.153 -2.158 1.00 0.00 C ATOM 331 CG2 ILE A 22 3.748 -0.568 -3.884 1.00 0.00 C ATOM 332 CD1 ILE A 22 2.715 -1.009 -1.171 1.00 0.00 C ATOM 0 H ILE A 22 1.903 -0.298 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 22 0.766 -2.262 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 22 3.141 -2.569 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.969 -2.832 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.718 -2.714 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.749 -0.845 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.767 -0.338 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.413 0.308 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.729 -1.403 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.564 -0.340 -1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.788 -0.459 -1.334 1.00 0.00 H new ATOM 344 N VAL A 23 -0.114 -0.515 -2.437 1.00 0.00 N ATOM 345 CA VAL A 23 -0.758 0.490 -1.623 1.00 0.00 C ATOM 346 C VAL A 23 -0.776 0.056 -0.183 1.00 0.00 C ATOM 347 O VAL A 23 -0.956 -1.122 0.124 1.00 0.00 O ATOM 348 CB VAL A 23 -2.198 0.766 -2.097 1.00 0.00 C ATOM 349 CG1 VAL A 23 -3.055 -0.484 -1.987 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.811 1.917 -1.311 1.00 0.00 C ATOM 0 H VAL A 23 -0.459 -1.463 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.185 1.412 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.160 1.054 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.067 -0.263 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.628 -1.273 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.086 -0.814 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.828 2.096 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.831 1.664 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.213 2.817 -1.458 1.00 0.00 H new ATOM 360 N ASP A 24 -0.582 1.010 0.696 1.00 0.00 N ATOM 361 CA ASP A 24 -0.570 0.716 2.106 1.00 0.00 C ATOM 362 C ASP A 24 -1.858 1.178 2.763 1.00 0.00 C ATOM 363 O ASP A 24 -2.092 2.374 2.937 1.00 0.00 O ATOM 364 CB ASP A 24 0.661 1.344 2.785 1.00 0.00 C ATOM 365 CG ASP A 24 0.346 1.994 4.119 1.00 0.00 C ATOM 366 OD1 ASP A 24 -0.334 1.349 4.943 1.00 0.00 O ATOM 367 OD2 ASP A 24 0.779 3.145 4.338 1.00 0.00 O ATOM 0 H ASP A 24 -0.431 1.991 0.460 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.502 -0.365 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.417 0.573 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.093 2.090 2.118 1.00 0.00 H new ATOM 372 N PHE A 25 -2.654 0.212 3.185 1.00 0.00 N ATOM 373 CA PHE A 25 -3.877 0.502 3.894 1.00 0.00 C ATOM 374 C PHE A 25 -3.421 0.680 5.329 1.00 0.00 C ATOM 375 O PHE A 25 -2.854 -0.241 5.917 1.00 0.00 O ATOM 376 CB PHE A 25 -4.873 -0.657 3.718 1.00 0.00 C ATOM 377 CG PHE A 25 -5.114 -1.021 2.263 1.00 0.00 C ATOM 378 CD1 PHE A 25 -4.178 -1.758 1.546 1.00 0.00 C ATOM 379 CD2 PHE A 25 -6.270 -0.616 1.611 1.00 0.00 C ATOM 380 CE1 PHE A 25 -4.392 -2.082 0.212 1.00 0.00 C ATOM 381 CE2 PHE A 25 -6.487 -0.934 0.277 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.546 -1.669 -0.427 1.00 0.00 C ATOM 0 H PHE A 25 -2.470 -0.782 3.046 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.405 1.385 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.499 -1.533 4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.822 -0.386 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.271 -2.084 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.012 -0.045 2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.655 -2.658 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.392 -0.608 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.713 -1.917 -1.465 1.00 0.00 H new ATOM 392 N PHE A 26 -3.545 1.899 5.850 1.00 0.00 N ATOM 393 CA PHE A 26 -3.004 2.196 7.165 1.00 0.00 C ATOM 394 C PHE A 26 -4.052 3.047 8.052 1.00 0.00 C ATOM 395 O PHE A 26 -5.113 3.360 7.510 1.00 0.00 O ATOM 396 CB PHE A 26 -1.705 3.015 7.035 1.00 0.00 C ATOM 397 CG PHE A 26 -1.935 4.402 6.476 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.496 4.574 5.215 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.609 5.534 7.214 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.727 5.838 4.704 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.837 6.798 6.702 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.398 6.950 5.450 1.00 0.00 C ATOM 0 H PHE A 26 -4.008 2.682 5.388 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.805 1.244 7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.234 3.097 8.015 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.008 2.480 6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.755 3.707 4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.174 5.425 8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.164 5.954 3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.575 7.669 7.284 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.579 7.939 5.055 1.00 0.00 H new ATOM 412 N ALA A 27 -3.801 3.495 9.384 1.00 0.00 N ATOM 413 CA ALA A 27 -4.771 4.296 10.111 1.00 0.00 C ATOM 414 C ALA A 27 -3.961 5.319 10.983 1.00 0.00 C ATOM 415 O ALA A 27 -2.932 4.974 11.562 1.00 0.00 O ATOM 416 CB ALA A 27 -5.734 3.341 10.888 1.00 0.00 C ATOM 0 H ALA A 27 -2.948 3.290 9.904 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.428 4.886 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.467 3.932 11.438 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.249 2.690 10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.159 2.734 11.587 1.00 0.00 H new ATOM 422 N GLU A 28 -4.389 6.587 10.954 1.00 0.00 N ATOM 423 CA GLU A 28 -3.709 7.787 11.625 1.00 0.00 C ATOM 424 C GLU A 28 -3.333 7.819 13.254 1.00 0.00 C ATOM 425 O GLU A 28 -2.838 8.870 13.656 1.00 0.00 O ATOM 426 CB GLU A 28 -4.722 8.922 11.504 1.00 0.00 C ATOM 427 CG GLU A 28 -4.074 10.272 11.681 1.00 0.00 C ATOM 428 CD GLU A 28 -4.910 11.228 12.511 1.00 0.00 C ATOM 429 OE1 GLU A 28 -6.079 10.898 12.801 1.00 0.00 O ATOM 430 OE2 GLU A 28 -4.394 12.308 12.869 1.00 0.00 O ATOM 0 H GLU A 28 -5.240 6.853 10.458 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.742 7.808 11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.205 8.876 10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.504 8.793 12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.102 10.142 12.156 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.894 10.713 10.701 1.00 0.00 H new ATOM 437 N TRP A 29 -3.618 6.818 14.243 1.00 0.00 N ATOM 438 CA TRP A 29 -3.363 7.018 15.740 1.00 0.00 C ATOM 439 C TRP A 29 -2.245 5.976 16.204 1.00 0.00 C ATOM 440 O TRP A 29 -1.991 5.923 17.409 1.00 0.00 O ATOM 441 CB TRP A 29 -4.861 6.825 16.427 1.00 0.00 C ATOM 442 CG TRP A 29 -5.849 5.657 15.939 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.086 5.626 15.099 1.00 0.00 C ATOM 444 CD2 TRP A 29 -5.754 4.295 16.424 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.483 4.318 14.941 1.00 0.00 N ATOM 446 CE2 TRP A 29 -6.719 3.505 15.734 1.00 0.00 C ATOM 447 CE3 TRP A 29 -4.889 3.641 17.328 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -6.822 2.128 15.917 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.019 2.276 17.513 1.00 0.00 C ATOM 450 CH2 TRP A 29 -5.965 1.533 16.799 1.00 0.00 C ATOM 0 H TRP A 29 -4.010 5.905 14.014 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.964 7.989 16.035 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.706 6.686 17.497 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.394 7.768 16.301 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.586 6.489 14.684 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.233 4.002 14.326 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.137 4.198 17.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.557 1.548 15.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.378 1.774 18.222 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.019 0.465 16.948 1.00 0.00 H new ATOM 461 N CYS A 30 -1.576 5.075 15.304 1.00 0.00 N ATOM 462 CA CYS A 30 -0.614 4.115 15.833 1.00 0.00 C ATOM 463 C CYS A 30 0.841 4.513 15.585 1.00 0.00 C ATOM 464 O CYS A 30 1.153 5.274 14.671 1.00 0.00 O ATOM 465 CB CYS A 30 -0.883 2.734 15.204 1.00 0.00 C ATOM 466 SG CYS A 30 -1.267 2.741 13.408 1.00 0.00 S ATOM 0 H CYS A 30 -1.717 5.044 14.294 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.750 4.089 16.914 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.009 2.104 15.368 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.715 2.269 15.733 1.00 0.00 H new ATOM 471 N GLY A 31 1.731 3.962 16.409 1.00 0.00 N ATOM 472 CA GLY A 31 3.151 4.222 16.263 1.00 0.00 C ATOM 473 C GLY A 31 3.744 3.589 15.006 1.00 0.00 C ATOM 474 O GLY A 31 4.452 4.257 14.254 1.00 0.00 O ATOM 0 H GLY A 31 1.490 3.337 17.178 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.317 5.299 16.235 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.677 3.841 17.138 1.00 0.00 H new ATOM 478 N PRO A 32 3.473 2.286 14.754 1.00 0.00 N ATOM 479 CA PRO A 32 4.000 1.564 13.578 1.00 0.00 C ATOM 480 C PRO A 32 3.588 2.176 12.251 1.00 0.00 C ATOM 481 O PRO A 32 4.423 2.343 11.362 1.00 0.00 O ATOM 482 CB PRO A 32 3.392 0.167 13.699 1.00 0.00 C ATOM 483 CG PRO A 32 2.236 0.336 14.627 1.00 0.00 C ATOM 484 CD PRO A 32 2.653 1.400 15.595 1.00 0.00 C ATOM 0 HA PRO A 32 5.090 1.588 13.577 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.069 -0.210 12.729 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.115 -0.547 14.093 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.337 0.629 14.085 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.007 -0.596 15.143 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.795 1.922 16.020 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.222 0.990 16.429 