USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 703 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 Single : A 19 SER OG : rot 180:sc= -0.211 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 21 MET CE :methyl 169:sc= 0 (180deg=-0.0558) USER MOD Single : A 23 SER OG : rot -51:sc= 1.14 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.066 (180deg=-0.678) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= -0.195 (180deg=-0.98) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 37 HIS : no HD1:sc= -0.641 X(o=-0.64,f=-0.59) USER MOD Single : A 41 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.47) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 45 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-9.5!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 56 LYS NZ :NH3+ 140:sc= -0.0775 (180deg=-0.836) USER MOD Single : A 57 CYS SG : rot 83:sc= 0.245 USER MOD Single : A 60 HIS : no HD1:sc= -1.52! C(o=-1.5!,f=-4.6!) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= -0.124 (180deg=-0.705) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -2.98 K(o=-3,f=-8.2!) USER MOD Single : A 96 LYS NZ :NH3+ -143:sc= -0.0232 (180deg=-0.619) USER MOD Single : A 97 SER OG : rot 79:sc= 0.0401 USER MOD Single : A 100 ASN :FLIP amide:sc= -1.21 F(o=-1.8,f=-1.2) USER MOD Single : A 101 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.61) USER MOD Single : A 102 GLN : amide:sc= -0.0411 K(o=-0.041,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 4.575 -10.915 -23.081 1.00 0.00 N ATOM 2 CA GLY A 12 4.248 -9.487 -23.367 1.00 0.00 C ATOM 3 C GLY A 12 5.333 -8.587 -22.780 1.00 0.00 C ATOM 4 O GLY A 12 5.074 -7.803 -21.867 1.00 0.00 O ATOM 0 HA2 GLY A 12 4.173 -9.329 -24.443 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.279 -9.232 -22.939 1.00 0.00 H new ATOM 10 N GLY A 13 6.555 -8.712 -23.315 1.00 0.00 N ATOM 11 CA GLY A 13 7.697 -7.914 -22.846 1.00 0.00 C ATOM 12 C GLY A 13 7.997 -8.203 -21.375 1.00 0.00 C ATOM 13 O GLY A 13 7.495 -7.515 -20.484 1.00 0.00 O ATOM 0 H GLY A 13 6.779 -9.358 -24.072 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.575 -8.138 -23.451 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.482 -6.853 -22.976 1.00 0.00 H new ATOM 17 N LEU A 14 8.812 -9.239 -21.130 1.00 0.00 N ATOM 18 CA LEU A 14 9.176 -9.636 -19.760 1.00 0.00 C ATOM 19 C LEU A 14 10.050 -8.545 -19.126 1.00 0.00 C ATOM 20 O LEU A 14 10.854 -7.901 -19.805 1.00 0.00 O ATOM 21 CB LEU A 14 9.935 -11.007 -19.784 1.00 0.00 C ATOM 22 CG LEU A 14 8.946 -12.218 -19.955 1.00 0.00 C ATOM 23 CD1 LEU A 14 8.096 -12.073 -21.254 1.00 0.00 C ATOM 24 CD2 LEU A 14 9.748 -13.550 -19.970 1.00 0.00 C ATOM 0 H LEU A 14 9.231 -9.816 -21.859 1.00 0.00 H new ATOM 0 HA LEU A 14 8.272 -9.754 -19.163 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.657 -11.009 -20.601 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.500 -11.126 -18.859 1.00 0.00 H new ATOM 0 HG LEU A 14 8.257 -12.225 -19.111 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.422 -12.925 -21.345 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.514 -11.153 -21.207 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.757 -12.040 -22.120 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.060 -14.387 -20.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.454 -13.540 -20.800 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.292 -13.658 -19.032 1.00 0.00 H new ATOM 36 N VAL A 15 9.871 -8.347 -17.819 1.00 0.00 N ATOM 37 CA VAL A 15 10.613 -7.336 -17.065 1.00 0.00 C ATOM 38 C VAL A 15 10.463 -7.623 -15.555 1.00 0.00 C ATOM 39 O VAL A 15 9.908 -6.816 -14.808 1.00 0.00 O ATOM 40 CB VAL A 15 10.102 -5.908 -17.461 1.00 0.00 C ATOM 41 CG1 VAL A 15 8.549 -5.791 -17.270 1.00 0.00 C ATOM 42 CG2 VAL A 15 10.869 -4.788 -16.644 1.00 0.00 C ATOM 0 H VAL A 15 9.210 -8.881 -17.255 1.00 0.00 H new ATOM 0 HA VAL A 15 11.676 -7.375 -17.305 1.00 0.00 H new ATOM 0 HB VAL A 15 10.316 -5.754 -18.519 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.222 -4.790 -17.552 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.049 -6.527 -17.899 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.296 -5.974 -16.226 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.497 -3.806 -16.936 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.702 -4.937 -15.577 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.936 -4.850 -16.856 1.00 0.00 H new ATOM 52 N PRO A 16 10.944 -8.767 -15.067 1.00 0.00 N ATOM 53 CA PRO A 16 10.825 -9.100 -13.612 1.00 0.00 C ATOM 54 C PRO A 16 11.804 -8.241 -12.799 1.00 0.00 C ATOM 55 O PRO A 16 12.998 -8.194 -13.102 1.00 0.00 O ATOM 56 CB PRO A 16 11.167 -10.616 -13.557 1.00 0.00 C ATOM 57 CG PRO A 16 12.128 -10.819 -14.703 1.00 0.00 C ATOM 58 CD PRO A 16 11.646 -9.853 -15.820 1.00 0.00 C ATOM 0 HA PRO A 16 9.843 -8.898 -13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.620 -10.888 -12.604 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.274 -11.230 -13.672 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.151 -10.593 -14.403 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.117 -11.853 -15.046 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.482 -9.463 -16.401 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.977 -10.352 -16.521 1.00 0.00 H new ATOM 66 N ARG A 17 11.289 -7.570 -11.762 1.00 0.00 N ATOM 67 CA ARG A 17 12.113 -6.723 -10.896 1.00 0.00 C ATOM 68 C ARG A 17 11.340 -6.402 -9.609 1.00 0.00 C ATOM 69 O ARG A 17 10.498 -5.500 -9.589 1.00 0.00 O ATOM 70 CB ARG A 17 12.503 -5.411 -11.635 1.00 0.00 C ATOM 71 CG ARG A 17 13.489 -4.564 -10.770 1.00 0.00 C ATOM 72 CD ARG A 17 13.886 -3.273 -11.507 1.00 0.00 C ATOM 73 NE ARG A 17 14.575 -3.610 -12.760 1.00 0.00 N ATOM 74 CZ ARG A 17 15.042 -2.669 -13.590 1.00 0.00 C ATOM 75 NH1 ARG A 17 14.903 -1.403 -13.291 1.00 0.00 N ATOM 76 NH2 ARG A 17 15.636 -3.017 -14.698 1.00 0.00 N ATOM 0 H ARG A 17 10.303 -7.598 -11.503 1.00 0.00 H new ATOM 0 HA ARG A 17 13.029 -7.256 -10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.965 -5.651 -12.593 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.607 -4.828 -11.850 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.023 -4.316 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.380 -5.150 -10.546 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.999 -2.676 -11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.535 -2.667 -10.875 1.00 0.00 H new ATOM 0 HE ARG A 17 14.702 -4.592 -13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.438 -1.132 -12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.259 -0.687 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.744 -4.004 -14.931 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.993 -2.302 -15.332 1.00 0.00 H new ATOM 90 N GLY A 18 11.658 -7.126 -8.529 1.00 0.00 N ATOM 91 CA GLY A 18 11.022 -6.911 -7.226 1.00 0.00 C ATOM 92 C GLY A 18 11.362 -5.521 -6.689 1.00 0.00 C ATOM 93 O GLY A 18 10.537 -4.873 -6.042 1.00 0.00 O ATOM 0 H GLY A 18 12.356 -7.870 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.941 -7.017 -7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 18 11.357 -7.672 -6.521 1.00 0.00 H new ATOM 97 N SER A 19 12.593 -5.057 -6.981 1.00 0.00 N ATOM 98 CA SER A 19 13.050 -3.727 -6.545 1.00 0.00 C ATOM 99 C SER A 19 12.232 -2.661 -7.254 1.00 0.00 C ATOM 100 O SER A 19 11.273 -2.989 -7.946 1.00 0.00 O ATOM 101 CB SER A 19 14.546 -3.527 -6.878 1.00 0.00 C ATOM 102 OG SER A 19 14.722 -3.423 -8.284 1.00 0.00 O ATOM 0 H SER A 19 13.285 -5.583 -7.515 1.00 0.00 H new ATOM 0 HA SER A 19 12.919 -3.647 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.918 -2.627 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.128 -4.364 -6.491 1.00 0.00 H new ATOM 0 HG SER A 19 15.672 -3.295 -8.486 1.00 0.00 H new ATOM 108 N HIS A 20 12.622 -1.394 -7.075 1.00 0.00 N ATOM 109 CA HIS A 20 11.934 -0.247 -7.697 1.00 0.00 C ATOM 110 C HIS A 20 10.560 -0.017 -7.052 1.00 0.00 C ATOM 111 O HIS A 20 10.182 1.123 -6.769 1.00 0.00 O ATOM 112 CB HIS A 20 11.786 -0.445 -9.244 1.00 0.00 C ATOM 113 CG HIS A 20 11.444 0.860 -9.919 1.00 0.00 C ATOM 114 ND1 HIS A 20 12.360 1.891 -10.026 1.00 0.00 N ATOM 115 CD2 HIS A 20 10.295 1.312 -10.522 1.00 0.00 C ATOM 116 CE1 HIS A 20 11.761 2.902 -10.671 1.00 0.00 C ATOM 117 NE2 HIS A 20 10.500 2.604 -10.996 1.00 0.00 N ATOM 0 H HIS A 20 13.420 -1.131 -6.497 1.00 0.00 H new ATOM 0 HA HIS A 20 12.548 0.638 -7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.715 -0.840 -9.655 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.008 -1.181 -9.449 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.376 0.752 -10.614 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.240 3.843 -10.900 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.831 3.197 -11.487 1.00 0.00 H new ATOM 125 N MET A 21 9.815 -1.110 -6.823 1.00 0.00 N ATOM 126 CA MET A 21 8.482 -1.039 -6.210 1.00 0.00 C ATOM 127 C MET A 21 8.583 -0.438 -4.809 1.00 0.00 C ATOM 128 O MET A 21 7.814 0.447 -4.448 1.00 0.00 O ATOM 129 CB MET A 21 7.892 -2.469 -6.132 1.00 0.00 C ATOM 130 CG MET A 21 7.702 -3.049 -7.550 1.00 0.00 C ATOM 131 SD MET A 21 7.006 -4.714 -7.426 1.00 0.00 S ATOM 132 CE MET A 21 7.026 -5.091 -9.193 1.00 0.00 C ATOM 0 H MET A 21 10.116 -2.057 -7.055 1.00 0.00 H new ATOM 0 HA MET A 21 7.832 -0.405 -6.813 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.556 -3.112 -5.555 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.936 -2.447 -5.610 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.040 -2.408 -8.132 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.657 -3.080 -8.074 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.818 -6.151 -9.341 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.265 -4.498 -9.700 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.007 -4.852 -9.605 1.00 0.00 H new ATOM 142 N ALA A 22 9.525 -0.946 -4.005 1.00 0.00 N ATOM 143 CA ALA A 22 9.703 -0.451 -2.633 1.00 0.00 C ATOM 144 C ALA A 22 9.929 1.066 -2.638 1.00 0.00 C ATOM 145 O ALA A 22 9.222 1.795 -1.970 1.00 0.00 O ATOM 146 CB ALA A 22 10.914 -1.155 -1.979 1.00 0.00 C ATOM 0 H ALA A 22 10.168 -1.690 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 22 8.802 -0.670 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.044 -0.786 -0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.740 -2.231 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.813 -0.945 -2.558 1.00 0.00 H new ATOM 152 N SER A 23 10.914 1.527 -3.418 1.00 0.00 N ATOM 153 CA SER A 23 11.232 2.963 -3.505 1.00 0.00 C ATOM 154 C SER A 23 9.990 3.792 -3.850 1.00 0.00 C ATOM 155 O SER A 23 9.783 4.874 -3.294 1.00 0.00 O ATOM 156 CB SER A 23 12.306 3.190 -4.582 1.00 0.00 C ATOM 157 OG SER A 23 11.747 2.907 -5.859 1.00 0.00 O ATOM 0 H SER A 23 11.505 0.931 -3.998 1.00 0.00 H new ATOM 0 HA SER A 23 11.601 3.285 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.663 4.219 -4.547 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.167 2.547 -4.397 1.00 0.00 H new ATOM 0 HG SER A 23 11.311 2.029 -5.838 1.00 0.00 H new ATOM 163 N LYS A 24 9.178 3.285 -4.788 1.00 0.00 N ATOM 164 CA LYS A 24 7.962 3.988 -5.234 1.00 0.00 C ATOM 165 C LYS A 24 7.112 4.432 -4.031 1.00 0.00 C ATOM 