USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 756 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 40 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.874) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.125 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 175:sc= 0.415 (180deg=0.455) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= -0.0753 USER MOD Set 3.1: A 43 LYS NZ :NH3+ 137:sc= -1.75! (180deg=-2.78!) USER MOD Set 3.2: A 76 SER OG : rot -140:sc= -0.0257 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.72! C(o=-2.7!,f=-4.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.205 K(o=-0.21,f=-2!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 6:sc= 0.143 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-7.2!) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.0903 (180deg=-0.452) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.118 F(o=-1.3,f=-0.12) USER MOD Single : A 68 ASN : amide:sc= 0.588 K(o=0.59,f=-4.8!) USER MOD Single : A 69 ASN : amide:sc= -1.95 K(o=-2,f=-9.4!) USER MOD Single : A 70 CYS SG : rot 42:sc= -0.307 USER MOD Single : A 71 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.7!) USER MOD Single : A 72 MET CE :methyl -136:sc= -6.15 (180deg=-11.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc=-0.00839 USER MOD Single : A 79 TYR OH : rot 117:sc= 0.733 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot -170:sc= -3.5! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 88:sc= 0.978 USER MOD Single : A 95 SER OG : rot 45:sc= 0.576 USER MOD Single : A 98 SER OG : rot 20:sc= 1.13 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.822 -11.811 -25.309 1.00 0.00 N ATOM 2 CA GLY A 1 -12.117 -12.213 -23.946 1.00 0.00 C ATOM 3 C GLY A 1 -13.597 -12.145 -23.629 1.00 0.00 C ATOM 4 O GLY A 1 -14.160 -11.059 -23.493 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.797 -11.875 -25.476 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.320 -12.439 -25.972 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.136 -10.831 -25.458 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.761 -13.230 -23.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.571 -11.571 -23.255 1.00 0.00 H new ATOM 8 N SER A 2 -14.230 -13.308 -23.512 1.00 0.00 N ATOM 9 CA SER A 2 -15.656 -13.376 -23.214 1.00 0.00 C ATOM 10 C SER A 2 -15.891 -13.888 -21.796 1.00 0.00 C ATOM 11 O SER A 2 -16.731 -14.759 -21.570 1.00 0.00 O ATOM 12 CB SER A 2 -16.366 -14.283 -24.220 1.00 0.00 C ATOM 13 OG SER A 2 -16.377 -13.701 -25.512 1.00 0.00 O ATOM 0 H SER A 2 -13.778 -14.216 -23.619 1.00 0.00 H new ATOM 0 HA SER A 2 -16.066 -12.369 -23.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.866 -15.251 -24.258 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.389 -14.465 -23.891 1.00 0.00 H new ATOM 0 HG SER A 2 -16.835 -14.301 -26.137 1.00 0.00 H new ATOM 19 N SER A 3 -15.142 -13.341 -20.844 1.00 0.00 N ATOM 20 CA SER A 3 -15.265 -13.744 -19.448 1.00 0.00 C ATOM 21 C SER A 3 -15.871 -12.623 -18.610 1.00 0.00 C ATOM 22 O SER A 3 -15.159 -11.762 -18.096 1.00 0.00 O ATOM 23 CB SER A 3 -13.896 -14.134 -18.886 1.00 0.00 C ATOM 24 OG SER A 3 -13.938 -14.245 -17.473 1.00 0.00 O ATOM 0 H SER A 3 -14.443 -12.617 -21.014 1.00 0.00 H new ATOM 0 HA SER A 3 -15.929 -14.607 -19.402 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.578 -15.082 -19.319 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.155 -13.388 -19.174 1.00 0.00 H new ATOM 0 HG SER A 3 -13.052 -14.497 -17.138 1.00 0.00 H new ATOM 30 N GLY A 4 -17.194 -12.642 -18.477 1.00 0.00 N ATOM 31 CA GLY A 4 -17.876 -11.622 -17.701 1.00 0.00 C ATOM 32 C GLY A 4 -17.432 -10.220 -18.068 1.00 0.00 C ATOM 33 O GLY A 4 -17.059 -9.959 -19.212 1.00 0.00 O ATOM 0 H GLY A 4 -17.805 -13.345 -18.892 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.951 -11.711 -17.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.691 -11.792 -16.640 1.00 0.00 H new ATOM 37 N SER A 5 -17.472 -9.315 -17.095 1.00 0.00 N ATOM 38 CA SER A 5 -17.075 -7.930 -17.323 1.00 0.00 C ATOM 39 C SER A 5 -16.092 -7.464 -16.255 1.00 0.00 C ATOM 40 O SER A 5 -15.960 -8.088 -15.202 1.00 0.00 O ATOM 41 CB SER A 5 -18.305 -7.020 -17.333 1.00 0.00 C ATOM 42 OG SER A 5 -18.955 -7.028 -16.073 1.00 0.00 O ATOM 0 H SER A 5 -17.775 -9.516 -16.142 1.00 0.00 H new ATOM 0 HA SER A 5 -16.583 -7.874 -18.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.007 -6.002 -17.585 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.999 -7.350 -18.106 1.00 0.00 H new ATOM 0 HG SER A 5 -19.737 -6.438 -16.104 1.00 0.00 H new ATOM 48 N SER A 6 -15.403 -6.361 -16.533 1.00 0.00 N ATOM 49 CA SER A 6 -14.428 -5.812 -15.599 1.00 0.00 C ATOM 50 C SER A 6 -14.816 -4.398 -15.178 1.00 0.00 C ATOM 51 O SER A 6 -14.930 -3.499 -16.010 1.00 0.00 O ATOM 52 CB SER A 6 -13.034 -5.805 -16.229 1.00 0.00 C ATOM 53 OG SER A 6 -12.028 -5.950 -15.242 1.00 0.00 O ATOM 0 H SER A 6 -15.503 -5.830 -17.398 1.00 0.00 H new ATOM 0 HA SER A 6 -14.414 -6.446 -14.712 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.955 -6.615 -16.955 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.882 -4.873 -16.773 1.00 0.00 H new ATOM 0 HG SER A 6 -11.146 -5.944 -15.670 1.00 0.00 H new ATOM 59 N GLY A 7 -15.019 -4.209 -13.877 1.00 0.00 N ATOM 60 CA GLY A 7 -15.392 -2.902 -13.367 1.00 0.00 C ATOM 61 C GLY A 7 -14.191 -2.082 -12.940 1.00 0.00 C ATOM 62 O GLY A 7 -13.275 -1.853 -13.730 1.00 0.00 O ATOM 0 H GLY A 7 -14.932 -4.937 -13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.944 -2.360 -14.135 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.064 -3.025 -12.518 1.00 0.00 H new ATOM 66 N ALA A 8 -14.195 -1.636 -11.688 1.00 0.00 N ATOM 67 CA ALA A 8 -13.098 -0.837 -11.158 1.00 0.00 C ATOM 68 C ALA A 8 -13.276 -0.580 -9.666 1.00 0.00 C ATOM 69 O ALA A 8 -14.302 -0.054 -9.235 1.00 0.00 O ATOM 70 CB ALA A 8 -12.992 0.480 -11.913 1.00 0.00 C ATOM 0 H ALA A 8 -14.946 -1.815 -11.022 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.174 -1.398 -11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.168 1.067 -11.507 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.809 0.280 -12.969 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.923 1.037 -11.805 1.00 0.00 H new ATOM 76 N ALA A 9 -12.272 -0.957 -8.881 1.00 0.00 N ATOM 77 CA ALA A 9 -12.318 -0.766 -7.436 1.00 0.00 C ATOM 78 C ALA A 9 -11.274 0.248 -6.983 1.00 0.00 C ATOM 79 O ALA A 9 -11.470 0.958 -5.996 1.00 0.00 O ATOM 80 CB ALA A 9 -12.113 -2.094 -6.722 1.00 0.00 C ATOM 0 H ALA A 9 -11.417 -1.397 -9.221 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.302 -0.375 -7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.150 -1.937 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.900 -2.790 -7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.143 -2.508 -6.996 1.00 0.00 H new ATOM 86 N PHE A 10 -10.162 0.311 -7.709 1.00 0.00 N ATOM 87 CA PHE A 10 -9.085 1.237 -7.380 1.00 0.00 C ATOM 88 C PHE A 10 -9.140 2.473 -8.273 1.00 0.00 C ATOM 89 O PHE A 10 -9.042 2.374 -9.496 1.00 0.00 O ATOM 90 CB PHE A 10 -7.728 0.547 -7.527 1.00 0.00 C ATOM 91 CG PHE A 10 -7.390 -0.361 -6.379 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.915 0.158 -5.185 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.547 -1.733 -6.494 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.603 -0.676 -4.127 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.236 -2.571 -5.440 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.764 -2.042 -4.255 1.00 0.00 C ATOM 0 H PHE A 10 -9.984 -0.269 -8.529 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.213 1.552 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.721 -0.031 -8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.951 1.306 -7.620 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.787 1.225 -5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.917 -2.152 -7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.234 -0.260 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.362 -3.639 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.521 -2.695 -3.430 1.00 0.00 H new ATOM 106 N ALA A 11 -9.297 3.638 -7.652 1.00 0.00 N ATOM 107 CA ALA A 11 -9.363 4.894 -8.389 1.00 0.00 C ATOM 108 C ALA A 11 -7.966 5.428 -8.689 1.00 0.00 C ATOM 109 O ALA A 11 -7.778 6.222 -9.611 1.00 0.00 O ATOM 110 CB ALA A 11 -10.168 5.922 -7.609 1.00 0.00 C ATOM 0 H ALA A 11 -9.381 3.738 -6.640 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.862 4.704 -9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.209 6.855 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.180 5.549 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.693 6.100 -6.644 1.00 0.00 H new ATOM 116 N LYS A 12 -6.989 4.990 -7.903 1.00 0.00 N ATOM 117 CA LYS A 12 -5.608 5.423 -8.083 1.00 0.00 C ATOM 118 C LYS A 12 -4.635 4.358 -7.590 1.00 0.00 C ATOM 119 O LYS A 12 -4.479 4.156 -6.385 1.00 0.00 O ATOM 120 CB LYS A 12 -5.363 6.737 -7.338 1.00 0.00 C ATOM 121 CG LYS A 12 -4.088 7.446 -7.759 1.00 0.00 C ATOM 122 CD LYS A 12 -2.897 6.990 -6.933 1.00 0.00 C ATOM 123 CE LYS A 12 -2.880 7.656 -5.565 1.00 0.00 C ATOM 124 NZ LYS A 12 -2.347 9.045 -5.631 1.00 0.00 N ATOM 0 H LYS A 12 -7.128 4.334 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.439 5.579 -9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.210 7.402 -7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.320 6.536 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.895 7.253 -8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.217 8.523 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.930 5.907 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.974 7.223 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.891 7.674 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.271 7.065 -4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.352 9.464 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.373 9.026 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.943 9.616 -6.264 1.00 0.00 H new ATOM 138 N ILE A 13 -3.981 3.680 -8.528 1.00 0.00 N ATOM 139 CA ILE A 13 -3.021 2.638 -8.188 1.00 0.00 C ATOM 140 C ILE A 13 -1.687 3.239 -7.756 1.00 0.00 C ATOM 141 O ILE A 13 -1.326 4.340 -8.173 1.00 0.00 O ATOM 142 CB ILE A 13 -2.782 1.684 -9.373 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.172 2.443 -10.552 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.084 1.014 -9.784 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.292 1.585 -11.434 1.00 0.00 C ATOM 0 H ILE A 13 -4.099 3.834 -9.529 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.448 2.074 -7.359 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.080 0.910 -9.062 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.975 2.866 -11.156 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.585 3.279 -10.171 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.899 0.343 -10.623 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.481 0.444 -8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.807 1.774 -10.080 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.894 2.190 -12.249 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.468 1.183 -10.845 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.879 0.764 -11.845 1.00 0.00 H new ATOM 157 N LEU A 14 -0.958 2.508 -6.920 1.00 0.00 N ATOM 158 CA LEU A 14 0.338 2.967 -6.433 1.00 0.00 C ATOM 159 C LEU A 14 1.305 3.195 -7.591 1.00 0.00 C ATOM 160 O LEU A 14 1.290 2.462 -8.579 1.00 0.00 O ATOM 161 CB LEU A 14 0.927 1.949 -5.455 1.00 0.00 C ATOM 162 CG LEU A 14 0.042 1.571 -4.266 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.325 0.144 -3.823 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.254 2.542 -3.113 1.00 0.00 C ATOM 0 H LEU A 14 -1.242 1.595 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 14 0.189 3.915 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.166 1.040 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.867 2.345 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.000 1.633 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.314 -0.108 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.121 -0.540 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.371 0.055 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.384 2.258 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.298 2.513 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.000 3.552 -3.436 1.00 0.00 H new ATOM 176 N ASP A 15 2.146 4.215 -7.460 1.00 0.00 N ATOM 177 CA ASP A 15 3.123 4.539 -8.493 1.00 0.00 C ATOM 178 C ASP A 15 3.843 3.282 -8.972 1.00 0.00 C ATOM 179 O ASP A 15 3.861 2.252 -8.297 1.00 0.00 O ATOM 180 CB ASP A 15 4.138 5.554 -7.966 1.00 0.00 C ATOM 181 CG ASP A 15 3.690 6.986 -8.183 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.468 7.216 -8.285 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.564 7.877 -8.254 1.00 0.00 O ATOM 0 H ASP A 15 2.171 4.832 -6.648 1.00 0.00 H new ATOM 0 HA ASP A 15 2.591 4.976 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.299 5.384 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.096 5.397 -8.462 1.00 0.00 H new ATOM 188 N PRO A 16 4.450 3.366 -10.165 1.00 0.00 N ATOM 189 CA PRO A 16 5.183 2.245 -10.761 1.00 0.00 C ATOM 190 C PRO A 16 6.476 1.935 -10.015 1.00 0.00 C ATOM 191 O PRO A 16 7.028 0.842 -10.137 1.00 0.00 O ATOM 192 CB PRO A 16 5.488 2.734 -12.179 1.00 0.00 C ATOM 193 CG PRO A 16 5.488 4.220 -12.075 1.00 0.00 C ATOM 194 CD PRO A 16 4.469 4.562 -11.024 1.00 0.00 C ATOM 0 HA PRO A 16 4.608 1.320 -10.729 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.451 2.361 -12.528 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.736 2.387 -12.888 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.474 4.592 -11.798 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.232 4.678 -13.030 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.752 5.454 -10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.490 4.758 -11.462 1.00 0.00 H new ATOM 202 N ALA A 17 6.954 2.904 -9.241 1.00 0.00 N ATOM 203 CA ALA A 17 8.181 2.734 -8.473 1.00 0.00 C ATOM 204 C ALA A 17 8.442 3.941 -7.579 1.00 0.00 C ATOM 205 O ALA A 17 8.266 5.086 -7.998 1.00 0.00 O ATOM 206 CB ALA A 17 9.360 2.502 -9.407 1.00 0.00 C ATOM 0 H ALA A 17 6.510 3.815 -9.129 1.00 0.00 H new ATOM 0 HA ALA A 17 8.061 1.860 -7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.270 2.377 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.184 1.604 -9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.472 3.359 -10.071 1.00 0.00 H new ATOM 212 N TYR A 18 8.860 3.679 -6.346 1.00 0.00 N ATOM 213 CA TYR A 18 9.142 4.745 -5.391 1.00 0.00 C ATOM 214 C TYR A 18 10.641 4.865 -5.136 1.00 0.00 C ATOM 215 O TYR A 18 11.427 4.032 -5.586 1.00 0.00 O ATOM 216 CB TYR A 18 8.408 4.485 -4.074 1.00 0.00 C ATOM 217 CG TYR A 18 6.920 4.746 -4.149 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.083 3.907 -4.874 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.352 5.831 -3.493 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.724 4.142 -4.945 1.00 0.00 C ATOM 221 CE2 TYR A 18 4.993 6.073 -3.557 1.00 0.00 C ATOM 222 CZ TYR A 18 4.184 5.226 -4.284 1.00 0.00 C ATOM 223 OH TYR A 18 2.830 5.463 -4.351 1.00 0.00 O ATOM 0 H TYR A 18 9.011 2.738 -5.984 1.00 0.00 H new ATOM 0 HA TYR A 18 8.788 5.684 -5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.572 3.450 -3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.840 5.115 -3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.502 3.056 -5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.983 6.497 -2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.088 3.481 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.567 6.921 -3.041 1.00 0.00 H new ATOM 0 HH TYR A 18 2.612 6.264 -3.830 1.00 0.00 H new ATOM 233 N GLN A 19 11.029 5.909 -4.410 1.00 0.00 N ATOM 234 CA GLN A 19 12.433 6.139 -4.094 1.00 0.00 C ATOM 235 C GLN A 19 12.579 6.868 -2.762 1.00 0.00 C ATOM 236 O GLN A 19 12.047 7.963 -2.580 1.00 0.00 O ATOM 237 CB GLN A 19 13.102 6.948 -5.207 1.00 0.00 C ATOM 238 CG GLN A 19 12.981 6.308 -6.581 1.00 0.00 C ATOM 239 CD GLN A 19 11.663 6.625 -7.258 1.00 0.00 C ATOM 240 OE1 GLN A 19 10.957 7.555 -6.865 1.00 0.00 O ATOM 241 NE2 GLN A 19 11.322 5.852 -8.283 1.00 0.00 N ATOM 0 H GLN A 19 10.391 6.608 -4.030 1.00 0.00 H new ATOM 0 HA GLN A 19 12.925 5.170 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.658 7.943 -5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.157 7.077 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.801 6.652 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.085 5.227 -6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.937 5.092 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.446 6.018 -8.778 1.00 0.00 H new ATOM 250 N VAL A 20 13.304 6.252 -1.833 1.00 0.00 N ATOM 251 CA VAL A 20 13.520 6.843 -0.517 1.00 0.00 C ATOM 252 C VAL A 20 14.955 6.627 -0.048 1.00 0.00 C ATOM 253 O VAL A 20 15.708 5.864 -0.652 1.00 0.00 O ATOM 254 CB VAL A 20 12.555 6.253 0.528 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.937 4.818 0.859 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.540 7.113 1.783 1.00 0.00 C ATOM 0 H VAL A 20 13.751 5.345 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 20 13.329 7.912 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 20 11.550 6.247 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.244 4.418 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.892 4.212 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.950 4.795 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.853 6.682 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.543 7.153 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.214 8.122 1.529 1.00 0.00 H new ATOM 266 N ASP A 21 15.325 7.303 1.034 1.00 0.00 N ATOM 267 CA ASP A 21 16.669 7.185 1.587 1.00 0.00 C ATOM 268 C ASP A 21 16.740 6.051 2.605 1.00 0.00 C ATOM 269 O ASP A 21 15.821 5.857 3.400 1.00 0.00 O ATOM 270 CB ASP A 21 17.093 8.501 2.241 1.00 0.00 C ATOM 271 CG ASP A 21 16.409 8.731 3.574 1.00 0.00 C ATOM 272 OD1 ASP A 21 15.273 9.250 3.576 1.00 0.00 O ATOM 273 OD2 ASP A 21 17.009 8.392 4.615 1.00 0.00 O ATOM 0 H ASP A 21 14.713 7.939 1.546 1.00 0.00 H new ATOM 0 HA ASP A 21 17.353 6.959 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.173 8.500 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.862 9.328 1.570 1.00 0.00 H new ATOM 278 N LYS A 22 17.838 5.302 2.574 1.00 0.00 N ATOM 279 CA LYS A 22 18.030 4.187 3.493 1.00 0.00 C ATOM 280 C LYS A 22 17.515 4.535 4.886 1.00 0.00 C ATOM 281 O LYS A 22 17.372 5.707 5.231 1.00 0.00 O ATOM 282 CB LYS A 22 19.511 3.809 3.565 1.00 0.00 C ATOM 283 CG LYS A 22 19.787 2.595 4.436 1.00 0.00 C ATOM 284 CD LYS A 22 21.278 2.338 4.578 1.00 0.00 C ATOM 285 CE LYS A 22 21.865 3.096 5.759 1.00 0.00 C ATOM 286 NZ LYS A 22 23.332 3.302 5.612 1.00 0.00 N ATOM 0 H LYS A 22 18.608 5.448 1.922 1.00 0.00 H new ATOM 0 HA LYS A 22 17.462 3.336 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.877 3.613 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.076 4.658 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.347 2.746 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.305 1.718 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.453 1.270 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.789 2.637 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.370 4.063 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.666 2.546 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.694 3.822 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.807 2.379 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.521 3.849 4.748 1.00 0.00 H new ATOM 300 N GLY A 23 17.238 3.508 5.683 1.00 0.00 N ATOM 301 CA GLY A 23 16.743 3.726 7.030 1.00 0.00 C ATOM 302 C GLY A 23 15.809 4.917 7.118 1.00 0.00 C ATOM 303 O GLY A 23 15.817 5.649 8.106 1.00 0.00 O ATOM 0 H GLY A 23 17.347 2.529 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.220 2.832 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.586 3.879 7.704 