1.00 0.00 H new ATOM 492 N CYS A 33 2.302 2.495 12.097 1.00 0.00 N ATOM 493 CA CYS A 33 1.838 3.064 10.835 1.00 0.00 C ATOM 494 C CYS A 33 2.744 4.222 10.405 1.00 0.00 C ATOM 495 O CYS A 33 3.275 4.227 9.295 1.00 0.00 O ATOM 496 CB CYS A 33 0.381 3.534 10.952 1.00 0.00 C ATOM 497 SG CYS A 33 -0.089 4.189 12.591 1.00 0.00 S ATOM 0 H CYS A 33 1.582 2.373 12.809 1.00 0.00 H new ATOM 0 HA CYS A 33 1.884 2.287 10.072 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.203 4.307 10.204 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.275 2.698 10.710 1.00 0.00 H new ATOM 502 N LYS A 34 2.941 5.182 11.299 1.00 0.00 N ATOM 503 CA LYS A 34 3.816 6.322 11.028 1.00 0.00 C ATOM 504 C LYS A 34 5.285 5.895 10.931 1.00 0.00 C ATOM 505 O LYS A 34 6.069 6.476 10.181 1.00 0.00 O ATOM 506 CB LYS A 34 3.655 7.383 12.118 1.00 0.00 C ATOM 507 CG LYS A 34 4.261 8.729 11.751 1.00 0.00 C ATOM 508 CD LYS A 34 3.281 9.867 11.987 1.00 0.00 C ATOM 509 CE LYS A 34 3.996 11.205 12.091 1.00 0.00 C ATOM 510 NZ LYS A 34 3.042 12.347 12.085 1.00 0.00 N ATOM 0 H LYS A 34 2.507 5.196 12.222 1.00 0.00 H new ATOM 0 HA LYS A 34 3.522 6.742 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.594 7.517 12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.120 7.023 13.036 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.162 8.896 12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.563 8.719 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.559 9.902 11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.719 9.681 12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.587 11.231 13.007 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.693 11.310 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.569 13.240 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.496 12.338 11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.393 12.262 12.893 1.00 0.00 H new ATOM 524 N ARG A 35 5.645 4.899 11.737 1.00 0.00 N ATOM 525 CA ARG A 35 7.019 4.389 11.819 1.00 0.00 C ATOM 526 C ARG A 35 7.452 3.622 10.574 1.00 0.00 C ATOM 527 O ARG A 35 8.643 3.540 10.275 1.00 0.00 O ATOM 528 CB ARG A 35 7.168 3.489 13.046 1.00 0.00 C ATOM 529 CG ARG A 35 8.596 3.031 13.294 1.00 0.00 C ATOM 530 CD ARG A 35 8.933 3.025 14.777 1.00 0.00 C ATOM 531 NE ARG A 35 10.303 2.581 15.025 1.00 0.00 N ATOM 532 CZ ARG A 35 10.967 2.818 16.154 1.00 0.00 C ATOM 533 NH1 ARG A 35 10.391 3.492 17.141 1.00 0.00 N ATOM 534 NH2 ARG A 35 12.210 2.380 16.296 1.00 0.00 N ATOM 0 H ARG A 35 4.992 4.418 12.356 1.00 0.00 H new ATOM 0 HA ARG A 35 7.669 5.260 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.809 4.025 13.925 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.530 2.613 12.924 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.734 2.030 12.885 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.286 3.689 12.766 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.797 4.027 15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.239 2.371 15.304 1.00 0.00 H new ATOM 0 HE ARG A 35 10.779 2.059 14.289 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.435 3.831 17.037 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.904 3.671 18.004 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.657 1.861 15.540 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.719 2.562 17.161 1.00 0.00 H new ATOM 548 N ILE A 36 6.497 3.042 9.867 1.00 0.00 N ATOM 549 CA ILE A 36 6.799 2.270 8.677 1.00 0.00 C ATOM 550 C ILE A 36 6.942 3.175 7.453 1.00 0.00 C ATOM 551 O ILE A 36 7.495 2.767 6.434 1.00 0.00 O ATOM 552 CB ILE A 36 5.720 1.197 8.411 1.00 0.00 C ATOM 553 CG1 ILE A 36 6.118 0.301 7.234 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.365 1.833 8.155 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.559 -0.158 7.268 1.00 0.00 C ATOM 0 H ILE A 36 5.505 3.092 10.098 1.00 0.00 H new ATOM 0 HA ILE A 36 7.750 1.768 8.855 1.00 0.00 H new ATOM 0 HB ILE A 36 5.643 0.579 9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.469 -0.575 7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.942 0.841 6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.626 1.053 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.067 2.417 9.026 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.428 2.486 7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.761 -0.787 6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.218 0.710 7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.738 -0.728 8.180 1.00 0.00 H new ATOM 567 N ALA A 37 6.437 4.406 7.564 1.00 0.00 N ATOM 568 CA ALA A 37 6.497 5.375 6.470 1.00 0.00 C ATOM 569 C ALA A 37 7.937 5.707 6.057 1.00 0.00 C ATOM 570 O ALA A 37 8.250 5.741 4.867 1.00 0.00 O ATOM 571 CB ALA A 37 5.759 6.647 6.861 1.00 0.00 C ATOM 0 H ALA A 37 5.980 4.756 8.406 1.00 0.00 H new ATOM 0 HA ALA A 37 6.013 4.918 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.809 7.363 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.716 6.412 7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.223 7.079 7.748 1.00 0.00 H new ATOM 577 N PRO A 38 8.831 5.977 7.029 1.00 0.00 N ATOM 578 CA PRO A 38 10.228 6.326 6.740 1.00 0.00 C ATOM 579 C PRO A 38 10.900 5.312 5.820 1.00 0.00 C ATOM 580 O PRO A 38 11.552 5.687 4.846 1.00 0.00 O ATOM 581 CB PRO A 38 10.890 6.310 8.119 1.00 0.00 C ATOM 582 CG PRO A 38 9.784 6.593 9.075 1.00 0.00 C ATOM 583 CD PRO A 38 8.545 5.990 8.472 1.00 0.00 C ATOM 0 HA PRO A 38 10.309 7.282 6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.353 5.345 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.676 7.062 8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.993 6.158 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.662 7.666 9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.362 4.985 8.853 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.659 6.583 8.699 1.00 0.00 H new ATOM 591 N PHE A 39 10.719 4.029 6.113 1.00 0.00 N ATOM 592 CA PHE A 39 11.294 2.981 5.279 1.00 0.00 C ATOM 593 C PHE A 39 10.480 2.841 4.007 1.00 0.00 C ATOM 594 O PHE A 39 11.012 2.574 2.931 1.00 0.00 O ATOM 595 CB PHE A 39 11.326 1.652 6.018 1.00 0.00 C ATOM 596 CG PHE A 39 11.948 0.551 5.209 1.00 0.00 C ATOM 597 CD1 PHE A 39 13.323 0.480 5.053 1.00 0.00 C ATOM 598 CD2 PHE A 39 11.157 -0.403 4.592 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.896 -0.526 4.298 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.724 -1.407 3.835 1.00 0.00 C ATOM 601 CZ PHE A 39 13.093 -1.470 3.688 1.00 0.00 C ATOM 0 H PHE A 39 10.184 3.692 6.914 1.00 0.00 H new ATOM 0 HA PHE A 39 12.319 3.259 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.882 1.772 6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.309 1.368 6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.953 1.218 5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.084 -0.361 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.969 -0.574 4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.095 -2.144 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.537 -2.257 3.096 1.00 0.00 H new ATOM 611 N TYR A 40 9.181 3.051 4.151 1.00 0.00 N ATOM 612 CA TYR A 40 8.258 2.981 3.032 1.00 0.00 C ATOM 613 C TYR A 40 8.648 4.028 1.995 1.00 0.00 C ATOM 614 O TYR A 40 8.536 3.803 0.790 1.00 0.00 O ATOM 615 CB TYR A 40 6.839 3.252 3.541 1.00 0.00 C ATOM 616 CG TYR A 40 5.728 2.661 2.706 1.00 0.00 C ATOM 617 CD1 TYR A 40 5.878 1.447 2.046 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.512 3.322 2.597 1.00 0.00 C ATOM 619 CE1 TYR A 40 4.844 0.912 1.300 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.477 2.796 1.854 1.00 0.00 C ATOM 621 CZ TYR A 40 3.646 1.592 1.208 1.00 0.00 C ATOM 622 OH TYR A 40 2.612 1.067 0.470 1.00 0.00 O ATOM 0 H TYR A 40 8.739 3.274 5.043 1.00 0.00 H new ATOM 0 HA TYR A 40 8.296 1.993 2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.755 2.863 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.692 4.330 3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.815 0.914 2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.374 4.266 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.973 -0.032 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.539 3.325 1.779 1.00 0.00 H new ATOM 0 HH TYR A 40 2.579 1.506 -0.405 1.00 0.00 H new ATOM 632 N GLU A 41 9.118 5.171 2.486 1.00 0.00 N ATOM 633 CA GLU A 41 9.544 6.267 1.618 1.00 0.00 C ATOM 634 C GLU A 41 10.807 5.895 0.834 1.00 0.00 C ATOM 635 O GLU A 41 10.903 6.159 -0.363 1.00 0.00 O ATOM 636 CB GLU A 41 9.756 7.547 2.446 1.00 0.00 C ATOM 637 CG GLU A 41 11.203 8.008 2.553 1.00 0.00 C ATOM 638 CD GLU A 41 11.339 9.324 3.295 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.895 10.359 2.755 1.00 0.00 O ATOM 640 OE2 GLU A 41 11.888 9.319 4.417 1.00 0.00 O ATOM 0 H GLU A 41 9.214 5.364 3.483 1.00 0.00 H new ATOM 0 HA GLU A 41 8.756 6.456 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.166 8.350 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.367 7.381 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.788 7.244 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.622 8.113 1.552 1.00 0.00 H new ATOM 647 N GLU A 42 11.773 5.286 1.517 1.00 0.00 N ATOM 648 CA GLU A 42 13.023 4.886 0.875 1.00 0.00 C ATOM 649 C GLU A 42 12.749 3.878 -0.238 1.00 0.00 C ATOM 650 O GLU A 42 13.319 3.957 -1.326 1.00 0.00 O ATOM 651 CB GLU A 42 13.978 4.278 1.904 1.00 0.00 C ATOM 652 CG GLU A 42 14.475 5.275 2.938 1.00 0.00 C ATOM 653 CD GLU A 42 15.510 4.680 3.872 1.00 0.00 C ATOM 654 OE1 GLU A 42 16.533 4.165 3.373 1.00 0.00 O ATOM 655 OE2 GLU A 42 15.298 4.728 5.102 1.00 0.00 O ATOM 0 H GLU A 42 11.715 5.059 2.510 1.00 0.00 H new ATOM 0 HA GLU A 42 13.487 5.772 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.473 3.458 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.835 