USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HE2:sc= -1.38 K(o=-1.3,f=-3) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0546 USER MOD Set 2.1: A 74 ASN : amide:sc= -5.01! C(o=-5.4!,f=-7.8!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.43 K(o=-5.4,f=-9.8!) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.846 K(o=1.8,f=0.03) USER MOD Set 3.2: A 72 SER OG : rot 162:sc= 0.982 USER MOD Set 4.1: A 46 ASN : amide:sc= -0.635 X(o=-0.03,f=0.049) USER MOD Set 4.2: A 50 SER OG : rot 32:sc= 0.605 USER MOD Set 5.1: A 24 SER OG : rot -41:sc= 1.2 USER MOD Set 5.2: A 27 ASN : amide:sc= -1.53! C(o=-0.33!,f=-8.5!) USER MOD Single : A 1 LYS N :NH3+ -173:sc= -2.95! (180deg=-3.14!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -155:sc= -11.6! (180deg=-13.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0766 X(o=-0.077,f=0.15) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 40:sc= -3.33! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -4.64! C(o=-4.6!,f=-5.5!) USER MOD Single : A 40 THR OG1 : rot -130:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0223 X(o=-0.022,f=0.21) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.00584 X(o=0.0058,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -20:sc= 0.505 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.1!) USER MOD Single : A 59 ASN : amide:sc= -2.72! C(o=-2.7!,f=-8.4!) USER MOD Single : A 60 SER OG : rot -109:sc= 1.29 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 130:sc= 0 USER MOD Single : A 91 SER OG : rot -53:sc= 0.99 USER MOD Single : A 93 ASN : amide:sc= -0.0722 X(o=-0.072,f=-0.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.1) USER MOD Single : A 105 MET CE :methyl -155:sc= -1.22 (180deg=-3.48) USER MOD Single : A 106 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.38) USER MOD Single : A 113 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.59) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.523 -9.320 0.154 1.00 0.00 N ATOM 2 CA LYS A 1 -6.246 -10.055 0.354 1.00 0.00 C ATOM 3 C LYS A 1 -5.065 -9.093 0.446 1.00 0.00 C ATOM 4 O LYS A 1 -5.013 -8.090 -0.264 1.00 0.00 O ATOM 5 CB LYS A 1 -6.051 -11.022 -0.814 1.00 0.00 C ATOM 6 CG LYS A 1 -5.370 -12.322 -0.421 1.00 0.00 C ATOM 7 CD LYS A 1 -6.056 -13.523 -1.051 1.00 0.00 C ATOM 8 CE LYS A 1 -5.248 -14.082 -2.210 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.422 -15.252 -1.800 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.320 -9.986 0.214 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.624 -8.593 0.890 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.520 -8.867 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.294 -10.606 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.023 -11.249 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.459 -10.531 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.325 -12.295 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.378 -12.425 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.198 -14.298 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.047 -13.234 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.923 -14.378 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.600 -13.302 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.887 -15.603 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.760 -14.964 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.042 -16.007 -1.443 1.00 0.00 H new ATOM 25 N VAL A 2 -4.120 -9.411 1.324 1.00 0.00 N ATOM 26 CA VAL A 2 -2.938 -8.578 1.510 1.00 0.00 C ATOM 27 C VAL A 2 -1.682 -9.286 1.009 1.00 0.00 C ATOM 28 O VAL A 2 -1.402 -10.418 1.404 1.00 0.00 O ATOM 29 CB VAL A 2 -2.738 -8.202 2.994 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.416 -7.479 3.198 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.886 -7.341 3.490 1.00 0.00 C ATOM 0 H VAL A 2 -4.150 -10.240 1.918 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.101 -7.670 0.930 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.719 -9.126 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.299 -7.225 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.596 -8.126 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.404 -6.567 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.725 -7.088 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.936 -6.426 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.822 -7.890 3.390 1.00 0.00 H new ATOM 41 N PHE A 3 -0.913 -8.609 0.157 1.00 0.00 N ATOM 42 CA PHE A 3 0.322 -9.178 -0.365 1.00 0.00 C ATOM 43 C PHE A 3 1.383 -9.226 0.724 1.00 0.00 C ATOM 44 O PHE A 3 1.151 -8.792 1.853 1.00 0.00 O ATOM 45 CB PHE A 3 0.863 -8.335 -1.523 1.00 0.00 C ATOM 46 CG PHE A 3 -0.005 -8.304 -2.747 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.013 -9.234 -2.944 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.206 -7.336 -3.712 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.794 -9.194 -4.082 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.567 -7.292 -4.850 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.570 -8.221 -5.038 1.00 0.00 C ATOM 0 H PHE A 3 -1.125 -7.671 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 3 0.097 -10.185 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.006 -7.313 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.845 -8.717 -1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.189 -9.997 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.988 -6.605 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.579 -9.922 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.389 -6.531 -5.595 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.178 -8.188 -5.930 1.00 0.00 H new ATOM 61 N GLY A 4 2.555 -9.733 0.370 1.00 0.00 N ATOM 62 CA GLY A 4 3.651 -9.804 1.314 1.00 0.00 C ATOM 63 C GLY A 4 4.690 -8.737 1.033 1.00 0.00 C ATOM 64 O GLY A 4 4.354 -7.653 0.555 1.00 0.00 O ATOM 0 H GLY A 4 2.767 -10.098 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.269 -9.684 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.115 -10.789 1.262 1.00 0.00 H new ATOM 68 N ARG A 5 5.949 -9.036 1.321 1.00 0.00 N ATOM 69 CA ARG A 5 7.025 -8.081 1.084 1.00 0.00 C ATOM 70 C ARG A 5 7.619 -8.255 -0.304 1.00 0.00 C ATOM 71 O ARG A 5 7.579 -7.335 -1.122 1.00 0.00 O ATOM 72 CB ARG A 5 8.116 -8.226 2.147 1.00 0.00 C ATOM 73 CG ARG A 5 7.619 -7.995 3.564 1.00 0.00 C ATOM 74 CD ARG A 5 8.332 -8.897 4.558 1.00 0.00 C ATOM 75 NE ARG A 5 7.467 -9.969 5.046 1.00 0.00 N ATOM 76 CZ ARG A 5 7.309 -11.131 4.419 1.00 0.00 C ATOM 77 NH1 ARG A 5 7.955 -11.373 3.287 1.00 0.00 N ATOM 78 NH2 ARG A 5 6.503 -12.054 4.927 1.00 0.00 N ATOM 0 H ARG A 5 6.250 -9.926 1.717 1.00 0.00 H new ATOM 0 HA ARG A 5 6.601 -7.079 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.546 -9.225 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.917 -7.519 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.775 -6.952 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.546 -8.179 3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.214 -9.330 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.682 -8.301 5.401 1.00 0.00 H new ATOM 0 HE ARG A 5 6.956 -9.818 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.576 -10.666 2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.831 -12.266 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.005 -11.872 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.382 -12.945 4.446 1.00 0.00 H new ATOM 92 N CYS A 6 8.173 -9.430 -0.569 1.00 0.00 N ATOM 93 CA CYS A 6 8.772 -9.693 -1.867 1.00 0.00 C ATOM 94 C CYS A 6 7.723 -10.088 -2.892 1.00 0.00 C ATOM 95 O CYS A 6 7.792 -9.660 -4.035 1.00 0.00 O ATOM 96 CB CYS A 6 9.832 -10.778 -1.770 1.00 0.00 C ATOM 97 SG CYS A 6 10.977 -10.577 -0.369 1.00 0.00 S ATOM 0 H CYS A 6 8.220 -10.207 0.090 1.00 0.00 H new ATOM 0 HA CYS A 6 9.245 -8.768 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.339 -11.746 -1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.407 -10.793 -2.696 1.00 0.00 H new ATOM 102 N GLU A 7 6.748 -10.893 -2.482 1.00 0.00 N ATOM 103 CA GLU A 7 5.691 -11.309 -3.397 1.00 0.00 C ATOM 104 C GLU A 7 5.212 -10.099 -4.190 1.00 0.00 C ATOM 105 O GLU A 7 5.159 -10.115 -5.425 1.00 0.00 O ATOM 106 CB GLU A 7 4.526 -11.933 -2.627 1.00 0.00 C ATOM 107 CG GLU A 7 4.921 -13.147 -1.803 1.00 0.00 C ATOM 108 CD GLU A 7 4.985 -14.416 -2.630 1.00 0.00 C ATOM 109 OE1 GLU A 7 5.919 -14.546 -3.449 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.099 -15.281 -2.459 1.00 0.00 O ATOM 0 H GLU A 7 6.667 -11.266 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 7 6.085 -12.061 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.094 -11.181 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.748 -12.222 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.893 -12.968 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.204 -13.281 -0.993 1.00 0.00 H new ATOM 117 N LEU A 8 4.901 -9.037 -3.460 1.00 0.00 N ATOM 118 CA LEU A 8 4.459 -7.795 -4.063 1.00 0.00 C ATOM 119 C LEU A 8 5.593 -7.154 -4.859 1.00 0.00 C ATOM 120 O LEU A 8 5.359 -6.615 -5.937 1.00 0.00 O ATOM 121 CB LEU A 8 3.955 -6.829 -2.982 1.00 0.00 C ATOM 122 CG LEU A 8 3.451 -5.463 -3.477 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.590 -4.457 -3.521 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.787 -5.578 -4.844 1.00 0.00 C ATOM 0 H LEU A 8 4.948 -9.015 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 8 3.638 -8.015 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.146 -7.316 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.763 -6.659 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 8 2.700 -5.110 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.214 -3.497 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.009 -4.338 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.365 -4.814 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.442 -4.595 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.506 -5.964 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.937 -6.258 -4.780 1.00 0.00 H new ATOM 136 N ALA A 9 6.823 -7.217 -4.331 1.00 0.00 N ATOM 137 CA ALA A 9 7.971 -6.628 -5.017 1.00 0.00 C ATOM 138 C ALA A 9 8.220 -7.300 -6.360 1.00 0.00 C ATOM 139 O ALA A 9 8.314 -6.628 -7.384 1.00 0.00 O ATOM 140 CB ALA A 9 9.215 -6.693 -4.152 1.00 0.00 C ATOM 0 H ALA A 9 7.043 -7.665 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 9 7.737 -5.580 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.054 -6.248 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.043 -6.145 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.443 -7.733 -3.921 1.00 0.00 H new ATOM 146 N ALA A 10 8.322 -8.626 -6.357 1.00 0.00 N ATOM 147 CA ALA A 10 8.542 -9.367 -7.588 1.00 0.00 C ATOM 148 C ALA A 10 7.532 -8.925 -8.630 1.00 0.00 C ATOM 149 O ALA A 10 7.860 -8.777 -9.808 1.00 0.00 O ATOM 150 CB ALA A 10 8.434 -10.864 -7.336 1.00 0.00 C ATOM 0 H ALA A 10 8.256 -9.204 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 10 9.547 -9.161 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.601 -11.403 -8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.183 -11.165 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.440 -11.098 -6.955 1.00 0.00 H new ATOM 156 N ALA A 11 6.300 -8.690 -8.181 1.00 0.00 N ATOM 157 CA ALA A 11 5.249 -8.237 -9.076 1.00 0.00 C ATOM 158 C ALA A 11 5.592 -6.875 -9.640 1.00 0.00 C ATOM 159 O ALA A 11 5.291 -6.560 -10.792 1.00 0.00 O ATOM 160 CB ALA A 11 3.907 -8.210 -8.361 1.00 0.00 C ATOM 0 H ALA A 11 6.011 -8.806 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 11 5.170 -8.941 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.135 -7.868 -9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.662 -9.212 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.962 -7.531 -7.510 1.00 0.00 H new ATOM 166 N MET A 12 6.241 -6.085 -8.813 1.00 0.00 N ATOM 167 CA MET A 12 6.664 -4.740 -9.203 1.00 0.00 C ATOM 168 C MET A 12 7.703 -4.814 -10.313 1.00 0.00 C ATOM 169 O MET A 12 7.595 -4.126 -11.328 1.00 0.00 O ATOM 170 CB MET A 12 7.264 -3.980 -8.022 1.00 0.00 C ATOM 171 CG MET A 12 6.545 -4.208 -6.709 1.00 0.00 C ATOM 172 SD MET A 12 4.977 -3.327 -6.621 1.00 0.00 S ATOM 173 CE MET A 12 5.494 -1.699 -7.152 1.00 0.00 C ATOM 0 H MET A 12 6.493 -6.344 -7.859 1.00 0.00 H new ATOM 0 HA MET A 12 5.778 -4.210 -9.553 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.308 -4.273 -7.908 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.255 -2.914 -8.248 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.367 -5.275 -6.576 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.185 -3.887 -5.887 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.810 -0.951 -6.751 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.502 -1.501 -6.788 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.486 -1.652 -8.241 1.00 0.00 H new ATOM 183 N LYS A 13 8.714 -5.654 -10.103 1.00 0.00 N ATOM 184 CA LYS A 13 9.785 -5.828 -11.077 1.00 0.00 C ATOM 185 C LYS A 13 9.203 -6.070 -12.460 1.00 0.00 C ATOM 186 O LYS A 13 9.570 -5.404 -13.427 1.00 0.00 O ATOM 187 CB LYS A 13 10.687 -6.997 -10.675 1.00 0.00 C ATOM 188 CG LYS A 13 11.956 -7.099 -11.507 1.00 0.00 C ATOM 189 CD LYS A 13 13.135 -6.443 -10.807 1.00 0.00 C ATOM 190 CE LYS A 13 14.258 -6.132 -11.782 1.00 0.00 C ATOM 191 NZ LYS A 13 15.279 -7.215 -11.817 1.00 0.00 N ATOM 0 H LYS A 13 8.813 -6.226 -9.264 1.00 0.00 H new ATOM 0 HA LYS A 13 10.383 -4.917 -11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.958 -6.891 -9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.126 -7.927 -10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.183 -8.148 -11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.797 -6.625 -12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.806 -5.523 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.506 -7.102 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.843 -5.992 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.734 -5.193 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.028 -6.964 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.693 -7.332 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.830 -8.106 -12.111 1.00 0.00 H new ATOM 205 N ARG A 14 8.284 -7.024 -12.542 1.00 0.00 N ATOM 206 CA ARG A 14 7.639 -7.347 -13.802 1.00 0.00 C ATOM 207 C ARG A 14 6.838 -6.153 -14.300 1.00 0.00 C ATOM 208 O ARG A 14 6.704 -5.942 -15.505 1.00 0.00 O ATOM 209 CB ARG A 14 6.724 -8.563 -13.639 1.00 0.00 C ATOM 210 CG ARG A 14 7.053 -9.704 -14.587 1.00 0.00 C ATOM 211 CD ARG A 14 5.796 -10.423 -15.050 1.00 0.00 C ATOM 212 NE ARG A 14 5.954 -10.999 -16.382 1.00 0.00 N ATOM 213 CZ ARG A 14 5.672 -12.265 -16.677 1.00 0.00 C ATOM 214 NH1 ARG A 14 5.220 -13.083 -15.737 1.00 0.00 N ATOM 215 NH2 ARG A 14 5.843 -12.713 -17.913 1.00 0.00 N ATOM 0 H ARG A 14 7.971 -7.585 -11.750 1.00 0.00 H new ATOM 0 HA ARG A 14 8.409 -7.588 -14.535 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.792 -8.923 -12.613 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.691 -8.254 -13.800 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.591 -9.316 -15.452 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.716 -10.412 -14.090 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.548 -11.213 -14.341 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.959 -9.724 -15.054 1.00 0.00 H new ATOM 0 HE ARG A 14 6.300 -10.397 -17.129 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.088 -12.742 -14.785 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.004 -14.053 -15.966 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.191 -12.087 -18.639 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.626 -13.684 -18.138 1.00 0.00 H new ATOM 229 N HIS A 15 6.284 -5.387 -13.362 1.00 0.00 N ATOM 230 CA HIS A 15 5.469 -4.231 -13.704 1.00 0.00 C ATOM 231 C HIS A 15 6.320 -3.037 -14.123 1.00 0.00 C ATOM 232 O HIS A 15 5.783 -2.017 -14.554 1.00 0.00 O ATOM 233 CB HIS A 15 4.588 -3.840 -12.516 1.00 0.00 C ATOM 234 CG HIS A 15 3.299 -4.599 -12.447 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.619 -4.819 -11.267 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.562 -5.189 -13.419 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.521 -5.512 -11.517 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.464 -5.748 -12.813 1.00 0.00 N ATOM 0 H HIS A 15 6.387 -5.549 -12.360 1.00 0.00 H new ATOM 0 HA HIS A 15 4.845 -4.512 -14.552 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.145 -4.002 -11.593 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.369 -2.774 -12.573 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.917 -4.497 -10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.795 -5.215 -14.473 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.794 -5.831 -10.784 1.00 0.00 H new ATOM 247 N GLY A 16 7.645 -3.170 -14.056 1.00 0.00 N ATOM 248 CA GLY A 16 8.519 -2.097 -14.491 1.00 0.00 C ATOM 249 C GLY A 16 8.564 -0.881 -13.585 1.00 0.00 C ATOM 250 O GLY A 16 8.856 0.216 -14.061 1.00 0.00 O ATOM 0 H GLY A 16 8.125 -4.000 -13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.530 -2.493 -14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.205 -1.776 -15.484 1.00 0.00 H new ATOM 254 N LEU A 17 8.284 -1.029 -12.289 1.00 0.00 N ATOM 255 CA LEU A 17 8.322 0.132 -11.405 1.00 0.00 C ATOM 256 C LEU A 17 9.724 0.352 -10.875 1.00 0.00 C ATOM 257 O LEU A 17 9.977 1.265 -10.092 1.00 0.00 O ATOM 258 CB LEU A 17 7.337 -0.014 -10.243 1.00 0.00 C ATOM 259 CG LEU A 17 5.980 -0.637 -10.586 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.892 -0.034 -9.716 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.628 -0.445 -12.057 1.00 0.00 C ATOM 0 H LEU A 17 8.036 -1.911 -11.841 1.00 0.00 H new ATOM 0 HA LEU A 17 8.024 1.001 -11.992 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.807 -0.620 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.163 0.973 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 17 6.051 -1.707 -10.393 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.932 -0.485 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.117 -0.225 -8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.844 1.042 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.659 -0.900 -12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.584 0.620 -12.285 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.389 -0.917 -12.678 1.00 0.00 H new ATOM 273 N ASP A 18 10.629 -0.496 -11.320 1.00 0.00 N ATOM 274 CA ASP A 18 12.025 -0.413 -10.908 1.00 0.00 C ATOM 275 C ASP A 18 12.708 0.792 -11.552 1.00 0.00 C ATOM 276 O ASP A 18 13.268 0.703 -12.646 1.00 0.00 O ATOM 277 CB ASP A 18 12.764 -1.712 -11.249 1.00 0.00 C ATOM 278 CG ASP A 18 14.250 -1.504 -11.476 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.945 -1.089 -10.526 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.718 -1.756 -12.607 1.00 0.00 O ATOM 0 H ASP A 18 10.426 -1.255 -11.970 1.00 0.00 H new ATOM 0 HA ASP A 18 12.058 -0.278 -9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.622 -2.428 -10.440 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.323 -2.151 -12.144 1.00 0.00 H new ATOM 285 N ASN A 19 12.648 1.919 -10.852 1.00 0.00 N ATOM 286 CA ASN A 19 13.249 3.168 -11.310 1.00 0.00 C ATOM 287 C ASN A 19 12.579 3.677 -12.577 1.00 0.00 C ATOM 288 O ASN A 19 13.232 4.230 -13.462 1.00 0.00 O ATOM 289 CB ASN A 19 14.752 2.991 -11.540 1.00 0.00 C ATOM 290 CG ASN A 19 15.546 4.222 -11.146 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.567 5.219 -11.869 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.204 4.158 -9.995 1.00 0.00 N ATOM 0 H ASN A 19 12.180 1.993 -9.949 1.00 0.00 H new ATOM 0 HA ASN A 19 13.098 3.912 -10.528 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.106 2.135 -10.966 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.932 2.767 -12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.755 4.955 -9.678 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.158 3.311 -9.428 1.00 0.00 H new ATOM 299 N TYR A 20 11.267 3.506 -12.644 1.00 0.00 N ATOM 300 CA TYR A 20 10.500 3.969 -13.790 1.00 0.00 C ATOM 301 C TYR A 20 10.496 5.486 -13.788 1.00 0.00 C ATOM 302 O TYR A 20 11.059 6.091 -12.876 1.00 0.00 O ATOM 303 CB TYR A 20 9.068 3.424 -13.710 1.00 0.00 C ATOM 304 CG TYR A 20 8.226 3.701 -14.938 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.524 3.111 -16.159 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.129 4.552 -14.870 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.755 3.363 -17.279 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.354 4.808 -15.984 1.00 0.00 C ATOM 309 CZ TYR A 20 6.672 4.211 -17.186 1.00 0.00 C ATOM 310 OH TYR A 20 5.902 4.463 -18.299 1.00 0.00 O ATOM 0 H TYR A 20 10.712 3.051 -11.919 1.00 0.00 H new ATOM 0 HA TYR A 20 10.950 3.610 -14.716 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.110 2.347 -13.548 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.575 3.858 -12.840 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.370 2.444 -16.235 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.878 5.021 -13.930 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.001 2.898 -18.222 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.505 5.471 -15.914 1.00 0.00 H new ATOM 0 HH TYR A 20 5.178 5.080 -18.063 1.00 0.00 H new ATOM 320 N ARG A 21 9.884 6.098 -14.804 1.00 0.00 N ATOM 321 CA ARG A 21 9.818 7.555 -14.900 1.00 0.00 C ATOM 322 C ARG A 21 9.728 8.170 -13.504 1.00 0.00 C ATOM 323 O ARG A 21 10.173 9.293 -13.268 1.00 0.00 O ATOM 324 CB ARG A 21 8.614 7.981 -15.741 1.00 0.00 C ATOM 325 CG ARG A 21 8.965 8.309 -17.183 1.00 0.00 C ATOM 326 CD ARG A 21 8.145 9.479 -17.704 1.00 0.00 C ATOM 327 NE ARG A 21 8.946 10.691 -17.841 1.00 0.00 N ATOM 328 CZ ARG A 21 9.736 10.941 -18.882 1.00 0.00 C ATOM 329 NH1 ARG A 21 9.829 10.063 -19.873 1.00 0.00 N ATOM 330 NH2 ARG A 21 10.433 12.067 -18.932 1.00 0.00 N ATOM 0 H ARG A 21 9.427 5.606 -15.572 1.00 0.00 H new ATOM 0 HA ARG A 21 10.726 7.913 -15.386 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.872 7.183 -15.729 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.151 8.854 -15.281 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.026 8.546 -17.255 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.791 7.434 -17.809 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.715 9.218 -18.671 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.313 9.669 -17.026 1.00 0.00 H new ATOM 0 HE ARG A 21 8.898 11.386 -17.096 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.294 9.195 -19.837 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.435 10.256 -20.670 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.364 12.743 -18.172 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.038 12.257 -19.731 1.00 0.00 H new ATOM 344 N GLY A 22 9.180 7.386 -12.580 1.00 0.00 N ATOM 345 CA GLY A 22 9.063 7.804 -11.204 1.00 0.00 C ATOM 346 C GLY A 22 10.253 7.351 -10.371 1.00 0.00 C ATOM 347 O GLY A 22 11.346 7.906 -10.487 1.00 0.00 O ATOM 0 H GLY A 22 8.811 6.454 -12.770 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.981 8.890 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.146 7.398 -10.778 1.00 0.00 H new ATOM 351 N TYR A 23 10.027 6.368 -9.501 1.00 0.00 N ATOM 352 CA TYR A 23 11.087 5.885 -8.617 1.00 0.00 C ATOM 353 C TYR A 23 11.375 4.395 -8.758 1.00 0.00 C ATOM 354 O TYR A 23 10.781 3.700 -9.580 1.00 0.00 O ATOM 355 CB TYR A 23 10.740 6.211 -7.168 1.00 0.00 C ATOM 356 CG TYR A 23 10.811 7.686 -6.847 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.873 8.573 -7.360 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.815 8.193 -6.031 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.932 9.922 -7.071 1.00 0.00 C ATOM 360 CE2 TYR A 23 11.881 9.542 -5.736 1.00 0.00 C ATOM 361 CZ TYR A 23 10.938 10.402 -6.259 1.00 0.00 C ATOM 362 OH TYR A 23 11.000 11.745 -5.967 1.00 0.00 O ATOM 0 H TYR A 23 9.130 5.895 -9.389 1.00 0.00 H new ATOM 0 HA TYR A 23 11.998 6.402 -8.919 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.735 5.849 -6.953 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.421 5.671 -6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.084 8.201 -7.996 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.556 7.522 -5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.194 10.597 -7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.667 9.921 -5.099 1.00 0.00 H new ATOM 0 HH TYR A 23 11.767 11.918 -5.382 1.00 0.00 H new ATOM 372 N SER A 24 12.324 3.932 -7.938 1.00 0.00 N ATOM 373 CA SER A 24 12.753 2.541 -7.937 1.00 0.00 C ATOM 374 C SER A 24 11.801 1.655 -7.146 1.00 0.00 C ATOM 375 O SER A 24 11.020 2.136 -6.325 1.00 0.00 O ATOM 376 CB SER A 24 14.164 2.428 -7.357 1.00 0.00 C ATOM 377 OG SER A 24 14.167 2.682 -5.963 1.00 0.00 O ATOM 0 H SER A 24 12.813 4.515 -7.259 1.00 0.00 H new ATOM 0 HA SER A 24 12.750 2.196 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.560 1.431 -7.548 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.824 3.135 -7.860 1.00 0.00 H new ATOM 0 HG SER A 24 13.576 3.439 -5.767 1.00 0.00 H new ATOM 383 N LEU A 25 11.883 0.357 -7.413 1.00 0.00 N ATOM 384 CA LEU A 25 11.043 -0.635 -6.751 1.00 0.00 C ATOM 385 C LEU A 25 10.935 -0.365 -5.252 1.00 0.00 C ATOM 386 O LEU A 25 9.835 -0.232 -4.719 1.00 0.00 O ATOM 387 CB LEU A 25 11.601 -2.042 -6.992 1.00 0.00 C ATOM 388 CG LEU A 25 11.331 -2.632 -8.378 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.538 -4.139 -8.364 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.925 -2.294 -8.850 1.00 0.00 C ATOM 0 H LEU A 25 12.532 -0.038 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 25 10.042 -0.565 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.679 -2.019 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.181 -2.713 -6.243 1.00 0.00 H new ATOM 0 HG LEU A 25 12.039 -2.189 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.342 -4.542 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.566 -4.362 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.855 -4.593 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.759 -2.725 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.198 -2.703 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.809 -1.211 -8.903 1.00 0.00 H new ATOM 402 N GLY A 26 12.082 -0.301 -4.575 1.00 0.00 N ATOM 403 CA GLY A 26 12.094 -0.060 -3.139 1.00 0.00 C ATOM 404 C GLY A 26 11.161 1.058 -2.708 1.00 0.00 C ATOM 405 O GLY A 26 10.546 0.982 -1.644 1.00 0.00 O ATOM 0 H GLY A 26 13.004 -0.412 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.813 -0.977 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.110 0.184 -2.827 1.00 0.00 H new ATOM 409 N ASN A 27 11.049 2.095 -3.532 1.00 0.00 N ATOM 410 CA ASN A 27 10.178 3.225 -3.221 1.00 0.00 C ATOM 411 C ASN A 27 8.713 2.808 -3.289 1.00 0.00 C ATOM 412 O ASN A 27 7.884 3.274 -2.508 1.00 0.00 O ATOM 413 CB ASN A 27 10.441 4.379 -4.188 1.00 0.00 C ATOM 414 CG ASN A 27 11.874 4.871 -4.122 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.614 4.799 -5.103 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.274 5.374 -2.959 1.00 0.00 N ATOM 0 H ASN A 27 11.548 2.177 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 27 10.397 3.558 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.217 4.056 -5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.765 5.203 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.228 5.720 -2.854 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.627 5.415 -2.171 1.00 0.00 H new ATOM 423 N TRP A 28 8.410 1.915 -4.223 1.00 0.00 N ATOM 424 CA TRP A 28 7.056 1.407 -4.402 1.00 0.00 C ATOM 425 C TRP A 28 6.656 0.495 -3.257 1.00 0.00 C ATOM 426 O TRP A 28 5.531 0.565 -2.760 1.00 0.00 O ATOM 427 CB TRP A 28 6.959 0.653 -5.714 1.00 0.00 C ATOM 428 CG TRP A 28 7.182 1.533 -6.890 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.362 1.760 -7.520 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.200 2.319 -7.565 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.185 2.647 -8.547 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.860 3.002 -8.601 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.827 2.506 -7.393 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.194 3.864 -9.466 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.158 3.359 -8.248 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.842 4.031 -9.277 1.00 0.00 C ATOM 0 H TRP A 28 9.091 1.525 -4.874 1.00 0.00 H new ATOM 0 HA TRP A 28 6.374 2.257 -4.416 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.693 -0.153 -5.722 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.976 0.189 -5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.304 1.306 -7.250 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.917 2.988 -9.170 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.297 1.992 -6.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.718 4.382 -10.