1.00 0.00 H new ATOM 307 N GLY A 24 15.001 5.112 6.080 1.00 0.00 N ATOM 308 CA GLY A 24 14.069 6.224 6.063 1.00 0.00 C ATOM 309 C GLY A 24 12.627 5.774 6.181 1.00 0.00 C ATOM 310 O GLY A 24 12.335 4.764 6.823 1.00 0.00 O ATOM 0 H GLY A 24 14.976 4.519 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.303 6.902 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.196 6.786 5.138 1.00 0.00 H new ATOM 314 N ARG A 25 11.722 6.524 5.561 1.00 0.00 N ATOM 315 CA ARG A 25 10.301 6.198 5.602 1.00 0.00 C ATOM 316 C ARG A 25 9.626 6.545 4.279 1.00 0.00 C ATOM 317 O ARG A 25 9.683 7.686 3.821 1.00 0.00 O ATOM 318 CB ARG A 25 9.617 6.947 6.748 1.00 0.00 C ATOM 319 CG ARG A 25 8.222 6.432 7.064 1.00 0.00 C ATOM 320 CD ARG A 25 7.390 7.483 7.782 1.00 0.00 C ATOM 321 NE ARG A 25 7.913 7.780 9.113 1.00 0.00 N ATOM 322 CZ ARG A 25 7.488 8.793 9.861 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.539 9.601 9.410 1.00 0.00 N ATOM 324 NH2 ARG A 25 8.013 8.998 11.062 1.00 0.00 N ATOM 0 H ARG A 25 11.947 7.362 5.024 1.00 0.00 H new ATOM 0 HA ARG A 25 10.204 5.125 5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.235 6.869 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.556 8.005 6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.723 6.140 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.295 5.538 7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.370 8.397 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.361 7.135 7.866 1.00 0.00 H new ATOM 0 HE ARG A 25 8.645 7.177 9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.133 9.446 8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.214 10.378 9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.743 8.378 11.412 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.686 9.776 11.635 1.00 0.00 H new ATOM 338 N VAL A 26 8.986 5.552 3.669 1.00 0.00 N ATOM 339 CA VAL A 26 8.299 5.751 2.398 1.00 0.00 C ATOM 340 C VAL A 26 6.818 6.040 2.614 1.00 0.00 C ATOM 341 O VAL A 26 6.300 5.886 3.720 1.00 0.00 O ATOM 342 CB VAL A 26 8.443 4.521 1.483 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.891 4.341 1.054 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.927 3.273 2.183 1.00 0.00 C ATOM 0 H VAL A 26 8.929 4.601 4.035 1.00 0.00 H new ATOM 0 HA VAL A 26 8.767 6.609 1.916 1.00 0.00 H new ATOM 0 HB VAL A 26 7.842 4.683 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.973 3.467 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.222 5.226 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.517 4.201 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.036 2.413 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.499 3.104 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.875 3.406 2.434 1.00 0.00 H new ATOM 354 N ARG A 27 6.141 6.459 1.550 1.00 0.00 N ATOM 355 CA ARG A 27 4.719 6.771 1.623 1.00 0.00 C ATOM 356 C ARG A 27 3.952 6.076 0.501 1.00 0.00 C ATOM 357 O ARG A 27 4.224 6.296 -0.679 1.00 0.00 O ATOM 358 CB ARG A 27 4.501 8.283 1.543 1.00 0.00 C ATOM 359 CG ARG A 27 3.036 8.686 1.504 1.00 0.00 C ATOM 360 CD ARG A 27 2.844 10.017 0.794 1.00 0.00 C ATOM 361 NE ARG A 27 1.459 10.476 0.858 1.00 0.00 N ATOM 362 CZ ARG A 27 0.940 11.104 1.907 1.00 0.00 C ATOM 363 NH1 ARG A 27 1.688 11.345 2.975 1.00 0.00 N ATOM 364 NH2 ARG A 27 -0.329 11.491 1.890 1.00 0.00 N ATOM 0 H ARG A 27 6.555 6.590 0.627 1.00 0.00 H new ATOM 0 HA ARG A 27 4.342 6.407 2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.976 8.756 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.998 8.667 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.458 7.914 0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.649 8.755 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.495 10.766 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.146 9.919 -0.249 1.00 0.00 H new ATOM 0 HE ARG A 27 0.857 10.305 0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.664 11.048 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.288 11.827 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.908 11.306 1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.726 11.973 2.696 1.00 0.00 H new ATOM 378 N PHE A 28 2.993 5.237 0.878 1.00 0.00 N ATOM 379 CA PHE A 28 2.188 4.509 -0.095 1.00 0.00 C ATOM 380 C PHE A 28 0.704 4.810 0.093 1.00 0.00 C ATOM 381 O PHE A 28 0.083 4.354 1.053 1.00 0.00 O ATOM 382 CB PHE A 28 2.435 3.004 0.031 1.00 0.00 C ATOM 383 CG PHE A 28 3.860 2.606 -0.228 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.587 3.208 -1.242 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.471 1.630 0.541 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.899 2.845 -1.483 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.783 1.263 0.305 1.00 0.00 C ATOM 388 CZ PHE A 28 6.497 1.870 -0.709 1.00 0.00 C ATOM 0 H PHE A 28 2.755 5.045 1.851 1.00 0.00 H new ATOM 0 HA PHE A 28 2.484 4.836 -1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.152 2.680 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.786 2.478 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.123 3.970 -1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.917 1.150 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.456 3.323 -2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.249 0.502 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.521 1.583 -0.896 1.00 0.00 H new ATOM 398 N VAL A 29 0.141 5.582 -0.832 1.00 0.00 N ATOM 399 CA VAL A 29 -1.269 5.945 -0.770 1.00 0.00 C ATOM 400 C VAL A 29 -2.009 5.490 -2.023 1.00 0.00 C ATOM 401 O VAL A 29 -1.449 5.482 -3.119 1.00 0.00 O ATOM 402 CB VAL A 29 -1.452 7.465 -0.602 1.00 0.00 C ATOM 403 CG1 VAL A 29 -0.389 8.220 -1.386 1.00 0.00 C ATOM 404 CG2 VAL A 29 -2.847 7.885 -1.038 1.00 0.00 C ATOM 0 H VAL A 29 0.641 5.968 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.688 5.439 0.100 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.336 7.713 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.534 9.292 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.599 7.940 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.470 7.969 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.959 8.962 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.994 7.625 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.589 7.370 -0.428 1.00 0.00 H new ATOM 414 N VAL A 30 -3.273 5.113 -1.854 1.00 0.00 N ATOM 415 CA VAL A 30 -4.091 4.658 -2.971 1.00 0.00 C ATOM 416 C VAL A 30 -5.522 5.170 -2.849 1.00 0.00 C ATOM 417 O VAL A 30 -5.995 5.460 -1.750 1.00 0.00 O ATOM 418 CB VAL A 30 -4.113 3.121 -3.062 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.699 2.571 -3.165 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.838 2.527 -1.863 1.00 0.00 C ATOM 0 H VAL A 30 -3.752 5.114 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.640 5.061 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.654 2.836 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.735 1.483 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.217 2.971 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.129 2.864 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.844 1.440 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.326 2.820 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.864 2.895 -1.839 1.00 0.00 H new ATOM 430 N GLU A 31 -6.206 5.277 -3.984 1.00 0.00 N ATOM 431 CA GLU A 31 -7.583 5.755 -4.002 1.00 0.00 C ATOM 432 C GLU A 31 -8.558 4.596 -4.188 1.00 0.00 C ATOM 433 O GLU A 31 -8.188 3.532 -4.687 1.00 0.00 O ATOM 434 CB GLU A 31 -7.775 6.781 -5.121 1.00 0.00 C ATOM 435 CG GLU A 31 -8.859 7.805 -4.827 1.00 0.00 C ATOM 436 CD GLU A 31 -9.104 8.745 -5.992 1.00 0.00 C ATOM 437 OE1 GLU A 31 -8.116 9.249 -6.565 1.00 0.00 O ATOM 438 OE2 GLU A 31 -10.284 8.976 -6.330 1.00 0.00 O ATOM 0 H GLU A 31 -5.829 5.039 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.789 6.231 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.832 7.301 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.022 6.257 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.786 7.287 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.576 8.386 -3.949 1.00 0.00 H new ATOM 445 N LEU A 32 -9.805 4.809 -3.783 1.00 0.00 N ATOM 446 CA LEU A 32 -10.835 3.782 -3.903 1.00 0.00 C ATOM 447 C LEU A 32 -12.099 4.351 -4.539 1.00 0.00 C ATOM 448 O LEU A 32 -12.573 5.419 -4.153 1.00 0.00 O ATOM 449 CB LEU A 32 -11.161 3.196 -2.528 1.00 0.00 C ATOM 450 CG LEU A 32 -9.962 2.839 -1.649 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.329 2.944 -0.177 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.459 1.440 -1.976 1.00 0.00 C ATOM 0 H LEU A 32 -10.128 5.683 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.451 2.990 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.782 3.911 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.761 2.298 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.161 3.549 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.463 2.686 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.641 3.964 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.146 2.257 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.605 1.203 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.255 0.717 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.156 1.398 -3.022 1.00 0.00 H new ATOM 464 N ALA A 33 -12.641 3.629 -5.514 1.00 0.00 N ATOM 465 CA ALA A 33 -13.853 4.060 -6.200 1.00 0.00 C ATOM 466 C ALA A 33 -15.049 4.062 -5.254 1.00 0.00 C ATOM 467 O ALA A 33 -16.062 4.707 -5.521 1.00 0.00 O ATOM 468 CB ALA A 33 -14.127 3.163 -7.399 1.00 0.00 C ATOM 0 H ALA A 33 -12.260 2.743 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.699 5.081 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.035 3.496 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.288 3.216 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.255 2.134 -7.062 1.00 0.00 H new ATOM 474 N ASP A 34 -14.923 3.336 -4.149 1.00 0.00 N ATOM 475 CA ASP A 34 -15.994 3.255 -3.162 1.00 0.00 C ATOM 476 C ASP A 34 -15.437 2.924 -1.781 