166 O LYS A 24 6.434 5.459 -4.079 1.00 0.00 O ATOM 167 CB LYS A 24 7.122 3.068 -6.165 1.00 0.00 C ATOM 168 CG LYS A 24 5.929 3.850 -6.792 1.00 0.00 C ATOM 169 CD LYS A 24 5.115 2.935 -7.750 1.00 0.00 C ATOM 170 CE LYS A 24 3.937 3.728 -8.357 1.00 0.00 C ATOM 171 NZ LYS A 24 3.054 4.185 -7.246 1.00 0.00 N ATOM 0 H LYS A 24 9.339 2.392 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 24 8.267 4.876 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.756 2.669 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.746 2.217 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.280 4.227 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.302 4.716 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.760 2.560 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.740 2.067 -7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.307 4.583 -8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.378 3.103 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.107 4.396 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.984 3.436 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.455 5.042 -6.814 1.00 0.00 H new ATOM 185 N ARG A 25 7.155 3.636 -2.967 1.00 0.00 N ATOM 186 CA ARG A 25 6.395 3.928 -1.743 1.00 0.00 C ATOM 187 C ARG A 25 7.020 5.126 -1.030 1.00 0.00 C ATOM 188 O ARG A 25 6.331 5.946 -0.426 1.00 0.00 O ATOM 189 CB ARG A 25 6.386 2.653 -0.809 1.00 0.00 C ATOM 190 CG ARG A 25 7.486 2.695 0.314 1.00 0.00 C ATOM 191 CD ARG A 25 7.538 1.372 1.068 1.00 0.00 C ATOM 192 NE ARG A 25 8.578 1.455 2.093 1.00 0.00 N ATOM 193 CZ ARG A 25 8.983 0.388 2.778 1.00 0.00 C ATOM 194 NH1 ARG A 25 8.455 -0.783 2.537 1.00 0.00 N ATOM 195 NH2 ARG A 25 9.912 0.518 3.683 1.00 0.00 N ATOM 0 H ARG A 25 7.708 2.780 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 25 5.364 4.176 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.405 2.560 -0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.535 1.763 -1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.459 2.904 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.272 3.507 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.572 1.161 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.750 0.554 0.380 1.00 0.00 H new ATOM 0 HE ARG A 25 9.007 2.360 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.732 -0.880 1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.766 -1.600 3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.324 1.433 3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.227 -0.296 4.211 1.00 0.00 H new ATOM 209 N ASP A 26 8.360 5.165 -1.053 1.00 0.00 N ATOM 210 CA ASP A 26 9.122 6.208 -0.364 1.00 0.00 C ATOM 211 C ASP A 26 8.822 7.578 -0.957 1.00 0.00 C ATOM 212 O ASP A 26 8.867 8.592 -0.252 1.00 0.00 O ATOM 213 CB ASP A 26 10.647 5.921 -0.437 1.00 0.00 C ATOM 214 CG ASP A 26 11.428 6.899 0.462 1.00 0.00 C ATOM 215 OD1 ASP A 26 11.271 6.812 1.667 1.00 0.00 O ATOM 216 OD2 ASP A 26 12.167 7.715 -0.071 1.00 0.00 O ATOM 0 H ASP A 26 8.937 4.482 -1.544 1.00 0.00 H new ATOM 0 HA ASP A 26 8.817 6.205 0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.845 4.895 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.991 6.013 -1.467 1.00 0.00 H new ATOM 221 N LYS A 27 8.535 7.597 -2.263 1.00 0.00 N ATOM 222 CA LYS A 27 8.240 8.856 -2.971 1.00 0.00 C ATOM 223 C LYS A 27 6.994 9.516 -2.381 1.00 0.00 C ATOM 224 O LYS A 27 7.055 10.636 -1.889 1.00 0.00 O ATOM 225 CB LYS A 27 8.000 8.561 -4.504 1.00 0.00 C ATOM 226 CG LYS A 27 9.311 8.677 -5.337 1.00 0.00 C ATOM 227 CD LYS A 27 10.342 7.601 -4.895 1.00 0.00 C ATOM 228 CE LYS A 27 11.646 7.738 -5.697 1.00 0.00 C ATOM 229 NZ LYS A 27 12.603 6.700 -5.230 1.00 0.00 N ATOM 0 H LYS A 27 8.500 6.764 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 27 9.089 9.530 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.586 7.559 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.260 9.259 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.086 8.558 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.740 9.671 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.551 7.706 -3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.922 6.606 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.449 7.619 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.071 8.733 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.562 7.101 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.330 6.379 -4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.587 5.893 -5.886 1.00 0.00 H new ATOM 243 N ILE A 28 5.863 8.807 -2.422 1.00 0.00 N ATOM 244 CA ILE A 28 4.603 9.349 -1.888 1.00 0.00 C ATOM 245 C ILE A 28 4.754 9.656 -0.393 1.00 0.00 C ATOM 246 O ILE A 28 4.250 10.662 0.084 1.00 0.00 O ATOM 247 CB ILE A 28 3.421 8.356 -2.153 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.802 6.935 -1.624 1.00 0.00 C ATOM 249 CG2 ILE A 28 3.106 8.299 -3.682 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.622 5.957 -1.718 1.00 0.00 C ATOM 0 H ILE A 28 5.789 7.868 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 28 4.371 10.281 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 28 2.532 8.704 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.643 6.547 -2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.131 7.009 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.283 7.606 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.826 9.292 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.989 7.959 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.927 4.981 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.790 6.332 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.310 5.863 -2.758 1.00 0.00 H new ATOM 262 N ALA A 29 5.439 8.779 0.335 1.00 0.00 N ATOM 263 CA ALA A 29 5.634 8.949 1.778 1.00 0.00 C ATOM 264 C ALA A 29 6.211 10.338 2.107 1.00 0.00 C ATOM 265 O ALA A 29 5.619 11.104 2.869 1.00 0.00 O ATOM 266 CB ALA A 29 6.585 7.847 2.293 1.00 0.00 C ATOM 0 H ALA A 29 5.871 7.939 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 29 4.666 8.867 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.734 7.968 3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.148 6.868 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.544 7.926 1.782 1.00 0.00 H new ATOM 272 N ASP A 30 7.375 10.629 1.530 1.00 0.00 N ATOM 273 CA ASP A 30 8.064 11.899 1.755 1.00 0.00 C ATOM 274 C ASP A 30 7.308 13.085 1.137 1.00 0.00 C ATOM 275 O ASP A 30 7.248 14.148 1.732 1.00 0.00 O ATOM 276 CB ASP A 30 9.481 11.817 1.135 1.00 0.00 C ATOM 277 CG ASP A 30 10.238 10.609 1.691 1.00 0.00 C ATOM 278 OD1 ASP A 30 10.172 10.399 2.891 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.864 9.907 0.912 1.00 0.00 O ATOM 0 H ASP A 30 7.865 9.996 0.897 1.00 0.00 H new ATOM 0 HA ASP A 30 8.118 12.067 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.406 11.739 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.033 12.731 1.352 1.00 0.00 H new ATOM 284 N ILE A 31 6.734 12.881 -0.054 1.00 0.00 N ATOM 285 CA ILE A 31 5.985 13.942 -0.758 1.00 0.00 C ATOM 286 C ILE A 31 4.684 14.263 -0.030 1.00 0.00 C ATOM 287 O ILE A 31 4.305 15.430 0.087 1.00 0.00 O ATOM 288 CB ILE A 31 5.681 13.488 -2.227 1.00 0.00 C ATOM 289 CG1 ILE A 31 7.027 13.355 -3.035 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.715 14.505 -2.955 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.810 12.601 -4.362 1.00 0.00 C ATOM 0 H ILE A 31 6.771 11.993 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 31 6.596 14.844 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 31 5.182 12.520 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.431 14.347 -3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.766 12.828 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.524 14.161 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.773 14.566 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.181 15.490 -2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.757 12.525 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.430 11.601 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.090 13.143 -4.975 1.00 0.00 H new ATOM 303 N GLN A 32 3.976 13.215 0.408 1.00 0.00 N ATOM 304 CA GLN A 32 2.678 13.392 1.069 1.00 0.00 C ATOM 305 C GLN A 32 2.835 14.195 2.350 1.00 0.00 C ATOM 306 O GLN A 32 2.232 15.251 2.496 1.00 0.00 O ATOM 307 CB GLN A 32 2.037 12.010 1.400 1.00 0.00 C ATOM 308 CG GLN A 32 0.594 12.184 1.971 1.00 0.00 C ATOM 309 CD GLN A 32 -0.068 10.820 2.203 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.538 9.928 2.798 1.00 0.00 O ATOM 311 NE2 GLN A 32 -1.277 10.605 1.756 1.00 0.00 N ATOM 0 H GLN A 32 4.276 12.244 0.318 1.00 0.00 H new ATOM 0 HA GLN A 32 2.025 13.934 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.004 11.396 0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.657 11.482 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.633 12.738 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.008 12.772 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.778 11.345 1.263 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.720 9.698 1.900 1.00 0.00 H new ATOM 320 N GLU A 33 3.663 13.680 3.266 1.00 0.00 N ATOM 321 CA GLU A 33 3.894 14.343 4.549 1.00 0.00 C ATOM 322 C GLU A 33 4.481 15.719 4.331 1.00 0.00 C ATOM 323 O GLU A 33 3.952 16.698 4.852 1.00 0.00 O ATOM 324 CB GLU A 33 4.860 13.501 5.410 1.00 0.00 C ATOM 325 CG GLU A 33 4.245 12.108 5.699 1.00 0.00 C ATOM 326 CD GLU A 33 5.198 11.287 6.573 1.00 0.00 C ATOM 327 OE1 GLU A 33 5.443 11.710 7.690 1.00 0.00 O ATOM 328 OE2 GLU A 33 5.673 10.261 6.112 1.00 0.00 O ATOM 0 H GLU A 33 4.181 12.810 3.141 1.00 0.00 H new ATOM 0 HA GLU A 33 2.940 14.442 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.813 13.386 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.066 14.017 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.285 12.222 6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.054 11.584 4.762 1.00 0.00 H new ATOM 335 N ALA A 34 5.631 15.781 3.633 1.00 0.00 N ATOM 336 CA ALA A 34 6.339 17.048 3.446 1.00 0.00 C ATOM 337 C ALA A 34 5.355 18.150 3.101 1.00 0.00 C ATOM 338 O ALA A 34 5.254 19.088 3.853 1.00 0.00 O ATOM 339 CB ALA A 34 7.385 16.927 2.305 1.00 0.00 C ATOM 0 H ALA A 34 6.080 14.976 3.197 1.00 0.00 H new ATOM 0 HA ALA A 34 6.851 17.291 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.901 17.879 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.109 16.152 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.880 16.664 1.375 1.00 0.00 H new ATOM 345 N LEU A 35 4.601 17.982 2.014 1.00 0.00 N ATOM 346 CA LEU A 35 3.591 18.967 1.619 1.00 0.00 C ATOM 347 C LEU A 35 2.415 19.034 2.622 1.00 0.00 C ATOM 348 O LEU A 35 2.090 20.101 3.150 1.00 0.00 O ATOM 349 CB LEU A 35 3.034 18.587 0.218 1.00 0.00 C ATOM 350 CG LEU A 35 2.156 19.770 -0.386 1.00 0.00 C ATOM 351 CD1 LEU A 35 3.048 20.733 -1.227 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.977 19.199 -1.232 1.00 0.00 C ATOM 0 H LEU A 35 4.669 17.176 1.393 1.00 0.00 H new ATOM 0 HA LEU A 35 4.071 19.945 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.860 18.361 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.429 17.683 0.296 1.00 0.00 H new ATOM 0 HG LEU