3.850 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.904 6.138 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.630 5.638 3.523 1.00 0.00 H new ATOM 662 N CYS A 43 11.861 2.937 0.054 1.00 0.00 N ATOM 663 CA CYS A 43 11.470 1.900 -0.885 1.00 0.00 C ATOM 664 C CYS A 43 10.821 2.502 -2.134 1.00 0.00 C ATOM 665 O CYS A 43 10.979 1.988 -3.240 1.00 0.00 O ATOM 666 CB CYS A 43 10.502 0.958 -0.158 1.00 0.00 C ATOM 667 SG CYS A 43 11.219 0.173 1.299 1.00 0.00 S ATOM 0 H CYS A 43 11.390 2.873 0.956 1.00 0.00 H new ATOM 0 HA CYS A 43 12.347 1.350 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.617 1.519 0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.171 0.185 -0.851 1.00 0.00 H new ATOM 0 HG CYS A 43 11.430 1.070 2.216 1.00 0.00 H new ATOM 673 N SER A 44 10.090 3.591 -1.946 1.00 0.00 N ATOM 674 CA SER A 44 9.404 4.266 -3.046 1.00 0.00 C ATOM 675 C SER A 44 10.376 4.956 -4.015 1.00 0.00 C ATOM 676 O SER A 44 10.023 5.231 -5.161 1.00 0.00 O ATOM 677 CB SER A 44 8.432 5.300 -2.476 1.00 0.00 C ATOM 678 OG SER A 44 9.116 6.464 -2.048 1.00 0.00 O ATOM 0 H SER A 44 9.954 4.031 -1.036 1.00 0.00 H new ATOM 0 HA SER A 44 8.869 3.505 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.695 5.566 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.886 4.867 -1.638 1.00 0.00 H new ATOM 0 HG SER A 44 9.826 6.214 -1.421 1.00 0.00 H new ATOM 684 N LYS A 45 11.575 5.270 -3.538 1.00 0.00 N ATOM 685 CA LYS A 45 12.573 5.970 -4.344 1.00 0.00 C ATOM 686 C LYS A 45 13.377 5.050 -5.277 1.00 0.00 C ATOM 687 O LYS A 45 13.782 5.468 -6.362 1.00 0.00 O ATOM 688 CB LYS A 45 13.523 6.709 -3.404 1.00 0.00 C ATOM 689 CG LYS A 45 13.339 8.215 -3.415 1.00 0.00 C ATOM 690 CD LYS A 45 14.654 8.939 -3.182 1.00 0.00 C ATOM 691 CE LYS A 45 15.200 8.665 -1.789 1.00 0.00 C ATOM 692 NZ LYS A 45 14.877 9.766 -0.838 1.00 0.00 N ATOM 0 H LYS A 45 11.883 5.050 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 45 12.036 6.660 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.375 6.341 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.551 6.475 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.917 8.524 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.624 8.501 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.382 8.622 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.509 10.011 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.786 7.729 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.281 8.537 -1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.267 9.540 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.294 10.655 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.845 9.872 -0.767 1.00 0.00 H new ATOM 706 N THR A 46 13.630 3.817 -4.850 1.00 0.00 N ATOM 707 CA THR A 46 14.413 2.868 -5.644 1.00 0.00 C ATOM 708 C THR A 46 13.507 1.906 -6.413 1.00 0.00 C ATOM 709 O THR A 46 13.850 1.419 -7.490 1.00 0.00 O ATOM 710 CB THR A 46 15.359 2.067 -4.717 1.00 0.00 C ATOM 711 OG1 THR A 46 16.610 2.753 -4.587 1.00 0.00 O ATOM 712 CG2 THR A 46 15.608 0.655 -5.234 1.00 0.00 C ATOM 0 H THR A 46 13.305 3.448 -3.957 1.00 0.00 H new ATOM 0 HA THR A 46 14.999 3.434 -6.368 1.00 0.00 H new ATOM 0 HB THR A 46 14.871 1.987 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.204 2.242 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.277 0.130 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.661 0.119 -5.298 1.00 0.00 H new ATOM 0 HG23 THR A 46 16.064 0.705 -6.223 1.00 0.00 H new ATOM 720 N TYR A 47 12.364 1.636 -5.820 1.00 0.00 N ATOM 721 CA TYR A 47 11.363 0.730 -6.363 1.00 0.00 C ATOM 722 C TYR A 47 10.389 1.437 -7.314 1.00 0.00 C ATOM 723 O TYR A 47 9.275 0.958 -7.526 1.00 0.00 O ATOM 724 CB TYR A 47 10.599 0.027 -5.248 1.00 0.00 C ATOM 725 CG TYR A 47 11.494 -0.585 -4.195 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.742 -1.102 -4.514 1.00 0.00 C ATOM 727 CD2 TYR A 47 11.087 -0.630 -2.878 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.557 -1.650 -3.540 1.00 0.00 C ATOM 729 CE2 TYR A 47 11.893 -1.170 -1.892 1.00 0.00 C ATOM 730 CZ TYR A 47 13.127 -1.680 -2.230 1.00 0.00 C ATOM 731 OH TYR A 47 13.935 -2.217 -1.256 1.00 0.00 O ATOM 0 H TYR A 47 12.095 2.047 -4.926 1.00 0.00 H new ATOM 0 HA TYR A 47 11.902 -0.017 -6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.928 0.742 -4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.976 -0.755 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.082 -1.076 -5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.118 -0.235 -2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.524 -2.052 -3.804 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.557 -1.192 -0.866 1.00 0.00 H new ATOM 0 HH TYR A 47 13.604 -1.951 -0.373 1.00 0.00 H new ATOM 741 N THR A 48 10.755 2.626 -7.787 1.00 0.00 N ATOM 742 CA THR A 48 9.853 3.451 -8.596 1.00 0.00 C ATOM 743 C THR A 48 9.258 2.749 -9.828 1.00 0.00 C ATOM 744 O THR A 48 8.459 3.355 -10.542 1.00 0.00 O ATOM 745 CB THR A 48 10.577 4.721 -9.080 1.00 0.00 C ATOM 746 OG1 THR A 48 11.715 4.365 -9.874 1.00 0.00 O ATOM 747 CG2 THR A 48 11.023 5.572 -7.900 1.00 0.00 C ATOM 0 H THR A 48 11.672 3.043 -7.625 1.00 0.00 H new ATOM 0 HA THR A 48 9.024 3.682 -7.927 1.00 0.00 H new ATOM 0 HB THR A 48 9.880 5.301 -9.685 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.168 5.178 -10.179 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.532 6.464 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.152 5.866 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.705 4.997 -7.274 1.00 0.00 H new ATOM 755 N LYS A 49 9.562 1.470 -10.048 1.00 0.00 N ATOM 756 CA LYS A 49 8.948 0.742 -11.156 1.00 0.00 C ATOM 757 C LYS A 49 7.519 0.336 -10.750 1.00 0.00 C ATOM 758 O LYS A 49 6.642 0.138 -11.590 1.00 0.00 O ATOM 759 CB LYS A 49 9.770 -0.494 -11.528 1.00 0.00 C ATOM 760 CG LYS A 49 11.261 -0.362 -11.240 1.00 0.00 C ATOM 761 CD LYS A 49 11.709 -1.322 -10.151 1.00 0.00 C ATOM 762 CE LYS A 49 13.220 -1.496 -10.150 1.00 0.00 C ATOM 763 NZ LYS A 49 13.874 -0.672 -9.097 1.00 0.00 N ATOM 0 H LYS A 49 10.217 0.926 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 49 8.915 1.388 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.381 -1.353 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.633 -0.702 -12.589 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.826 -0.556 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.484 0.661 -10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.384 -0.950 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.230 -2.290 -10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.464 -2.547 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.618 -1.219 -11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.778 -0.304 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.253 0.123 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.048 -1.258 -8.256 1.00 0.00 H new ATOM 777 N MET A 50 7.315 0.260 -9.432 1.00 0.00 N ATOM 778 CA MET A 50 6.034 -0.067 -8.805 1.00 0.00 C ATOM 779 C MET A 50 5.432 1.220 -8.304 1.00 0.00 C ATOM 780 O MET A 50 6.147 2.163 -7.964 1.00 0.00 O ATOM 781 CB MET A 50 6.290 -1.036 -7.644 1.00 0.00 C ATOM 782 CG MET A 50 5.107 -1.283 -6.728 1.00 0.00 C ATOM 783 SD MET A 50 5.292 -2.767 -5.732 1.00 0.00 S ATOM 784 CE MET A 50 5.333 -4.003 -7.016 1.00 0.00 C ATOM 0 H MET A 50 8.058 0.429 -8.754 1.00 0.00 H new ATOM 0 HA MET A 50 5.350 -0.542 -9.508 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.614 -1.992 -8.056 1.00 0.00 H new ATOM 0 HB3 MET A 50 7.116 -0.650 -7.046 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.978 -0.424 -6.070 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.200 -1.365 -7.328 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.563 -4.751 -6.826 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.150 -3.531 -7.981 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.311 -4.484 -7.027 1.00 0.00 H new ATOM 794 N VAL A 51 4.126 1.277 -8.301 1.00 0.00 N ATOM 795 CA VAL A 51 3.439 2.479 -7.888 1.00 0.00 C ATOM 796 C VAL A 51 3.069 2.445 -6.406 1.00 0.00 C ATOM 797 O VAL A 51 2.480 1.479 -5.921 1.00 0.00 O ATOM 798 CB VAL A 51 2.201 2.694 -8.778 1.00 0.00 C ATOM 799 CG1 VAL A 51 0.918 2.692 -7.978 1.00 0.00 C ATOM 800 CG2 VAL A 51 2.357 3.973 -9.561 1.00 0.00 C ATOM 0 H VAL A 51 3.515 0.509 -8.579 1.00 0.00 H new ATOM 0 HA VAL A 51 4.115 3.325 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 51 2.131 1.857 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.072 2.847 -8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.808 1.734 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.948 3.493 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.480 4.124 -10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.457 4.812 -8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.247 3.910 -10.188 1.00 0.00 H new ATOM 810 N PHE A 52 3.447 3.504 -5.685 1.00 0.00 N ATOM 811 CA PHE A 52 3.177 3.584 -4.254 1.00 0.00 C ATOM 812 C PHE A 52 2.078 4.574 -3.919 1.00 0.00 C ATOM 813 O PHE A 52 2.215 5.778 -4.136 1.00 0.00 O ATOM 814 CB PHE A 52 4.430 3.996 -3.476 1.00 0.00 C ATOM 815 CG PHE A 52 5.465 2.924 -3.360 1.00 0.00 C ATOM 816 CD1 PHE A 52 5.993 2.363 -4.495 1.00 0.00 C ATOM 817 CD2 PHE A 52 5.917 2.491 -2.125 1.00 0.00 C ATOM 818 CE1 PHE A 52 6.958 1.383 -4.422 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.887 1.511 -2.038 1.00 0.00 C ATOM 820 CZ PHE A 52 7.408 0.956 -3.191 1.00 0.00 C ATOM 0 H PHE A 52 3.938 4.311 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 52 2.855 2.584 -3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.876 4.864 -3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.135 4.309 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.646 