1.00 0.00 C ATOM 477 O ASP A 34 -14.508 2.129 -1.634 1.00 0.00 O ATOM 478 CB ASP A 34 -17.021 2.200 -3.578 1.00 0.00 C ATOM 479 CG ASP A 34 -17.952 2.695 -4.667 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.602 3.742 -4.461 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.030 2.037 -5.725 1.00 0.00 O ATOM 0 H ASP A 34 -14.091 2.795 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.483 4.228 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.500 1.308 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.608 1.906 -2.708 1.00 0.00 H new ATOM 486 N PRO A 35 -16.015 3.548 -0.744 1.00 0.00 N ATOM 487 CA PRO A 35 -15.592 3.336 0.643 1.00 0.00 C ATOM 488 C PRO A 35 -15.952 1.944 1.153 1.00 0.00 C ATOM 489 O PRO A 35 -15.289 1.405 2.039 1.00 0.00 O ATOM 490 CB PRO A 35 -16.365 4.406 1.418 1.00 0.00 C ATOM 491 CG PRO A 35 -17.566 4.685 0.581 1.00 0.00 C ATOM 492 CD PRO A 35 -17.127 4.508 -0.846 1.00 0.00 C ATOM 0 HA PRO A 35 -14.510 3.408 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.647 4.051 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.764 5.304 1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.380 4.002 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.935 5.696 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.934 4.124 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.805 5.451 -1.287 1.00 0.00 H new ATOM 500 N LYS A 36 -17.007 1.367 0.588 1.00 0.00 N ATOM 501 CA LYS A 36 -17.456 0.037 0.984 1.00 0.00 C ATOM 502 C LYS A 36 -16.389 -1.010 0.678 1.00 0.00 C ATOM 503 O LYS A 36 -16.314 -2.045 1.340 1.00 0.00 O ATOM 504 CB LYS A 36 -18.758 -0.320 0.263 1.00 0.00 C ATOM 505 CG LYS A 36 -19.997 0.256 0.925 1.00 0.00 C ATOM 506 CD LYS A 36 -21.269 -0.276 0.286 1.00 0.00 C ATOM 507 CE LYS A 36 -22.467 0.601 0.615 1.00 0.00 C ATOM 508 NZ LYS A 36 -22.872 0.473 2.042 1.00 0.00 N ATOM 0 H LYS A 36 -17.568 1.800 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.634 0.046 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.705 0.040 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.852 -1.405 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.991 0.009 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.978 1.343 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.140 -0.327 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.454 -1.292 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.226 1.642 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -23.305 0.327 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.692 1.086 2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -23.126 -0.515 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.081 0.759 2.654 1.00 0.00 H new ATOM 522 N LEU A 37 -15.566 -0.733 -0.327 1.00 0.00 N ATOM 523 CA LEU A 37 -14.502 -1.651 -0.719 1.00 0.00 C ATOM 524 C LEU A 37 -13.437 -1.747 0.369 1.00 0.00 C ATOM 525 O LEU A 37 -12.979 -0.733 0.893 1.00 0.00 O ATOM 526 CB LEU A 37 -13.865 -1.193 -2.033 1.00 0.00 C ATOM 527 CG LEU A 37 -14.718 -1.368 -3.289 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.131 -0.577 -4.448 1.00 0.00 C ATOM 529 CD2 LEU A 37 -14.836 -2.841 -3.653 1.00 0.00 C ATOM 0 H LEU A 37 -15.615 0.119 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.941 -2.639 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.604 -0.139 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.933 -1.741 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.717 -0.984 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.752 -0.714 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.099 0.481 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.121 -0.930 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.447 -2.946 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.843 -3.250 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.303 -3.383 -2.830 1.00 0.00 H new ATOM 541 N GLU A 38 -13.048 -2.974 0.702 1.00 0.00 N ATOM 542 CA GLU A 38 -12.036 -3.202 1.727 1.00 0.00 C ATOM 543 C GLU A 38 -10.632 -3.072 1.143 1.00 0.00 C ATOM 544 O GLU A 38 -10.458 -2.998 -0.073 1.00 0.00 O ATOM 545 CB GLU A 38 -12.215 -4.587 2.351 1.00 0.00 C ATOM 546 CG GLU A 38 -11.877 -5.729 1.407 1.00 0.00 C ATOM 547 CD GLU A 38 -13.073 -6.188 0.596 1.00 0.00 C ATOM 548 OE1 GLU A 38 -13.917 -6.924 1.146 1.00 0.00 O ATOM 549 OE2 GLU A 38 -13.164 -5.809 -0.591 1.00 0.00 O ATOM 0 H GLU A 38 -13.418 -3.824 0.277 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.160 -2.444 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.585 -4.661 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.247 -4.695 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.083 -5.413 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.489 -6.569 1.983 1.00 0.00 H new ATOM 556 N VAL A 39 -9.634 -3.043 2.021 1.00 0.00 N ATOM 557 CA VAL A 39 -8.245 -2.922 1.594 1.00 0.00 C ATOM 558 C VAL A 39 -7.336 -3.827 2.419 1.00 0.00 C ATOM 559 O VAL A 39 -7.540 -4.002 3.620 1.00 0.00 O ATOM 560 CB VAL A 39 -7.747 -1.470 1.710 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.423 -0.589 0.671 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.988 -0.934 3.113 1.00 0.00 C ATOM 0 H VAL A 39 -9.761 -3.102 3.031 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.207 -3.229 0.549 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.674 -1.457 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.058 0.434 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.194 -0.962 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.502 -0.606 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.630 0.093 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.055 -0.961 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.452 -1.550 3.835 1.00 0.00 H new ATOM 572 N LYS A 40 -6.331 -4.400 1.766 1.00 0.00 N ATOM 573 CA LYS A 40 -5.387 -5.286 2.438 1.00 0.00 C ATOM 574 C LYS A 40 -3.991 -5.147 1.841 1.00 0.00 C ATOM 575 O LYS A 40 -3.804 -5.300 0.634 1.00 0.00 O ATOM 576 CB LYS A 40 -5.857 -6.739 2.332 1.00 0.00 C ATOM 577 CG LYS A 40 -6.820 -7.148 3.432 1.00 0.00 C ATOM 578 CD LYS A 40 -7.685 -8.323 3.007 1.00 0.00 C ATOM 579 CE LYS A 40 -8.965 -7.857 2.332 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.782 -7.668 0.866 1.00 0.00 N ATOM 0 H LYS A 40 -6.149 -4.267 0.771 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.343 -5.000 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.339 -6.887 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.988 -7.396 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.259 -7.413 4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.456 -6.302 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.124 -8.961 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.932 -8.929 3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.755 -8.587 2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.292 -6.919 2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.699 -7.770 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.399 -6.718 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.120 -8.383 0.504 1.00 0.00 H new ATOM 594 N TRP A 41 -3.014 -4.857 2.693 1.00 0.00 N ATOM 595 CA TRP A 41 -1.634 -4.700 2.249 1.00 0.00 C ATOM 596 C TRP A 41 -0.852 -5.996 2.430 1.00 0.00 C ATOM 597 O TRP A 41 -0.947 -6.649 3.469 1.00 0.00 O ATOM 598 CB TRP A 41 -0.954 -3.568 3.022 1.00 0.00 C ATOM 599 CG TRP A 41 -1.598 -2.232 2.807 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.780 -1.797 3.336 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.097 -1.158 2.004 1.00 0.00 C ATOM 602 NE1 TRP A 41 -3.043 -0.517 2.910 1.00 0.00 N ATOM 603 CE2 TRP A 41 -2.026 -0.102 2.092 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.047 -0.984 1.220 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.844 1.106 1.426 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.225 0.216 0.558 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.716 1.249 0.665 1.00 0.00 C ATOM 0 H TRP A 41 -3.152 -4.726 3.695 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.647 -4.451 1.188 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.969 -3.804 4.086 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.093 -3.511 2.723 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.414 -2.374 3.992 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.863 0.035 3.162 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.779 -1.773 1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.568 1.903 1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.104 0.360 -0.052 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.548 2.176 0.137 1.00 0.00 H new ATOM 618 N TYR A 42 -0.080 -6.363 1.413 1.00 0.00 N ATOM 619 CA TYR A 42 0.716 -7.583 1.460 1.00 0.00 C ATOM 620 C TYR A 42 2.179 -7.292 1.140 1.00 0.00 C ATOM 621 O TYR A 42 2.500 -6.286 0.506 1.00 0.00 O ATOM 622 CB TYR A 42 0.164 -8.616 0.476 1.00 0.00 C ATOM 623 CG TYR A 42 -1.226 -9.101 0.824 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.345 -8.334 0.527 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.418 -10.327 1.448 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.616 -8.773 0.844 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.686 -10.775 1.767 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.781 -9.994 1.463 1.00 0.00 C ATOM 629 OH TYR A 42 -5.046 -10.436 1.779 1.00 0.00 O ATOM 0 H TYR A 42 0.011 -5.833 0.546 1.00 0.00 H new ATOM 0 HA TYR A 42 0.657 -7.986 2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.149 -8.181 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.840 -9.470 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.220 -7.378 0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.562 -10.940 1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.476 -8.163 0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.818 -11.731 2.251 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.988 -11.314 2.209 1.00 0.00 H new ATOM 639 N LYS A 43 3.063 -8.179 1.584 1.00 0.00 N ATOM 640 CA LYS A 43 4.493 -8.021 1.345 