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.096 3.512 -8.125 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.294 4.692 -9.932 1.00 0.00 H new ATOM 447 N VAL A 29 7.576 -0.367 -2.844 1.00 0.00 N ATOM 448 CA VAL A 29 7.319 -1.300 -1.764 1.00 0.00 C ATOM 449 C VAL A 29 7.075 -0.577 -0.452 1.00 0.00 C ATOM 450 O VAL A 29 6.108 -0.856 0.249 1.00 0.00 O ATOM 451 CB VAL A 29 8.498 -2.277 -1.593 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.235 -3.257 -0.459 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.771 -3.010 -2.898 1.00 0.00 C ATOM 0 H VAL A 29 8.511 -0.436 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 29 6.421 -1.858 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 29 9.386 -1.702 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.083 -3.935 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.099 -2.708 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.334 -3.831 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.607 -3.697 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.884 -3.571 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.018 -2.288 -3.676 1.00 0.00 H new ATOM 463 N CYS A 30 7.964 0.344 -0.118 1.00 0.00 N ATOM 464 CA CYS A 30 7.843 1.095 1.118 1.00 0.00 C ATOM 465 C CYS A 30 6.540 1.889 1.163 1.00 0.00 C ATOM 466 O CYS A 30 5.832 1.876 2.173 1.00 0.00 O ATOM 467 CB CYS A 30 9.037 2.033 1.286 1.00 0.00 C ATOM 468 SG CYS A 30 9.251 2.646 2.984 1.00 0.00 S ATOM 0 H CYS A 30 8.776 0.588 -0.685 1.00 0.00 H new ATOM 0 HA CYS A 30 7.830 0.382 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.944 1.511 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.917 2.883 0.615 1.00 0.00 H new ATOM 473 N ALA A 31 6.222 2.584 0.069 1.00 0.00 N ATOM 474 CA ALA A 31 5.007 3.384 0.003 1.00 0.00 C ATOM 475 C ALA A 31 3.758 2.522 0.137 1.00 0.00 C ATOM 476 O ALA A 31 2.848 2.851 0.895 1.00 0.00 O ATOM 477 CB ALA A 31 4.966 4.167 -1.301 1.00 0.00 C ATOM 0 H ALA A 31 6.790 2.606 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 31 5.021 4.080 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.053 4.762 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.832 4.827 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.984 3.474 -2.142 1.00 0.00 H new ATOM 483 N ALA A 32 3.719 1.422 -0.607 1.00 0.00 N ATOM 484 CA ALA A 32 2.576 0.518 -0.578 1.00 0.00 C ATOM 485 C ALA A 32 2.461 -0.200 0.763 1.00 0.00 C ATOM 486 O ALA A 32 1.382 -0.257 1.352 1.00 0.00 O ATOM 487 CB ALA A 32 2.678 -0.493 -1.710 1.00 0.00 C ATOM 0 H ALA A 32 4.467 1.135 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 32 1.675 1.116 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.819 -1.163 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.694 0.031 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.594 -1.073 -1.599 1.00 0.00 H new ATOM 493 N LYS A 33 3.574 -0.759 1.230 1.00 0.00 N ATOM 494 CA LYS A 33 3.609 -1.490 2.491 1.00 0.00 C ATOM 495 C LYS A 33 2.893 -0.738 3.599 1.00 0.00 C ATOM 496 O LYS A 33 1.966 -1.256 4.214 1.00 0.00 O ATOM 497 CB LYS A 33 5.060 -1.742 2.910 1.00 0.00 C ATOM 498 CG LYS A 33 5.200 -2.363 4.290 1.00 0.00 C ATOM 499 CD LYS A 33 6.634 -2.295 4.790 1.00 0.00 C ATOM 500 CE LYS A 33 6.695 -2.308 6.309 1.00 0.00 C ATOM 501 NZ LYS A 33 6.295 -3.629 6.869 1.00 0.00 N ATOM 0 H LYS A 33 4.472 -0.718 0.747 1.00 0.00 H new ATOM 0 HA LYS A 33 3.094 -2.438 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.532 -2.397 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.604 -0.797 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.545 -1.846 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.874 -3.403 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.199 -3.139 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.109 -1.389 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.707 -2.067 6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.040 -1.532 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.350 -3.597 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.320 -3.848 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.935 -4.366 6.511 1.00 0.00 H new ATOM 515 N PHE A 34 3.347 0.475 3.868 1.00 0.00 N ATOM 516 CA PHE A 34 2.758 1.276 4.928 1.00 0.00 C ATOM 517 C PHE A 34 1.421 1.874 4.526 1.00 0.00 C ATOM 518 O PHE A 34 0.621 2.246 5.383 1.00 0.00 O ATOM 519 CB PHE A 34 3.715 2.366 5.365 1.00 0.00 C ATOM 520 CG PHE A 34 4.614 1.961 6.498 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.137 1.921 7.799 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.936 1.620 6.262 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.963 1.549 8.843 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.766 1.246 7.302 1.00 0.00 C ATOM 525 CZ PHE A 34 6.278 1.212 8.594 1.00 0.00 C ATOM 0 H PHE A 34 4.116 0.924 3.371 1.00 0.00 H new ATOM 0 HA PHE A 34 2.571 0.607 5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.328 2.661 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.141 3.243 5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.109 2.183 7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.322 1.647 5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.580 1.522 9.852 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.794 0.981 7.105 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.925 0.922 9.409 1.00 0.00 H new ATOM 535 N GLU A 35 1.179 1.979 3.228 1.00 0.00 N ATOM 536 CA GLU A 35 -0.063 2.547 2.731 1.00 0.00 C ATOM 537 C GLU A 35 -1.280 1.755 3.188 1.00 0.00 C ATOM 538 O GLU A 35 -2.203 2.302 3.791 1.00 0.00 O ATOM 539 CB GLU A 35 -0.027 2.575 1.204 1.00 0.00 C ATOM 540 CG GLU A 35 -0.288 3.950 0.612 1.00 0.00 C ATOM 541 CD GLU A 35 0.300 4.105 -0.776 1.00 0.00 C ATOM 542 OE1 GLU A 35 1.486 4.481 -0.881 1.00 0.00 O ATOM 543 OE2 GLU A 35 -0.426 3.851 -1.759 1.00 0.00 O ATOM 0 H GLU A 35 1.827 1.678 2.500 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.152 3.556 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.947 2.223 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.770 1.876 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.363 4.126 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.134 4.711 1.269 1.00 0.00 H new ATOM 550 N SER A 36 -1.295 0.476 2.847 1.00 0.00 N ATOM 551 CA SER A 36 -2.427 -0.388 3.167 1.00 0.00 C ATOM 552 C SER A 36 -1.988 -1.676 3.851 1.00 0.00 C ATOM 553 O SER A 36 -2.750 -2.640 3.907 1.00 0.00 O ATOM 554 CB SER A 36 -3.164 -0.734 1.871 1.00 0.00 C ATOM 555 OG SER A 36 -2.243 -0.992 0.829 1.00 0.00 O ATOM 0 H SER A 36 -0.537 0.010 2.348 1.00 0.00 H new ATOM 0 HA SER A 36 -3.078 0.149 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.797 -1.607 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.820 0.089 1.588 1.00 0.00 H new ATOM 0 HG SER A 36 -1.485 -1.503 1.182 1.00 0.00 H new ATOM 561 N ASN A 37 -0.757 -1.704 4.346 1.00 0.00 N ATOM 562 CA ASN A 37 -0.241 -2.905 4.988 1.00 0.00 C ATOM 563 C ASN A 37 -0.286 -4.050 3.987 1.00 0.00 C ATOM 564 O ASN A 37 -0.414 -5.214 4.355 1.00 0.00 O ATOM 565 CB ASN A 37 -1.057 -3.252 6.236 1.00 0.00 C ATOM 566 CG ASN A 37 -0.184 -3.479 7.455 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.024 -4.609 7.917 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.386 -2.402 7.982 1.00 0.00 N ATOM 0 H ASN A 37 -0.105 -0.920 4.316 1.00 0.00 H new ATOM 0 HA ASN A 37 0.787 -2.732 5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.761 -2.446 6.442 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.647 -4.148 6.043 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.985 -2.492 8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.225 -1.485 7.566 1.00 0.00 H new ATOM 575 N PHE A 38 -0.168 -3.675 2.713 1.00 0.00 N ATOM 576 CA PHE A 38 -0.177 -4.589 1.581 1.00 0.00 C ATOM 577 C PHE A 38 -1.577 -5.109 1.287 1.00 0.00 C ATOM 578 O PHE A 38 -1.741 -6.138 0.638 1.00 0.00 O ATOM 579 CB PHE A 38 0.824 -5.727 1.783 1.00 0.00 C ATOM 580 CG PHE A 38 2.240 -5.289 1.542 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.588 -4.673 0.350 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.216 -5.474 2.506 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.881 -4.251 0.122 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.512 -5.054 2.284 1.00 0.00 C ATOM 585 CZ PHE A 38 4.846 -4.442 1.090 1.00 0.00 C ATOM 0 H PHE A 38 -0.061 -2.699 2.437 1.00 0.00 H new ATOM 0 HA PHE A 38 0.140 -4.028 0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.733 -6.112 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.580 -6.547 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.836 -4.521 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.961 -5.951 3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.138 -3.772 -0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.265 -5.203 3.043 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.860 -4.114 0.915 1.00 0.00 H new ATOM 595 N ASN A 39 -2.589 -4.367 1.730 1.00 0.00 N ATOM 596 CA ASN A 39 -3.975 -4.741 1.478 1.00 0.00 C ATOM 597 C ASN A 39 -4.418 -4.192 0.131 1.00 0.00 C ATOM 598 O ASN A 39 -4.582 -2.984 -0.038 1.00 0.00 O ATOM 599 CB ASN A 39 -4.887 -4.224 2.588 1.00 0.00 C ATOM 600 CG ASN A 39 -6.092 -5.118 2.807 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.680 -5.632 1.855 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.466 -5.309 4.067 1.00 0.00 N ATOM 0 H ASN A 39 -2.474 -3.506 2.264 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.046 -5.829 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.320 -4.149 3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.224 -3.218 2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.270 -5.901 4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.950 -4.863 4.825 1.00 0.00 H new ATOM 609 N THR A 40 -4.575 -5.087 -0.832 1.00 0.00 N ATOM 610 CA THR A 40 -4.958 -4.705 -2.181 1.00 0.00 C ATOM 611 C THR A 40 -6.470 -4.647 -2.329 1.00 0.00 C ATOM 612 O THR A 40 -6.998 -3.937 -3.185 1.00 0.00 O ATOM 613 CB THR A 40 -4.386 -5.700 -3.208 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.329 -6.751 -3.451 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.083 -6.299 -2.705 1.00 0.00 C ATOM 0 H THR A 40 -4.442 -6.090 -0.702 1.00 0.00 H new ATOM 0 HA THR A 40 -4.548 -3.712 -2.368 1.00 0.00 H new ATOM 0 HB THR A 40 -4.193 -5.161 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.881 -7.618 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.695 -6.999 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.356 -5.504 -2.542 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.262 -6.824 -1.767 1.00 0.00 H new ATOM 623 N GLN A 41 -7.156 -5.413 -1.497 1.00 0.00 N ATOM 624 CA GLN A 41 -8.608 -5.475 -1.526 1.00 0.00 C ATOM 625 C GLN A 41 -9.236 -4.503 -0.529 1.00 0.00 C ATOM 626 O GLN A 41 -10.457 -4.472 -0.369 1.00 0.00 O ATOM 627 CB GLN A 41 -9.057 -6.900 -1.216 1.00 0.00 C ATOM 628 CG GLN A 41 -9.221 -7.772 -2.448 1.00 0.00 C ATOM 629 CD GLN A 41 -10.673 -8.095 -2.745 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.209 -7.703 -3.782 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.319 -8.811 -1.832 1.00 0.00 N ATOM 0 H GLN A 41 -6.726 -6.006 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.942 -5.185 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.330 -7.363 -0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.005 -6.864 -0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.782 -7.266 -3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.667 -8.700 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.836 -9.115 -0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.298 -9.057 -1.976 1.00 0.00 H new ATOM 640 N ALA A 42 -8.400 -3.726 0.152 1.00 0.00 N ATOM 641 CA ALA A 42 -8.885 -2.776 1.146 1.00 0.00 C ATOM 642 C ALA A 42 -9.205 -1.411 0.544 1.00 0.00 C ATOM 643 O ALA A 42 -8.760 -1.069 -0.552 1.00 0.00 O ATOM 644 CB ALA A 42 -7.871 -2.621 2.266 1.00 0.00 C ATOM 0 H ALA A 42 -7.387 -3.735 0.034 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.815 -3.182 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.246 -1.909 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.709 -3.586 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.929 -2.257 1.856 1.00 0.00 H new ATOM 650 N THR A 43 -9.972 -0.640 1.304 1.00 0.00 N ATOM 651 CA THR A 43 -10.373 0.706 0.913 1.00 0.00 C ATOM 652 C THR A 43 -10.103 1.675 2.063 1.00 0.00 C ATOM 653 O THR A 43 -10.177 1.287 3.229 1.00 0.00 O ATOM 654 CB THR A 43 -11.869 0.769 0.546 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.648 1.072 1.710 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.339 -0.551 -0.051 1.00 0.00 C ATOM 0 H THR A 43 -10.335 -0.931 2.212 1.00 0.00 H new ATOM 0 HA THR A 43 -9.791 0.985 0.034 1.00 0.00 H new ATOM 0 HB THR A 43 -12.002 1.555 -0.197 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.597 1.112 1.467 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.398 -0.481 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.766 -0.767 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.190 -1.352 0.674 1.00 0.00 H new ATOM 664 N ASN A 44 -9.787 2.927 1.746 1.00 0.00 N ATOM 665 CA ASN A 44 -9.507 3.919 2.783 1.00 0.00 C ATOM 666 C ASN A 44 -10.296 5.203 2.549 1.00 0.00 C ATOM 667 O ASN A 44 -9.840 6.104 1.846 1.00 0.00 O ATOM 668 CB ASN A 44 -8.010 4.228 2.830 1.00 0.00 C ATOM 669 CG ASN A 44 -7.574 4.771 4.178 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.637 4.074 5.191 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.130 6.022 4.196 1.00 0.00 N ATOM 0 H ASN A 44 -9.718 3.278 0.791 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.818 3.499 3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.447 3.321 2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.767 4.953 2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.824 6.442 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.095 6.563 3.332 1.00 0.00 H new ATOM 678 N ARG A 45 -11.482 5.279 3.145 1.00 0.00 N ATOM 679 CA ARG A 45 -12.337 6.454 3.002 1.00 0.00 C ATOM 680 C ARG A 45 -11.736 7.659 3.718 1.00 0.00 C ATOM 681 O ARG A 45 -11.303 7.560 4.867 1.00 0.00 O ATOM 682 CB ARG A 45 -13.734 6.163 3.552 1.00 0.00 C ATOM 683 CG ARG A 45 -14.777 7.189 3.139 1.00 0.00 C ATOM 684 CD ARG A 45 -16.180 6.739 3.510 1.00 0.00 C ATOM 685 NE ARG A 45 -16.308 6.466 4.940 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.413 7.415 5.866 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.407 8.695 5.513 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.525 7.085 7.145 1.00 0.00 N ATOM 0 H ARG A 45 -11.873 4.542 3.731 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.413 6.689 1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.051 5.177 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.686 6.124 4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.561 8.143 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.720 7.355 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.896 7.509 3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.434 5.842 2.946 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.317 5.493 5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.322 8.952 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.488 9.421 6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.531 6.103 7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.605 7.813 7.854 1.00 0.00 H new ATOM 702 N ASN A 46 -11.716 8.797 3.030 1.00 0.00 N ATOM 703 CA ASN A 46 -11.171 10.025 3.596 1.00 0.00 C ATOM 704 C ASN A 46 -12.280 11.023 3.906 1.00 0.00 C ATOM 705 O ASN A 46 -13.454 10.768 3.634 1.00 0.00 O ATOM 706 CB ASN A 46 -10.161 10.652 2.634 1.00 0.00 C ATOM 707 CG ASN A 46 -9.286 9.616 1.956 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.513 8.916 2.609 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.404 9.514 0.637 1.00 0.00 N ATOM 0 H ASN A 46 -12.072 8.893 2.079 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.666 9.770 4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.694 11.226 1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.531 11.354 3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.841 8.835 0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.058 10.115 0.135 1.00 0.00 H new ATOM 716 N THR A 47 -11.897 12.157 4.478 1.00 0.00 N ATOM 717 CA THR A 47 -12.853 13.200 4.832 1.00 0.00 C ATOM 718 C THR A 47 -13.127 14.127 3.652 1.00 0.00 C ATOM 719 O THR A 47 -14.191 14.738 3.565 1.00 0.00 O ATOM 720 CB THR A 47 -12.353 14.040 6.022 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.062 14.588 5.728 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.275 13.196 7.285 1.00 0.00 C ATOM 0 H THR A 47 -10.928 12.379 4.708 1.00 0.00 H new ATOM 0 HA THR A 47 -13.777 12.694 5.113 1.00 0.00 H new ATOM 0 HB THR A 47 -13.062 14.851 6.189 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.752 15.122 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.919 13.811 8.112 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.264 12.805 7.523 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.585 12.367 7.127 1.00 0.00 H new ATOM 730 N ASP A 48 -12.159 14.228 2.745 1.00 0.00 N ATOM 731 CA ASP A 48 -12.298 15.084 1.571 1.00 0.00 C ATOM 732 C ASP A 48 -13.350 14.531 0.615 1.00 0.00 C ATOM 733 O ASP A 48 -13.775 15.214 -0.318 1.00 0.00 O ATOM 734 CB ASP A 48 -10.957 15.223 0.852 1.00 0.00 C ATOM 735 CG ASP A 48 -10.292 13.884 0.596 