A 35 1.727 20.344 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.434 21.536 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.826 21.157 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.509 20.180 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.388 20.022 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.374 18.599 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.344 18.576 -0.600 1.00 0.00 H new ATOM 364 N ALA A 36 1.737 17.898 2.824 1.00 0.00 N ATOM 365 CA ALA A 36 0.547 17.849 3.716 1.00 0.00 C ATOM 366 C ALA A 36 0.869 18.514 5.060 1.00 0.00 C ATOM 367 O ALA A 36 0.231 19.490 5.464 1.00 0.00 O ATOM 368 CB ALA A 36 0.099 16.389 3.941 1.00 0.00 C ATOM 0 H ALA A 36 1.979 17.006 2.393 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.268 18.392 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.772 16.373 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.158 15.936 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.910 15.826 4.403 1.00 0.00 H new ATOM 374 N HIS A 37 1.893 17.979 5.712 1.00 0.00 N ATOM 375 CA HIS A 37 2.383 18.487 6.987 1.00 0.00 C ATOM 376 C HIS A 37 3.246 19.738 6.754 1.00 0.00 C ATOM 377 O HIS A 37 4.083 20.050 7.605 1.00 0.00 O ATOM 378 CB HIS A 37 3.230 17.393 7.718 1.00 0.00 C ATOM 379 CG HIS A 37 3.448 17.793 9.155 1.00 0.00 C ATOM 380 ND1 HIS A 37 2.394 17.868 10.045 1.00 0.00 N ATOM 381 CD2 HIS A 37 4.559 18.202 9.851 1.00 0.00 C ATOM 382 CE1 HIS A 37 2.877 18.312 11.211 1.00 0.00 C ATOM 383 NE2 HIS A 37 4.192 18.532 11.152 1.00 0.00 N ATOM 0 H HIS A 37 2.412 17.172 5.367 1.00 0.00 H new ATOM 0 HA HIS A 37 1.528 18.748 7.611 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.718 16.432 7.672 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.189 17.267 7.216 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.561 18.259 9.451 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.275 18.473 12.093 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.798 18.870 11.900 1.00 0.00 H new ATOM 391 N ALA A 38 3.037 20.473 5.619 1.00 0.00 N ATOM 392 CA ALA A 38 3.825 21.712 5.340 1.00 0.00 C ATOM 393 C ALA A 38 2.979 22.949 5.477 1.00 0.00 C ATOM 394 O ALA A 38 3.351 23.819 6.254 1.00 0.00 O ATOM 395 CB ALA A 38 4.395 21.760 3.878 1.00 0.00 C ATOM 0 H ALA A 38 2.350 20.237 4.903 1.00 0.00 H new ATOM 0 HA ALA A 38 4.635 21.686 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.957 22.683 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.053 20.906 3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.571 21.724 3.165 1.00 0.00 H new ATOM 401 N ASP A 39 1.828 22.989 4.707 1.00 0.00 N ATOM 402 CA ASP A 39 0.858 24.151 4.651 1.00 0.00 C ATOM 403 C ASP A 39 1.338 25.316 5.534 1.00 0.00 C ATOM 404 O ASP A 39 0.638 25.781 6.434 1.00 0.00 O ATOM 405 CB ASP A 39 -0.570 23.698 5.059 1.00 0.00 C ATOM 406 CG ASP A 39 -0.544 23.106 6.469 1.00 0.00 C ATOM 407 OD1 ASP A 39 0.095 22.085 6.640 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.170 23.678 7.350 1.00 0.00 O ATOM 0 H ASP A 39 1.549 22.213 4.107 1.00 0.00 H new ATOM 0 HA ASP A 39 0.819 24.507 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.254 24.546 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.943 22.958 4.351 1.00 0.00 H new ATOM 413 N ALA A 40 2.614 25.697 5.313 1.00 0.00 N ATOM 414 CA ALA A 40 3.284 26.699 6.137 1.00 0.00 C ATOM 415 C ALA A 40 2.636 28.043 5.955 1.00 0.00 C ATOM 416 O ALA A 40 2.282 28.714 6.932 1.00 0.00 O ATOM 417 CB ALA A 40 4.792 26.754 5.770 1.00 0.00 C ATOM 0 H ALA A 40 3.194 25.318 4.565 1.00 0.00 H new ATOM 0 HA ALA A 40 3.192 26.422 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.289 27.503 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.245 25.779 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.901 27.019 4.718 1.00 0.00 H new ATOM 423 N ASN A 41 2.488 28.444 4.693 1.00 0.00 N ATOM 424 CA ASN A 41 1.878 29.731 4.389 1.00 0.00 C ATOM 425 C ASN A 41 0.359 29.622 4.533 1.00 0.00 C ATOM 426 O ASN A 41 -0.331 30.637 4.606 1.00 0.00 O ATOM 427 CB ASN A 41 2.267 30.117 2.944 1.00 0.00 C ATOM 428 CG ASN A 41 3.794 30.133 2.807 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.497 30.552 3.728 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.351 29.690 1.712 1.00 0.00 N ATOM 0 H ASN A 41 2.778 27.904 3.878 1.00 0.00 H new ATOM 0 HA ASN A 41 2.229 30.499 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.836 29.406 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.860 31.097 2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.367 29.691 1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.770 29.343 0.949 1.00 0.00 H new ATOM 437 N ALA A 42 -0.165 28.380 4.556 1.00 0.00 N ATOM 438 CA ALA A 42 -1.615 28.152 4.677 1.00 0.00 C ATOM 439 C ALA A 42 -2.393 28.971 3.619 1.00 0.00 C ATOM 440 O ALA A 42 -3.289 29.745 3.961 1.00 0.00 O ATOM 441 CB ALA A 42 -2.071 28.533 6.106 1.00 0.00 C ATOM 0 H ALA A 42 0.391 27.527 4.493 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.827 27.098 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.144 28.366 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.542 27.917 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.849 29.584 6.291 1.00 0.00 H new ATOM 447 N ASP A 43 -2.040 28.784 2.329 1.00 0.00 N ATOM 448 CA ASP A 43 -2.705 29.504 1.211 1.00 0.00 C ATOM 449 C ASP A 43 -3.748 28.609 0.546 1.00 0.00 C ATOM 450 O ASP A 43 -4.539 29.089 -0.249 1.00 0.00 O ATOM 451 CB ASP A 43 -1.648 29.964 0.164 1.00 0.00 C ATOM 452 CG ASP A 43 -2.291 30.824 -0.948 1.00 0.00 C ATOM 453 OD1 ASP A 43 -3.368 31.360 -0.727 1.00 0.00 O ATOM 454 OD2 ASP A 43 -1.686 30.937 -1.999 1.00 0.00 O ATOM 0 H ASP A 43 -1.303 28.145 2.032 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.207 30.383 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.866 30.537 0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.170 29.091 -0.280 1.00 0.00 H new ATOM 459 N GLN A 44 -3.722 27.315 0.878 1.00 0.00 N ATOM 460 CA GLN A 44 -4.650 26.311 0.328 1.00 0.00 C ATOM 461 C GLN A 44 -4.471 26.162 -1.180 1.00 0.00 C ATOM 462 O GLN A 44 -5.218 25.420 -1.821 1.00 0.00 O ATOM 463 CB GLN A 44 -6.126 26.709 0.645 1.00 0.00 C ATOM 464 CG GLN A 44 -6.302 26.947 2.170 1.00 0.00 C ATOM 465 CD GLN A 44 -7.738 27.388 2.483 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.693 26.733 2.065 1.00 0.00 O ATOM 467 NE2 GLN A 44 -7.940 28.479 3.172 1.00 0.00 N ATOM 0 H GLN A 44 -3.052 26.927 1.542 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.424 25.354 0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.393 27.612 0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.802 25.922 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.069 26.033 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.599 27.708 2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.146 29.019 3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.892 28.791 3.366 1.00 0.00 H new ATOM 476 N HIS A 45 -3.451 26.847 -1.732 1.00 0.00 N ATOM 477 CA HIS A 45 -3.123 26.800 -3.168 1.00 0.00 C ATOM 478 C HIS A 45 -1.748 26.183 -3.321 1.00 0.00 C ATOM 479 O HIS A 45 -1.048 25.942 -2.334 1.00 0.00 O ATOM 480 CB HIS A 45 -3.143 28.228 -3.778 1.00 0.00 C ATOM 481 CG HIS A 45 -4.557 28.765 -3.810 1.00 0.00 C ATOM 482 ND1 HIS A 45 -5.189 29.247 -2.679 1.00 0.00 N ATOM 483 CD2 HIS A 45 -5.473 28.879 -4.827 1.00 0.00 C ATOM 484 CE1 HIS A 45 -6.428 29.623 -3.031 1.00 0.00 C ATOM 485 NE2 HIS A 45 -6.656 29.420 -4.331 1.00 0.00 N ATOM 0 H HIS A 45 -2.830 27.450 -1.192 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.864 26.201 -3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.508 28.891 -3.190 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.732 28.206 -4.787 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.786 29.306 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.302 28.593 -5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.152 30.039 -2.346 1.00 0.00 H new ATOM 493 N LEU A 46 -1.373 25.941 -4.582 1.00 0.00 N ATOM 494 CA LEU A 46 -0.075 25.350 -4.940 1.00 0.00 C ATOM 495 C LEU A 46 0.637 26.197 -5.995 1.00 0.00 C ATOM 496 O LEU A 46 0.235 26.214 -7.156 1.00 0.00 O ATOM 497 CB LEU A 46 -0.320 23.895 -5.471 1.00 0.00 C ATOM 498 CG LEU A 46 -0.436 22.861 -4.288 1.00 0.00 C ATOM 499 CD1 LEU A 46 -0.947 21.487 -4.816 1.00 0.00 C ATOM 500 CD2 LEU A 46 0.951 22.696 -3.546 1.00 0.00 C ATOM 0 H LEU A 46 -1.963 26.150 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 46 0.567 25.319 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.233 23.873 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.498 23.605 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.159 23.244 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.022 20.784 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.928 21.615 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.249 21.100 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.846 21.977 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.701 22.339 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.264 23.658 -3.141 1.00 0.00 H new ATOM 512 N ASP A 47 1.721 26.851 -5.577 1.00 0.00 N ATOM 513 CA ASP A 47 2.558 27.666 -6.461 1.00 0.00 C ATOM 514 C ASP A 47 3.874 26.938 -6.628 1.00 0.00 C ATOM 515 O ASP A 47 4.310 26.228 -5.715 1.00 0.00 O ATOM 516 CB ASP A 47 2.784 29.050 -5.826 1.00 0.00 C ATOM 517 CG ASP A 47 1.433 29.747 -5.652 1.00 0.00 C ATOM 518 OD1 ASP A 47 0.647 29.707 -6.587 1.00 0.00 O ATOM 519 OD2 ASP A 47 1.202 30.307 -4.593 1.00 0.00 O ATOM 0 H ASP A 47 2.046 26.831 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 47 2.082 27.814 -7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.280 28.945 -4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.439 29.651 -6.457 1.00 0.00 H new ATOM 524 N PHE A 48 4.472 27.072 -7.815 1.00 0.00 N ATOM 525 CA PHE A 48 5.720 26.397 -8.156 1.00 0.00 C ATOM 526 C PHE A 48 6.708 26.424 -6.987 1.00 0.00 C ATOM 527 O PHE A 48 7.322 25.423 -6.682 1.00 0.00 O ATOM 528 CB PHE A 48 6.348 27.089 -9.406 1.00 0.00 C ATOM 529 CG PHE A 48 7.242 26.099 -10.171 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.648 25.166 -11.043 1.00 0.00 C ATOM 531 CD2 PHE A 48 8.643 26.089 -10.001 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.436 24.241 -11.736 1.00 0.00 C ATOM 533 CE2 PHE A 48 9.432 25.159 -10.702 1.00 0.00 C ATOM 534 CZ PHE A 48 8.826 24.237 -11.567 1.00 0.00 C ATOM 0 H PHE A 48 4.101 27.654 -8.566 1.00 0.00 H new ATOM 0 HA PHE A 48 5.502 25.352 -8.378 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.559 27.458 -10.061 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.934 27.954 -9.095 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.576 25.165 -11.178 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.110 26.796 -9.332 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.972 23.529 -12.402 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.504 25.155 -10.574 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.432 23.522 -12.104 1.00 0.00 H new ATOM 544 N ASP A 49 6.832 27.593 -6.348 1.00 0.00 N ATOM 545 CA ASP A 49 7.752 27.768 -5.211 1.00 0.00 C ATOM 546 C ASP A 49 7.582 26.641 -4.183 1.00 0.00 C ATOM 547 