2.695 -5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.508 2.922 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.361 0.951 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.237 1.180 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.166 0.189 -3.128 1.00 0.00 H new ATOM 830 N ILE A 53 1.008 4.056 -3.350 1.00 0.00 N ATOM 831 CA ILE A 53 -0.112 4.890 -2.929 1.00 0.00 C ATOM 832 C ILE A 53 -0.481 4.581 -1.478 1.00 0.00 C ATOM 833 O ILE A 53 -0.070 3.559 -0.928 1.00 0.00 O ATOM 834 CB ILE A 53 -1.347 4.693 -3.827 1.00 0.00 C ATOM 835 CG1 ILE A 53 -1.462 3.227 -4.246 1.00 0.00 C ATOM 836 CG2 ILE A 53 -1.278 5.614 -5.040 1.00 0.00 C ATOM 837 CD1 ILE A 53 -0.486 2.812 -5.327 1.00 0.00 C ATOM 0 H ILE A 53 0.885 3.060 -3.166 1.00 0.00 H new ATOM 0 HA ILE A 53 0.205 5.929 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.242 4.956 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.306 2.597 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.477 3.040 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.159 5.461 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.244 6.652 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.381 5.389 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.634 1.759 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.655 3.414 -6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.534 2.964 -4.974 1.00 0.00 H new ATOM 849 N LYS A 54 -1.254 5.467 -0.868 1.00 0.00 N ATOM 850 CA LYS A 54 -1.685 5.306 0.513 1.00 0.00 C ATOM 851 C LYS A 54 -3.185 5.518 0.592 1.00 0.00 C ATOM 852 O LYS A 54 -3.706 6.539 0.143 1.00 0.00 O ATOM 853 CB LYS A 54 -0.963 6.314 1.433 1.00 0.00 C ATOM 854 CG LYS A 54 0.188 5.739 2.255 1.00 0.00 C ATOM 855 CD LYS A 54 1.058 6.846 2.830 1.00 0.00 C ATOM 856 CE LYS A 54 0.308 7.665 3.868 1.00 0.00 C ATOM 857 NZ LYS A 54 1.131 8.792 4.387 1.00 0.00 N ATOM 0 H LYS A 54 -1.600 6.316 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.434 4.300 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.578 7.129 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.695 6.746 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.210 5.127 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.794 5.084 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.949 6.411 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.396 7.499 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.608 8.058 3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.013 7.020 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.584 9.326 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.994 8.417 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.391 9.422 3.602 1.00 0.00 H new ATOM 871 N VAL A 55 -3.874 4.548 1.159 1.00 0.00 N ATOM 872 CA VAL A 55 -5.314 4.619 1.293 1.00 0.00 C ATOM 873 C VAL A 55 -5.713 4.268 2.716 1.00 0.00 C ATOM 874 O VAL A 55 -5.475 3.158 3.188 1.00 0.00 O ATOM 875 CB VAL A 55 -5.994 3.668 0.283 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.507 3.606 0.472 1.00 0.00 C ATOM 877 CG2 VAL A 55 -5.647 4.074 -1.139 1.00 0.00 C ATOM 0 H VAL A 55 -3.456 3.697 1.536 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.645 5.635 1.077 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.610 2.666 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.938 2.925 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.734 3.249 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.932 4.601 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.133 3.395 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.992 5.092 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.567 4.027 -1.278 1.00 0.00 H new ATOM 887 N ASP A 56 -6.302 5.234 3.397 1.00 0.00 N ATOM 888 CA ASP A 56 -6.716 5.056 4.777 1.00 0.00 C ATOM 889 C ASP A 56 -8.092 4.413 4.856 1.00 0.00 C ATOM 890 O ASP A 56 -8.846 4.410 3.883 1.00 0.00 O ATOM 891 CB ASP A 56 -6.709 6.413 5.487 1.00 0.00 C ATOM 892 CG ASP A 56 -5.357 7.089 5.448 1.00 0.00 C ATOM 893 OD1 ASP A 56 -4.871 7.381 4.335 1.00 0.00 O ATOM 894 OD2 ASP A 56 -4.791 7.338 6.533 1.00 0.00 O ATOM 0 H ASP A 56 -6.506 6.157 3.013 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.014 4.387 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.449 7.065 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.012 6.276 6.525 1.00 0.00 H new ATOM 899 N VAL A 57 -8.413 3.866 6.022 1.00 0.00 N ATOM 900 CA VAL A 57 -9.696 3.220 6.229 1.00 0.00 C ATOM 901 C VAL A 57 -10.768 4.264 6.511 1.00 0.00 C ATOM 902 O VAL A 57 -11.938 4.085 6.174 1.00 0.00 O ATOM 903 CB VAL A 57 -9.642 2.219 7.405 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.514 1.218 7.210 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.484 2.948 8.732 1.00 0.00 C ATOM 0 H VAL A 57 -7.800 3.859 6.837 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.940 2.673 5.318 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.586 1.674 7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.495 0.523 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.675 0.665 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.563 1.748 7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.449 2.222 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.560 3.526 8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.330 3.619 8.882 1.00 0.00 H new ATOM 915 N ASP A 58 -10.346 5.353 7.144 1.00 0.00 N ATOM 916 CA ASP A 58 -11.246 6.439 7.494 1.00 0.00 C ATOM 917 C ASP A 58 -11.607 7.274 6.270 1.00 0.00 C ATOM 918 O ASP A 58 -12.678 7.879 6.213 1.00 0.00 O ATOM 919 CB ASP A 58 -10.610 7.330 8.563 1.00 0.00 C ATOM 920 CG ASP A 58 -9.195 7.745 8.205 1.00 0.00 C ATOM 921 OD1 ASP A 58 -8.997 8.280 7.094 1.00 0.00 O ATOM 922 OD2 ASP A 58 -8.286 7.535 9.036 1.00 0.00 O ATOM 0 H ASP A 58 -9.378 5.505 7.426 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.162 6.000 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.223 8.221 8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.600 6.799 9.515 1.00 0.00 H new ATOM 927 N GLU A 59 -10.704 7.309 5.295 1.00 0.00 N ATOM 928 CA GLU A 59 -10.926 8.078 4.077 1.00 0.00 C ATOM 929 C GLU A 59 -11.988 7.422 3.202 1.00 0.00 C ATOM 930 O GLU A 59 -12.761 8.107 2.533 1.00 0.00 O ATOM 931 CB GLU A 59 -9.619 8.224 3.296 1.00 0.00 C ATOM 932 CG GLU A 59 -8.719 9.330 3.822 1.00 0.00 C ATOM 933 CD GLU A 59 -8.161 10.205 2.716 1.00 0.00 C ATOM 934 OE1 GLU A 59 -7.110 9.844 2.146 1.00 0.00 O ATOM 935 OE2 GLU A 59 -8.775 11.252 2.421 1.00 0.00 O ATOM 0 H GLU A 59 -9.813 6.814 5.325 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.282 9.068 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.077 7.279 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.850 8.422 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.281 9.949 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.894 8.887 4.381 1.00 0.00 H new ATOM 942 N VAL A 60 -12.024 6.093 3.210 1.00 0.00 N ATOM 943 CA VAL A 60 -12.999 5.357 2.414 1.00 0.00 C ATOM 944 C VAL A 60 -13.176 3.933 2.931 1.00 0.00 C ATOM 945 O VAL A 60 -12.417 3.032 2.575 1.00 0.00 O ATOM 946 CB VAL A 60 -12.600 5.306 0.925 1.00 0.00 C ATOM 947 CG1 VAL A 60 -13.125 6.530 0.189 1.00 0.00 C ATOM 948 CG2 VAL A 60 -11.089 5.192 0.771 1.00 0.00 C ATOM 0 H VAL A 60 -11.393 5.507 3.756 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.943 5.894 2.508 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.052 4.419 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.834 6.476 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.212 6.560 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.706 7.431 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.833 5.158 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.610 6.056 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.741 4.281 1.258 1.00 0.00 H new ATOM 958 N SER A 61 -14.190 3.738 3.771 1.00 0.00 N ATOM 959 CA SER A 61 -14.476 2.425 4.337 1.00 0.00 C ATOM 960 C SER A 61 -14.723 1.401 3.233 1.00 0.00 C ATOM 961 O SER A 61 -14.403 0.222 3.381 1.00 0.00 O ATOM 962 CB SER A 61 -15.693 2.500 5.263 1.00 0.00 C ATOM 963 OG SER A 61 -15.421 1.893 6.514 1.00 0.00 O ATOM 0 H SER A 61 -14.827 4.475 4.074 1.00 0.00 H new ATOM 0 HA SER A 61 -13.608 2.107 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.975 3.542 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.543 2.005 4.793 1.00 0.00 H new ATOM 0 HG SER A 61 -16.213 1.956 7.087 1.00 0.00 H new ATOM 969 N GLU A 62 -15.293 1.865 2.125 1.00 0.00 N ATOM 970 CA GLU A 62 -15.586 0.996 0.990 1.00 0.00 C ATOM 971 C GLU A 62 -14.323 0.292 0.501 1.00 0.00 C ATOM 972 O GLU A 62 -14.385 -0.817 -0.031 1.00 0.00 O ATOM 973 CB GLU A 62 -16.205 1.806 -0.150 1.00 0.00 C ATOM 974 CG GLU A 62 -17.695 2.056 0.020 1.00 0.00 C ATOM 975 CD GLU A 62 -18.537 1.247 -0.946 1.00 0.00 C ATOM 976 OE1 GLU A 62 -18.064 0.183 -1.398 1.00 0.00 O ATOM 977 OE2 GLU A 62 -19.669 1.677 -1.250 1.00 0.00 O ATOM 0 H GLU A 62 -15.562 2.840 1.989 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.297 0.238 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.691 2.764 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.038 1.280 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.986 1.812 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.900 3.117 -0.125 1.00 0.00 H new ATOM 984 N VAL A 63 -13.179 0.939 0.692 1.00 0.00 N ATOM 985 CA VAL A 63 -11.902 0.372 0.277 1.00 0.00 C ATOM 986 C VAL A 63 -11.544 -0.814 1.162 1.00 0.00 C ATOM 987 O VAL A 63 -10.966 -1.801 0.706 1.00 0.00 O ATOM 988 CB VAL A 63 -10.772 1.424 0.342 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.415 0.784 0.082 1.00 0.00 C ATOM 990 CG2 VAL A 63 -11.032 2.560 -0.642 1.00 0.00 C ATOM 0 H VAL A 63 -13.110 1.857 1.132 