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.979 12.849 0.712 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.083 13.873 0.281 1.00 0.00 O ATOM 0 H ASP A 48 -11.271 13.729 2.800 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.623 16.069 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.109 15.736 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.292 15.847 1.449 1.00 0.00 H new ATOM 742 N GLY A 49 -13.770 13.293 0.855 1.00 0.00 N ATOM 743 CA GLY A 49 -14.774 12.672 0.010 1.00 0.00 C ATOM 744 C GLY A 49 -14.227 11.517 -0.806 1.00 0.00 C ATOM 745 O GLY A 49 -14.968 10.605 -1.173 1.00 0.00 O ATOM 0 H GLY A 49 -13.433 12.708 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.594 12.314 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.189 13.422 -0.664 1.00 0.00 H new ATOM 749 N SER A 50 -12.929 11.553 -1.092 1.00 0.00 N ATOM 750 CA SER A 50 -12.294 10.496 -1.872 1.00 0.00 C ATOM 751 C SER A 50 -12.059 9.254 -1.019 1.00 0.00 C ATOM 752 O SER A 50 -12.508 9.177 0.125 1.00 0.00 O ATOM 753 CB SER A 50 -10.972 10.981 -2.469 1.00 0.00 C ATOM 754 OG SER A 50 -10.371 11.969 -1.650 1.00 0.00 O ATOM 0 H SER A 50 -12.299 12.299 -0.797 1.00 0.00 H new ATOM 0 HA SER A 50 -12.969 10.233 -2.686 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.291 10.138 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.147 11.388 -3.465 1.00 0.00 H new ATOM 0 HG SER A 50 -10.595 11.797 -0.712 1.00 0.00 H new ATOM 760 N THR A 51 -11.352 8.283 -1.588 1.00 0.00 N ATOM 761 CA THR A 51 -11.051 7.037 -0.894 1.00 0.00 C ATOM 762 C THR A 51 -9.869 6.330 -1.552 1.00 0.00 C ATOM 763 O THR A 51 -9.563 6.583 -2.715 1.00 0.00 O ATOM 764 CB THR A 51 -12.272 6.095 -0.895 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.411 6.767 -0.344 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.996 4.829 -0.099 1.00 0.00 C ATOM 0 H THR A 51 -10.975 8.337 -2.534 1.00 0.00 H new ATOM 0 HA THR A 51 -10.797 7.286 0.136 1.00 0.00 H new ATOM 0 HB THR A 51 -12.475 5.814 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.112 7.529 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.877 4.187 -0.120 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.151 4.300 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.763 5.092 0.933 1.00 0.00 H new ATOM 774 N ASP A 52 -9.212 5.442 -0.813 1.00 0.00 N ATOM 775 CA ASP A 52 -8.073 4.698 -1.342 1.00 0.00 C ATOM 776 C ASP A 52 -8.450 3.247 -1.559 1.00 0.00 C ATOM 777 O ASP A 52 -8.378 2.429 -0.643 1.00 0.00 O ATOM 778 CB ASP A 52 -6.882 4.798 -0.388 1.00 0.00 C ATOM 779 CG ASP A 52 -6.491 6.234 -0.098 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.311 7.006 -1.063 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.363 6.585 1.093 1.00 0.00 O ATOM 0 H ASP A 52 -9.448 5.220 0.154 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.788 5.133 -2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.127 4.295 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.030 4.273 -0.819 1.00 0.00 H new ATOM 786 N TYR A 53 -8.870 2.937 -2.778 1.00 0.00 N ATOM 787 CA TYR A 53 -9.276 1.587 -3.109 1.00 0.00 C ATOM 788 C TYR A 53 -8.115 0.754 -3.638 1.00 0.00 C ATOM 789 O TYR A 53 -7.959 0.575 -4.844 1.00 0.00 O ATOM 790 CB TYR A 53 -10.411 1.595 -4.130 1.00 0.00 C ATOM 791 CG TYR A 53 -11.725 2.105 -3.583 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.616 1.245 -2.953 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.079 3.443 -3.701 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.821 1.702 -2.456 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.283 3.908 -3.208 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.150 3.034 -2.586 1.00 0.00 C ATOM 797 OH TYR A 53 -15.349 3.495 -2.094 1.00 0.00 O ATOM 0 H TYR A 53 -8.937 3.602 -3.548 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.627 1.128 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.118 2.213 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.554 0.582 -4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.362 0.200 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.402 4.131 -4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.501 1.020 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.544 4.951 -3.309 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.425 4.457 -2.266 1.00 0.00 H new ATOM 807 N GLY A 54 -7.313 0.241 -2.722 1.00 0.00 N ATOM 808 CA GLY A 54 -6.199 -0.599 -3.134 1.00 0.00 C ATOM 809 C GLY A 54 -4.978 -0.557 -2.246 1.00 0.00 C ATOM 810 O GLY A 54 -4.952 0.108 -1.211 1.00 0.00 O ATOM 0 H GLY A 54 -7.405 0.384 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.548 -1.630 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.902 -0.307 -4.141 1.00 0.00 H new ATOM 814 N ILE A 55 -3.954 -1.283 -2.694 1.00 0.00 N ATOM 815 CA ILE A 55 -2.680 -1.368 -1.997 1.00 0.00 C ATOM 816 C ILE A 55 -1.838 -0.135 -2.304 1.00 0.00 C ATOM 817 O ILE A 55 -0.907 0.199 -1.570 1.00 0.00 O ATOM 818 CB ILE A 55 -1.898 -2.627 -2.425 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.742 -2.898 -1.463 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.379 -2.463 -3.847 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.004 -4.185 -1.762 1.00 0.00 C ATOM 0 H ILE A 55 -3.989 -1.829 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.885 -1.425 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.574 -3.482 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.039 -2.066 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.128 -2.937 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.829 -3.357 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.219 -2.316 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.718 -1.598 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.804 -4.317 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.694 -5.025 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.411 -4.141 -2.769 1.00 0.00 H new ATOM 833 N LEU A 56 -2.198 0.551 -3.388 1.00 0.00 N ATOM 834 CA LEU A 56 -1.508 1.767 -3.796 1.00 0.00 C ATOM 835 C LEU A 56 -2.469 2.945 -3.708 1.00 0.00 C ATOM 836 O LEU A 56 -2.147 4.057 -4.123 1.00 0.00 O ATOM 837 CB LEU A 56 -0.946 1.642 -5.223 1.00 0.00 C ATOM 838 CG LEU A 56 0.544 1.997 -5.381 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.904 3.216 -4.544 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.413 0.811 -4.994 1.00 0.00 C ATOM 0 H LEU A 56 -2.968 0.281 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.665 1.929 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.096 0.618 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.527 2.287 -5.882 1.00 0.00 H new ATOM 0 HG LEU A 56 0.728 2.239 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.962 3.446 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.305 4.068 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.703 3.008 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.464 1.076 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.220 0.542 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.179 -0.037 -5.638 1.00 0.00 H new ATOM 852 N GLN A 57 -3.652 2.683 -3.143 1.00 0.00 N ATOM 853 CA GLN A 57 -4.681 3.704 -2.963 1.00 0.00 C ATOM 854 C GLN A 57 -5.288 4.158 -4.288 1.00 0.00 C ATOM 855 O GLN A 57 -5.033 5.277 -4.735 1.00 0.00 O ATOM 856 CB GLN A 57 -4.105 4.911 -2.218 1.00 0.00 C ATOM 857 CG GLN A 57 -3.436 4.551 -0.900 1.00 0.00 C ATOM 858 CD GLN A 57 -3.111 5.770 -0.060 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.457 6.703 -0.527 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.564 5.767 1.188 1.00 0.00 N ATOM 0 H GLN A 57 -3.919 1.760 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.479 3.252 -2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.379 5.411 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.906 5.625 -2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.090 3.888 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.519 3.998 -1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.102 4.972 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.374 6.559 1.801 1.00 0.00 H new ATOM 869 N ILE A 58 -6.104 3.306 -4.917 1.00 0.00 N ATOM 870 CA ILE A 58 -6.730 3.674 -6.172 1.00 0.00 C ATOM 871 C ILE A 58 -7.987 4.471 -5.895 1.00 0.00 C ATOM 872 O ILE A 58 -9.067 3.909 -5.715 1.00 0.00 O ATOM 873 CB ILE A 58 -7.076 2.436 -7.025 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.912 1.440 -7.020 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.418 2.853 -8.447 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.556 2.079 -7.243 1.00 0.00 C ATOM 0 H ILE A 58 -6.338 2.373 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.020 4.278 -6.737 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.947 1.946 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.902 0.913 -6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.083 0.693 -7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.660 1.969 -9.037 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.276 3.526 -8.433 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.564 3.364 -8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.784 1.310 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.545 2.582 -8.210 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.362 2.805 -6.454 1.00 0.00 H new ATOM 888 N ASN A 59 -7.838 5.787 -5.845 1.00 0.00 N ATOM 889 CA ASN A 59 -8.955 6.669 -5.574 1.00 0.00 C ATOM 890 C ASN A 59 -10.032 6.523 -6.635 1.00 0.00 C ATOM 891 O ASN A 59 -9.935 7.107 -7.713 1.00 0.00 O ATOM 892 CB ASN A 59 -8.470 8.116 -5.518 1.00 0.00 C ATOM 893 CG ASN A 59 -9.577 9.089 -5.157 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.671 8.685 -4.762 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.295 10.381 -5.288 1.00 0.00 N ATOM 0 H ASN A 59 -6.949 6.265 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.385 6.394 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.666 8.198 -4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.050 8.392 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.999 11.083 -5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.375 10.671 -5.619 1.00 0.00 H new ATOM 902 N SER A 60 -11.066 5.752 -6.324 1.00 0.00 N ATOM 903 CA SER A 60 -12.167 5.549 -7.260 1.00 0.00 C ATOM 904 C SER A 60 -12.933 6.852 -7.490 1.00 0.00 C ATOM 905 O SER A 60 -13.730 6.957 -8.422 1.00 0.00 O ATOM 906 CB SER A 60 -13.121 4.472 -6.740 1.00 0.00 C ATOM 907 OG SER A 60 -14.144 5.038 -5.939 1.00 0.00 O ATOM 0 H SER A 60 -11.167 5.259 -5.437 1.00 0.00 H new ATOM 0 HA SER A 60 -11.744 5.221 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.566 3.940 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.563 3.739 -6.158 1.00 0.00 H new ATOM 0 HG SER A 60 -13.998 4.794 -5.001 1.00 0.00 H new ATOM 913 N ARG A 61 -12.680 7.848 -6.646 1.00 0.00 N ATOM 914 CA ARG A 61 -13.339 9.142 -6.777 1.00 0.00 C ATOM 915 C ARG A 61 -12.469 10.084 -7.599 1.00 0.00 C ATOM 916 O ARG A 61 -12.615 11.305 -7.536 1.00 0.00 O ATOM 917 CB ARG A 61 -13.613 9.746 -5.398 1.00 0.00 C ATOM 918 CG ARG A 61 -14.808 10.685 -5.372 1.00 0.00 C ATOM 919 CD ARG A 61 -14.613 11.807 -4.365 1.00 0.00 C ATOM 920 NE ARG A 61 -15.498 12.938 -4.629 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.407 14.107 -4.003 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.473 14.300 -3.081 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.250 15.087 -4.300 1.00 0.00 N ATOM 0 H ARG A 61 -12.025 7.784 -5.867 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.292 9.000 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.779 8.940 -4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.728 10.288 -5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.961 11.108 -6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.708 10.123 -5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.798 11.428 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.577 12.143 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.227 12.825 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.821 13.550 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.406 15.199 -2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.969 14.944 -5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.179 15.984 -3.819 1.00 0.00 H new ATOM 937 N TRP A 62 -11.565 9.494 -8.371 1.00 0.00 N ATOM 938 CA TRP A 62 -10.659 10.266 -9.216 1.00 0.00 C ATOM 939 C TRP A 62 -10.025 9.424 -10.327 1.00 0.00 C ATOM 940 O TRP A 62 -9.375 9.972 -11.218 1.00 0.00 O ATOM 941 CB TRP A 62 -9.559 10.901 -8.363 1.00 0.00 C ATOM 942 CG TRP A 62 -9.330 12.348 -8.672 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.688 12.863 -9.761 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.739 13.470 -7.880 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.674 14.236 -9.697 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.313 14.632 -8.551 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.425 13.605 -6.670 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.550 15.910 -8.052 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.661 14.874 -6.175 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.224 16.012 -6.865 1.00 0.00 C ATOM 0 H TRP A 62 -11.439 8.484 -8.430 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.257 11.041 -9.696 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.821 10.799 -7.310 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.629 10.353 -8.515 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.254 12.277 -10.557 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.256 14.858 -10.389 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.765 12.733 -6.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.214 16.789 -8.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.191 14.990 -5.241 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.423 16.990 -6.452 1.00 0.00 H new ATOM 961 N TRP A 63 -10.189 8.102 -10.275 1.00 0.00 N ATOM 962 CA TRP A 63 -9.595 7.234 -11.287 1.00 0.00 C ATOM 963 C TRP A 63 -10.602 6.247 -11.866 1.00 0.00 C ATOM 964 O TRP A 63 -10.994 6.359 -13.026 1.00 0.00 O ATOM 965 CB TRP A 63 -8.402 6.477 -10.694 1.00 0.00 C ATOM 966 CG TRP A 63 -7.295 7.391 -10.269 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.692 7.473 -9.045 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.677 8.376 -11.086 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.724 8.453 -9.066 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.702 9.024 -10.314 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.864 8.763 -12.404 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.912 10.051 -10.831 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.097 9.774 -12.920 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.126 10.415 -12.136 1.00 0.00 C ATOM 0 H TRP A 63 -10.721 7.616 -9.553 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.258 7.872 -12.104 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.736 5.894 -9.836 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.022 5.770 -11.431 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.938 6.861 -8.190 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.123 8.712 -8.283 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.606 8.273 -13.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.162 10.540 -10.