O ASP A 49 8.549 25.956 -3.821 1.00 0.00 O ATOM 548 CB ASP A 49 7.469 29.132 -4.539 1.00 0.00 C ATOM 549 CG ASP A 49 7.612 30.263 -5.559 1.00 0.00 C ATOM 550 OD1 ASP A 49 8.567 30.226 -6.319 1.00 0.00 O ATOM 551 OD2 ASP A 49 6.771 31.147 -5.566 1.00 0.00 O ATOM 0 H ASP A 49 6.309 28.433 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 49 8.776 27.736 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.463 29.137 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.161 29.289 -3.712 1.00 0.00 H new ATOM 556 N GLU A 50 6.342 26.465 -3.732 1.00 0.00 N ATOM 557 CA GLU A 50 6.013 25.424 -2.755 1.00 0.00 C ATOM 558 C GLU A 50 6.369 24.054 -3.328 1.00 0.00 C ATOM 559 O GLU A 50 7.066 23.285 -2.705 1.00 0.00 O ATOM 560 CB GLU A 50 4.492 25.464 -2.422 1.00 0.00 C ATOM 561 CG GLU A 50 4.103 26.800 -1.729 1.00 0.00 C ATOM 562 CD GLU A 50 4.780 26.920 -0.354 1.00 0.00 C ATOM 563 OE1 GLU A 50 4.629 26.003 0.437 1.00 0.00 O ATOM 564 OE2 GLU A 50 5.434 27.925 -0.113 1.00 0.00 O ATOM 0 H GLU A 50 5.546 27.030 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 50 6.584 25.601 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.913 25.344 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.237 24.627 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.397 27.640 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.021 26.852 -1.612 1.00 0.00 H new ATOM 571 N TRP A 51 5.905 23.774 -4.535 1.00 0.00 N ATOM 572 CA TRP A 51 6.183 22.487 -5.182 1.00 0.00 C ATOM 573 C TRP A 51 7.672 22.327 -5.518 1.00 0.00 C ATOM 574 O TRP A 51 8.166 21.206 -5.663 1.00 0.00 O ATOM 575 CB TRP A 51 5.346 22.385 -6.487 1.00 0.00 C ATOM 576 CG TRP A 51 5.332 20.962 -6.980 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.960 20.486 -8.082 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.687 19.827 -6.355 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.693 19.130 -8.203 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.916 18.678 -7.153 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.912 19.686 -5.185 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.401 17.434 -6.801 1.00 0.00 C ATOM 583 CZ3 TRP A 51 3.398 18.433 -4.829 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.638 17.308 -5.635 1.00 0.00 C ATOM 0 H TRP A 51 5.336 24.413 -5.091 1.00 0.00 H new ATOM 0 HA TRP A 51 5.911 21.692 -4.488 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.327 22.725 -6.303 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.767 23.039 -7.251 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.570 21.068 -8.757 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.027 18.543 -8.967 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.715 20.546 -4.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.589 16.572 -7.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.812 18.331 -3.927 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.234 16.346 -5.355 1.00 0.00 H new ATOM 595 N ARG A 52 8.367 23.457 -5.653 1.00 0.00 N ATOM 596 CA ARG A 52 9.797 23.456 -5.994 1.00 0.00 C ATOM 597 C ARG A 52 10.695 23.216 -4.781 1.00 0.00 C ATOM 598 O ARG A 52 11.447 22.270 -4.748 1.00 0.00 O ATOM 599 CB ARG A 52 10.190 24.823 -6.635 1.00 0.00 C ATOM 600 CG ARG A 52 11.684 24.833 -7.104 1.00 0.00 C ATOM 601 CD ARG A 52 12.050 26.193 -7.732 1.00 0.00 C ATOM 602 NE ARG A 52 11.894 27.255 -6.724 1.00 0.00 N ATOM 603 CZ ARG A 52 12.777 27.443 -5.729 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.821 26.666 -5.606 1.00 0.00 N ATOM 605 NH2 ARG A 52 12.586 28.408 -4.866 1.00 0.00 N ATOM 0 H ARG A 52 7.966 24.387 -5.532 1.00 0.00 H new ATOM 0 HA ARG A 52 9.949 22.635 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.540 25.027 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.030 25.623 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.338 24.631 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.848 24.036 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.076 26.172 -8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.409 26.394 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 52 11.084 27.872 -6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.973 25.907 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.484 26.819 -4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.770 29.013 -4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.254 28.555 -4.109 1.00 0.00 H new ATOM 619 N GLN A 53 10.630 24.127 -3.809 1.00 0.00 N ATOM 620 CA GLN A 53 11.505 24.064 -2.630 1.00 0.00 C ATOM 621 C GLN A 53 11.156 22.915 -1.699 1.00 0.00 C ATOM 622 O GLN A 53 12.042 22.344 -1.057 1.00 0.00 O ATOM 623 CB GLN A 53 11.434 25.408 -1.840 1.00 0.00 C ATOM 624 CG GLN A 53 12.533 25.458 -0.727 1.00 0.00 C ATOM 625 CD GLN A 53 12.454 26.759 0.072 1.00 0.00 C ATOM 626 OE1 GLN A 53 11.361 27.248 0.354 1.00 0.00 O ATOM 627 NE2 GLN A 53 13.556 27.330 0.473 1.00 0.00 N ATOM 0 H GLN A 53 9.984 24.916 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 53 12.517 23.892 -2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.566 26.245 -2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.448 25.518 -1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.413 24.608 -0.055 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.519 25.367 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.459 26.919 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.515 28.187 1.024 1.00 0.00 H new ATOM 636 N GLU A 54 9.867 22.634 -1.578 1.00 0.00 N ATOM 637 CA GLU A 54 9.400 21.602 -0.648 1.00 0.00 C ATOM 638 C GLU A 54 9.892 20.210 -1.030 1.00 0.00 C ATOM 639 O GLU A 54 10.489 19.503 -0.213 1.00 0.00 O ATOM 640 CB GLU A 54 7.848 21.595 -0.609 1.00 0.00 C ATOM 641 CG GLU A 54 7.295 20.666 0.514 1.00 0.00 C ATOM 642 CD GLU A 54 7.678 21.184 1.905 1.00 0.00 C ATOM 643 OE1 GLU A 54 7.794 22.395 2.060 1.00 0.00 O ATOM 644 OE2 GLU A 54 7.841 20.370 2.795 1.00 0.00 O ATOM 0 H GLU A 54 9.127 23.098 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 54 9.809 21.845 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.485 22.610 -0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.463 21.266 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.210 20.601 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.685 19.657 0.379 1.00 0.00 H new ATOM 651 N LEU A 55 9.598 19.813 -2.263 1.00 0.00 N ATOM 652 CA LEU A 55 9.960 18.484 -2.761 1.00 0.00 C ATOM 653 C LEU A 55 11.433 18.387 -3.100 1.00 0.00 C ATOM 654 O LEU A 55 12.001 17.299 -3.055 1.00 0.00 O ATOM 655 CB LEU A 55 9.137 18.130 -4.040 1.00 0.00 C ATOM 656 CG LEU A 55 7.747 17.502 -3.697 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.837 18.532 -2.980 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.088 16.976 -4.996 1.00 0.00 C ATOM 0 H LEU A 55 9.107 20.394 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 55 9.734 17.781 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.989 19.031 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.707 17.433 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 55 7.889 16.666 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.876 18.071 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.313 18.856 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.681 19.394 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.118 16.537 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.953 17.801 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.729 16.219 -5.448 1.00 0.00 H new ATOM 670 N LYS A 56 12.049 19.496 -3.471 1.00 0.00 N ATOM 671 CA LYS A 56 13.451 19.461 -3.870 1.00 0.00 C ATOM 672 C LYS A 56 14.365 18.869 -2.792 1.00 0.00 C ATOM 673 O LYS A 56 15.246 18.052 -3.101 1.00 0.00 O ATOM 674 CB LYS A 56 13.933 20.881 -4.238 1.00 0.00 C ATOM 675 CG LYS A 56 15.409 20.870 -4.722 1.00 0.00 C ATOM 676 CD LYS A 56 15.869 22.300 -5.100 1.00 0.00 C ATOM 677 CE LYS A 56 17.329 22.258 -5.590 1.00 0.00 C ATOM 678 NZ LYS A 56 17.395 21.361 -6.777 1.00 0.00 N ATOM 0 H LYS A 56 11.613 20.418 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 56 13.513 18.806 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.295 21.292 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.837 21.535 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.052 20.471 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.510 20.210 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.224 22.707 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.783 22.961 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.672 23.259 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.985 21.892 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.036 21.770 -7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.750 20.427 -6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.445 21.258 -7.187 1.00 0.00 H new ATOM 692 N CYS A 57 14.185 19.302 -1.552 1.00 0.00 N ATOM 693 CA CYS A 57 15.022 18.840 -0.445 1.00 0.00 C ATOM 694 C CYS A 57 14.857 17.336 -0.200 1.00 0.00 C ATOM 695 O CYS A 57 15.540 16.772 0.655 1.00 0.00 O ATOM 696 CB CYS A 57 14.649 19.638 0.815 1.00 0.00 C ATOM 697 SG CYS A 57 14.925 21.403 0.514 1.00 0.00 S ATOM 0 H CYS A 57 13.466 19.974 -1.283 1.00 0.00 H new ATOM 0 HA CYS A 57 16.069 19.006 -0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.605 19.461 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.249 19.304 1.661 1.00 0.00 H new ATOM 0 HG CYS A 57 13.900 21.902 -0.111 1.00 0.00 H new ATOM 703 N ARG A 58 13.940 16.699 -0.946 1.00 0.00 N ATOM 704 CA ARG A 58 13.655 15.255 -0.808 1.00 0.00 C ATOM 705 C ARG A 58 14.450 14.444 -1.831 1.00 0.00 C ATOM 706 O ARG A 58 14.206 13.252 -2.004 1.00 0.00 O ATOM 707 CB ARG A 58 12.122 15.015 -0.979 1.00 0.00 C ATOM 708 CG ARG A 58 11.296 16.040 -0.124 1.00 0.00 C ATOM 709 CD ARG A 58 11.676 15.968 1.382 1.00 0.00 C ATOM 710 NE ARG A 58 11.740 14.569 1.815 1.00 0.00 N ATOM 711 CZ ARG A 58 12.092 14.210 3.053 1.00 0.00 C ATOM 712 NH1 ARG A 58 12.423 15.111 3.942 1.00 0.00 N ATOM 713 NH2 ARG A 58 12.117 12.942 3.368 1.00 0.00 N ATOM 0 H ARG A 58 13.377 17.164 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 58 13.961 14.922 0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.850 15.110 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.873 13.998 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.471 17.049 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.231 15.838 -0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.638 16.453 1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.941 16.509 1.978 1.00 0.00 H new ATOM 0 HE ARG A 58 11.506 13.839 1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.414 16.100 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.690 14.824 4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.869 12.239 2.672 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.384 12.656 4.310 1.00 0.00 H new ATOM 727 N GLY A 59 15.403 15.101 -2.505 1.00 0.00 N ATOM 728 CA GLY A 59 16.254 14.449 -3.515 1.00 0.00 C ATOM 729 C GLY A 59 15.657 14.589 -4.913 1.00 0.00 C ATOM 730 O GLY A 59 16.257 14.149 -5.892 1.00 0.00 O ATOM 0 H GLY A 59 15.607 16.091 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.250 14.892 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.370 