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.005 0.041 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.760 1.842 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.637 1.546 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.223 0.019 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.411 0.328 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.224 3.288 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.081 2.160 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.977 3.045 -0.397 1.00 0.00 H new ATOM 1000 N THR A 64 -11.900 -0.704 2.431 1.00 0.00 N ATOM 1001 CA THR A 64 -11.635 -1.752 3.399 1.00 0.00 C ATOM 1002 C THR A 64 -12.461 -3.004 3.096 1.00 0.00 C ATOM 1003 O THR A 64 -11.966 -4.127 3.197 1.00 0.00 O ATOM 1004 CB THR A 64 -11.951 -1.255 4.825 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.132 -0.122 5.135 1.00 0.00 O ATOM 1006 CG2 THR A 64 -11.719 -2.344 5.865 1.00 0.00 C ATOM 0 H THR A 64 -12.378 0.110 2.817 1.00 0.00 H new ATOM 0 HA THR A 64 -10.578 -2.010 3.332 1.00 0.00 H new ATOM 0 HB THR A 64 -13.004 -0.976 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.337 0.192 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.952 -1.956 6.856 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.362 -3.197 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.676 -2.660 5.835 1.00 0.00 H new ATOM 1014 N GLU A 65 -13.726 -2.797 2.740 1.00 0.00 N ATOM 1015 CA GLU A 65 -14.639 -3.899 2.438 1.00 0.00 C ATOM 1016 C GLU A 65 -14.296 -4.599 1.122 1.00 0.00 C ATOM 1017 O GLU A 65 -14.239 -5.828 1.061 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.080 -3.388 2.388 1.00 0.00 C ATOM 1019 CG GLU A 65 -17.110 -4.487 2.182 1.00 0.00 C ATOM 1020 CD GLU A 65 -18.502 -3.942 1.931 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -18.870 -2.935 2.572 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -19.225 -4.522 1.093 1.00 0.00 O ATOM 0 H GLU A 65 -14.145 -1.871 2.653 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.530 -4.632 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.303 -2.863 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.171 -2.661 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.809 -5.108 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -17.129 -5.131 3.061 1.00 0.00 H new ATOM 1029 N LYS A 66 -14.099 -3.816 0.067 1.00 0.00 N ATOM 1030 CA LYS A 66 -13.796 -4.365 -1.255 1.00 0.00 C ATOM 1031 C LYS A 66 -12.541 -5.234 -1.242 1.00 0.00 C ATOM 1032 O LYS A 66 -12.437 -6.195 -2.004 1.00 0.00 O ATOM 1033 CB LYS A 66 -13.631 -3.234 -2.269 1.00 0.00 C ATOM 1034 CG LYS A 66 -12.454 -2.320 -1.978 1.00 0.00 C ATOM 1035 CD LYS A 66 -11.172 -2.837 -2.612 1.00 0.00 C ATOM 1036 CE LYS A 66 -11.003 -2.315 -4.026 1.00 0.00 C ATOM 1037 NZ LYS A 66 -11.748 -3.141 -5.018 1.00 0.00 N ATOM 0 H LYS A 66 -14.143 -2.797 0.099 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.635 -4.999 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.508 -3.664 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.545 -2.640 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.668 -1.319 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.318 -2.233 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.318 -2.535 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.184 -3.927 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.353 -1.284 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.944 -2.305 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.538 -2.802 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.457 -4.136 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.769 -3.062 -4.838 1.00 0.00 H new ATOM 1051 N GLU A 67 -11.595 -4.900 -0.374 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.358 -5.661 -0.269 1.00 0.00 C ATOM 1053 C GLU A 67 -10.428 -6.614 0.911 1.00 0.00 C ATOM 1054 O GLU A 67 -9.458 -7.298 1.233 1.00 0.00 O ATOM 1055 CB GLU A 67 -9.162 -4.722 -0.119 1.00 0.00 C ATOM 1056 CG GLU A 67 -8.425 -4.481 -1.422 1.00 0.00 C ATOM 1057 CD GLU A 67 -7.814 -5.748 -1.988 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -6.918 -6.320 -1.331 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -8.231 -6.169 -3.087 1.00 0.00 O ATOM 0 H GLU A 67 -11.661 -4.109 0.266 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.230 -6.241 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.506 -3.767 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.469 -5.140 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.114 -4.057 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.639 -3.744 -1.260 1.00 0.00 H new ATOM 1066 N ASN A 68 -11.592 -6.649 1.548 1.00 0.00 N ATOM 1067 CA ASN A 68 -11.818 -7.513 2.688 1.00 0.00 C ATOM 1068 C ASN A 68 -10.734 -7.323 3.746 1.00 0.00 C ATOM 1069 O ASN A 68 -10.299 -8.272 4.396 1.00 0.00 O ATOM 1070 CB ASN A 68 -11.918 -8.966 2.221 1.00 0.00 C ATOM 1071 CG ASN A 68 -10.575 -9.667 2.083 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -10.027 -10.186 3.055 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -10.047 -9.700 0.865 1.00 0.00 N ATOM 0 H ASN A 68 -12.398 -6.081 1.287 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.763 -7.243 3.159 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.535 -9.522 2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.431 -8.993 1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.154 -10.168 0.709 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.534 -9.257 0.086 1.00 0.00 H new ATOM 1080 N ILE A 69 -10.319 -6.076 3.915 1.00 0.00 N ATOM 1081 CA ILE A 69 -9.299 -5.726 4.894 1.00 0.00 C ATOM 1082 C ILE A 69 -9.755 -6.120 6.297 1.00 0.00 C ATOM 1083 O ILE A 69 -10.754 -5.605 6.798 1.00 0.00 O ATOM 1084 CB ILE A 69 -8.998 -4.213 4.855 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.452 -3.785 3.483 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -8.028 -3.833 5.957 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -6.980 -4.075 3.294 1.00 0.00 C ATOM 0 H ILE A 69 -10.676 -5.283 3.382 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.389 -6.272 4.643 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.936 -3.683 5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.016 -4.295 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.622 -2.716 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.828 -2.762 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.462 -4.081 6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.095 -4.382 5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.668 -3.745 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.404 -3.543 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.805 -5.146 3.391 1.00 0.00 H new ATOM 1099 N THR A 70 -9.037 -7.055 6.919 1.00 0.00 N ATOM 1100 CA THR A 70 -9.403 -7.525 8.246 1.00 0.00 C ATOM 1101 C THR A 70 -8.420 -7.084 9.333 1.00 0.00 C ATOM 1102 O THR A 70 -8.830 -6.776 10.452 1.00 0.00 O ATOM 1103 CB THR A 70 -9.510 -9.058 8.267 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.204 -9.642 8.328 1.00 0.00 O ATOM 1105 CG2 THR A 70 -10.244 -9.572 7.036 1.00 0.00 C ATOM 0 H THR A 70 -8.206 -7.496 6.525 1.00 0.00 H new ATOM 0 HA THR A 70 -10.370 -7.072 8.467 1.00 0.00 H new ATOM 0 HB THR A 70 -10.077 -9.344 9.152 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.283 -10.619 8.343 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.305 -10.660 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.250 -9.152 7.010 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.703 -9.272 6.138 1.00 0.00 H new ATOM 1113 N SER A 71 -7.126 -7.079 9.020 1.00 0.00 N ATOM 1114 CA SER A 71 -6.115 -6.700 10.011 1.00 0.00 C ATOM 1115 C SER A 71 -5.202 -5.578 9.519 1.00 0.00 C ATOM 1116 O SER A 71 -4.745 -5.587 8.377 1.00 0.00 O ATOM 1117 CB SER A 71 -5.272 -7.918 10.391 1.00 0.00 C ATOM 1118 OG SER A 71 -5.954 -8.741 11.321 1.00 0.00 O ATOM 0 H SER A 71 -6.754 -7.329 8.103 1.00 0.00 H new ATOM 0 HA SER A 71 -6.650 -6.326 10.884 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.036 -8.494 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.325 -7.589 10.818 1.00 0.00 H new ATOM 0 HG SER A 71 -5.394 -9.513 11.546 1.00 0.00 H new ATOM 1124 N MET A 72 -4.933 -4.620 10.407 1.00 0.00 N ATOM 1125 CA MET A 72 -4.065 -3.485 10.096 1.00 0.00 C ATOM 1126 C MET A 72 -2.824 -3.492 10.988 1.00 0.00 C ATOM 1127 O MET A 72 -2.875 -3.964 12.123 1.00 0.00 O ATOM 1128 CB MET A 72 -4.839 -2.163 10.279 1.00 0.00 C ATOM 1129 CG MET A 72 -4.341 -1.273 11.415 1.00 0.00 C ATOM 1130 SD MET A 72 -4.721 -1.945 13.044 1.00 0.00 S ATOM 1131 CE MET A 72 -5.949 -0.774 13.617 1.00 0.00 C ATOM 0 H MET A 72 -5.308 -4.609 11.356 1.00 0.00 H new ATOM 0 HA MET A 72 -3.744 -3.571 9.058 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.789 -1.599 9.348 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.889 -2.396 10.455 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.263 -1.143 11.323 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.791 -0.285 11.320 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.283 -1.056 14.616 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.513 0.224 13.649 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.800 -0.777 12.936 1.00 0.00 H new ATOM 1141 N PRO A 73 -1.701 -2.926 10.510 1.00 0.00 N ATOM 1142 CA PRO A 73 -1.577 -2.345 9.162 1.00 0.00 C ATOM 1143 C PRO A 73 -1.496 -3.419 8.074 1.00 0.00 C ATOM 1144 O PRO A 73 -1.024 -4.527 8.326 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.261 -1.572 9.248 1.00 0.00 C ATOM 1146 CG PRO A 73 0.545 -2.364 10.211 1.00 0.00 C ATOM 1147 CD PRO A 73 -0.428 -2.850 11.249 1.00 0.00 C ATOM 0 HA PRO A 73 -2.437 -1.733 8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.228 -1.503 