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.242 10.082 -13.945 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.536 11.210 -12.568 1.00 0.00 H new ATOM 985 N CYS A 64 -10.987 5.263 -11.067 1.00 0.00 N ATOM 986 CA CYS A 64 -11.916 4.242 -11.536 1.00 0.00 C ATOM 987 C CYS A 64 -13.356 4.562 -11.172 1.00 0.00 C ATOM 988 O CYS A 64 -13.627 5.328 -10.250 1.00 0.00 O ATOM 989 CB CYS A 64 -11.533 2.866 -10.979 1.00 0.00 C ATOM 990 SG CYS A 64 -12.344 2.429 -9.402 1.00 0.00 S ATOM 0 H CYS A 64 -10.676 5.149 -10.102 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.845 4.226 -12.624 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.780 2.107 -11.721 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.453 2.834 -10.837 1.00 0.00 H new ATOM 995 N ASN A 65 -14.275 3.953 -11.913 1.00 0.00 N ATOM 996 CA ASN A 65 -15.702 4.151 -11.686 1.00 0.00 C ATOM 997 C ASN A 65 -16.278 3.009 -10.856 1.00 0.00 C ATOM 998 O ASN A 65 -16.441 1.892 -11.346 1.00 0.00 O ATOM 999 CB ASN A 65 -16.444 4.253 -13.020 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.882 4.702 -12.849 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.150 5.766 -12.289 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.816 3.892 -13.332 1.00 0.00 N ATOM 0 H ASN A 65 -14.056 3.316 -12.679 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.834 5.083 -11.136 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.922 4.955 -13.670 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.426 3.283 -13.518 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.801 4.142 -13.247 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.548 3.020 -13.789 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.583 3.299 -9.596 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.140 2.296 -8.695 1.00 0.00 C ATOM 1011 C ASP A 66 -18.652 2.458 -8.567 1.00 0.00 C ATOM 1012 O ASP A 66 -19.352 1.532 -8.154 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.481 2.394 -7.319 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.881 3.650 -6.569 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.108 4.688 -7.227 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.966 3.597 -5.325 1.00 0.00 O ATOM 0 H ASP A 66 -16.454 4.219 -9.175 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.936 1.311 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.752 1.520 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.398 2.375 -7.437 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.149 3.636 -8.928 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.576 3.897 -8.854 1.00 0.00 C ATOM 1023 C GLY A 67 -21.053 4.181 -7.442 1.00 0.00 C ATOM 1024 O GLY A 67 -22.152 4.701 -7.248 1.00 0.00 O ATOM 0 H GLY A 67 -18.589 4.416 -9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.818 4.747 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.118 3.038 -9.249 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.230 3.842 -6.455 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.583 4.066 -5.057 1.00 0.00 C ATOM 1030 C ARG A 68 -20.270 5.498 -4.638 1.00 0.00 C ATOM 1031 O ARG A 68 -20.566 5.905 -3.514 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.833 3.082 -4.157 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.585 2.729 -2.883 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.633 2.486 -1.723 1.00 0.00 C ATOM 1035 NE ARG A 68 -20.133 3.060 -0.476 1.00 0.00 N ATOM 1036 CZ ARG A 68 -19.385 3.230 0.609 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -18.107 2.875 0.601 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -19.914 3.759 1.704 1.00 0.00 N ATOM 0 H ARG A 68 -19.316 3.412 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.655 3.903 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.635 2.168 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -18.866 3.509 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.271 3.537 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.190 1.838 -3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.484 1.414 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.660 2.917 -1.956 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.111 3.346 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.695 2.470 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.536 3.007 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -20.896 4.036 1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.339 3.889 2.536 1.00 0.00 H new ATOM 1052 N THR A 69 -19.670 6.259 -5.548 1.00 0.00 N ATOM 1053 CA THR A 69 -19.318 7.647 -5.272 1.00 0.00 C ATOM 1054 C THR A 69 -19.598 8.537 -6.480 1.00 0.00 C ATOM 1055 O THR A 69 -18.999 8.362 -7.541 1.00 0.00 O ATOM 1056 CB THR A 69 -17.834 7.783 -4.883 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.385 6.587 -4.235 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.623 8.974 -3.961 1.00 0.00 C ATOM 0 H THR A 69 -19.418 5.938 -6.483 1.00 0.00 H new ATOM 0 HA THR A 69 -19.937 7.969 -4.435 1.00 0.00 H new ATOM 0 HB THR A 69 -17.256 7.941 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.440 6.681 -3.992 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.567 9.050 -3.700 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.938 9.886 -4.467 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.212 8.841 -3.054 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.519 9.509 -6.336 1.00 0.00 N ATOM 1067 CA PRO A 70 -20.873 10.426 -7.424 1.00 0.00 C ATOM 1068 C PRO A 70 -19.747 11.403 -7.748 1.00 0.00 C ATOM 1069 O PRO A 70 -18.905 11.697 -6.899 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.091 11.174 -6.878 1.00 0.00 C ATOM 1071 CG PRO A 70 -21.941 11.109 -5.398 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.283 9.790 -5.106 1.00 0.00 C ATOM 0 HA PRO A 70 -21.066 9.896 -8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.112 12.206 -7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.021 10.707 -7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.335 11.937 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -22.910 11.179 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.632 9.850 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.018 9.011 -4.903 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.740 11.903 -8.979 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.714 12.841 -9.393 1.00 0.00 C ATOM 1082 C GLY A 71 -17.431 12.151 -9.812 1.00 0.00 C ATOM 1083 O GLY A 71 -16.380 12.786 -9.910 1.00 0.00 O ATOM 0 H GLY A 71 -20.427 11.675 -9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.088 13.440 -10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.502 13.528 -8.574 1.00 0.00 H new ATOM 1087 N SER A 72 -17.516 10.848 -10.059 1.00 0.00 N ATOM 1088 CA SER A 72 -16.355 10.068 -10.470 1.00 0.00 C ATOM 1089 C SER A 72 -15.801 10.574 -11.797 1.00 0.00 C ATOM 1090 O SER A 72 -16.525 10.671 -12.789 1.00 0.00 O ATOM 1091 CB SER A 72 -16.725 8.589 -10.591 1.00 0.00 C ATOM 1092 OG SER A 72 -17.927 8.420 -11.321 1.00 0.00 O ATOM 0 H SER A 72 -18.379 10.309 -9.981 1.00 0.00 H new ATOM 0 HA SER A 72 -15.584 10.182 -9.708 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.917 8.049 -11.085 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.836 8.157 -9.597 1.00 0.00 H new ATOM 0 HG SER A 72 -17.992 7.494 -11.635 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.512 10.896 -11.806 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.856 11.393 -13.011 1.00 0.00 C ATOM 1100 C ARG A 73 -13.663 10.271 -14.025 1.00 0.00 C ATOM 1101 O ARG A 73 -13.867 10.463 -15.224 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.504 12.018 -12.659 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.598 13.481 -12.257 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.871 14.378 -13.244 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.526 15.676 -13.390 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.497 15.918 -14.266 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -13.925 14.954 -15.070 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -14.042 17.125 -14.336 1.00 0.00 N ATOM 0 H ARG A 73 -13.901 10.822 -10.993 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.495 12.155 -13.457 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.053 11.453 -11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.837 11.927 -13.516 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.646 13.777 -12.199 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.173 13.614 -11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.844 14.526 -12.911 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.823 13.885 -14.215 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.221 16.439 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.509 14.024 -15.017 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.670 15.143 -15.741 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.716 17.868 -13.718 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.787 17.310 -15.008 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.261 9.100 -13.533 1.00 0.00 N ATOM 1123 CA ASN A 74 -13.033 7.939 -14.390 1.00 0.00 C ATOM 1124 C ASN A 74 -11.871 8.218 -15.335 1.00 0.00 C ATOM 1125 O ASN A 74 -11.817 7.698 -16.449 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.295 7.599 -15.188 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.405 6.118 -15.494 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -14.028 5.275 -14.680 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.923 5.795 -16.673 1.00 0.00 N ATOM 0 H ASN A 74 -13.086 8.931 -12.542 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.787 7.083 -13.762 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.173 7.917 -14.626 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.293 8.161 -16.122 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.022 4.814 -16.935 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.222 6.528 -17.317 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.937 9.030 -14.855 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.751 9.385 -15.598 1.00 0.00 C ATOM 1138 C LEU A 75 -9.067 8.163 -16.139 1.00 0.00 C ATOM 1139 O LEU A 75 -8.577 8.124 -17.267 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.810 10.071 -14.635 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.918 11.595 -14.606 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.142 12.176 -13.435 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.436 12.193 -15.921 1.00 0.00 C ATOM 0 H LEU A 75 -10.989 9.460 -13.931 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.023 10.027 -16.436 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.998 9.689 -13.632 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.787 9.799 -14.893 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.968 11.855 -14.475 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.236 13.262 -13.439 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.542 11.780 -12.501 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.091 11.903 -13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.521 13.279 -15.880 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.395 11.917 -16.086 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.047 11.812 -16.739 1.00 0.00 H new ATOM 1155 N CYS A 76 -9.035 7.181 -15.283 1.00 0.00 N ATOM 1156 CA CYS A 76 -8.414 5.922 -15.563 1.00 0.00 C ATOM 1157 C CYS A 76 -9.390 4.985 -16.261 1.00 0.00 C ATOM 1158 O CYS A 76 -8.987 4.095 -17.010 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.964 5.349 -14.242 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.270 4.688 -14.230 1.00 0.00 S ATOM 0 H CYS A 76 -9.449 7.237 -14.353 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.564 6.049 -16.234 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.041 6.126 -13.481 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.651 4.553 -13.955 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.679 5.201 -16.004 1.00 0.00 N ATOM 1166 CA ASN A 77 -11.726 4.378 -16.597 1.00 0.00 C ATOM 1167 C ASN A 77 -11.360 2.911 -16.452 1.00 0.00 C ATOM 1168 O ASN A 77 -11.186 2.198 -17.441 1.00 0.00 O ATOM 1169 CB ASN A 77 -11.916 4.733 -18.074 1.00 0.00 C ATOM 1170 CG ASN A 77 -13.218 4.195 -18.637 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -13.866 3.344 -18.029 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -13.606 4.692 -19.806 1.00 0.00 N ATOM 0 H ASN A 77 -11.021 5.939 -15.389 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.665 4.568 -16.077 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.894 5.817 -18.190 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.082 4.334 -18.651 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.473 4.369 -20.235 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.037 5.397 -20.275 1.00 0.00 H new ATOM 1179 N ILE A 78 -11.220 2.472 -15.207 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.845 1.097 -14.936 1.00 0.00 C ATOM 1181 C ILE A 78 -11.841 0.395 -14.012 1.00 0.00 C ATOM 1182 O ILE A 78 -12.321 0.980 -13.044 1.00 0.00 O ATOM 1183 CB ILE A 78 -9.427 1.015 -14.323 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.488 0.974 -12.787 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.592 2.189 -14.804 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.359 1.714 -12.094 1.00 0.00 C ATOM 0 H ILE A 78 -11.360 3.047 -14.376 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.853 0.582 -15.897 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.956 0.089 -14.654 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.438 1.399 -12.462 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.477 -0.067 -12.463 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.594 2.128 -14.370 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.517 2.161 -15.891 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.065 3.122 -14.497 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.480 1.634 -11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.404 1.276 -12.385 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.380 2.764 -12.384 1.00 0.00 H new ATOM 1198 N PRO A 79 -12.148 -0.886 -14.280 1.00 0.00 N ATOM 1199 CA PRO A 79 -13.056 -1.659 -13.436 1.00 0.00 C ATOM 1200 C PRO A 79 -12.348 -2.046 -12.144 1.00 0.00 C ATOM 1201 O PRO A 79 -11.493 -2.925 -12.142 1.00 0.00 O ATOM 1202 CB PRO A 79 -13.363 -2.893 -14.283 1.00 0.00 C ATOM 1203 CG PRO A 79 -12.155 -3.070 -15.140 1.00 0.00 C ATOM 1204 CD PRO A 79 -11.612 -1.688 -15.398 1.00 0.00 C ATOM 0 HA PRO A 79 -13.957 -1.117 -13.147 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.538 -3.769 -13.659 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -14.259 -2.747 -14.886 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.412 -3.692 -14.641 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.411 -3.568 -16.075 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -10.522 -1.682 -15.409 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.942 -1.302 -16.362 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.685 -1.374 -11.051 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.040 -1.644 -9.771 1.00 0.00 C ATOM 1214 C CYS A 80 -12.366 -3.038 -9.234 1.00 0.00 C ATOM 1215 O CYS A 80 -11.461 -3.817 -8.941 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.418 -0.565 -8.751 1.00 0.00 C ATOM 1217 SG CYS A 80 -11.262 0.851 -8.712 1.00 0.00 S ATOM 0 H CYS A 80 -13.396 -0.643 -11.023 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.963 -1.617 -9.937 