13.393 -3.270 1.00 0.00 H new ATOM 734 N HIS A 60 14.472 15.213 -5.000 1.00 0.00 N ATOM 735 CA HIS A 60 13.796 15.422 -6.293 1.00 0.00 C ATOM 736 C HIS A 60 14.396 16.648 -6.989 1.00 0.00 C ATOM 737 O HIS A 60 14.705 17.642 -6.345 1.00 0.00 O ATOM 738 CB HIS A 60 12.275 15.639 -6.061 1.00 0.00 C ATOM 739 CG HIS A 60 11.685 14.426 -5.391 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.326 13.773 -4.352 1.00 0.00 N ATOM 741 CD2 HIS A 60 10.523 13.725 -5.615 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.559 12.729 -3.992 1.00 0.00 C ATOM 743 NE2 HIS A 60 10.447 12.654 -4.729 1.00 0.00 N ATOM 0 H HIS A 60 13.963 15.580 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 60 13.938 14.544 -6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.114 16.522 -5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 60 11.775 15.820 -7.012 1.00 0.00 H new ATOM 0 HD2 HIS A 60 9.783 13.968 -6.363 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.811 12.036 -3.203 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.702 11.961 -4.658 1.00 0.00 H new ATOM 751 N ALA A 61 14.566 16.565 -8.312 1.00 0.00 N ATOM 752 CA ALA A 61 15.123 17.674 -9.108 1.00 0.00 C ATOM 753 C ALA A 61 13.977 18.512 -9.663 1.00 0.00 C ATOM 754 O ALA A 61 12.835 18.044 -9.732 1.00 0.00 O ATOM 755 CB ALA A 61 15.971 17.102 -10.262 1.00 0.00 C ATOM 0 H ALA A 61 14.326 15.739 -8.861 1.00 0.00 H new ATOM 0 HA ALA A 61 15.757 18.301 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.383 17.921 -10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.785 16.503 -9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.345 16.477 -10.898 1.00 0.00 H new ATOM 761 N ASP A 62 14.286 19.752 -10.052 1.00 0.00 N ATOM 762 CA ASP A 62 13.282 20.659 -10.605 1.00 0.00 C ATOM 763 C ASP A 62 12.785 20.139 -11.967 1.00 0.00 C ATOM 764 O ASP A 62 11.654 20.379 -12.360 1.00 0.00 O ATOM 765 CB ASP A 62 13.875 22.077 -10.759 1.00 0.00 C ATOM 766 CG ASP A 62 15.147 22.014 -11.604 1.00 0.00 C ATOM 767 OD1 ASP A 62 16.118 21.447 -11.130 1.00 0.00 O ATOM 768 OD2 ASP A 62 15.132 22.526 -12.714 1.00 0.00 O ATOM 0 H ASP A 62 15.224 20.149 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 62 12.436 20.704 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.146 22.737 -11.230 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.099 22.497 -9.778 1.00 0.00 H new ATOM 773 N ALA A 63 13.671 19.444 -12.680 1.00 0.00 N ATOM 774 CA ALA A 63 13.355 18.896 -14.014 1.00 0.00 C ATOM 775 C ALA A 63 12.275 17.811 -13.928 1.00 0.00 C ATOM 776 O ALA A 63 11.344 17.784 -14.738 1.00 0.00 O ATOM 777 CB ALA A 63 14.634 18.307 -14.652 1.00 0.00 C ATOM 0 H ALA A 63 14.619 19.243 -12.361 1.00 0.00 H new ATOM 0 HA ALA A 63 12.974 19.708 -14.633 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.397 17.903 -15.636 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.385 19.091 -14.752 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.023 17.511 -14.018 1.00 0.00 H new ATOM 783 N ASP A 64 12.423 16.903 -12.951 1.00 0.00 N ATOM 784 CA ASP A 64 11.476 15.795 -12.764 1.00 0.00 C ATOM 785 C ASP A 64 10.044 16.312 -12.587 1.00 0.00 C ATOM 786 O ASP A 64 9.070 15.568 -12.811 1.00 0.00 O ATOM 787 CB ASP A 64 11.887 14.953 -11.525 1.00 0.00 C ATOM 788 CG ASP A 64 10.991 13.709 -11.379 1.00 0.00 C ATOM 789 OD1 ASP A 64 11.048 12.862 -12.253 1.00 0.00 O ATOM 790 OD2 ASP A 64 10.260 13.629 -10.402 1.00 0.00 O ATOM 0 H ASP A 64 13.190 16.915 -12.279 1.00 0.00 H new ATOM 0 HA ASP A 64 11.505 15.171 -13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.929 14.646 -11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.815 15.565 -10.626 1.00 0.00 H new ATOM 795 N ILE A 65 9.918 17.584 -12.165 1.00 0.00 N ATOM 796 CA ILE A 65 8.605 18.192 -11.938 1.00 0.00 C ATOM 797 C ILE A 65 7.707 18.045 -13.171 1.00 0.00 C ATOM 798 O ILE A 65 6.493 17.965 -13.040 1.00 0.00 O ATOM 799 CB ILE A 65 8.732 19.712 -11.568 1.00 0.00 C ATOM 800 CG1 ILE A 65 9.504 19.847 -10.209 1.00 0.00 C ATOM 801 CG2 ILE A 65 7.312 20.379 -11.455 1.00 0.00 C ATOM 802 CD1 ILE A 65 9.777 21.319 -9.846 1.00 0.00 C ATOM 0 H ILE A 65 10.707 18.202 -11.977 1.00 0.00 H new ATOM 0 HA ILE A 65 8.152 17.662 -11.100 1.00 0.00 H new ATOM 0 HB ILE A 65 9.283 20.226 -12.356 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.924 19.379 -9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.449 19.308 -10.273 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.424 21.432 -11.198 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.792 20.292 -12.409 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.734 19.876 -10.680 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.313 21.367 -8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.380 21.781 -10.628 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.831 21.853 -9.755 1.00 0.00 H new ATOM 814 N GLU A 66 8.314 18.032 -14.354 1.00 0.00 N ATOM 815 CA GLU A 66 7.566 17.935 -15.615 1.00 0.00 C ATOM 816 C GLU A 66 6.758 16.630 -15.707 1.00 0.00 C ATOM 817 O GLU A 66 5.613 16.641 -16.163 1.00 0.00 O ATOM 818 CB GLU A 66 8.567 18.015 -16.799 1.00 0.00 C ATOM 819 CG GLU A 66 9.307 19.381 -16.805 1.00 0.00 C ATOM 820 CD GLU A 66 10.313 19.438 -17.965 1.00 0.00 C ATOM 821 OE1 GLU A 66 10.992 18.446 -18.178 1.00 0.00 O ATOM 822 OE2 GLU A 66 10.389 20.468 -18.616 1.00 0.00 O ATOM 0 H GLU A 66 9.326 18.087 -14.472 1.00 0.00 H new ATOM 0 HA GLU A 66 6.856 18.761 -15.655 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.292 17.204 -16.724 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.035 17.881 -17.741 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.586 20.193 -16.900 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.826 19.525 -15.857 1.00 0.00 H new ATOM 829 N ALA A 67 7.378 15.518 -15.308 1.00 0.00 N ATOM 830 CA ALA A 67 6.736 14.197 -15.379 1.00 0.00 C ATOM 831 C ALA A 67 5.558 14.073 -14.402 1.00 0.00 C ATOM 832 O ALA A 67 4.447 13.706 -14.798 1.00 0.00 O ATOM 833 CB ALA A 67 7.787 13.110 -15.054 1.00 0.00 C ATOM 0 H ALA A 67 8.326 15.502 -14.931 1.00 0.00 H new ATOM 0 HA ALA A 67 6.343 14.068 -16.387 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.320 12.126 -15.104 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.601 13.163 -15.777 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.182 13.274 -14.051 1.00 0.00 H new ATOM 839 N VAL A 68 5.820 14.363 -13.125 1.00 0.00 N ATOM 840 CA VAL A 68 4.791 14.262 -12.071 1.00 0.00 C ATOM 841 C VAL A 68 3.633 15.223 -12.347 1.00 0.00 C ATOM 842 O VAL A 68 2.500 15.002 -11.894 1.00 0.00 O ATOM 843 CB VAL A 68 5.423 14.574 -10.674 1.00 0.00 C ATOM 844 CG1 VAL A 68 6.498 13.502 -10.323 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.087 15.976 -10.706 1.00 0.00 C ATOM 0 H VAL A 68 6.733 14.670 -12.790 1.00 0.00 H new ATOM 0 HA VAL A 68 4.400 13.244 -12.069 1.00 0.00 H new ATOM 0 HB VAL A 68 4.638 14.556 -9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.932 13.728 -9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.033 12.517 -10.294 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.282 13.511 -11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.527 16.193 -9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.866 15.992 -11.468 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.335 16.730 -10.940 1.00 0.00 H new ATOM 855 N PHE A 69 3.918 16.298 -13.092 1.00 0.00 N ATOM 856 CA PHE A 69 2.898 17.304 -13.415 1.00 0.00 C ATOM 857 C PHE A 69 1.725 16.664 -14.148 1.00 0.00 C ATOM 858 O PHE A 69 0.619 16.644 -13.648 1.00 0.00 O ATOM 859 CB PHE A 69 3.533 18.464 -14.290 1.00 0.00 C ATOM 860 CG PHE A 69 3.483 19.810 -13.538 1.00 0.00 C ATOM 861 CD1 PHE A 69 4.104 19.918 -12.284 1.00 0.00 C ATOM 862 CD2 PHE A 69 2.805 20.927 -14.068 1.00 0.00 C ATOM 863 CE1 PHE A 69 4.061 21.120 -11.569 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.761 22.126 -13.351 1.00 0.00 C ATOM 865 CZ PHE A 69 3.390 22.226 -12.101 1.00 0.00 C ATOM 0 H PHE A 69 4.841 16.493 -13.481 1.00 0.00 H new ATOM 0 HA PHE A 69 2.525 17.732 -12.484 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.566 18.217 -14.534 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.994 18.550 -15.234 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.620 19.066 -11.867 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.319 20.856 -15.030 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.546 21.194 -10.607 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.241 22.979 -13.761 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.356 23.155 -11.551 1.00 0.00 H new ATOM 875 N ALA A 70 1.991 16.142 -15.332 1.00 0.00 N ATOM 876 CA ALA A 70 0.942 15.495 -16.157 1.00 0.00 C ATOM 877 C ALA A 70 0.116 14.489 -15.324 1.00 0.00 C ATOM 878 O ALA A 70 -0.999 14.108 -15.687 1.00 0.00 O ATOM 879 CB ALA A 70 1.605 14.768 -17.348 1.00 0.00 C ATOM 0 H ALA A 70 2.918 16.145 -15.758 1.00 0.00 H new ATOM 0 HA ALA A 70 0.264 16.267 -16.522 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.837 14.291 -17.957 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.153 15.489 -17.955 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.294 14.010 -16.974 1.00 0.00 H new ATOM 885 N LYS A 71 0.708 14.082 -14.205 1.00 0.00 N ATOM 886 CA LYS A 71 0.097 13.109 -13.281 1.00 0.00 C ATOM 887 C LYS A 71 -0.937 13.780 -12.346 1.00 0.00 C ATOM 888 O LYS A 71 -1.968 13.184 -12.032 1.00 0.00 O ATOM 889 CB LYS A 71 1.230 12.415 -12.418 1.00 0.00 C ATOM 890 CG LYS A 71 1.037 10.870 -12.305 1.00 0.00 C ATOM 891 CD LYS A 71 -0.297 10.518 -11.579 1.00 0.00 C ATOM 892 CE LYS A 71 -0.457 8.988 -11.480 1.00 0.00 C ATOM 893 NZ LYS A 71 0.670 8.457 -10.684 1.00 0.00 N ATOM 0 H LYS A 71 1.625 14.413 -13.906 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.428 12.362 -13.876 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.202 12.624 -12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.239 12.850 -11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.039 10.427 -13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.875 10.435 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.305 10.958 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.140 10.945 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.407 8.735 -11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.464 8.541 -12.