8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.417 -0.552 9.599 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.039 -3.200 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.327 -1.754 10.662 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.137 -3.821 11.650 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.493 -2.163 12.093 1.00 0.00 H new ATOM 1155 N THR A 74 -1.939 -3.088 6.863 1.00 0.00 N ATOM 1156 CA THR A 74 -1.886 -4.035 5.750 1.00 0.00 C ATOM 1157 C THR A 74 -1.275 -3.416 4.485 1.00 0.00 C ATOM 1158 O THR A 74 -1.656 -2.323 4.065 1.00 0.00 O ATOM 1159 CB THR A 74 -3.286 -4.578 5.408 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.213 -4.226 6.439 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.251 -6.091 5.242 1.00 0.00 C ATOM 0 H THR A 74 -2.336 -2.178 6.628 1.00 0.00 H new ATOM 0 HA THR A 74 -1.246 -4.852 6.083 1.00 0.00 H new ATOM 0 HB THR A 74 -3.607 -4.132 4.467 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.237 -4.936 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.250 -6.454 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.565 -6.353 4.436 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.912 -6.551 6.170 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.351 -4.156 3.867 1.00 0.00 N ATOM 1170 CA PHE A 75 0.304 -3.735 2.621 1.00 0.00 C ATOM 1171 C PHE A 75 -0.042 -4.727 1.523 1.00 0.00 C ATOM 1172 O PHE A 75 0.315 -5.902 1.606 1.00 0.00 O ATOM 1173 CB PHE A 75 1.835 -3.671 2.781 1.00 0.00 C ATOM 1174 CG PHE A 75 2.343 -2.559 3.671 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.484 -1.600 4.184 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.693 -2.482 3.999 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.957 -0.592 5.005 1.00 0.00 C ATOM 1178 CE2 PHE A 75 4.168 -1.472 4.819 1.00 0.00 C ATOM 1179 CZ PHE A 75 3.298 -0.530 5.322 1.00 0.00 C ATOM 0 H PHE A 75 -0.035 -5.062 4.213 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.052 -2.737 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.183 -4.623 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.283 -3.558 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.433 -1.640 3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.379 -3.219 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.275 0.148 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.219 -1.423 5.064 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.666 0.257 5.964 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.745 -4.263 0.498 1.00 0.00 N ATOM 1190 CA LYS A 76 -1.135 -5.139 -0.598 1.00 0.00 C ATOM 1191 C LYS A 76 -0.544 -4.682 -1.913 1.00 0.00 C ATOM 1192 O LYS A 76 -0.518 -3.492 -2.225 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.659 -5.215 -0.734 1.00 0.00 C ATOM 1194 CG LYS A 76 -3.250 -6.483 -0.167 1.00 0.00 C ATOM 1195 CD LYS A 76 -2.974 -6.569 1.316 1.00 0.00 C ATOM 1196 CE LYS A 76 -4.013 -5.795 2.119 1.00 0.00 C ATOM 1197 NZ LYS A 76 -5.037 -6.699 2.712 1.00 0.00 N ATOM 0 H LYS A 76 -1.054 -3.296 0.403 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.745 -6.129 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.104 -4.358 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.926 -5.138 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.325 -6.504 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.826 -7.349 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.974 -7.613 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.980 -6.174 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.517 -5.237 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.502 -5.065 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.451 -6.250 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.785 -6.882 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.591 -7.598 2.984 1.00 0.00 H new ATOM 1211 N VAL A 77 -0.112 -5.650 -2.697 1.00 0.00 N ATOM 1212 CA VAL A 77 0.436 -5.374 -4.008 1.00 0.00 C ATOM 1213 C VAL A 77 -0.540 -5.884 -5.047 1.00 0.00 C ATOM 1214 O VAL A 77 -1.113 -6.963 -4.898 1.00 0.00 O ATOM 1215 CB VAL A 77 1.828 -6.004 -4.205 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.336 -5.772 -5.624 1.00 0.00 C ATOM 1217 CG2 VAL A 77 2.802 -5.422 -3.194 1.00 0.00 C ATOM 0 H VAL A 77 -0.131 -6.639 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 77 0.574 -4.298 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 77 1.748 -7.080 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.320 -6.226 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.645 -6.222 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.407 -4.701 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.785 -5.870 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.871 -4.343 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.449 -5.635 -2.185 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.774 -5.086 -6.069 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.730 -5.450 -7.093 1.00 0.00 C ATOM 1229 C TYR A 78 -1.083 -5.548 -8.469 1.00 0.00 C ATOM 1230 O TYR A 78 -0.356 -4.652 -8.894 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.861 -4.427 -7.101 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.612 -4.346 -5.789 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -3.173 -3.506 -4.773 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -4.754 -5.106 -5.562 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -3.849 -3.427 -3.570 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -5.435 -5.030 -4.362 1.00 0.00 C ATOM 1237 CZ TYR A 78 -4.978 -4.189 -3.370 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.651 -4.111 -2.173 1.00 0.00 O ATOM 0 H TYR A 78 -0.317 -4.185 -6.212 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.126 -6.439 -6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.450 -3.445 -7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.562 -4.679 -7.897 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.289 -2.905 -4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.115 -5.767 -6.336 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.493 -2.770 -2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.321 -5.627 -4.202 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.170 -3.511 -1.566 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.363 -6.648 -9.157 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.828 -6.887 -10.486 1.00 0.00 C ATOM 1250 C LYS A 79 -1.962 -7.001 -11.489 1.00 0.00 C ATOM 1251 O LYS A 79 -2.911 -7.762 -11.296 1.00 0.00 O ATOM 1252 CB LYS A 79 0.013 -8.160 -10.487 1.00 0.00 C ATOM 1253 CG LYS A 79 0.590 -8.500 -11.846 1.00 0.00 C ATOM 1254 CD LYS A 79 2.094 -8.710 -11.777 1.00 0.00 C ATOM 1255 CE LYS A 79 2.768 -8.387 -13.101 1.00 0.00 C ATOM 1256 NZ LYS A 79 3.707 -9.462 -13.524 1.00 0.00 N ATOM 0 H LYS A 79 -1.965 -7.395 -8.809 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.193 -6.048 -10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.828 -8.048 -9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.601 -8.992 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.113 -9.402 -12.229 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.366 -7.697 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.514 -8.081 -10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.305 -9.744 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.008 -8.246 -13.870 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.310 -7.446 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.145 -9.203 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.447 -9.580 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.185 -10.355 -13.634 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.858 -6.224 -12.549 1.00 0.00 N ATOM 1271 CA ASN A 80 -2.871 -6.203 -13.592 1.00 0.00 C ATOM 1272 C ASN A 80 -4.236 -5.821 -13.021 1.00 0.00 C ATOM 1273 O ASN A 80 -5.270 -6.298 -13.489 1.00 0.00 O ATOM 1274 CB ASN A 80 -2.956 -7.568 -14.279 1.00 0.00 C ATOM 1275 CG ASN A 80 -1.996 -7.689 -15.448 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -2.252 -7.163 -16.531 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -0.883 -8.384 -15.237 1.00 0.00 N ATOM 0 H ASN A 80 -1.075 -5.592 -12.714 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.582 -5.452 -14.327 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.740 -8.351 -13.552 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.975 -7.732 -14.631 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.202 -8.497 -15.988 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.709 -8.804 -14.324 1.00 0.00 H new ATOM 1284 N GLY A 81 -4.232 -4.934 -12.027 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.473 -4.476 -11.433 1.00 0.00 C ATOM 1286 C GLY A 81 -6.119 -5.476 -10.495 1.00 0.00 C ATOM 1287 O GLY A 81 -7.345 -5.517 -10.390 1.00 0.00 O ATOM 0 H GLY A 81 -3.389 -4.525 -11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.282 -3.553 -10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.177 -4.235 -12.230 1.00 0.00 H new ATOM 1291 N SER A 82 -5.317 -6.274 -9.794 1.00 0.00 N ATOM 1292 CA SER A 82 -5.876 -7.243 -8.861 1.00 0.00 C ATOM 1293 C SER A 82 -4.880 -7.591 -7.769 1.00 0.00 C ATOM 1294 O SER A 82 -3.735 -7.152 -7.805 1.00 0.00 O ATOM 1295 CB SER A 82 -6.322 -8.507 -9.596 1.00 0.00 C ATOM 1296 OG SER A 82 -7.055 -9.365 -8.739 1.00 0.00 O ATOM 0 H SER A 82 -4.299 -6.269 -9.853 1.00 0.00 H new ATOM 0 HA SER A 82 -6.748 -6.787 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.936 -8.234 -10.454 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.449 -9.033 -9.983 1.00 0.00 H new ATOM 0 HG SER A 82 -7.330 -10.165 -9.234 1.00 0.00 H new ATOM 1302 N SER A 83 -5.326 -8.373 -6.790 1.00 0.00 N ATOM 1303 CA SER A 83 -4.464 -8.756 -5.682 