1.00 0.00 C ATOM 641 C LYS A 43 5.111 -9.328 0.861 1.00 0.00 C ATOM 642 O LYS A 43 4.834 -10.396 1.406 1.00 0.00 O ATOM 643 CB LYS A 43 5.195 -7.554 2.622 1.00 0.00 C ATOM 644 CG LYS A 43 6.711 -7.590 2.530 1.00 0.00 C ATOM 645 CD LYS A 43 7.250 -6.411 1.737 1.00 0.00 C ATOM 646 CE LYS A 43 8.635 -6.005 2.216 1.00 0.00 C ATOM 647 NZ LYS A 43 9.660 -7.034 1.886 1.00 0.00 N ATOM 0 H LYS A 43 2.814 -9.016 2.112 1.00 0.00 H new ATOM 0 HA LYS A 43 4.626 -7.268 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.877 -6.537 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.875 -8.182 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.138 -7.580 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.026 -8.521 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.291 -6.671 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.569 -5.565 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.913 -5.055 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.614 -5.846 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.519 -6.567 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.891 -7.580 2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.287 -7.674 1.156 1.00 0.00 H new ATOM 661 N ASN A 44 5.952 -9.236 -0.164 1.00 0.00 N ATOM 662 CA ASN A 44 6.611 -10.412 -0.720 1.00 0.00 C ATOM 663 C ASN A 44 5.658 -11.603 -0.758 1.00 0.00 C ATOM 664 O ASN A 44 6.087 -12.756 -0.733 1.00 0.00 O ATOM 665 CB ASN A 44 7.852 -10.764 0.103 1.00 0.00 C ATOM 666 CG ASN A 44 8.833 -11.625 -0.670 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.735 -11.755 -1.890 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.785 -12.219 0.040 1.00 0.00 N ATOM 0 H ASN A 44 6.193 -8.359 -0.626 1.00 0.00 H new ATOM 0 HA ASN A 44 6.914 -10.179 -1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.348 -9.846 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.547 -11.289 1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.473 -12.811 -0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.828 -12.083 1.050 1.00 0.00 H new ATOM 675 N GLY A 45 4.362 -11.314 -0.820 1.00 0.00 N ATOM 676 CA GLY A 45 3.368 -12.371 -0.861 1.00 0.00 C ATOM 677 C GLY A 45 2.942 -12.821 0.522 1.00 0.00 C ATOM 678 O GLY A 45 2.669 -14.001 0.741 1.00 0.00 O ATOM 0 H GLY A 45 3.983 -10.367 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.494 -12.022 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.771 -13.223 -1.409 1.00 0.00 H new ATOM 682 N GLN A 46 2.887 -11.879 1.459 1.00 0.00 N ATOM 683 CA GLN A 46 2.495 -12.187 2.829 1.00 0.00 C ATOM 684 C GLN A 46 1.779 -11.001 3.469 1.00 0.00 C ATOM 685 O GLN A 46 2.333 -9.906 3.560 1.00 0.00 O ATOM 686 CB GLN A 46 3.721 -12.567 3.660 1.00 0.00 C ATOM 687 CG GLN A 46 4.269 -13.948 3.339 1.00 0.00 C ATOM 688 CD GLN A 46 5.011 -14.568 4.507 1.00 0.00 C ATOM 689 OE1 GLN A 46 6.184 -14.275 4.738 1.00 0.00 O ATOM 690 NE2 GLN A 46 4.328 -15.430 5.251 1.00 0.00 N ATOM 0 H GLN A 46 3.109 -10.897 1.294 1.00 0.00 H new ATOM 0 HA GLN A 46 1.808 -13.033 2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.504 -11.827 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.460 -12.526 4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.447 -14.602 3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.940 -13.878 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.357 -15.643 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.774 -15.879 6.051 1.00 0.00 H new ATOM 699 N GLU A 47 0.546 -11.229 3.910 1.00 0.00 N ATOM 700 CA GLU A 47 -0.245 -10.178 4.540 1.00 0.00 C ATOM 701 C GLU A 47 0.605 -9.367 5.514 1.00 0.00 C ATOM 702 O GLU A 47 1.516 -9.898 6.150 1.00 0.00 O ATOM 703 CB GLU A 47 -1.444 -10.782 5.274 1.00 0.00 C ATOM 704 CG GLU A 47 -2.513 -9.765 5.634 1.00 0.00 C ATOM 705 CD GLU A 47 -3.821 -10.413 6.046 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.792 -11.293 6.933 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.871 -10.042 5.483 1.00 0.00 O ATOM 0 H GLU A 47 0.074 -12.131 3.843 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.605 -9.511 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.888 -11.558 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.095 -11.267 6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.151 -9.136 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.689 -9.111 4.780 1.00 0.00 H new ATOM 714 N ILE A 48 0.302 -8.078 5.623 1.00 0.00 N ATOM 715 CA ILE A 48 1.037 -7.194 6.519 1.00 0.00 C ATOM 716 C ILE A 48 0.201 -6.830 7.741 1.00 0.00 C ATOM 717 O ILE A 48 -1.002 -6.590 7.634 1.00 0.00 O ATOM 718 CB ILE A 48 1.469 -5.901 5.803 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.316 -6.231 4.573 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.240 -5.000 6.757 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.636 -5.025 3.717 1.00 0.00 C ATOM 0 H ILE A 48 -0.447 -7.623 5.102 1.00 0.00 H new ATOM 0 HA ILE A 48 1.926 -7.737 6.839 1.00 0.00 H new ATOM 0 HB ILE A 48 0.576 -5.370 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.248 -6.694 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.789 -6.967 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.539 -4.090 6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.606 -4.741 7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.128 -5.522 7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.239 -5.334 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.709 -4.574 3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.191 -4.296 4.308 1.00 0.00 H new ATOM 733 N ARG A 49 0.846 -6.791 8.902 1.00 0.00 N ATOM 734 CA ARG A 49 0.162 -6.455 10.145 1.00 0.00 C ATOM 735 C ARG A 49 0.483 -5.027 10.574 1.00 0.00 C ATOM 736 O ARG A 49 1.616 -4.558 10.461 1.00 0.00 O ATOM 737 CB ARG A 49 0.562 -7.433 11.252 1.00 0.00 C ATOM 738 CG ARG A 49 -0.026 -8.824 11.078 1.00 0.00 C ATOM 739 CD ARG A 49 0.342 -9.734 12.239 1.00 0.00 C ATOM 740 NE ARG A 49 0.171 -11.145 11.903 1.00 0.00 N ATOM 741 CZ ARG A 49 0.909 -11.780 11.000 1.00 0.00 C ATOM 742 NH1 ARG A 49 1.863 -11.134 10.344 1.00 0.00 N ATOM 743 NH2 ARG A 49 0.693 -13.066 10.750 1.00 0.00 N ATOM 0 H ARG A 49 1.841 -6.988 9.008 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.911 -6.531 9.971 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.649 -7.509 11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.243 -7.031 12.213 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.111 -8.754 10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.334 -9.258 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.377 -9.553 12.528 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.277 -9.489 13.102 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.555 -11.672 12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.032 -10.146 10.532 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.428 -11.625 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.040 -13.567 11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.260 -13.553 10.056 1.00 0.00 H new ATOM 757 N PRO A 50 -0.537 -4.317 11.079 1.00 0.00 N ATOM 758 CA PRO A 50 -0.388 -2.931 11.534 1.00 0.00 C ATOM 759 C PRO A 50 0.443 -2.826 12.809 1.00 0.00 C ATOM 760 O PRO A 50 0.030 -3.292 13.870 1.00 0.00 O ATOM 761 CB PRO A 50 -1.829 -2.488 11.798 1.00 0.00 C ATOM 762 CG PRO A 50 -2.568 -3.750 12.084 1.00 0.00 C ATOM 763 CD PRO A 50 -1.914 -4.812 11.243 1.00 0.00 C ATOM 0 HA PRO A 50 0.135 -2.315 10.802 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.883 -1.798 12.640 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.248 -1.971 10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.514 -4.002 13.143 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.624 -3.649 11.834 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.936 -5.784 11.735 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.416 -4.930 10.283 1.00 0.00 H new ATOM 771 N SER A 51 1.616 -2.211 12.696 1.00 0.00 N ATOM 772 CA SER A 51 2.507 -2.048 13.838 1.00 0.00 C ATOM 773 C SER A 51 3.296 -0.747 13.731 1.00 0.00 C ATOM 774 O SER A 51 3.296 -0.091 12.688 1.00 0.00 O ATOM 775 CB SER A 51 3.467 -3.235 13.936 1.00 0.00 C ATOM 776 OG SER A 51 2.795 -4.400 14.382 1.00 0.00 O ATOM 0 H SER A 51 1.971 -1.817 11.825 1.00 0.00 H new ATOM 0 HA SER A 51 1.897 -2.008 14.741 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.919 -3.423 12.962 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.279 -2.994 14.623 1.00 0.00 H new ATOM 0 HG SER A 51 1.834 -4.220 14.443 1.00 0.00 H new ATOM 782 N THR A 52 3.970 -0.379 14.816 1.00 0.00 N ATOM 783 CA THR A 52 4.763 0.843 14.846 1.00 0.00 C ATOM 784 C THR A 52 5.572 1.004 13.564 1.00 0.00 C ATOM 785 O THR A 52 5.839 2.122 13.122 1.00 0.00 O ATOM 786 CB THR A 52 5.722 0.862 16.051 1.00 0.00 C ATOM 787 OG1 THR A 52 4.986 0.677 17.265 1.00 0.00 O ATOM 788 CG2 THR A 52 6.490 2.173 16.111 1.00 0.00 C ATOM 0 H THR A 52 3.982 -0.911 15.686 1.00 0.00 H new ATOM 0 HA THR A 52 4.062 1.673 14.937 1.00 0.00 H new ATOM 0 HB THR A 52 6.436 0.047 15.932 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.603 0.689 18.026 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.161 2.163 16.970 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.072 2.296 15.198 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.788 3.002 16.208 1.00 0.00 H new ATOM 796 N LYS A 53 5.960 -0.119 12.970 1.00 0.00 N ATOM 797 CA LYS A 53 6.738 -0.103 11.737 1.00 0.00 C ATOM 798 C LYS A 53 5.877 0.333 10.556 1.00 0.00 C ATOM 799 O LYS A 53 6.336 1.061 9.676 1.00 0.00 O ATOM 800 CB LYS A 53 7.331 -1.488 11.466 1.00 0.00 C ATOM 801 CG LYS A 53 7.997 -1.609 10.106 1.00 0.00 C ATOM 802 CD LYS A 53 9.070 -2.685 10.105 1.00 0.00 C ATOM 803 CE LYS A 53 9.609 -2.933 8.704 1.00 0.00 C ATOM 804 NZ LYS A 53 8.648 -3.705 7.869 1.00 0.00 N ATOM 0 H LYS A 53 5.748 -1.052 13.323 1.00 0.00 H new ATOM 0 HA LYS A 53 7.549 0.616 11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.062 -1.719 12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.540 -2.234 