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.410 7.530 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.506 8.352 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.888 9.115 -9.908 1.00 0.00 H new ATOM 907 N TYR A 72 -0.653 15.018 -11.903 1.00 0.00 N ATOM 908 CA TYR A 72 -1.558 15.767 -10.974 1.00 0.00 C ATOM 909 C TYR A 72 -2.138 17.017 -11.621 1.00 0.00 C ATOM 910 O TYR A 72 -3.190 17.504 -11.202 1.00 0.00 O ATOM 911 CB TYR A 72 -0.747 16.166 -9.714 1.00 0.00 C ATOM 912 CG TYR A 72 -0.181 14.898 -9.051 1.00 0.00 C ATOM 913 CD1 TYR A 72 -1.064 13.974 -8.453 1.00 0.00 C ATOM 914 CD2 TYR A 72 1.210 14.629 -9.035 1.00 0.00 C ATOM 915 CE1 TYR A 72 -0.569 12.810 -7.855 1.00 0.00 C ATOM 916 CE2 TYR A 72 1.695 13.464 -8.430 1.00 0.00 C ATOM 917 CZ TYR A 72 0.811 12.558 -7.844 1.00 0.00 C ATOM 918 OH TYR A 72 1.306 11.413 -7.251 1.00 0.00 O ATOM 0 H TYR A 72 0.189 15.530 -12.165 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.395 15.119 -10.713 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.065 16.840 -9.988 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.385 16.704 -9.012 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.127 14.166 -8.457 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.898 15.325 -9.491 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.250 12.105 -7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.757 13.266 -8.417 1.00 0.00 H new ATOM 0 HH TYR A 72 2.282 11.397 -7.335 1.00 0.00 H new ATOM 928 N ASP A 73 -1.448 17.530 -12.630 1.00 0.00 N ATOM 929 CA ASP A 73 -1.858 18.732 -13.352 1.00 0.00 C ATOM 930 C ASP A 73 -2.643 18.372 -14.604 1.00 0.00 C ATOM 931 O ASP A 73 -2.209 17.557 -15.418 1.00 0.00 O ATOM 932 CB ASP A 73 -0.606 19.547 -13.729 1.00 0.00 C ATOM 933 CG ASP A 73 0.199 19.926 -12.481 1.00 0.00 C ATOM 934 OD1 ASP A 73 0.583 19.034 -11.750 1.00 0.00 O ATOM 935 OD2 ASP A 73 0.421 21.109 -12.272 1.00 0.00 O ATOM 0 H ASP A 73 -0.580 17.122 -12.976 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.506 19.327 -12.708 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.020 18.967 -14.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.903 20.450 -14.263 1.00 0.00 H new ATOM 940 N VAL A 74 -3.807 19.002 -14.734 1.00 0.00 N ATOM 941 CA VAL A 74 -4.695 18.787 -15.864 1.00 0.00 C ATOM 942 C VAL A 74 -4.132 19.466 -17.124 1.00 0.00 C ATOM 943 O VAL A 74 -3.853 18.786 -18.119 1.00 0.00 O ATOM 944 CB VAL A 74 -6.122 19.347 -15.504 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.713 18.530 -14.311 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.076 20.882 -15.116 1.00 0.00 C ATOM 0 H VAL A 74 -4.159 19.677 -14.055 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.775 17.721 -16.075 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.753 19.245 -16.387 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.701 18.916 -14.060 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.794 17.480 -14.594 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.057 18.623 -13.446 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.082 21.227 -14.875 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.428 21.019 -14.250 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.686 21.458 -15.955 1.00 0.00 H new ATOM 956 N ASP A 75 -3.959 20.803 -17.073 1.00 0.00 N ATOM 957 CA ASP A 75 -3.429 21.616 -18.190 1.00 0.00 C ATOM 958 C ASP A 75 -2.100 22.283 -17.810 1.00 0.00 C ATOM 959 O ASP A 75 -1.689 23.251 -18.450 1.00 0.00 O ATOM 960 CB ASP A 75 -4.492 22.686 -18.555 1.00 0.00 C ATOM 961 CG ASP A 75 -4.806 23.596 -17.359 1.00 0.00 C ATOM 962 OD1 ASP A 75 -4.357 23.300 -16.259 1.00 0.00 O ATOM 963 OD2 ASP A 75 -5.496 24.579 -17.564 1.00 0.00 O ATOM 0 H ASP A 75 -4.186 21.356 -16.246 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.231 20.973 -19.048 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.132 23.289 -19.388 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.405 22.194 -18.889 1.00 0.00 H new ATOM 968 N GLY A 76 -1.443 21.776 -16.767 1.00 0.00 N ATOM 969 CA GLY A 76 -0.163 22.363 -16.317 1.00 0.00 C ATOM 970 C GLY A 76 -0.313 23.855 -16.048 1.00 0.00 C ATOM 971 O GLY A 76 0.591 24.637 -16.326 1.00 0.00 O ATOM 0 H GLY A 76 -1.761 20.975 -16.221 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.175 21.858 -15.412 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.602 22.202 -17.076 1.00 0.00 H new ATOM 975 N ASP A 77 -1.478 24.245 -15.513 1.00 0.00 N ATOM 976 CA ASP A 77 -1.765 25.655 -15.203 1.00 0.00 C ATOM 977 C ASP A 77 -0.926 26.116 -14.000 1.00 0.00 C ATOM 978 O ASP A 77 -1.065 27.249 -13.538 1.00 0.00 O ATOM 979 CB ASP A 77 -3.296 25.821 -14.936 1.00 0.00 C ATOM 980 CG ASP A 77 -3.803 24.771 -13.931 1.00 0.00 C ATOM 981 OD1 ASP A 77 -2.999 24.262 -13.161 1.00 0.00 O ATOM 982 OD2 ASP A 77 -4.988 24.482 -13.960 1.00 0.00 O ATOM 0 H ASP A 77 -2.238 23.604 -15.285 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.493 26.284 -16.050 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.494 26.822 -14.552 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.844 25.725 -15.873 1.00 0.00 H new ATOM 987 N ARG A 78 -0.031 25.233 -13.520 1.00 0.00 N ATOM 988 CA ARG A 78 0.871 25.543 -12.395 1.00 0.00 C ATOM 989 C ARG A 78 0.115 26.082 -11.175 1.00 0.00 C ATOM 990 O ARG A 78 0.706 26.749 -10.324 1.00 0.00 O ATOM 991 CB ARG A 78 1.939 26.575 -12.860 1.00 0.00 C ATOM 992 CG ARG A 78 2.855 25.960 -13.955 1.00 0.00 C ATOM 993 CD ARG A 78 3.864 27.002 -14.478 1.00 0.00 C ATOM 994 NE ARG A 78 4.704 26.380 -15.511 1.00 0.00 N ATOM 995 CZ ARG A 78 4.257 26.134 -16.754 1.00 0.00 C ATOM 996 NH1 ARG A 78 3.027 26.427 -17.097 1.00 0.00 N ATOM 997 NH2 ARG A 78 5.055 25.584 -17.628 1.00 0.00 N ATOM 0 H ARG A 78 0.087 24.293 -13.897 1.00 0.00 H new ATOM 0 HA ARG A 78 1.354 24.615 -12.088 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.446 27.466 -13.249 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.542 26.890 -12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.390 25.102 -13.547 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.245 25.592 -14.780 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.337 27.863 -14.890 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.484 27.369 -13.660 1.00 0.00 H new ATOM 0 HE ARG A 78 5.663 26.125 -15.275 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.394 26.848 -16.417 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.702 26.234 -18.044 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.011 25.344 -17.366 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.723 25.394 -18.574 1.00 0.00 H new ATOM 1011 N VAL A 79 -1.184 25.768 -11.087 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.024 26.201 -9.953 1.00 0.00 C ATOM 1013 C VAL A 79 -3.061 25.115 -9.675 1.00 0.00 C ATOM 1014 O VAL A 79 -3.850 24.763 -10.554 1.00 0.00 O ATOM 1015 CB VAL A 79 -2.711 27.566 -10.286 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -3.748 27.416 -11.453 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -3.409 28.138 -9.016 1.00 0.00 C ATOM 0 H VAL A 79 -1.680 25.215 -11.786 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.412 26.348 -9.063 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.937 28.260 -10.614 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.207 28.383 -11.659 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.239 27.058 -12.348 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.520 26.702 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.884 29.088 -9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.164 27.433 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.668 28.293 -8.232 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.022 24.558 -8.458 1.00 0.00 N ATOM 1028 CA LEU A 80 -3.919 23.467 -8.060 1.00 0.00 C ATOM 1029 C LEU A 80 -4.408 23.636 -6.626 1.00 0.00 C ATOM 1030 O LEU A 80 -3.723 23.241 -5.683 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.160 22.105 -8.177 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.488 21.916 -9.597 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.010 22.452 -9.604 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -2.515 20.416 -9.998 1.00 0.00 C ATOM 0 H LEU A 80 -2.373 24.848 -7.727 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.784 23.486 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.394 22.050 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.856 21.286 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.058 22.495 -10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.575 22.308 -10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.007 23.514 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.422 21.906 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.051 20.293 -10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.966 19.832 -9.260 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.547 20.069 -10.040 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.609 24.192 -6.460 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.205 24.362 -5.136 1.00 0.00 C ATOM 1048 C ASP A 81 -6.997 23.095 -4.829 1.00 0.00 C ATOM 1049 O ASP A 81 -6.896 22.106 -5.559 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.130 25.612 -5.150 1.00 0.00 C ATOM 1051 CG ASP A 81 -7.417 26.098 -3.723 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -6.637 26.882 -3.230 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -8.401 25.660 -3.152 1.00 0.00 O ATOM 0 H ASP A 81 -6.188 24.532 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.446 24.516 -4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.659 26.411 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.067 25.370 -5.651 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.815 23.141 -3.774 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.671 22.012 -3.383 1.00 0.00 C ATOM 1060 C ALA A 82 -9.443 21.424 -4.596 1.00 0.00 C ATOM 1061 O ALA A 82 -9.950 20.312 -4.539 1.00 0.00 O ATOM 1062 CB ALA A 82 -9.669 22.508 -2.321 1.00 0.00 C ATOM 0 H ALA A 82 -7.904 23.957 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.042 21.216 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.315 21.685 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.123 22.881 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.277 23.310 -2.739 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.510 22.203 -5.684 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.237 21.764 -6.893 1.00 0.00 C ATOM 1070 C GLU A 83 -9.538 20.560 -7.554 1.00 0.00 C ATOM 1071 O GLU A 83 -10.105 19.463 -7.608 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.288 22.963 -7.898 1.00 0.00 C ATOM 1073 CG GLU A 83 -11.364 24.012 -7.485 1.00 0.00 C ATOM 1074 CD GLU A 83 -11.085 24.566 -6.083 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.419 23.883 -5.130 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -10.558 25.662 -5.987 1.00 0.00 O ATOM 0 H GLU A 83 -9.080 23.125 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.244 21.453 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.310 23.442 -7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.507 22.591 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.376 24.829 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.352 23.552 -7.508 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.301 20.756 -8.019 1.00 0.00 N ATOM 1084 CA GLU A 84 -7.499 19.679 -8.637 1.00 0.00 C ATOM 1085 C GLU A 84 -6.713 18.902 -7.575 1.00 0.00 C ATOM 1086 O GLU A 84 -6.345 17.747 -7.779 1.00 0.00 O ATOM 1087 CB GLU A 84 -6.532 20.284 -9.679 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.320 21.010 -10.802 1.00 0.00 C ATOM 1089 CD GLU A 84 -6.360 21.615 -11.835 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -5.266 21.090 -11.994 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -6.743 22.585 -12.463 1.00 0.00 O ATOM 0 H GLU A 84 -7.824 21.657 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.176 18.983 -9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.856 20.986 