1.00 0.00 C ATOM 1304 C SER A 83 -3.382 -9.720 -6.148 1.00 0.00 C ATOM 1305 O SER A 83 -3.647 -10.635 -6.927 1.00 0.00 O ATOM 1306 CB SER A 83 -5.289 -9.389 -4.560 1.00 0.00 C ATOM 1307 OG SER A 83 -6.532 -9.865 -5.045 1.00 0.00 O ATOM 0 H SER A 83 -6.273 -8.750 -6.743 1.00 0.00 H new ATOM 0 HA SER A 83 -3.981 -7.857 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.730 -10.212 -4.114 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.460 -8.655 -3.772 1.00 0.00 H new ATOM 0 HG SER A 83 -7.170 -9.122 -5.095 1.00 0.00 H new ATOM 1313 N VAL A 84 -2.156 -9.500 -5.680 1.00 0.00 N ATOM 1314 CA VAL A 84 -1.038 -10.343 -6.067 1.00 0.00 C ATOM 1315 C VAL A 84 -0.313 -10.898 -4.840 1.00 0.00 C ATOM 1316 O VAL A 84 -0.017 -12.090 -4.770 1.00 0.00 O ATOM 1317 CB VAL A 84 -0.070 -9.563 -6.989 1.00 0.00 C ATOM 1318 CG1 VAL A 84 0.974 -8.782 -6.213 1.00 0.00 C ATOM 1319 CG2 VAL A 84 0.587 -10.500 -7.991 1.00 0.00 C ATOM 0 H VAL A 84 -1.916 -8.747 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.427 -11.194 -6.625 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.668 -8.831 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.626 -8.254 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.480 -8.061 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.568 -9.469 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.264 -9.933 -8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.149 -11.267 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.180 -10.973 -8.604 1.00 0.00 H new ATOM 1329 N ASP A 85 -0.052 -10.031 -3.869 1.00 0.00 N ATOM 1330 CA ASP A 85 0.613 -10.438 -2.636 1.00 0.00 C ATOM 1331 C ASP A 85 0.207 -9.518 -1.490 1.00 0.00 C ATOM 1332 O ASP A 85 -0.009 -8.323 -1.694 1.00 0.00 O ATOM 1333 CB ASP A 85 2.129 -10.441 -2.818 1.00 0.00 C ATOM 1334 CG ASP A 85 2.673 -11.842 -3.022 1.00 0.00 C ATOM 1335 OD1 ASP A 85 2.944 -12.527 -2.013 1.00 0.00 O ATOM 1336 OD2 ASP A 85 2.828 -12.255 -4.191 1.00 0.00 O ATOM 0 H ASP A 85 -0.291 -9.040 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 85 0.301 -11.453 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.393 -9.821 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.600 -9.993 -1.943 1.00 0.00 H new ATOM 1341 N THR A 86 0.077 -10.076 -0.290 1.00 0.00 N ATOM 1342 CA THR A 86 -0.333 -9.292 0.863 1.00 0.00 C ATOM 1343 C THR A 86 0.645 -9.418 2.031 1.00 0.00 C ATOM 1344 O THR A 86 1.182 -10.495 2.291 1.00 0.00 O ATOM 1345 CB THR A 86 -1.730 -9.725 1.331 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.697 -11.086 1.778 1.00 0.00 O ATOM 1347 CG2 THR A 86 -2.746 -9.581 0.204 1.00 0.00 C ATOM 0 H THR A 86 0.249 -11.062 -0.094 1.00 0.00 H new ATOM 0 HA THR A 86 -0.347 -8.249 0.545 1.00 0.00 H new ATOM 0 HB THR A 86 -2.030 -9.079 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.591 -11.354 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.729 -9.893 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.789 -8.540 -0.116 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.448 -10.207 -0.637 1.00 0.00 H new ATOM 1355 N LEU A 87 0.867 -8.305 2.734 1.00 0.00 N ATOM 1356 CA LEU A 87 1.773 -8.285 3.875 1.00 0.00 C ATOM 1357 C LEU A 87 1.040 -7.800 5.131 1.00 0.00 C ATOM 1358 O LEU A 87 0.432 -6.729 5.133 1.00 0.00 O ATOM 1359 CB LEU A 87 2.987 -7.404 3.533 1.00 0.00 C ATOM 1360 CG LEU A 87 3.409 -6.357 4.566 1.00 0.00 C ATOM 1361 CD1 LEU A 87 3.798 -7.006 5.878 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.561 -5.536 4.019 1.00 0.00 C ATOM 0 H LEU A 87 0.429 -7.407 2.529 1.00 0.00 H new ATOM 0 HA LEU A 87 2.131 -9.292 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.838 -8.060 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.776 -6.888 2.597 1.00 0.00 H new ATOM 0 HG LEU A 87 2.560 -5.702 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.093 -6.236 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.949 -7.562 6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.633 -7.687 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.859 -4.791 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.405 -6.191 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.248 -5.034 3.103 1.00 0.00 H new ATOM 1374 N LEU A 88 1.090 -8.609 6.191 1.00 0.00 N ATOM 1375 CA LEU A 88 0.419 -8.280 7.451 1.00 0.00 C ATOM 1376 C LEU A 88 1.357 -7.534 8.393 1.00 0.00 C ATOM 1377 O LEU A 88 2.538 -7.865 8.499 1.00 0.00 O ATOM 1378 CB LEU A 88 -0.102 -9.553 8.129 1.00 0.00 C ATOM 1379 CG LEU A 88 -1.618 -9.744 8.067 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -1.990 -11.173 8.430 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -2.318 -8.758 8.991 1.00 0.00 C ATOM 0 H LEU A 88 1.589 -9.498 6.202 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.425 -7.630 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.377 -10.415 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.205 -9.541 9.175 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.948 -9.552 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.072 -11.291 8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.518 -11.861 7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.647 -11.393 9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.396 -8.908 8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.983 -8.919 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.077 -7.740 8.686 1.00 0.00 H new ATOM 1393 N GLY A 89 0.830 -6.510 9.060 1.00 0.00 N ATOM 1394 CA GLY A 89 1.648 -5.720 9.960 1.00 0.00 C ATOM 1395 C GLY A 89 2.681 -4.939 9.183 1.00 0.00 C ATOM 1396 O GLY A 89 3.100 -5.377 8.112 1.00 0.00 O ATOM 0 H GLY A 89 -0.144 -6.216 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.018 -5.036 10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.142 -6.372 10.680 1.00 0.00 H new ATOM 1400 N ALA A 90 3.093 -3.780 9.686 1.00 0.00 N ATOM 1401 CA ALA A 90 4.070 -2.992 8.959 1.00 0.00 C ATOM 1402 C ALA A 90 5.459 -3.128 9.555 1.00 0.00 C ATOM 1403 O ALA A 90 5.770 -2.559 10.601 1.00 0.00 O ATOM 1404 CB ALA A 90 3.648 -1.534 8.935 1.00 0.00 C ATOM 0 H ALA A 90 2.775 -3.378 10.568 1.00 0.00 H new ATOM 0 HA ALA A 90 4.112 -3.373 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.388 -0.950 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.679 -1.444 8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.574 -1.160 9.956 1.00 0.00 H new ATOM 1410 N ASN A 91 6.299 -3.848 8.833 1.00 0.00 N ATOM 1411 CA ASN A 91 7.687 -4.044 9.204 1.00 0.00 C ATOM 1412 C ASN A 91 8.550 -3.562 8.046 1.00 0.00 C ATOM 1413 O ASN A 91 8.215 -3.811 6.888 1.00 0.00 O ATOM 1414 CB ASN A 91 7.975 -5.514 9.554 1.00 0.00 C ATOM 1415 CG ASN A 91 6.844 -6.454 9.167 1.00 0.00 C ATOM 1416 OD1 ASN A 91 6.170 -6.254 8.156 1.00 0.00 O ATOM 1417 ND2 ASN A 91 6.634 -7.490 9.972 1.00 0.00 N ATOM 0 H ASN A 91 6.034 -4.316 7.966 1.00 0.00 H new ATOM 0 HA ASN A 91 7.918 -3.471 10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.889 -5.829 9.050 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.157 -5.597 10.625 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.891 -8.157 9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.216 -7.619 10.800 1.00 0.00 H new ATOM 1424 N ASP A 92 9.635 -2.862 8.330 1.00 0.00 N ATOM 1425 CA ASP A 92 10.477 -2.357 7.253 1.00 0.00 C ATOM 1426 C ASP A 92 11.124 -3.511 6.477 1.00 0.00 C ATOM 1427 O ASP A 92 11.196 -3.493 5.251 1.00 0.00 O ATOM 1428 CB ASP A 92 11.567 -1.449 7.825 1.00 0.00 C ATOM 1429 CG ASP A 92 12.372 -2.128 8.916 1.00 0.00 C ATOM 1430 OD1 ASP A 92 11.757 -2.647 9.871 1.00 0.00 O ATOM 1431 OD2 ASP A 92 13.617 -2.140 8.816 1.00 0.00 O ATOM 0 H ASP A 92 9.951 -2.633 9.273 1.00 0.00 H new ATOM 0 HA ASP A 92 9.849 -1.787 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.237 -1.140 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.109 -0.544 8.225 1.00 0.00 H new ATOM 1436 N SER A 93 11.596 -4.509 7.216 1.00 0.00 N ATOM 1437 CA SER A 93 12.256 -5.683 6.636 1.00 0.00 C ATOM 1438 C SER A 93 11.314 -6.629 5.895 1.00 0.00 C ATOM 1439 O SER A 93 11.681 -7.206 4.872 1.00 0.00 O ATOM 1440 CB SER A 93 12.984 -6.452 7.726 1.00 0.00 C ATOM 1441 OG SER A 93 13.488 -7.683 7.236 1.00 0.00 O ATOM 0 H SER A 93 11.534 -4.531 8.234 1.00 0.00 H new ATOM 0 HA SER A 93 12.953 -5.298 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.805 -5.849 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.305 -6.639 8.558 1.00 0.00 H new ATOM 0 HG SER A 93 13.953 -8.156 7.957 1.00 0.00 H new ATOM 1447 N ALA A 94 10.118 -6.815 6.430 1.00 0.00 N ATOM 1448 CA ALA A 94 9.153 -7.726 5.824 1.00 0.00 C ATOM 1449 C ALA A 94 8.709 -7.178 4.501 1.00 0.00 C ATOM 1450 O ALA A 94 8.569 -7.905 3.517 1.00 0.00 O ATOM 1451 CB ALA A 94 7.967 -7.950 6.745 1.00 0.00 C ATOM 0 H ALA A 94 9.791 -6.352 7.278 1.00 0.00 H new ATOM 0 HA ALA A 94 9.630 -8.693 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.262 -8.633 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.312 -8.380 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.474 -6.998 6.942 1.00 0.00 H new ATOM 1457 N LEU A 95 8.524 -5.880 4.481 1.00 0.00 N ATOM 1458 CA LEU A 95 8.137 -5.207 3.278 1.00 0.00 C ATOM 1459 C LEU A 95 9.331 -5.127 2.342 1.00 0.00 C ATOM 1460 O LEU A 95 9.174 -5.127 1.122 1.00 0.00 O ATOM 1461 CB LEU A 95 7.634 -3.812 3.600 1.00 0.00 C ATOM 1462 CG LEU A 95 7.772 -2.819 2.456 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.489 -2.779 1.656 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.186 -1.456 2.979 1.00 0.00 C ATOM 0 H LEU A 95 8.637 -5.272 5.292 1.00 0.00 H new ATOM 0 HA LEU A 95 7.334 -5.763 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.584 -3.874 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.179 -3.432 4.464 1.00 0.00 H new ATOM 0 HG LEU A 95 