11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.246 -1.842 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.440 -0.652 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.886 -2.387 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.659 -3.611 10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.823 -1.979 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.552 -3.476 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.014 -3.780 6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.528 -4.658 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.730 -3.217 7.856 1.00 0.00 H new ATOM 818 N TYR A 54 4.627 -0.116 10.543 1.00 0.00 N ATOM 819 CA TYR A 54 3.702 0.228 9.470 1.00 0.00 C ATOM 820 C TYR A 54 2.661 1.235 9.949 1.00 0.00 C ATOM 821 O TYR A 54 1.938 0.985 10.914 1.00 0.00 O ATOM 822 CB TYR A 54 3.008 -1.030 8.945 1.00 0.00 C ATOM 823 CG TYR A 54 3.935 -1.974 8.214 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.338 -1.712 6.910 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.409 -3.127 8.826 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.185 -2.571 6.237 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.257 -3.992 8.161 1.00 0.00 C ATOM 828 CZ TYR A 54 5.642 -3.709 6.867 1.00 0.00 C ATOM 829 OH TYR A 54 6.486 -4.569 6.202 1.00 0.00 O ATOM 0 H TYR A 54 4.231 -0.719 11.264 1.00 0.00 H new ATOM 0 HA TYR A 54 4.275 0.683 8.662 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.551 -1.559 9.782 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.200 -0.736 8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.983 -0.821 6.414 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.110 -3.351 9.839 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.487 -2.352 5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.616 -4.885 8.652 1.00 0.00 H new ATOM 0 HH TYR A 54 6.715 -5.321 6.788 1.00 0.00 H new ATOM 839 N ILE A 55 2.591 2.373 9.267 1.00 0.00 N ATOM 840 CA ILE A 55 1.638 3.417 9.621 1.00 0.00 C ATOM 841 C ILE A 55 0.402 3.359 8.729 1.00 0.00 C ATOM 842 O ILE A 55 0.430 3.802 7.581 1.00 0.00 O ATOM 843 CB ILE A 55 2.270 4.817 9.511 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.684 4.809 10.096 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.404 5.847 10.220 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.714 4.698 11.604 1.00 0.00 C ATOM 0 H ILE A 55 3.183 2.595 8.466 1.00 0.00 H new ATOM 0 HA ILE A 55 1.346 3.239 10.656 1.00 0.00 H new ATOM 0 HB ILE A 55 2.334 5.089 8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.241 3.976 9.667 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.197 5.723 9.797 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.864 6.831 10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.415 5.867 9.763 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.311 5.581 11.273 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.748 4.698 11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.186 5.545 12.042 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.230 3.771 11.910 1.00 0.00 H new ATOM 858 N PHE A 56 -0.683 2.811 9.266 1.00 0.00 N ATOM 859 CA PHE A 56 -1.930 2.695 8.520 1.00 0.00 C ATOM 860 C PHE A 56 -2.821 3.912 8.757 1.00 0.00 C ATOM 861 O PHE A 56 -3.232 4.182 9.884 1.00 0.00 O ATOM 862 CB PHE A 56 -2.674 1.419 8.922 1.00 0.00 C ATOM 863 CG PHE A 56 -2.094 0.172 8.319 1.00 0.00 C ATOM 864 CD1 PHE A 56 -0.962 -0.414 8.861 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.680 -0.413 7.209 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.425 -1.562 8.309 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.149 -1.561 6.652 1.00 0.00 C ATOM 868 CZ PHE A 56 -1.020 -2.136 7.202 1.00 0.00 C ATOM 0 H PHE A 56 -0.724 2.440 10.215 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.686 2.646 7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.662 1.328 10.008 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.718 1.507 8.621 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.493 0.032 9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.562 0.033 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.458 -2.009 8.742 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.617 -2.008 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.603 -3.033 6.768 1.00 0.00 H new ATOM 878 N GLU A 57 -3.113 4.641 7.684 1.00 0.00 N ATOM 879 CA GLU A 57 -3.952 5.830 7.775 1.00 0.00 C ATOM 880 C GLU A 57 -5.199 5.683 6.907 1.00 0.00 C ATOM 881 O GLU A 57 -5.105 5.484 5.695 1.00 0.00 O ATOM 882 CB GLU A 57 -3.165 7.071 7.351 1.00 0.00 C ATOM 883 CG GLU A 57 -2.427 7.745 8.496 1.00 0.00 C ATOM 884 CD GLU A 57 -1.980 9.152 8.154 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.182 9.306 7.205 1.00 0.00 O ATOM 886 OE2 GLU A 57 -2.426 10.099 8.834 1.00 0.00 O ATOM 0 H GLU A 57 -2.781 4.429 6.743 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.264 5.945 8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.446 6.789 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.850 7.788 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.075 7.777 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.556 7.146 8.764 1.00 0.00 H new ATOM 893 N HIS A 58 -6.366 5.782 7.536 1.00 0.00 N ATOM 894 CA HIS A 58 -7.632 5.661 6.821 1.00 0.00 C ATOM 895 C HIS A 58 -8.248 7.034 6.571 1.00 0.00 C ATOM 896 O HIS A 58 -8.575 7.760 7.509 1.00 0.00 O ATOM 897 CB HIS A 58 -8.606 4.788 7.613 1.00 0.00 C ATOM 898 CG HIS A 58 -9.853 4.445 6.857 1.00 0.00 C ATOM 899 ND1 HIS A 58 -10.449 3.203 6.912 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.618 5.191 6.025 1.00 0.00 C ATOM 901 CE1 HIS A 58 -11.525 3.199 6.146 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.650 4.394 5.597 1.00 0.00 N ATOM 0 H HIS A 58 -6.461 5.946 8.538 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.435 5.191 5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.102 3.866 7.903 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.879 5.305 8.533 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.448 6.221 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.190 2.361 5.994 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -12.393 4.678 4.959 1.00 0.00 H new ATOM 911 N LYS A 59 -8.404 7.383 5.298 1.00 0.00 N ATOM 912 CA LYS A 59 -8.981 8.669 4.923 1.00 0.00 C ATOM 913 C LYS A 59 -10.093 8.486 3.895 1.00 0.00 C ATOM 914 O LYS A 59 -10.031 7.593 3.051 1.00 0.00 O ATOM 915 CB LYS A 59 -7.898 9.592 4.360 1.00 0.00 C ATOM 916 CG LYS A 59 -8.166 11.066 4.611 1.00 0.00 C ATOM 917 CD LYS A 59 -6.905 11.898 4.449 1.00 0.00 C ATOM 918 CE LYS A 59 -6.085 11.921 5.730 1.00 0.00 C ATOM 919 NZ LYS A 59 -6.790 12.640 6.827 1.00 0.00 N ATOM 0 H LYS A 59 -8.139 6.793 4.509 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.408 9.123 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.938 9.325 4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.811 9.424 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.929 11.421 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.563 11.198 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.302 11.492 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.173 12.917 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.872 10.899 6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.126 12.402 5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.094 12.991 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.320 13.442 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.449 11.990 7.301 1.00 0.00 H new ATOM 933 N GLY A 60 -11.109 9.340 3.970 1.00 0.00 N ATOM 934 CA GLY A 60 -12.219 9.256 3.040 1.00 0.00 C ATOM 935 C GLY A 60 -11.801 8.719 1.685 1.00 0.00 C ATOM 936 O GLY A 60 -11.001 9.339 0.984 1.00 0.00 O ATOM 0 H GLY A 60 -11.183 10.089 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.992 8.613 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.660 10.245 2.915 1.00 0.00 H new ATOM 940 N CYS A 61 -12.342 7.563 1.318 1.00 0.00 N ATOM 941 CA CYS A 61 -12.018 6.940 0.039 1.00 0.00 C ATOM 942 C CYS A 61 -10.530 7.072 -0.269 1.00 0.00 C ATOM 943 O CYS A 61 -10.149 7.489 -1.362 1.00 0.00 O ATOM 944 CB CYS A 61 -12.842 7.573 -1.083 1.00 0.00 C ATOM 945 SG CYS A 61 -14.578 7.848 -0.660 1.00 0.00 S ATOM 0 H CYS A 61 -13.006 7.038 1.887 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.263 5.880 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.391 8.527 -1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.791 6.932 -1.963 1.00 0.00 H new ATOM 0 HG CYS A 61 -15.191 8.388 -1.671 1.00 0.00 H new ATOM 951 N GLN A 62 -9.696 6.716 0.702 1.00 0.00 N ATOM 952 CA GLN A 62 -8.250 6.797 0.535 1.00 0.00 C ATOM 953 C GLN A 62 -7.530 6.077 1.670 1.00 0.00 C ATOM 954 O GLN A 62 -7.904 6.203 2.835 1.00 0.00 O ATOM 955 CB GLN A 62 -7.804 8.259 0.478 1.00 0.00 C ATOM 956 CG GLN A 62 -6.480 8.464 -0.241 1.00 0.00 C ATOM 957 CD GLN A 62 -5.797 9.759 0.151 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.567 9.939 1.446 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 -5.480 10.589 -0.701 1.00 0.00 N flip ATOM 0 H GLN A 62 -9.997 6.369 1.613 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.989 6.308 -0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.574 8.846 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.720 8.644 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.818 7.627 -0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.651 8.459 -1.317 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.676 10.409 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.021 11.456 -0.422 1.00 0.00 H new ATOM 968 N ARG A 63 -6.494 5.321 1.320 1.00 0.00 N ATOM 969 CA ARG A 63 -5.722 4.578 2.310 1.00 0.00 C ATOM 970 C ARG A 63 -4.225 4.796 2.106 1.00 0.00 C ATOM 971 O ARG A 63 -3.715 4.668 0.993 1.00 0.00 O ATOM 972 CB ARG A 63 -6.047 3.086 2.226 1.00 0.00 C ATOM 973 CG ARG A 63 -7.458 2.744 2.675 1.00 0.00 C ATOM 974 CD ARG A 63 -7.512 2.447 4.166 1.00 0.00 C ATOM 975 NE ARG A 63 -8.735 1.743 4.540 1.00 0.00 N ATOM 976 CZ ARG A 63 -8.952 1.237 5.749 1.00 0.00 C ATOM 977 NH1 ARG A 63 -8.031 1.357 6.696 1.00 0.00 N ATOM 978 NH2 ARG A 63 -10.091 0.610 6.013 1.00 0.00 N ATOM 0 H ARG A 63 -6.170 5.207 0.360 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.994 4.947 3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.911 2.750 1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.336 2.533 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.126 3.574 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.819 1.880 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.647 1.846 4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.446 3.381 4.724 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.463 1.634 3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.154 1.839 6.497 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.200 0.968 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.801 0.516 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.256 0.222 6.942 1.00 0.00 H new ATOM 992 N ILE A 64 -3.528 5.127 3.188 1.00 0.00 N ATOM 993 CA ILE A 64 -2.091 5.362 3.128 1.00 0.00 C ATOM 994 C ILE A 64 -1.337 4.389 4.028 1.00 0.00 C ATOM 995 O ILE A 64 -1.865 3.924 5.039 1.00 0.00 O ATOM 996 CB ILE A 64 -1.739 6.803 3.540 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.756 7.786 2.958 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.331 7.156 3.082 1.00 0.00 C ATOM 999 CD1 ILE A 64 -3.944 8.033 3.861 1.00 0.00 C ATOM 0 H ILE A 64 -3.935 5.238 4.116 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.788 5.205 2.093 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.775 6.873 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.258 8.735 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.111 7.404 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.097 8.178 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.383 6.471 3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.270 7.072 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.623 8.740 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.466 7.093 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.600 8.444 4.810 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.098 4.086 3.656 1.00 0.00 N ATOM 1012 CA LEU A 65 0.731 3.170 4.431 1.00 0.00 C ATOM 1013 C LEU A 65 2.202 3.566 4.350 1.00 0.00 C ATOM 1014 O LEU A 65 2.732 3.807 3.265 1.00 0.00 O ATOM 1015 CB LEU A 65 0.549 1.737 3.928 1.00 0.00 C ATOM 1016 CG LEU A 65 1.581 0.718 4.414 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.937 0.989 3.780 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.685 0.747 5.932 1.00 0.00 C ATOM 0 H LEU A 65 0.354 4.461 2.822 1.00 0.00 H new ATOM 0 HA LEU A 65 0.415 3.226 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.441 1.392 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.567 1.751 2.838 1.00 0.00 H new ATOM 0 HG LEU A 65 1.253 -0.276 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.659 0.255 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.853 0.917 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.273 1.990 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.424 0.016 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.990 1.742 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.716 0.504 6.368 1.00 0.00 H new ATOM 1030 N PHE A 66 2.857 3.629 5.505 1.00 0.00 N ATOM 1031 CA PHE A 66 4.267 3.994 5.565 1.00 0.00 C ATOM 1032 C PHE A 66 5.095 2.868 6.177 1.00 0.00 C ATOM 1033 O PHE A 66 4.616 2.129 7.038 1.00 0.00 O ATOM 1034 CB PHE A 66 4.449 5.277 6.379 1.00 0.00 C ATOM 1035 CG PHE A 66 3.672 6.444 5.841 1.00 0.00 C ATOM 1036 CD1 PHE A 66 2.301 6.522 6.020 1.00 0.00 C ATOM 1037 CD2 PHE A 66 4.314 7.463 5.155 1.00 0.00 C ATOM 1038 CE1 PHE A 66 1.583 7.595 5.526 1.00 0.00 C ATOM 1039 CE2 PHE A 66 3.601 8.539 4.660 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.234 8.604 4.844 1.00 0.00 C ATOM 0 H PHE A 66 2.433 3.432 6.412 1.00 0.00 H new ATOM 0 HA PHE A 66 4.616 4.165 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.143 5.091 7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.508 5.536 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.787 5.735 6.552 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.383 7.416 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.514 7.644 5.673 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.113 9.328 4.130 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.675 9.442 4.455 1.00 0.00 H new ATOM 1050 N ILE A 67 6.339 2.744 5.726 1.00 0.00 N ATOM 1051 CA ILE A 67 7.233 1.709 6.229 1.00 0.00 C ATOM 1052 C ILE A 67 8.550 2.307 6.713 1.00 0.00 C ATOM 1053 O ILE A 67 9.327 2.841 5.923 1.00 0.00 O ATOM 1054 CB ILE A 67 7.529 0.648 5.152 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.230 0.184 4.492 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.272 -0.532 5.761 1.00 0.00 C ATOM 1057 CD1 ILE A 67 5.860 0.979 3.259 1.00 0.00 C ATOM 0 H ILE A 67 6.750 3.347 5.014 1.00 0.00 H new ATOM 0 HA ILE A 67 6.724 1.232 7.067 1.00 0.00 H new ATOM 0 HB ILE A 67 8.163 1.095 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.325 -0.868 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.419 0.254 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.474 -1.273 4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.214 -0.188 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.661 -0.982 6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.928 0.594 2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.732 2.028 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.653 0.888 2.516 1.00 0.00 H new ATOM 1069 N ASN A 68 8.793 2.213 8.016 1.00 0.00 N ATOM 1070 CA ASN A 68 10.017 2.744 8.606 1.00 0.00 C ATOM 1071 C ASN A 68 11.149 1.725 8.519 1.00 0.00 C ATOM 1072 O ASN A 68 10.910 0.528 8.367 1.00 0.00 O ATOM 1073 CB ASN A 68 9.777 3.133 10.066 1.00 0.00 C ATOM 1074 CG ASN A 68 8.999 4.429 10.198 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.539 5.514 9.985 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.724 4.319 10.552 1.00 0.00 N ATOM 0 H ASN A 68 8.159 1.774 8.684 1.00 0.00 H new ATOM 0 HA ASN A 68 10.307 3.632 8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.233 2.333 10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.736 3.234 10.575 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.150 5.156 10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.319 3.398 10.718 1.00 0.00 H new ATOM 1083 N ASN A 69 12.383 2.210 8.618 1.00 0.00 N ATOM 1084 CA ASN A 69 13.553 1.342 8.550 1.00 0.00 C ATOM 1085 C ASN A 69 13.718 0.759 7.150 1.00 0.00 C ATOM 1086 O ASN A 69 14.004 -0.428 6.991 1.00 0.00 O ATOM 1087 CB ASN A 69 13.435 0.212 9.575 1.00 0.00 C ATOM 1088 CG ASN A 69 13.100 0.723 10.963 1.00 0.00 C ATOM 1089 OD1 ASN A 69 12.406 1.728 11.117 1.00 0.00 O ATOM 1090 ND2 ASN A 69 13.596 0.032 11.983 1.00 0.00 N ATOM 0 H ASN A 69 12.598 3.199 8.745 1.00 0.00 H new ATOM 0 HA ASN A 69 14.434 1.942 8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.664 -0.488 9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.373 -0.341 9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.406 0.329 12.940 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.167 -0.795 11.809 1.00 0.00 H new ATOM 1097 N CYS A 70 13.536 1.602 6.139 1.00 0.00 N ATOM 1098 CA CYS A 70 13.665 1.170 4.752 1.00 0.00 C ATOM 1099 C CYS A 70 15.108 0.795 4.431 1.00 0.00 C ATOM 1100 O CYS A 70 15.931 1.659 4.130 1.00 0.00 O ATOM 1101 CB CYS A 70 13.189 2.274 3.807 1.00 0.00 C ATOM 1102 SG CYS A 70 11.416 2.616 3.904 1.00 0.00 S ATOM 0 H CYS A 70 13.299 2.587 6.254 1.00 0.00 H new ATOM 0 HA CYS A 70 13.041 0.288 4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.737 3.189 4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.439 1.994 2.784 1.00 0.00 H new ATOM 0 HG CYS A 70 11.041 2.615 5.149 1.00 0.00 H new ATOM 1108 N GLN A 71 15.407 -0.498 4.499 1.00 0.00 N ATOM 1109 CA GLN A 71 16.752 -0.986 4.217 1.00 0.00 C ATOM 1110 C GLN A 71 16.829 -1.593 2.820 1.00 0.00 C ATOM 1111 O GLN A 71 15.809 -1.795 2.164 1.00 0.00 O ATOM 1112 CB GLN A 71 17.170 -2.023 5.261 1.00 0.00 C ATOM 1113 CG GLN A 71 18.674 -2.222 5.354 1.00 0.00 C ATOM 1114 CD GLN A 71 19.434 -0.911 5.398 1.00 0.00 C ATOM 1115 OE1 GLN A 71 20.296 -0.651 4.559 1.00 0.00 O ATOM 1116 NE2 GLN A 71 19.117 -0.076 6.381 1.00 0.00 N ATOM 0 H GLN A 71 14.737 -1.226 4.747 1.00 0.00 H new ATOM 0 HA GLN A 71 17.436 -0.139 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.792 -1.717 6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.700 -2.977 5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.905 -2.802 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.013 -2.806 4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.396 -0.332 7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.595 0.821 6.462 1.00 0.00 H new ATOM 1125 N MET A 72 18.047 -1.882 2.373 1.00 0.00 N ATOM 1126 CA MET A 72 18.257 -2.467 1.053 1.00 0.00 C ATOM 1127 C MET A 72 17.666 -3.872 0.982 1.00 0.00 C ATOM 1128 O MET A 72 17.475 -4.422 -0.104 1.00 0.00 O ATOM 1129 CB MET A 72 19.750 -2.512 0.723 1.00 0.00 C ATOM 1130 CG MET A 72 20.260 -1.251 0.045 1.00 0.00 C ATOM 1131 SD MET A 72 20.787 0.008 1.223 1.00 0.00 S ATOM 1132 CE MET A 72 19.222 0.788 1.608 1.00 0.00 C ATOM 0 H MET A 72 18.903 -1.721 2.904 1.00 0.00 H new ATOM 0 HA MET A 72 17.749 -1.840 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 72 20.312 -2.673 1.643 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.945 -3.367 0.076 1.00 0.00 H new ATOM 0 HG2 MET A 72 21.096 -1.506 -0.606 1.00 0.00 H new ATOM 0 HG3 MET A 72 19.475 -0.842 -0.590 1.00 0.00 H new ATOM 0 HE1 MET A 72 19.346 1.871 1.611 1.00 0.00 H new ATOM 0 HE2 MET A 72 18.482 0.510 0.857 1.00 0.00 H new ATOM 0 HE3 MET A 72 18.883 0.459 2.590 1.00 0.00 H new ATOM 1142 N THR A 73 17.379 -4.449 2.145 1.00 0.00 N ATOM 1143 CA THR A 73 16.812 -5.789 2.213 1.00 0.00 C ATOM 1144 C THR A 73 15.288 -5.741 2.243 1.00 0.00 C ATOM 1145 O THR A 73 14.619 -6.686 1.824 1.00 