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.916 19.496 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.994 20.308 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.939 21.796 -10.369 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.445 19.560 -6.435 1.00 0.00 N ATOM 1099 CA GLN A 85 -5.669 18.936 -5.348 1.00 0.00 C ATOM 1100 C GLN A 85 -6.435 17.749 -4.773 1.00 0.00 C ATOM 1101 O GLN A 85 -5.837 16.722 -4.458 1.00 0.00 O ATOM 1102 CB GLN A 85 -5.347 19.967 -4.244 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.367 19.379 -3.185 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.070 20.414 -2.101 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -3.038 21.198 -2.233 1.00 0.00 O flip ATOM 1106 NE2 GLN A 85 -4.810 20.521 -1.124 1.00 0.00 N flip ATOM 0 H GLN A 85 -6.750 20.514 -6.242 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.725 18.576 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.908 20.858 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.270 20.278 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.801 18.486 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.439 19.073 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.617 19.905 -1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.617 21.226 -0.413 1.00 0.00 H new ATOM 1115 N MET A 86 -7.764 17.898 -4.617 1.00 0.00 N ATOM 1116 CA MET A 86 -8.592 16.815 -4.062 1.00 0.00 C ATOM 1117 C MET A 86 -8.243 15.487 -4.745 1.00 0.00 C ATOM 1118 O MET A 86 -8.155 14.443 -4.093 1.00 0.00 O ATOM 1119 CB MET A 86 -10.099 17.134 -4.257 1.00 0.00 C ATOM 1120 CG MET A 86 -10.992 16.039 -3.622 1.00 0.00 C ATOM 1121 SD MET A 86 -12.731 16.495 -3.790 1.00 0.00 S ATOM 1122 CE MET A 86 -13.386 15.079 -2.883 1.00 0.00 C ATOM 0 H MET A 86 -8.279 18.743 -4.863 1.00 0.00 H new ATOM 0 HA MET A 86 -8.389 16.730 -2.994 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.330 18.100 -3.808 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.321 17.216 -5.321 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.809 15.081 -4.108 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.739 15.916 -2.569 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.474 15.139 -2.851 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.088 14.157 -3.383 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.992 15.084 -1.867 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.048 15.556 -6.066 1.00 0.00 N ATOM 1133 CA LYS A 87 -7.708 14.372 -6.852 1.00 0.00 C ATOM 1134 C LYS A 87 -6.374 13.788 -6.391 1.00 0.00 C ATOM 1135 O LYS A 87 -6.191 12.569 -6.402 1.00 0.00 O ATOM 1136 CB LYS A 87 -7.599 14.744 -8.357 1.00 0.00 C ATOM 1137 CG LYS A 87 -7.371 13.469 -9.221 1.00 0.00 C ATOM 1138 CD LYS A 87 -7.272 13.830 -10.723 1.00 0.00 C ATOM 1139 CE LYS A 87 -7.034 12.552 -11.559 1.00 0.00 C ATOM 1140 NZ LYS A 87 -6.962 12.921 -12.992 1.00 0.00 N ATOM 0 H LYS A 87 -8.120 16.417 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.496 13.632 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.509 15.250 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.776 15.443 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.457 12.968 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.191 12.768 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.189 14.322 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.457 14.536 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.109 12.065 -11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.841 11.838 -11.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.802 12.067 -13.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.856 13.368 -13.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.178 13.588 -13.140 1.00 0.00 H new ATOM 1154 N MET A 88 -5.435 14.665 -6.010 1.00 0.00 N ATOM 1155 CA MET A 88 -4.106 14.221 -5.578 1.00 0.00 C ATOM 1156 C MET A 88 -4.228 13.309 -4.358 1.00 0.00 C ATOM 1157 O MET A 88 -3.881 12.129 -4.418 1.00 0.00 O ATOM 1158 CB MET A 88 -3.204 15.448 -5.240 1.00 0.00 C ATOM 1159 CG MET A 88 -1.767 14.998 -4.885 1.00 0.00 C ATOM 1160 SD MET A 88 -0.736 16.444 -4.533 1.00 0.00 S ATOM 1161 CE MET A 88 0.671 15.537 -3.836 1.00 0.00 C ATOM 0 H MET A 88 -5.570 15.676 -5.993 1.00 0.00 H new ATOM 0 HA MET A 88 -3.644 13.664 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.176 16.129 -6.091 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.633 16.000 -4.404 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.788 14.336 -4.019 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.340 14.429 -5.711 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.448 16.242 -3.542 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.344 14.972 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.068 14.851 -4.584 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.752 13.863 -3.261 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.922 13.094 -2.021 1.00 0.00 C ATOM 1173 C ALA A 89 -5.643 11.763 -2.288 1.00 0.00 C ATOM 1174 O ALA A 89 -5.247 10.728 -1.773 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.718 13.933 -0.995 1.00 0.00 C ATOM 0 H ALA A 89 -5.064 14.832 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.935 12.866 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.843 13.361 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.176 14.853 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.697 14.177 -1.406 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.687 11.811 -3.116 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.456 10.609 -3.459 1.00 0.00 C ATOM 1183 C HIS A 90 -6.589 9.575 -4.210 1.00 0.00 C ATOM 1184 O HIS A 90 -6.669 8.376 -3.926 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.674 11.011 -4.336 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.542 9.802 -4.609 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.717 9.284 -5.882 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.231 8.972 -3.765 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.483 8.182 -5.767 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -10.823 7.949 -4.495 1.00 0.00 N ATOM 0 H HIS A 90 -7.021 12.666 -3.562 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.798 10.146 -2.533 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.258 11.780 -3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.329 11.440 -5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.303 9.094 -2.694 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.785 7.563 -6.599 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.395 7.184 -4.137 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.794 10.046 -5.178 1.00 0.00 N ATOM 1199 CA ASP A 91 -4.949 9.163 -5.993 1.00 0.00 C ATOM 1200 C ASP A 91 -3.872 8.489 -5.140 1.00 0.00 C ATOM 1201 O ASP A 91 -3.589 7.300 -5.304 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.288 9.986 -7.128 1.00 0.00 C ATOM 1203 CG ASP A 91 -3.469 9.075 -8.058 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -4.077 8.259 -8.732 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -2.253 9.201 -8.075 1.00 0.00 O ATOM 0 H ASP A 91 -5.718 11.035 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.576 8.382 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.056 10.504 -7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.641 10.751 -6.699 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.270 9.267 -4.237 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.202 8.760 -3.355 1.00 0.00 C ATOM 1212 C LEU A 92 -2.735 7.681 -2.411 1.00 0.00 C ATOM 1213 O LEU A 92 -2.041 6.694 -2.138 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.554 9.942 -2.542 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.351 10.597 -3.309 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -0.806 11.225 -4.642 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.329 11.668 -2.415 1.00 0.00 C ATOM 0 H LEU A 92 -3.500 10.250 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.432 8.307 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.311 10.700 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.209 9.571 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 92 0.369 9.812 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.052 11.669 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.241 10.454 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.551 11.996 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.162 12.117 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.395 12.441 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.698 11.199 -1.503 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.957 7.869 -1.914 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.576 6.903 -0.996 1.00 0.00 C ATOM 1231 C GLU A 93 -4.810 5.564 -1.700 1.00 0.00 C ATOM 1232 O GLU A 93 -4.551 4.506 -1.121 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.927 7.492 -0.486 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.689 8.622 0.564 1.00 0.00 C ATOM 1235 CD GLU A 93 -7.008 9.313 0.953 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -8.063 8.846 0.542 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -6.937 10.304 1.656 1.00 0.00 O ATOM 0 H GLU A 93 -4.540 8.678 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.910 6.724 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.495 7.888 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.528 6.699 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.221 8.201 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.996 9.359 0.157 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.297 5.612 -2.946 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.562 4.395 -3.721 1.00 0.00 C ATOM 1246 C GLY A 94 -4.267 3.649 -4.027 1.00 0.00 C ATOM 1247 O GLY A 94 -4.228 2.419 -4.010 1.00 0.00 O ATOM 0 H GLY A 94 -5.515 6.479 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.237 3.745 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.065 4.655 -4.652 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.203 4.415 -4.315 1.00 0.00 N ATOM 1252 CA GLN A 95 -1.885 3.834 -4.640 1.00 0.00 C ATOM 1253 C GLN A 95 -1.333 3.082 -3.438 1.00 0.00 C ATOM 1254 O GLN A 95 -0.784 1.992 -3.589 1.00 0.00 O ATOM 1255 CB GLN A 95 -0.866 4.964 -5.072 1.00 0.00 C ATOM 1256 CG GLN A 95 -0.778 5.101 -6.621 1.00 0.00 C ATOM 1257 CD GLN A 95 -2.138 5.503 -7.201 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -3.156 4.878 -6.898 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -2.219 6.514 -8.011 1.00 0.00 N ATOM 0 H GLN A 95 -3.226 5.435 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.014 3.141 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.174 5.916 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.121 4.736 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.029 5.847 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.454 4.156 -7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.378 7.034 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.123 6.789 -8.395 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.471 3.672 -2.248 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.961 3.047 -1.028 1.00 0.00 C ATOM 1270 C LYS A 96 -1.655 1.696 -0.787 