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.419 -0.199 -8.978 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.460 -1.015 -7.759 1.00 0.00 H new ATOM 1222 N SER A 81 -13.650 -3.345 -9.090 1.00 0.00 N ATOM 1223 CA SER A 81 -14.081 -4.642 -8.564 1.00 0.00 C ATOM 1224 C SER A 81 -13.345 -5.820 -9.211 1.00 0.00 C ATOM 1225 O SER A 81 -12.946 -6.758 -8.520 1.00 0.00 O ATOM 1226 CB SER A 81 -15.589 -4.811 -8.755 1.00 0.00 C ATOM 1227 OG SER A 81 -15.954 -4.638 -10.114 1.00 0.00 O ATOM 0 H SER A 81 -14.415 -2.714 -9.330 1.00 0.00 H new ATOM 0 HA SER A 81 -13.833 -4.649 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.893 -5.802 -8.417 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.120 -4.087 -8.138 1.00 0.00 H new ATOM 0 HG SER A 81 -16.923 -4.753 -10.210 1.00 0.00 H new ATOM 1233 N ALA A 82 -13.175 -5.780 -10.530 1.00 0.00 N ATOM 1234 CA ALA A 82 -12.496 -6.863 -11.244 1.00 0.00 C ATOM 1235 C ALA A 82 -10.978 -6.705 -11.200 1.00 0.00 C ATOM 1236 O ALA A 82 -10.234 -7.658 -11.430 1.00 0.00 O ATOM 1237 CB ALA A 82 -12.978 -6.922 -12.686 1.00 0.00 C ATOM 0 H ALA A 82 -13.495 -5.016 -11.125 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.744 -7.798 -10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.467 -7.731 -13.208 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.053 -7.102 -12.703 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.760 -5.976 -13.181 1.00 0.00 H new ATOM 1243 N LEU A 83 -10.535 -5.491 -10.909 1.00 0.00 N ATOM 1244 CA LEU A 83 -9.106 -5.200 -10.842 1.00 0.00 C ATOM 1245 C LEU A 83 -8.593 -5.256 -9.404 1.00 0.00 C ATOM 1246 O LEU A 83 -7.403 -5.068 -9.153 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.808 -3.842 -11.476 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.931 -3.814 -13.004 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -8.910 -2.384 -13.520 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -7.821 -4.633 -13.646 1.00 0.00 C ATOM 0 H LEU A 83 -11.140 -4.693 -10.716 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.579 -5.968 -11.407 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.488 -3.102 -11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.798 -3.540 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.887 -4.260 -13.277 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.998 -2.388 -14.606 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.744 -1.830 -13.090 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.972 -1.908 -13.234 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.926 -4.601 -14.730 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.853 -4.220 -13.362 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.888 -5.666 -13.306 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.497 -5.526 -8.469 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.139 -5.621 -7.056 1.00 0.00 C ATOM 1264 C LEU A 84 -9.022 -7.079 -6.634 1.00 0.00 C ATOM 1265 O LEU A 84 -8.790 -7.386 -5.465 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.189 -4.912 -6.200 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.236 -3.401 -6.386 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.591 -2.851 -5.967 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.117 -2.730 -5.602 1.00 0.00 C ATOM 0 H LEU A 84 -10.486 -5.684 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.174 -5.137 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.170 -5.325 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.993 -5.131 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.091 -3.181 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.604 -1.770 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.372 -3.306 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.769 -3.083 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.167 -1.651 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.228 -2.959 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.154 -3.099 -5.954 1.00 0.00 H new ATOM 1281 N SER A 85 -9.218 -7.968 -7.601 1.00 0.00 N ATOM 1282 CA SER A 85 -9.170 -9.410 -7.355 1.00 0.00 C ATOM 1283 C SER A 85 -7.744 -9.918 -7.138 1.00 0.00 C ATOM 1284 O SER A 85 -7.322 -10.899 -7.753 1.00 0.00 O ATOM 1285 CB SER A 85 -9.827 -10.168 -8.509 1.00 0.00 C ATOM 1286 OG SER A 85 -10.582 -11.269 -8.033 1.00 0.00 O ATOM 0 H SER A 85 -9.413 -7.716 -8.570 1.00 0.00 H new ATOM 0 HA SER A 85 -9.724 -9.595 -6.435 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.475 -9.494 -9.069 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.061 -10.520 -9.200 1.00 0.00 H new ATOM 0 HG SER A 85 -10.993 -11.736 -8.790 1.00 0.00 H new ATOM 1292 N SER A 86 -7.019 -9.241 -6.257 1.00 0.00 N ATOM 1293 CA SER A 86 -5.641 -9.599 -5.927 1.00 0.00 C ATOM 1294 C SER A 86 -4.739 -9.283 -7.099 1.00 0.00 C ATOM 1295 O SER A 86 -3.765 -9.985 -7.371 1.00 0.00 O ATOM 1296 CB SER A 86 -5.533 -11.082 -5.554 1.00 0.00 C ATOM 1297 OG SER A 86 -5.262 -11.243 -4.173 1.00 0.00 O ATOM 0 H SER A 86 -7.368 -8.428 -5.750 1.00 0.00 H new ATOM 0 HA SER A 86 -5.326 -9.013 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.462 -11.592 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.742 -11.551 -6.140 1.00 0.00 H new ATOM 0 HG SER A 86 -5.894 -11.885 -3.788 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.106 -8.230 -7.804 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.384 -7.798 -8.980 1.00 0.00 C ATOM 1305 C ASP A 87 -3.929 -6.350 -8.838 1.00 0.00 C ATOM 1306 O ASP A 87 -4.756 -5.446 -8.715 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.314 -7.940 -10.174 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.602 -7.765 -11.501 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.745 -8.611 -11.831 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.902 -6.781 -12.211 1.00 0.00 O ATOM 0 H ASP A 87 -5.914 -7.651 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.492 -8.410 -9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.784 -8.923 -10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.113 -7.202 -10.096 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.618 -6.125 -8.855 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.087 -4.774 -8.728 1.00 0.00 C ATOM 1317 C ILE A 88 -1.821 -4.151 -10.087 1.00 0.00 C ATOM 1318 O ILE A 88 -1.531 -2.962 -10.175 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.781 -4.731 -7.912 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.002 -6.036 -8.068 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.084 -4.452 -6.451 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.503 -5.849 -7.999 1.00 0.00 C ATOM 0 H ILE A 88 -1.911 -6.854 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.853 -4.205 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.160 -3.922 -8.296 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.306 -6.731 -7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.256 -6.494 -9.023 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.153 -4.424 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.592 -3.492 -6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.725 -5.240 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.996 -6.814 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.823 -5.178 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.772 -5.420 -7.034 1.00 0.00 H new ATOM 1334 N THR A 89 -1.913 -4.955 -11.144 1.00 0.00 N ATOM 1335 CA THR A 89 -1.677 -4.456 -12.492 1.00 0.00 C ATOM 1336 C THR A 89 -2.403 -3.137 -12.707 1.00 0.00 C ATOM 1337 O THR A 89 -1.816 -2.166 -13.179 1.00 0.00 O ATOM 1338 CB THR A 89 -2.136 -5.466 -13.559 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.971 -6.804 -13.073 1.00 0.00 O ATOM 1340 CG2 THR A 89 -1.348 -5.289 -14.848 1.00 0.00 C ATOM 0 H THR A 89 -2.147 -5.946 -11.092 1.00 0.00 H new ATOM 0 HA THR A 89 -0.602 -4.305 -12.596 1.00 0.00 H new ATOM 0 HB THR A 89 -3.190 -5.284 -13.768 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.267 -7.440 -13.758 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.691 -6.014 -15.586 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.500 -4.280 -15.232 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.288 -5.446 -14.651 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.684 -3.112 -12.356 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.496 -1.925 -12.500 1.00 0.00 C ATOM 1350 C ALA A 90 -4.038 -0.817 -11.560 1.00 0.00 C ATOM 1351 O ALA A 90 -3.939 0.344 -11.955 1.00 0.00 O ATOM 1352 CB ALA A 90 -5.952 -2.252 -12.241 1.00 0.00 C ATOM 0 H ALA A 90 -4.180 -3.913 -11.966 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.382 -1.568 -13.523 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.553 -1.350 -12.353 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.289 -3.003 -12.956 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.063 -2.639 -11.228 1.00 0.00 H new ATOM 1358 N SER A 91 -3.758 -1.186 -10.313 1.00 0.00 N ATOM 1359 CA SER A 91 -3.307 -0.222 -9.316 1.00 0.00 C ATOM 1360 C SER A 91 -2.009 0.426 -9.763 1.00 0.00 C ATOM 1361 O SER A 91 -1.745 1.594 -9.469 1.00 0.00 O ATOM 1362 CB SER A 91 -3.113 -0.908 -7.962 1.00 0.00 C ATOM 1363 OG SER A 91 -1.799 -1.425 -7.833 1.00 0.00 O ATOM 0 H SER A 91 -3.835 -2.144 -9.970 1.00 0.00 H new ATOM 0 HA SER A 91 -4.068 0.551 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.307 -0.196 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.837 -1.716 -7.854 1.00 0.00 H new ATOM 0 HG SER A 91 -1.598 -2.002 -8.599 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.211 -0.340 -10.485 1.00 0.00 N ATOM 1370 CA VAL A 92 0.053 0.162 -10.982 1.00 0.00 C ATOM 1371 C VAL A 92 -0.109 0.802 -12.343 1.00 0.00 C ATOM 1372 O VAL A 92 0.629 1.713 -12.684 1.00 0.00 O ATOM 1373 CB VAL A 92 1.139 -0.923 -11.069 1.00 0.00 C ATOM 1374 CG1 VAL A 92 2.363 -0.371 -11.791 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.506 -1.427 -9.681 1.00 0.00 C ATOM 0 H VAL A 92 -1.416 -1.307 -10.738 1.00 0.00 H new ATOM 0 HA VAL A 92 0.377 0.907 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 92 0.751 -1.768 -11.637 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.130 -1.144 -11.850 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.082 -0.060 -12.797 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.753 0.486 -11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.276 -2.194 -9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.883 -0.599 -9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.623 -1.850 -9.202 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.073 0.339 -13.121 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.303 0.904 -14.419 1.00 0.00 C ATOM 1387 C ASN A 93 -1.765 2.336 -14.259 1.00 0.00 C ATOM 1388 O ASN A 93 -1.288 3.251 -14.937 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.324 0.077 -15.175 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.431 0.910 -15.790 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.515 1.042 -15.221 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.164 1.479 -16.960 1.00 0.00 N ATOM 0 H ASN A 93 -1.701 -0.424 -12.868 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.379 0.896 -14.997 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.818 -0.481 -15.963 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.763 -0.655 -14.497 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.871 2.051 -17.422 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.252 1.344 -17.397 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.685 2.518 -13.324 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.213 3.829 -13.026 1.00 0.00 C ATOM 1401 C CYS A 94 -2.119 4.689 -12.416 1.00 0.00 C ATOM 1402 O CYS A 94 -1.912 5.829 -12.831 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.400 3.721 -12.072 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.654 5.012 -12.324 1.00 0.00 S ATOM 0 H CYS A 94 -3.080 1.766 -12.759 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.560 4.293 -13.949 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.867 2.744 -12.195 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.037 3.774 -11.046 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.409 4.137 -11.427 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.337 4.882 -10.786 1.00 0.00 C ATOM 1411 C ALA A 95 0.794 5.111 -11.767 1.00 0.00 C ATOM 1412 O ALA A 95 1.457 6.136 -11.724 1.00 0.00 O ATOM 1413 CB ALA A 95 0.167 4.184 -9.547 1.00 0.00 C ATOM 0 H ALA A 95 -1.557 3.196 -11.063 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.739 5.846 -10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.967 4.773 -9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.649 4.076 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.548 3.198 -9.814 1.00 0.00 H new ATOM 1419 N LYS A 96 0.995 4.158 -12.672 1.00 0.00 N ATOM 1420 CA LYS A 96 2.030 4.296 -13.685 1.00 0.00 C ATOM 1421 C LYS A 96 1.787 5.619 -14.392 1.00 0.00 C ATOM 1422 O LYS A 96 2.707 6.378 -14.705 1.00 0.00 O ATOM 1423 CB LYS A 96 1.971 3.145 -14.693 1.00 0.00 C ATOM 1424 CG LYS A 96 3.007 3.253 -15.801 1.00 0.00 C ATOM 1425 CD LYS A 96 3.975 2.082 -15.776 1.00 0.00 C ATOM 1426 CE LYS A 96 3.627 1.048 -16.835 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.385 -0.295 -16.241 1.00 0.00 N ATOM 0 H LYS A 96 0.460 3.291 -12.723 1.00 0.00 H new ATOM 0 HA LYS A 96 3.016 4.270 -13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.113 2.202 -14.164 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.977 3.114 -15.138 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.505 3.290 -16.768 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.560 4.186 -15.693 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.990 2.444 -15.939 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.958 1.615 -14.791 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.739 1.370 -17.379 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.438 0.983 -17.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.151 -0.971 -16.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.241 -0.614 -15.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.594 -0.240 -15.568 1.00 0.00 H new ATOM 1441 N LYS A 97 0.500 5.885 -14.587 1.00 0.00 N ATOM 1442 CA LYS A 97 0.042 7.116 -15.208 1.00 0.00 C ATOM 1443 C LYS A 97 0.078 8.247 -14.190 1.00 0.00 C ATOM 1444 O LYS A 97 0.252 9.412 -14.546 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.371 6.947 -15.767 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.599 7.682 -17.077 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.703 7.032 -17.896 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.362 8.030 -18.834 1.00 0.00 C ATOM 1449 NZ LYS A 97 -2.446 8.449 -19.931 1.00 0.00 N ATOM 0 H LYS A 97 -0.253 5.251 -14.318 1.00 0.00 H new ATOM 0 HA LYS A 97 0.706 7.360 -16.037 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.569 5.886 -15.916 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.090 7.305 -15.030 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.860 8.720 -16.872 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.675 7.693 -17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.290 6.206 -18.474 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.453 6.610 -17.227 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.262 7.587 -19.261 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.676 8.907 -18.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.933 9.130 -20.