8.564 -3.142 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.593 -2.066 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.282 -3.769 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.667 -2.472 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.279 -0.760 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.432 -1.089 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.144 -1.539 3.492 1.00 0.00 H new ATOM 1476 N LYS A 96 10.533 -5.064 2.916 1.00 0.00 N ATOM 1477 CA LYS A 96 11.728 -4.990 2.114 1.00 0.00 C ATOM 1478 C LYS A 96 11.746 -6.165 1.154 1.00 0.00 C ATOM 1479 O LYS A 96 12.017 -6.009 -0.032 1.00 0.00 O ATOM 1480 CB LYS A 96 12.961 -5.006 3.022 1.00 0.00 C ATOM 1481 CG LYS A 96 14.277 -5.071 2.274 1.00 0.00 C ATOM 1482 CD LYS A 96 14.357 -4.012 1.191 1.00 0.00 C ATOM 1483 CE LYS A 96 15.389 -4.384 0.153 1.00 0.00 C ATOM 1484 NZ LYS A 96 16.734 -3.834 0.479 1.00 0.00 N ATOM 0 H LYS A 96 10.692 -5.063 3.924 1.00 0.00 H new ATOM 0 HA LYS A 96 11.742 -4.063 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.953 -4.111 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.894 -5.862 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.101 -4.938 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.394 -6.058 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.383 -3.896 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.612 -3.050 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.450 -5.470 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.072 -4.013 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.411 -4.113 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.682 -2.796 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.049 -4.208 1.397 1.00 0.00 H new ATOM 1498 N GLN A 97 11.419 -7.335 1.686 1.00 0.00 N ATOM 1499 CA GLN A 97 11.356 -8.552 0.895 1.00 0.00 C ATOM 1500 C GLN A 97 10.132 -8.563 -0.026 1.00 0.00 C ATOM 1501 O GLN A 97 10.224 -8.979 -1.181 1.00 0.00 O ATOM 1502 CB GLN A 97 11.323 -9.776 1.813 1.00 0.00 C ATOM 1503 CG GLN A 97 12.698 -10.351 2.112 1.00 0.00 C ATOM 1504 CD GLN A 97 13.644 -9.323 2.701 1.00 0.00 C ATOM 1505 OE1 GLN A 97 14.140 -8.443 1.997 1.00 0.00 O ATOM 1506 NE2 GLN A 97 13.901 -9.430 4.000 1.00 0.00 N ATOM 0 H GLN A 97 11.192 -7.465 2.672 1.00 0.00 H new ATOM 0 HA GLN A 97 12.249 -8.587 0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 97 10.841 -9.503 2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.708 -10.549 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.596 -11.185 2.806 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.128 -10.751 1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.468 -10.175 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.531 -8.767 4.451 1.00 0.00 H new ATOM 1515 N LEU A 98 8.976 -8.134 0.496 1.00 0.00 N ATOM 1516 CA LEU A 98 7.746 -8.131 -0.272 1.00 0.00 C ATOM 1517 C LEU A 98 7.770 -7.119 -1.415 1.00 0.00 C ATOM 1518 O LEU A 98 7.412 -7.439 -2.549 1.00 0.00 O ATOM 1519 CB LEU A 98 6.569 -7.843 0.658 1.00 0.00 C ATOM 1520 CG LEU A 98 5.245 -7.617 -0.058 1.00 0.00 C ATOM 1521 CD1 LEU A 98 4.194 -8.610 0.413 1.00 0.00 C ATOM 1522 CD2 LEU A 98 4.767 -6.188 0.138 1.00 0.00 C ATOM 0 H LEU A 98 8.877 -7.786 1.450 1.00 0.00 H new ATOM 0 HA LEU A 98 7.638 -9.117 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.456 -8.677 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.801 -6.961 1.255 1.00 0.00 H new ATOM 0 HG LEU A 98 5.404 -7.780 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.258 -8.426 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.534 -9.625 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.036 -8.491 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.819 -6.047 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.630 -5.993 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.508 -5.498 -0.265 1.00 0.00 H new ATOM 1534 N ILE A 99 8.172 -5.897 -1.103 1.00 0.00 N ATOM 1535 CA ILE A 99 8.224 -4.832 -2.075 1.00 0.00 C ATOM 1536 C ILE A 99 9.317 -5.087 -3.108 1.00 0.00 C ATOM 1537 O ILE A 99 9.154 -4.789 -4.289 1.00 0.00 O ATOM 1538 CB ILE A 99 8.363 -3.466 -1.344 1.00 0.00 C ATOM 1539 CG1 ILE A 99 7.582 -2.403 -2.092 1.00 0.00 C ATOM 1540 CG2 ILE A 99 9.808 -3.020 -1.149 1.00 0.00 C ATOM 1541 CD1 ILE A 99 8.190 -2.083 -3.428 1.00 0.00 C ATOM 0 H ILE A 99 8.470 -5.622 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 99 7.292 -4.799 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 99 7.952 -3.604 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.556 -2.742 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.538 -1.496 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.826 -2.060 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.341 -3.762 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.292 -2.919 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.595 -1.317 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.207 -1.717 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.210 -2.982 -4.043 1.00 0.00 H new ATOM 1553 N GLU A 100 10.415 -5.664 -2.662 1.00 0.00 N ATOM 1554 CA GLU A 100 11.529 -5.984 -3.539 1.00 0.00 C ATOM 1555 C GLU A 100 11.192 -7.055 -4.573 1.00 0.00 C ATOM 1556 O GLU A 100 11.745 -7.066 -5.668 1.00 0.00 O ATOM 1557 CB GLU A 100 12.719 -6.438 -2.710 1.00 0.00 C ATOM 1558 CG GLU A 100 13.699 -5.321 -2.422 1.00 0.00 C ATOM 1559 CD GLU A 100 15.142 -5.785 -2.466 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.478 -6.749 -1.746 1.00 0.00 O ATOM 1561 OE2 GLU A 100 15.936 -5.184 -3.220 1.00 0.00 O ATOM 0 H GLU A 100 10.562 -5.924 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 100 11.767 -5.074 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.361 -6.852 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.236 -7.241 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.556 -4.521 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.486 -4.901 -1.439 1.00 0.00 H new ATOM 1568 N LYS A 101 10.345 -7.991 -4.195 1.00 0.00 N ATOM 1569 CA LYS A 101 10.005 -9.111 -5.061 1.00 0.00 C ATOM 1570 C LYS A 101 9.228 -8.710 -6.301 1.00 0.00 C ATOM 1571 O LYS A 101 9.504 -9.193 -7.400 1.00 0.00 O ATOM 1572 CB LYS A 101 9.163 -10.096 -4.272 1.00 0.00 C ATOM 1573 CG LYS A 101 9.862 -11.413 -3.976 1.00 0.00 C ATOM 1574 CD LYS A 101 8.940 -12.384 -3.254 1.00 0.00 C ATOM 1575 CE LYS A 101 9.366 -12.589 -1.809 1.00 0.00 C ATOM 1576 NZ LYS A 101 8.295 -13.232 -0.999 1.00 0.00 N ATOM 0 H LYS A 101 9.875 -8.001 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 101 10.947 -9.545 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.869 -9.633 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.247 -10.300 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.206 -11.861 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.746 -11.228 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.918 -12.006 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.940 -13.342 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.264 -13.207 -1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.627 -11.627 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.626 -13.354 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.447 -12.631 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.064 -14.161 -1.404 1.00 0.00 H new ATOM 1590 N TYR A 102 8.241 -7.858 -6.122 1.00 0.00 N ATOM 1591 CA TYR A 102 7.412 -7.435 -7.234 1.00 0.00 C ATOM 1592 C TYR A 102 7.865 -6.094 -7.757 1.00 0.00 C ATOM 1593 O TYR A 102 7.691 -5.777 -8.934 1.00 0.00 O ATOM 1594 CB TYR A 102 5.946 -7.359 -6.812 1.00 0.00 C ATOM 1595 CG TYR A 102 5.629 -8.187 -5.597 1.00 0.00 C ATOM 1596 CD1 TYR A 102 6.113 -9.477 -5.481 1.00 0.00 C ATOM 1597 CD2 TYR A 102 4.853 -7.678 -4.571 1.00 0.00 C ATOM 1598 CE1 TYR A 102 5.837 -10.243 -4.375 1.00 0.00 C ATOM 1599 CE2 TYR A 102 4.567 -8.438 -3.453 1.00 0.00 C ATOM 1600 CZ TYR A 102 5.063 -9.722 -3.360 1.00 0.00 C ATOM 1601 OH TYR A 102 4.793 -10.482 -2.246 1.00 0.00 O ATOM 0 H TYR A 102 7.993 -7.446 -5.223 1.00 0.00 H new ATOM 0 HA TYR A 102 7.512 -8.174 -8.029 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.687 -6.319 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.320 -7.689 -7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.719 -9.890 -6.274 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.465 -6.673 -4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 102 6.224 -11.248 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.960 -8.030 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 102 5.563 -10.459 -1.640 1.00 0.00 H new ATOM 1611 N ALA A 103 8.431 -5.300 -6.866 1.00 0.00 N ATOM 1612 CA ALA A 103 8.892 -3.981 -7.229 1.00 0.00 C ATOM 1613 C ALA A 103 10.378 -3.985 -7.522 1.00 0.00 C ATOM 1614 O ALA A 103 10.836 -3.299 -8.434 1.00 0.00 O ATOM 1615 CB ALA A 103 8.563 -3.005 -6.124 1.00 0.00 C ATOM 0 H ALA A 103 8.580 -5.549 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 103 8.380 -3.669 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.912 -2.010 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.484 -2.981 -5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.055 -3.319 -5.203 1.00 0.00 H new ATOM 1621 N ALA A 104 11.138 -4.758 -6.753 1.00 0.00 N ATOM 1622 CA ALA A 104 12.575 -4.817 -6.976 1.00 0.00 C ATOM 1623 C ALA A 104 12.981 -6.096 -7.702 1.00 0.00 C ATOM 1624 CB ALA A 104 13.347 -4.670 -5.675 1.00 0.00 C ATOM 0 H ALA A 104 10.793 -5.338 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 104 12.832 -3.974 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.417 -4.719 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.108 -3.710 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.070 -5.476 -4.995 1.00 0.00 H new TER 1630 ALA A 104