1.00 0.00 C ATOM 1271 O LYS A 96 -0.994 0.684 -0.541 1.00 0.00 O ATOM 1272 CB LYS A 96 -1.197 3.994 0.181 1.00 0.00 C ATOM 1273 CG LYS A 96 -0.516 3.427 1.462 1.00 0.00 C ATOM 1274 CD LYS A 96 -0.731 4.373 2.669 1.00 0.00 C ATOM 1275 CE LYS A 96 -0.019 3.797 3.916 1.00 0.00 C ATOM 1276 NZ LYS A 96 -0.564 2.437 4.198 1.00 0.00 N ATOM 0 H LYS A 96 -1.927 4.573 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 96 0.108 2.869 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.798 4.984 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.267 4.113 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.924 2.442 1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.551 3.296 1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.340 5.364 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.797 4.489 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.056 3.744 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.174 4.451 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.627 2.294 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.511 2.349 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.065 1.719 3.787 1.00 0.00 H new ATOM 1290 N SER A 97 -2.992 1.702 -0.856 1.00 0.00 N ATOM 1291 CA SER A 97 -3.783 0.485 -0.640 1.00 0.00 C ATOM 1292 C SER A 97 -3.457 -0.570 -1.695 1.00 0.00 C ATOM 1293 O SER A 97 -3.285 -1.745 -1.375 1.00 0.00 O ATOM 1294 CB SER A 97 -5.285 0.834 -0.697 1.00 0.00 C ATOM 1295 OG SER A 97 -5.577 1.777 0.322 1.00 0.00 O ATOM 0 H SER A 97 -3.547 2.533 -1.059 1.00 0.00 H new ATOM 0 HA SER A 97 -3.536 0.077 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.540 1.244 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.886 -0.065 -0.562 1.00 0.00 H new ATOM 0 HG SER A 97 -5.299 2.670 0.031 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.369 -0.132 -2.956 1.00 0.00 N ATOM 1302 CA ASP A 98 -3.063 -1.034 -4.072 1.00 0.00 C ATOM 1303 C ASP A 98 -1.675 -1.646 -3.899 1.00 0.00 C ATOM 1304 O ASP A 98 -1.463 -2.815 -4.204 1.00 0.00 O ATOM 1305 CB ASP A 98 -3.118 -0.255 -5.415 1.00 0.00 C ATOM 1306 CG ASP A 98 -2.939 -1.211 -6.611 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -3.759 -2.102 -6.751 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -1.987 -1.038 -7.358 1.00 0.00 O ATOM 0 H ASP A 98 -3.505 0.841 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.805 -1.832 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.072 0.266 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.337 0.505 -5.432 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.738 -0.831 -3.402 1.00 0.00 N ATOM 1314 CA LEU A 99 0.642 -1.281 -3.194 1.00 0.00 C ATOM 1315 C LEU A 99 0.702 -2.399 -2.150 1.00 0.00 C ATOM 1316 O LEU A 99 1.438 -3.377 -2.316 1.00 0.00 O ATOM 1317 CB LEU A 99 1.544 -0.094 -2.735 1.00 0.00 C ATOM 1318 CG LEU A 99 3.088 -0.476 -2.830 1.00 0.00 C ATOM 1319 CD1 LEU A 99 3.661 -0.101 -4.227 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.905 0.224 -1.715 1.00 0.00 C ATOM 0 H LEU A 99 -0.909 0.139 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 99 1.011 -1.666 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.344 0.780 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.296 0.179 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 99 3.173 -1.554 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.716 -0.370 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.116 -0.641 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.553 0.971 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.955 -0.055 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.807 1.305 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.529 -0.085 -0.740 1.00 0.00 H new ATOM 1332 N ASN A 100 -0.041 -2.212 -1.056 1.00 0.00 N ATOM 1333 CA ASN A 100 -0.046 -3.173 0.052 1.00 0.00 C ATOM 1334 C ASN A 100 -0.307 -4.598 -0.462 1.00 0.00 C ATOM 1335 O ASN A 100 0.277 -5.569 0.023 1.00 0.00 O ATOM 1336 CB ASN A 100 -1.122 -2.770 1.094 1.00 0.00 C ATOM 1337 CG ASN A 100 -0.903 -1.333 1.588 1.00 0.00 C ATOM 1338 OD1 ASN A 100 0.286 -0.791 1.534 1.00 0.00 O flip ATOM 1339 ND2 ASN A 100 -1.848 -0.688 2.041 1.00 0.00 N flip ATOM 0 H ASN A 100 -0.647 -1.404 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 100 0.934 -3.159 0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.114 -2.858 0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.089 -3.457 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.777 -1.107 2.085 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.702 0.266 2.373 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.185 -4.693 -1.462 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.540 -5.975 -2.086 1.00 0.00 C ATOM 1348 C ASN A 101 -0.407 -6.474 -2.987 1.00 0.00 C ATOM 1349 O ASN A 101 -0.034 -7.649 -2.930 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.817 -5.783 -2.930 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.983 -5.388 -2.033 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -4.813 -6.225 -1.684 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.083 -4.157 -1.628 1.00 0.00 N ATOM 0 H ASN A 101 -1.669 -3.890 -1.863 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.709 -6.714 -1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.651 -5.014 -3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.053 -6.705 -3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.853 -3.882 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.392 -3.466 -1.920 1.00 0.00 H new ATOM 1360 N GLN A 102 0.125 -5.578 -3.837 1.00 0.00 N ATOM 1361 CA GLN A 102 1.200 -5.946 -4.778 1.00 0.00 C ATOM 1362 C GLN A 102 2.342 -6.633 -4.048 1.00 0.00 C ATOM 1363 O GLN A 102 2.831 -7.675 -4.499 1.00 0.00 O ATOM 1364 CB GLN A 102 1.750 -4.685 -5.510 1.00 0.00 C ATOM 1365 CG GLN A 102 0.713 -4.137 -6.528 1.00 0.00 C ATOM 1366 CD GLN A 102 1.254 -2.889 -7.235 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.510 -1.870 -6.591 1.00 0.00 O ATOM 1368 NE2 GLN A 102 1.452 -2.914 -8.524 1.00 0.00 N ATOM 0 H GLN A 102 -0.168 -4.603 -3.893 1.00 0.00 H new ATOM 0 HA GLN A 102 0.775 -6.632 -5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.992 -3.913 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.676 -4.935 -6.028 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.478 -4.905 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -0.217 -3.895 -6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.240 -3.758 -9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.819 -2.090 -9.000 1.00 0.00 H new ATOM 1377 N LEU A 103 2.748 -6.056 -2.915 1.00 0.00 N ATOM 1378 CA LEU A 103 3.832 -6.629 -2.118 1.00 0.00 C ATOM 1379 C LEU A 103 3.963 -5.886 -0.792 1.00 0.00 C ATOM 1380 O LEU A 103 5.030 -5.323 -0.543 1.00 0.00 O ATOM 1381 CB LEU A 103 5.195 -6.526 -2.917 1.00 0.00 C ATOM 1382 CG LEU A 103 6.338 -7.386 -2.242 1.00 0.00 C ATOM 1383 CD1 LEU A 103 6.198 -8.886 -2.630 1.00 0.00 C ATOM 1384 CD2 LEU A 103 7.737 -6.858 -2.667 1.00 0.00 C ATOM 0 H LEU A 103 2.346 -5.200 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 103 3.604 -7.676 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.042 -6.865 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.508 -5.483 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 103 6.239 -7.294 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.994 -9.460 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.231 -9.260 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.271 -8.990 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.512 -7.461 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.837 -6.924 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.844 -5.819 -2.355 1.00 0.00 H new ATOM 1396 N ALA A 104 2.925 -5.939 0.097 1.00 0.00 N ATOM 1397 CA ALA A 104 2.979 -5.278 1.444 1.00 0.00 C ATOM 1398 C ALA A 104 3.993 -4.112 1.457 1.00 0.00 C ATOM 1399 O ALA A 104 4.198 -3.458 0.429 1.00 0.00 O ATOM 1400 CB ALA A 104 3.369 -6.354 2.485 1.00 0.00 C ATOM 0 H ALA A 104 2.049 -6.427 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 104 2.005 -4.852 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.416 -5.902 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.623 -7.149 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.343 -6.771 2.230 1.00 0.00 H new ATOM 1406 N GLU A 105 4.574 -3.813 2.596 1.00 0.00 N ATOM 1407 CA GLU A 105 5.547 -2.735 2.698 1.00 0.00 C ATOM 1408 C GLU A 105 6.221 -2.831 4.048 1.00 0.00 C ATOM 1409 O GLU A 105 7.126 -2.055 4.352 1.00 0.00 O ATOM 1410 CB GLU A 105 4.860 -1.355 2.521 1.00 0.00 C ATOM 1411 CG GLU A 105 3.658 -1.203 3.493 1.00 0.00 C ATOM 1412 CD GLU A 105 2.991 0.170 3.309 1.00 0.00 C ATOM 1413 OE1 GLU A 105 3.710 1.133 3.079 1.00 0.00 O ATOM 1414 OE2 GLU A 105 1.779 0.236 3.402 1.00 0.00 O ATOM 0 H GLU A 105 4.392 -4.301 3.473 1.00 0.00 H new ATOM 0 HA GLU A 105 6.290 -2.830 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.582 -0.559 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.517 -1.245 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.932 -1.995 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.998 -1.314 4.523 1.00 0.00 H new ATOM 1421 N LEU A 106 5.766 -3.788 4.879 1.00 0.00 N ATOM 1422 CA LEU A 106 6.330 -3.959 6.220 1.00 0.00 C ATOM 1423 C LEU A 106 5.856 -5.284 6.856 1.00 0.00 C ATOM 1424 O LEU A 106 5.193 -5.298 7.899 1.00 0.00 O ATOM 1425 CB LEU A 106 5.952 -2.706 7.114 1.00 0.00 C ATOM 1426 CG LEU A 106 7.093 -2.336 8.122 1.00 0.00 C ATOM 1427 CD1 LEU A 106 6.703 -1.062 8.914 1.00 0.00 C ATOM 1428 CD2 LEU A 106 7.368 -3.521 9.093 1.00 0.00 C ATOM 0 H LEU A 106 5.020 -4.443 4.645 1.00 0.00 H new ATOM 0 HA LEU A 106 7.416 -4.017 6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.746 -1.851 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.036 -2.918 7.666 1.00 0.00 H new ATOM 0 HG LEU A 106 8.007 -2.136 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.500 -0.810 9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.553 -0.234 8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.781 -1.245 9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.163 -3.246 9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.462 -3.750 9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.672 -4.397 8.521 1.00 0.00 H new ATOM 1440 N GLU A 107 6.220 -6.400 6.228 1.00 0.00 N ATOM 1441 CA GLU A 107 5.858 -7.732 6.739 1.00 0.00 C ATOM 1442 C GLU A 107 6.475 -7.942 8.133 1.00 0.00 C ATOM 1443 O GLU A 107 7.370 -7.185 8.477 1.00 0.00 O ATOM 1444 CB GLU A 107 6.369 -8.812 5.752 1.00 0.00 C ATOM 1445 CG GLU A 107 5.724 -8.606 4.352 1.00 0.00 C ATOM 1446 CD GLU A 107 6.204 -9.687 3.375 1.00 0.00 C ATOM 1447 OE1 GLU A 107 7.392 -9.963 3.373 1.00 0.00 O ATOM 1448 OE2 GLU A 107 5.379 -10.215 2.648 1.00 0.00 O ATOM 1449 OXT GLU A 107 6.036 -8.840 8.831 1.00 0.00 O ATOM 0 H GLU A 107 6.764 -6.415 5.366 1.00 0.00 H new ATOM 0 HA GLU A 107 4.774 -7.811 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.455 -8.758 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.126 -9.805 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.638 -8.641 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.982 -7.619 3.968 1.00 0.00 H new TER 1456 GLU A 107