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.599 8.895 -19.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.166 7.616 -20.487 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.069 7.889 -12.915 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.032 8.871 -11.842 1.00 0.00 C ATOM 1465 C ILE A 98 1.373 9.460 -11.720 1.00 0.00 C ATOM 1466 O ILE A 98 1.558 10.677 -11.694 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.466 8.265 -10.492 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.965 7.923 -10.521 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.161 9.229 -9.353 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.439 7.169 -9.297 1.00 0.00 C ATOM 0 H ILE A 98 -0.214 6.928 -12.605 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.740 9.660 -12.094 1.00 0.00 H new ATOM 0 HB ILE A 98 0.097 7.347 -10.325 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.538 8.846 -10.613 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.176 7.327 -11.409 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.474 8.786 -8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.910 9.430 -9.323 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.701 10.163 -9.512 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.505 6.962 -9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.893 6.229 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.260 7.772 -8.407 1.00 0.00 H new ATOM 1482 N VAL A 99 2.352 8.567 -11.643 1.00 0.00 N ATOM 1483 CA VAL A 99 3.751 8.951 -11.517 1.00 0.00 C ATOM 1484 C VAL A 99 4.291 9.523 -12.826 1.00 0.00 C ATOM 1485 O VAL A 99 5.274 10.263 -12.828 1.00 0.00 O ATOM 1486 CB VAL A 99 4.624 7.765 -11.069 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.981 6.868 -12.245 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.879 8.267 -10.369 1.00 0.00 C ATOM 0 H VAL A 99 2.198 7.559 -11.666 1.00 0.00 H new ATOM 0 HA VAL A 99 3.798 9.725 -10.751 1.00 0.00 H new ATOM 0 HB VAL A 99 4.048 7.167 -10.362 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.598 6.040 -11.897 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.068 6.477 -12.694 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.533 7.444 -12.988 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.487 7.417 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.452 8.892 -11.054 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.598 8.852 -9.493 1.00 0.00 H new ATOM 1498 N SER A 100 3.633 9.190 -13.935 1.00 0.00 N ATOM 1499 CA SER A 100 4.047 9.692 -15.241 1.00 0.00 C ATOM 1500 C SER A 100 3.438 11.068 -15.496 1.00 0.00 C ATOM 1501 O SER A 100 3.944 11.846 -16.304 1.00 0.00 O ATOM 1502 CB SER A 100 3.626 8.721 -16.345 1.00 0.00 C ATOM 1503 OG SER A 100 4.223 9.067 -17.584 1.00 0.00 O ATOM 0 H SER A 100 2.817 8.579 -13.955 1.00 0.00 H new ATOM 0 HA SER A 100 5.133 9.780 -15.248 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.913 7.706 -16.070 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.541 8.729 -16.446 1.00 0.00 H new ATOM 0 HG SER A 100 3.939 8.430 -18.273 1.00 0.00 H new ATOM 1509 N ASP A 101 2.347 11.355 -14.793 1.00 0.00 N ATOM 1510 CA ASP A 101 1.657 12.635 -14.928 1.00 0.00 C ATOM 1511 C ASP A 101 2.326 13.707 -14.074 1.00 0.00 C ATOM 1512 O ASP A 101 1.972 14.884 -14.148 1.00 0.00 O ATOM 1513 CB ASP A 101 0.187 12.491 -14.530 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.654 13.666 -14.989 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.799 13.848 -16.217 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.167 14.404 -14.122 1.00 0.00 O ATOM 0 H ASP A 101 1.920 10.717 -14.122 1.00 0.00 H new ATOM 0 HA ASP A 101 1.714 12.941 -15.972 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.214 11.572 -14.957 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.114 12.397 -13.446 1.00 0.00 H new ATOM 1521 N GLY A 102 3.295 13.290 -13.263 1.00 0.00 N ATOM 1522 CA GLY A 102 3.999 14.226 -12.406 1.00 0.00 C ATOM 1523 C GLY A 102 3.669 14.036 -10.938 1.00 0.00 C ATOM 1524 O GLY A 102 3.244 14.974 -10.264 1.00 0.00 O ATOM 0 H GLY A 102 3.604 12.321 -13.185 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.073 14.108 -12.551 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.747 15.244 -12.702 1.00 0.00 H new ATOM 1528 N ASN A 103 3.865 12.817 -10.444 1.00 0.00 N ATOM 1529 CA ASN A 103 3.587 12.503 -9.046 1.00 0.00 C ATOM 1530 C ASN A 103 4.392 11.289 -8.594 1.00 0.00 C ATOM 1531 O ASN A 103 3.987 10.148 -8.813 1.00 0.00 O ATOM 1532 CB ASN A 103 2.092 12.243 -8.848 1.00 0.00 C ATOM 1533 CG ASN A 103 1.320 13.508 -8.530 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.345 13.997 -7.401 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.630 14.046 -9.528 1.00 0.00 N ATOM 0 H ASN A 103 4.215 12.030 -10.991 1.00 0.00 H new ATOM 0 HA ASN A 103 3.882 13.359 -8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.683 11.789 -9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.955 11.525 -8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.092 14.899 -9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.638 13.607 -10.448 1.00 0.00 H new ATOM 1542 N GLY A 104 5.530 11.542 -7.957 1.00 0.00 N ATOM 1543 CA GLY A 104 6.370 10.459 -7.482 1.00 0.00 C ATOM 1544 C GLY A 104 5.788 9.767 -6.266 1.00 0.00 C ATOM 1545 O GLY A 104 4.574 9.609 -6.158 1.00 0.00 O ATOM 0 H GLY A 104 5.886 12.478 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.505 9.730 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.358 10.850 -7.236 1.00 0.00 H new ATOM 1549 N MET A 105 6.656 9.370 -5.341 1.00 0.00 N ATOM 1550 CA MET A 105 6.228 8.708 -4.122 1.00 0.00 C ATOM 1551 C MET A 105 5.700 9.738 -3.145 1.00 0.00 C ATOM 1552 O MET A 105 5.266 9.408 -2.041 1.00 0.00 O ATOM 1553 CB MET A 105 7.397 7.950 -3.490 1.00 0.00 C ATOM 1554 CG MET A 105 8.416 7.448 -4.496 1.00 0.00 C ATOM 1555 SD MET A 105 7.698 6.321 -5.705 1.00 0.00 S ATOM 1556 CE MET A 105 6.620 5.357 -4.653 1.00 0.00 C ATOM 0 H MET A 105 7.665 9.498 -5.417 1.00 0.00 H new ATOM 0 HA MET A 105 5.439 7.996 -4.365 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.897 8.603 -2.775 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.007 7.102 -2.928 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.858 8.298 -5.015 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.224 6.942 -3.968 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.450 4.380 -5.104 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.085 5.229 -3.675 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.667 5.874 -4.537 1.00 0.00 H new ATOM 1566 N ASN A 106 5.750 10.993 -3.566 1.00 0.00 N ATOM 1567 CA ASN A 106 5.291 12.096 -2.748 1.00 0.00 C ATOM 1568 C ASN A 106 3.769 12.123 -2.684 1.00 0.00 C ATOM 1569 O ASN A 106 3.190 12.421 -1.639 1.00 0.00 O ATOM 1570 CB ASN A 106 5.820 13.407 -3.324 1.00 0.00 C ATOM 1571 CG ASN A 106 7.136 13.228 -4.055 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.177 13.005 -3.437 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.095 13.325 -5.379 1.00 0.00 N ATOM 0 H ASN A 106 6.108 11.270 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 106 5.669 11.967 -1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.081 13.824 -4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.951 14.128 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.949 13.213 -5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.209 13.511 -5.850 1.00 0.00 H new ATOM 1580 N ALA A 107 3.127 11.806 -3.808 1.00 0.00 N ATOM 1581 CA ALA A 107 1.669 11.791 -3.875 1.00 0.00 C ATOM 1582 C ALA A 107 1.091 10.967 -2.733 1.00 0.00 C ATOM 1583 O ALA A 107 0.193 11.416 -2.019 1.00 0.00 O ATOM 1584 CB ALA A 107 1.207 11.239 -5.215 1.00 0.00 C ATOM 0 H ALA A 107 3.593 11.557 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 107 1.308 12.815 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.118 11.234 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.593 11.865 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.579 10.222 -5.337 1.00 0.00 H new ATOM 1590 N TRP A 108 1.622 9.762 -2.559 1.00 0.00 N ATOM 1591 CA TRP A 108 1.175 8.875 -1.497 1.00 0.00 C ATOM 1592 C TRP A 108 1.815 9.293 -0.170 1.00 0.00 C ATOM 1593 O TRP A 108 3.033 9.438 -0.073 1.00 0.00 O ATOM 1594 CB TRP A 108 1.504 7.424 -1.858 1.00 0.00 C ATOM 1595 CG TRP A 108 0.857 6.989 -3.145 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.411 6.504 -3.301 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.439 7.012 -4.456 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.651 6.222 -4.627 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.468 6.525 -5.357 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.686 7.394 -4.956 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.709 6.415 -6.730 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.922 7.284 -6.315 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.939 6.799 -7.187 1.00 0.00 C ATOM 0 H TRP A 108 2.365 9.378 -3.143 1.00 0.00 H new ATOM 0 HA TRP A 108 0.094 8.950 -1.382 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.585 7.310 -1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.176 6.769 -1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.122 6.362 -2.500 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.521 5.848 -5.005 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.452 7.769 -4.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.048 6.041 -7.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.883 7.578 -6.711 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.157 6.727 -8.242 1.00 0.00 H new ATOM 1614 N VAL A 109 0.971 9.529 0.832 1.00 0.00 N ATOM 1615 CA VAL A 109 1.422 9.988 2.148 1.00 0.00 C ATOM 1616 C VAL A 109 2.130 8.917 2.969 1.00 0.00 C ATOM 1617 O VAL A 109 2.952 9.239 3.828 1.00 0.00 O ATOM 1618 CB VAL A 109 0.258 10.522 2.978 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.670 11.772 3.740 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.967 10.794 2.114 1.00 0.00 C ATOM 0 H VAL A 109 -0.039 9.409 0.758 1.00 0.00 H new ATOM 0 HA VAL A 109 2.141 10.778 1.930 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.014 9.752 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.174 12.136 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.499 11.535 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.982 12.542 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.776 11.173 2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.719 11.534 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.284 9.870 1.631 1.00 0.00 H new ATOM 1630 N ALA A 110 1.819 7.653 2.725 1.00 0.00 N ATOM 1631 CA ALA A 110 2.446 6.569 3.477 1.00 0.00 C ATOM 1632 C ALA A 110 3.941 6.501 3.203 1.00 0.00 C ATOM 1633 O ALA A 110 4.695 5.897 3.966 1.00 0.00 O ATOM 1634 CB ALA A 110 1.784 5.243 3.148 1.00 0.00 C ATOM 0 H ALA A 110 1.145 7.351 2.021 1.00 0.00 H new ATOM 0 HA ALA A 110 2.309 6.774 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.263 4.446 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.727 5.290 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.886 5.040 2.082 1.00 0.00 H new ATOM 1640 N TRP A 111 4.364 7.132 2.119 1.00 0.00 N ATOM 1641 CA TRP A 111 5.773 7.145 1.766 1.00 0.00 C ATOM 1642 C TRP A 111 6.470 8.352 2.384 1.00 0.00 C ATOM 1643 O TRP A 111 7.629 8.264 2.786 1.00 0.00 O ATOM 1644 CB TRP A 111 5.966 7.128 0.247 1.00 0.00 C ATOM 1645 CG TRP A 111 7.407 7.147 -0.166 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.186 6.067 -0.467 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.244 8.302 -0.319 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.455 6.479 -0.800 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.515 7.846 -0.718 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.041 9.676 -0.161 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.576 8.715 -0.959 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.096 10.536 -0.401 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.349 10.053 -0.795 1.00 0.00 C ATOM 0 H TRP A 111 3.757 7.638 1.474 1.00 0.00 H new ATOM 0 HA TRP A 111 6.227 6.240 2.169 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.489 6.238 -0.163 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.459 7.990 -0.187 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.854 5.039 -0.447 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.227 5.867 -1.065 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.078 10.058 0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.544 8.345 -1.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.951 11.600 -0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.153 10.752 -0.973 1.00 0.00 H new ATOM 1664 N ARG A 112 5.765 9.477 2.483 1.00 0.00 N ATOM 1665 CA ARG A 112 6.335 10.678 3.082 1.00 0.00 C ATOM 1666 C ARG A 112 5.993 10.755 4.566 1.00 0.00 C ATOM 1667 O ARG A 112 5.636 11.817 5.076 1.00 0.00 O ATOM 1668 CB ARG A 112 5.802 11.914 2.378 1.00 0.00 C ATOM 1669 CG ARG A 112 6.798 12.555 1.425 1.00 0.00 C ATOM 1670 CD ARG A 112 6.337 13.935 0.985 1.00 0.00 C ATOM 1671 NE ARG A 112 7.462 14.827 0.712 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.437 16.137 0.936 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.348 16.706 1.436 1.00 0.00 N ATOM 1674 NH2 ARG A 112 8.500 16.879 0.662 1.00 0.00 N ATOM 0 H ARG A 112 4.804 9.580 2.158 1.00 0.00 H new ATOM 0 HA ARG A 112 7.418 10.633 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.903 11.645 1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.506 12.648 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.770 12.633 1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.929 11.918 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.722 13.843 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.708 14.372 1.761 1.00 0.00 H new ATOM 0 HE ARG A 112 8.315 14.421 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.528 16.138 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.331 17.711 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 112 9.340 16.445 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.479 17.884 0.835 1.00 0.00 H new ATOM 1688 N ASN A 113 6.111 9.633 5.253 1.00 0.00 N ATOM 1689 CA ASN A 113 5.819 9.584 6.680 1.00 0.00 C ATOM 1690 C ASN A 113 6.652 8.512 7.366 1.00 0.00 C ATOM 1691 O ASN A 113 7.515 8.809 8.192 1.00 0.00 O ATOM 1692 CB ASN A 113 4.330 9.315 6.909 1.00 0.00 C ATOM 1693 CG ASN A 113 3.716 10.275 7.909 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.224 10.444 9.017 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.616 10.910 7.522 1.00 0.00 N ATOM 0 H ASN A 113 6.406 8.744 4.850 1.00 0.00 H new ATOM 0 HA ASN A 113 6.076 10.551 7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.799 9.394 5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.199 8.293 7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.158 11.568 8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.229 10.740 6.594 1.00 0.00 H new ATOM 1702 N ARG A 114 6.378 7.263 7.020 1.00 0.00 N ATOM 1703 CA ARG A 114 7.088 6.134 7.598 1.00 0.00 C ATOM 1704 C ARG A 114 8.175 5.621 6.661 1.00 0.00 C ATOM 1705 O ARG A 114 8.833 4.621 6.949 1.00 0.00 O ATOM 1706 CB ARG A 114 6.104 5.010 7.908 1.00 0.00 C ATOM 1707 CG ARG A 114 5.526 5.074 9.312 1.00 0.00 C ATOM 1708 CD ARG A 114 4.009 5.155 9.285 1.00 0.00 C ATOM 1709 NE ARG A 114 3.532 6.530 9.406 1.00 0.00 N ATOM 1710 CZ ARG A 114 2.649 6.929 10.317 1.00 0.00 C ATOM 1711 NH1 ARG A 114 2.148 6.059 11.185 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.266 8.198 10.361 1.00 0.00 N ATOM 0 H ARG A 114 5.665 7.006 6.338 1.00 0.00 H new ATOM 0 HA ARG A 114 7.566 6.471 8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.288 5.045 7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.607 4.052 7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.835 4.193 9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.929 5.942 9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.639 4.724 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.599 4.556 10.099 1.00 0.00 H new ATOM 0 HE ARG A 114 3.897 7.224 8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.440 5.082 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.471 6.367 11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.649 8.870 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 114 1.589 8.502 11.060 1.00 0.00 H new ATOM 1726 N CYS A 115 8.352 6.298 5.532 1.00 0.00 N ATOM 1727 CA CYS A 115 9.350 5.888 4.553 1.00 0.00 C ATOM 1728 C CYS A 115 10.443 6.936 4.380 1.00 0.00 C ATOM 1729 O CYS A 115 11.629 6.604 4.359 1.00 0.00 O ATOM 1730 CB CYS A 115 8.682 5.600 3.212 1.00 0.00 C ATOM 1731 SG CYS A 115 7.777 4.024 3.173 1.00 0.00 S ATOM 0 H CYS A 115 7.820 7.129 5.273 1.00 0.00 H new ATOM 0 HA CYS A 115 9.822 4.979 4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.993 6.411 2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.442 5.592 2.431 1.00 0.00 H new ATOM 1736 N LYS A 116 10.048 8.199 4.249 1.00 0.00 N ATOM 1737 CA LYS A 116 11.011 9.279 4.073 1.00 0.00 C ATOM 1738 C LYS A 116 11.897 9.426 5.304 1.00 0.00 C ATOM 1739 O LYS A 116 11.588 10.194 6.216 1.00 0.00 O ATOM 1740 CB LYS A 116 10.284 10.596 3.792 1.00 0.00 C ATOM 1741 CG LYS A 116 11.084 11.560 2.930 1.00 0.00 C ATOM 1742 CD LYS A 116 10.557 12.981 3.048 1.00 0.00 C ATOM 1743 CE LYS A 116 11.674 14.003 2.911 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.265 13.999 1.545 1.00 0.00 N ATOM 0 H LYS A 116 9.073 8.498 4.261 1.00 0.00 H new ATOM 0 HA LYS A 116 11.645 9.032 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.337 10.380 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.047 11.080 4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.132 11.533 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.041 11.240 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.806 13.156 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.062 13.108 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.287 14.997 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.452 13.791 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.023 14.709 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.658 13.058 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.528 14.227 0.847 1.00 0.00 H new ATOM 1758 N GLY A 117 13.002 8.686 5.324 1.00 0.00 N ATOM 1759 CA GLY A 117 13.915 8.753 6.449 1.00 0.00 C ATOM 1760 C GLY A 117 14.581 7.424 6.750 1.00 0.00 C ATOM 1761 O GLY A 117 15.423 7.339 7.643 1.00 0.00 O ATOM 0 H GLY A 117 13.280 8.043 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.682 9.500 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.371 9.089 7.332 1.00 0.00 H new ATOM 1765 N THR A 118 14.209 6.382 6.009 1.00 0.00 N ATOM 1766 CA THR A 118 14.784 5.058 6.213 1.00 0.00 C ATOM 1767 C THR A 118 15.518 4.582 4.960 1.00 0.00 C ATOM 1768 O THR A 118 16.078 5.389 4.218 1.00 0.00 O ATOM 1769 CB THR A 118 13.700 4.030 6.590 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.684 3.997 5.582 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.076 4.371 7.935 1.00 0.00 C ATOM 0 H THR A 118 13.514 6.431 5.264 1.00 0.00 H new ATOM 0 HA THR A 118 15.494 5.139 7.036 1.00 0.00 H new ATOM 0 HB THR A 118 14.170 3.049 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.000 3.340 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.314 3.632 8.180 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.847 4.367 8.705 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.620 5.360 7.884 1.00 0.00 H new ATOM 1779 N ASP A 119 15.516 3.270 4.726 1.00 0.00 N ATOM 1780 CA ASP A 119 16.188 2.704 3.562 1.00 0.00 C ATOM 1781 C ASP A 119 15.315 1.671 2.852 1.00 0.00 C ATOM 1782 O ASP A 119 15.043 0.598 3.390 1.00 0.00 O ATOM 1783 CB ASP A 119 17.500 2.076 3.967 1.00 0.00 C ATOM 1784 CG ASP A 119 18.538 2.134 2.865 1.00 0.00 C ATOM 1785 OD1 ASP A 119 19.199 3.186 2.727 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.693 1.129 2.139 1.00 0.00 O ATOM 0 H ASP A 119 15.058 2.584 5.326 1.00 0.00 H new ATOM 0 HA ASP A 119 16.377 3.520 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.885 2.585 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.330 1.036 4.247 1.00 0.00 H new ATOM 1791 N VAL A 120 14.887 2.005 1.638 1.00 0.00 N ATOM 1792 CA VAL A 120 14.053 1.116 0.842 1.00 0.00 C ATOM 1793 C VAL A 120 14.898 0.031 0.191 1.00 0.00 C ATOM 1794 O VAL A 120 14.425 -1.081 -0.045 1.00 0.00 O ATOM 1795 CB VAL A 120 13.292 1.889 -0.252 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.287 2.846 0.370 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.262 2.638 -1.154 1.00 0.00 C ATOM 0 H VAL A 120 15.107 2.891 1.183 1.00 0.00 H new ATOM 0 HA VAL A 120 13.329 0.660 1.517 1.00 0.00 H new ATOM 0 HB VAL A 120 12.746 1.170 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.760 3.383 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.570 2.283 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.810 3.559 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.704 3.177 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.839 3.346 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.938 1.928 -1.630 1.00 0.00 H new ATOM 1807 N GLN A 121 16.159 0.358 -0.084 1.00 0.00 N ATOM 1808 CA GLN A 121 17.075 -0.597 -0.689 1.00 0.00 C ATOM 1809 C GLN A 121 17.197 -1.819 0.208 1.00 0.00 C ATOM 1810 O GLN A 121 17.478 -2.925 -0.255 1.00 0.00 O ATOM 1811 CB GLN A 121 18.449 0.040 -0.905 1.00 0.00 C ATOM 1812 CG GLN A 121 19.198 -0.520 -2.103 1.00 0.00 C ATOM 1813 CD GLN A 121 20.357 0.360 -2.528 1.00 0.00 C ATOM 1814 OE1 GLN A 121 21.435 0.315 -1.935 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.141 1.166 -3.560 1.00 0.00 N ATOM 0 H GLN A 121 16.566 1.275 0.103 1.00 0.00 H new ATOM 0 HA GLN A 121 16.683 -0.899 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.325 1.115 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.053 -0.106 -0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.572 -1.515 -1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.507 -0.633 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.232 1.171 -4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.884 1.781 -3.891 1.00 0.00 H new ATOM 1824 N ALA A 122 16.965 -1.603 1.499 1.00 0.00 N ATOM 1825 CA ALA A 122 17.026 -2.673 2.482 1.00 0.00 C ATOM 1826 C ALA A 122 15.660 -3.328 2.639 1.00 0.00 C ATOM 1827 O ALA A 122 15.552 -4.450 3.133 1.00 0.00 O ATOM 1828 CB ALA A 122 17.519 -2.138 3.818 1.00 0.00 C ATOM 0 H ALA A 122 16.732 -0.689 1.888 1.00 0.00 H new ATOM 0 HA ALA A 122 17.731 -3.427 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.559 -2.951 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.515 -1.713 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.837 -1.367 4.175 1.00 0.00 H new ATOM 1834 N TRP A 123 14.615 -2.620 2.207 1.00 0.00 N ATOM 1835 CA TRP A 123 13.254 -3.145 2.294 1.00 0.00 C ATOM 1836 C TRP A 123 13.083 -4.363 1.392 1.00 0.00 C ATOM 1837 O TRP A 123 12.144 -5.143 1.558 1.00 0.00 O ATOM 1838 CB TRP A 123 12.234 -2.071 1.910 1.00 0.00 C ATOM 1839 CG TRP A 123 11.754 -1.249 3.072 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.544 0.098 3.082 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.421 -1.717 4.387 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.107 0.496 4.322 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.024 -0.604 5.135 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.418 -2.966 5.005 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.634 -0.711 6.463 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 11.030 -3.070 6.322 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.641 -1.946 7.040 1.00 0.00 C ATOM 0 H TRP A 123 14.685 -1.689 1.797 1.00 0.00 H new ATOM 0 HA TRP A 123 13.079 -3.446 3.327 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.679 -1.409 1.168 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.377 -2.550 1.437 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.698 0.755 2.239 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.881 1.453 4.593 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.718 -3.846 4.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.333 0.161 7.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.028 -4.037 6.803 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.339 -2.052 8.072 1.00 0.00 H new ATOM 1858 N ILE A 124 13.996 -4.520 0.438 1.00 0.00 N ATOM 1859 CA ILE A 124 13.944 -5.643 -0.490 1.00 0.00 C ATOM 1860 C ILE A 124 15.254 -6.425 -0.485 1.00 0.00 C ATOM 1861 O ILE A 124 15.464 -7.307 -1.317 1.00 0.00 O ATOM 1862 CB ILE A 124 13.648 -5.172 -1.928 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.641 -4.087 -2.348 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.219 -4.660 -2.032 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.051 -4.175 -3.802 1.00 0.00 C ATOM 0 H ILE A 124 14.779 -3.884 0.288 1.00 0.00 H new ATOM 0 HA ILE A 124 13.135 -6.292 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 124 13.760 -6.020 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.198 -3.109 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.531 -4.158 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.024 -4.331 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.526 -5.460 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.082 -3.822 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.756 -3.376 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.523 -5.139 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.170 -4.073 -4.435 1.00 0.00 H new ATOM 1877 N ARG A 125 16.131 -6.096 0.458 1.00 0.00 N ATOM 1878 CA ARG A 125 17.421 -6.768 0.571 1.00 0.00 C ATOM 1879 C ARG A 125 17.240 -8.229 0.970 1.00 0.00 C ATOM 1880 O ARG A 125 16.932 -8.535 2.122 1.00 0.00 O ATOM 1881 CB ARG A 125 18.304 -6.053 1.595 1.00 0.00 C ATOM 1882 CG ARG A 125 19.722 -5.805 1.106 1.00 0.00 C ATOM 1883 CD ARG A 125 20.692 -5.651 2.265 1.00 0.00 C ATOM 1884 NE ARG A 125 21.163 -6.942 2.761 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.444 -7.184 4.037 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.301 -6.228 4.945 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.868 -8.385 4.408 1.00 0.00 N ATOM 0 H ARG A 125 15.972 -5.368 1.155 1.00 0.00 H new ATOM 0 HA ARG A 125 17.907 -6.734 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.846 -5.099 1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.342 -6.647 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.039 -6.633 0.472 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.744 -4.906 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.545 -5.052 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.206 -5.107 3.075 1.00 0.00 H new ATOM 0 HE ARG A 125 21.283 -7.701 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.974 -5.303 4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.518 -6.418 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.979 -9.124 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.083 -8.570 5.388 1.00 0.00 H new ATOM 1901 N GLY A 126 17.435 -9.128 0.009 1.00 0.00 N ATOM 1902 CA GLY A 126 17.290 -10.547 0.278 1.00 0.00 C ATOM 1903 C GLY A 126 16.044 -11.133 -0.357 1.00 0.00 C ATOM 1904 O GLY A 126 15.800 -12.336 -0.268 1.00 0.00 O ATOM 0 H GLY A 126 17.691 -8.898 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.167 -11.076 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.255 -10.708 1.356 1.00 0.00 H new ATOM 1908 N CYS A 127 15.254 -10.278 -0.998 1.00 0.00 N ATOM 1909 CA CYS A 127 14.027 -10.709 -1.650 1.00 0.00 C ATOM 1910 C CYS A 127 14.320 -11.616 -2.840 1.00 0.00 C ATOM 1911 O CYS A 127 15.076 -11.253 -3.741 1.00 0.00 O ATOM 1912 CB CYS A 127 13.223 -9.504 -2.093 1.00 0.00 C ATOM 1913 SG CYS A 127 12.028 -8.910 -0.853 1.00 0.00 S ATOM 0 H CYS A 127 15.444 -9.279 -1.079 1.00 0.00 H new ATOM 0 HA CYS A 127 13.444 -11.282 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.909 -8.693 -2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.686 -9.755 -3.008 1.00 0.00 H new ATOM 1918 N ARG A 128 13.715 -12.799 -2.834 1.00 0.00 N ATOM 1919 CA ARG A 128 13.907 -13.762 -3.911 1.00 0.00 C ATOM 1920 C ARG A 128 12.967 -13.471 -5.075 1.00 0.00 C ATOM 1921 O ARG A 128 11.801 -13.866 -5.059 1.00 0.00 O ATOM 1922 CB ARG A 128 13.679 -15.186 -3.399 1.00 0.00 C ATOM 1923 CG ARG A 128 14.668 -16.198 -3.955 1.00 0.00 C ATOM 1924 CD ARG A 128 14.881 -17.355 -2.992 1.00 0.00 C ATOM 1925 NE ARG A 128 14.905 -18.642 -3.682 1.00 0.00 N ATOM 1926 CZ ARG A 128 14.758 -19.812 -3.067 1.00 0.00 C ATOM 1927 NH1 ARG A 128 14.574 -19.856 -1.754 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.792 -20.939 -3.766 1.00 0.00 N ATOM 0 H ARG A 128 13.087 -13.114 -2.094 1.00 0.00 H new ATOM 0 HA ARG A 128 14.934 -13.672 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.744 -15.187 -2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.667 -15.499 -3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.303 -16.579 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.621 -15.707 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.820 -17.213 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.086 -17.358 -2.247 1.00 0.00 H new ATOM 0 HE ARG A 128 15.042 -18.644 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.545 -18.991 -1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.461 -20.755 -1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.931 -20.909 -4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.679 -21.836 -3.293 1.00 0.00 H new ATOM 1942 N LEU A 129 13.481 -12.774 -6.083 1.00 0.00 N ATOM 1943 CA LEU A 129 12.687 -12.426 -7.256 1.00 0.00 C ATOM 1944 C LEU A 129 13.566 -12.329 -8.499 1.00 0.00 C ATOM 1945 O LEU A 129 14.801 -12.233 -8.345 1.00 0.00 O ATOM 1946 CB LEU A 129 11.958 -11.102 -7.023 1.00 0.00 C ATOM 1947 CG LEU A 129 12.848 -9.857 -7.039 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.353 -8.860 -8.075 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.893 -9.217 -5.660 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.009 -12.350 -9.618 1.00 0.00 O ATOM 0 H LEU A 129 14.444 -12.439 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 129 11.952 -13.214 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.189 -10.989 -7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.447 -11.151 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 129 13.859 -10.160 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.998 -7.981 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.373 -9.321 -9.062 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.333 -8.562 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.530 -8.333 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.886 -8.928 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 129 13.295 -9.930 -4.941 1.00 0.00 H new