0.00 O ATOM 1146 CB THR A 73 17.314 -6.549 3.456 1.00 0.00 C ATOM 1147 OG1 THR A 73 16.753 -7.866 3.485 1.00 0.00 O ATOM 1148 CG2 THR A 73 16.944 -5.806 4.730 1.00 0.00 C ATOM 0 H THR A 73 17.530 -4.008 3.052 1.00 0.00 H new ATOM 0 HA THR A 73 17.139 -6.316 1.317 1.00 0.00 H new ATOM 0 HB THR A 73 18.400 -6.619 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.078 -8.343 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.309 -6.361 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.397 -4.815 4.718 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.860 -5.708 4.793 1.00 0.00 H new ATOM 1156 N ASP A 74 14.746 -4.635 2.739 1.00 0.00 N ATOM 1157 CA ASP A 74 13.300 -4.462 2.822 1.00 0.00 C ATOM 1158 C ASP A 74 12.714 -4.125 1.454 1.00 0.00 C ATOM 1159 O ASP A 74 11.621 -4.572 1.109 1.00 0.00 O ATOM 1160 CB ASP A 74 12.952 -3.362 3.825 1.00 0.00 C ATOM 1161 CG ASP A 74 12.858 -3.883 5.246 1.00 0.00 C ATOM 1162 OD1 ASP A 74 12.061 -4.814 5.484 1.00 0.00 O ATOM 1163 OD2 ASP A 74 13.580 -3.358 6.120 1.00 0.00 O ATOM 0 H ASP A 74 15.286 -3.844 3.090 1.00 0.00 H new ATOM 0 HA ASP A 74 12.866 -5.402 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.708 -2.579 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.003 -2.906 3.545 1.00 0.00 H new ATOM 1168 N ASP A 75 13.449 -3.332 0.681 1.00 0.00 N ATOM 1169 CA ASP A 75 13.002 -2.934 -0.649 1.00 0.00 C ATOM 1170 C ASP A 75 12.338 -4.102 -1.371 1.00 0.00 C ATOM 1171 O ASP A 75 13.015 -4.958 -1.942 1.00 0.00 O ATOM 1172 CB ASP A 75 14.182 -2.414 -1.471 1.00 0.00 C ATOM 1173 CG ASP A 75 15.107 -3.526 -1.925 1.00 0.00 C ATOM 1174 OD1 ASP A 75 15.316 -4.479 -1.145 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.621 -3.444 -3.060 1.00 0.00 O ATOM 0 H ASP A 75 14.356 -2.953 0.952 1.00 0.00 H new ATOM 0 HA ASP A 75 12.268 -2.136 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.806 -1.880 -2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.747 -1.696 -0.876 1.00 0.00 H new ATOM 1180 N SER A 76 11.010 -4.132 -1.341 1.00 0.00 N ATOM 1181 CA SER A 76 10.254 -5.197 -1.989 1.00 0.00 C ATOM 1182 C SER A 76 9.054 -4.631 -2.743 1.00 0.00 C ATOM 1183 O SER A 76 8.743 -3.446 -2.635 1.00 0.00 O ATOM 1184 CB SER A 76 9.783 -6.220 -0.953 1.00 0.00 C ATOM 1185 OG SER A 76 10.734 -7.258 -0.792 1.00 0.00 O ATOM 0 H SER A 76 10.435 -3.431 -0.875 1.00 0.00 H new ATOM 0 HA SER A 76 10.911 -5.691 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.616 -5.724 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.828 -6.643 -1.263 1.00 0.00 H new ATOM 0 HG SER A 76 10.269 -8.116 -0.700 1.00 0.00 H new ATOM 1191 N GLU A 77 8.386 -5.489 -3.508 1.00 0.00 N ATOM 1192 CA GLU A 77 7.221 -5.074 -4.281 1.00 0.00 C ATOM 1193 C GLU A 77 5.935 -5.301 -3.492 1.00 0.00 C ATOM 1194 O GLU A 77 5.518 -6.439 -3.277 1.00 0.00 O ATOM 1195 CB GLU A 77 7.161 -5.840 -5.605 1.00 0.00 C ATOM 1196 CG GLU A 77 6.016 -5.409 -6.506 1.00 0.00 C ATOM 1197 CD GLU A 77 5.641 -6.472 -7.521 1.00 0.00 C ATOM 1198 OE1 GLU A 77 6.545 -6.959 -8.230 1.00 0.00 O ATOM 1199 OE2 GLU A 77 4.443 -6.815 -7.605 1.00 0.00 O ATOM 0 H GLU A 77 8.631 -6.474 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 77 7.316 -4.008 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.102 -5.703 -6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.066 -6.905 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.146 -5.173 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.295 -4.494 -7.029 1.00 0.00 H new ATOM 1206 N TYR A 78 5.312 -4.209 -3.062 1.00 0.00 N ATOM 1207 CA TYR A 78 4.075 -4.288 -2.294 1.00 0.00 C ATOM 1208 C TYR A 78 2.859 -4.274 -3.215 1.00 0.00 C ATOM 1209 O TYR A 78 2.880 -3.657 -4.280 1.00 0.00 O ATOM 1210 CB TYR A 78 3.991 -3.125 -1.303 1.00 0.00 C ATOM 1211 CG TYR A 78 5.229 -2.967 -0.449 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.390 -2.410 -0.971 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.238 -3.374 0.879 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.524 -2.264 -0.195 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.366 -3.231 1.663 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.507 -2.675 1.121 1.00 0.00 C ATOM 1217 OH TYR A 78 8.633 -2.532 1.898 1.00 0.00 O ATOM 0 H TYR A 78 5.643 -3.259 -3.232 1.00 0.00 H new ATOM 0 HA TYR A 78 4.079 -5.228 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 78 3.820 -2.200 -1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.128 -3.273 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.406 -2.086 -2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.347 -3.810 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.419 -1.830 -0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.355 -3.552 2.694 1.00 0.00 H new ATOM 0 HH TYR A 78 8.453 -2.870 2.800 1.00 0.00 H new ATOM 1227 N TYR A 79 1.801 -4.960 -2.797 1.00 0.00 N ATOM 1228 CA TYR A 79 0.576 -5.029 -3.584 1.00 0.00 C ATOM 1229 C TYR A 79 -0.654 -5.004 -2.682 1.00 0.00 C ATOM 1230 O TYR A 79 -0.729 -5.735 -1.694 1.00 0.00 O ATOM 1231 CB TYR A 79 0.567 -6.295 -4.442 1.00 0.00 C ATOM 1232 CG TYR A 79 0.434 -7.569 -3.639 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.557 -8.226 -3.151 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.814 -8.116 -3.368 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.440 -9.391 -2.417 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -0.940 -9.280 -2.634 1.00 0.00 C ATOM 1237 CZ TYR A 79 0.190 -9.914 -2.161 1.00 0.00 C ATOM 1238 OH TYR A 79 0.069 -11.073 -1.430 1.00 0.00 O ATOM 0 H TYR A 79 1.767 -5.476 -1.918 1.00 0.00 H new ATOM 0 HA TYR A 79 0.544 -4.156 -4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.257 -6.236 -5.153 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.488 -6.336 -5.024 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.538 -7.819 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.701 -7.623 -3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.323 -9.889 -2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.918 -9.691 -2.432 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.423 -10.888 -0.603 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.618 -4.156 -3.029 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.846 -4.035 -2.252 1.00 0.00 C ATOM 1250 C VAL A 80 -4.032 -4.629 -3.004 1.00 0.00 C ATOM 1251 O VAL A 80 -4.024 -4.713 -4.233 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.152 -2.565 -1.912 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.498 -1.785 -3.171 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.279 -2.478 -0.894 1.00 0.00 C ATOM 0 H VAL A 80 -1.572 -3.543 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.691 -4.589 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.260 -2.119 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.711 -0.748 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.657 -1.819 -3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.375 -2.228 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.482 -1.432 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.177 -2.941 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.987 -2.999 0.018 1.00 0.00 H new ATOM 1264 N THR A 81 -5.053 -5.039 -2.258 1.00 0.00 N ATOM 1265 CA THR A 81 -6.247 -5.626 -2.853 1.00 0.00 C ATOM 1266 C THR A 81 -7.503 -4.883 -2.412 1.00 0.00 C ATOM 1267 O THR A 81 -7.591 -4.413 -1.278 1.00 0.00 O ATOM 1268 CB THR A 81 -6.387 -7.114 -2.482 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.456 -7.259 -1.059 1.00 0.00 O ATOM 1270 CG2 THR A 81 -5.214 -7.919 -3.022 1.00 0.00 C ATOM 0 H THR A 81 -5.077 -4.975 -1.240 1.00 0.00 H new ATOM 0 HA THR A 81 -6.137 -5.538 -3.934 1.00 0.00 H new ATOM 0 HB THR A 81 -7.305 -7.493 -2.931 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.546 -8.208 -0.831 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.335 -8.967 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.181 -7.830 -4.108 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.285 -7.538 -2.598 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.473 -4.782 -3.314 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.726 -4.099 -3.016 1.00 0.00 C ATOM 1280 C ALA A 82 -10.853 -4.604 -3.911 1.00 0.00 C ATOM 1281 O ALA A 82 -10.891 -4.308 -5.104 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.557 -2.595 -3.174 1.00 0.00 C ATOM 0 H ALA A 82 -8.415 -5.165 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.994 -4.317 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.500 -2.097 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.787 -2.241 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.263 -2.368 -4.199 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.769 -5.369 -3.325 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.885 -5.903 -4.085 1.00 0.00 C ATOM 1290 C GLY A 83 -12.461 -6.998 -5.045 1.00 0.00 C ATOM 1291 O GLY A 83 -12.105 -8.098 -4.623 1.00 0.00 O ATOM 0 H GLY A 83 -11.759 -5.628 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.634 -6.296 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.359 -5.096 -4.645 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.501 -6.696 -6.338 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.119 -7.663 -7.360 1.00 0.00 C ATOM 1297 C ASP A 84 -10.909 -7.171 -8.148 1.00 0.00 C ATOM 1298 O ASP A 84 -10.635 -7.653 -9.247 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.290 -7.924 -8.309 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.516 -8.445 -7.586 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.876 -7.870 -6.538 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.116 -9.427 -8.070 1.00 0.00 O ATOM 0 H ASP A 84 -12.794 -5.790 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.851 -8.595 -6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.544 -7.001 -8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.985 -8.645 -9.068 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.189 -6.209 -7.579 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.010 -5.651 -8.230 1.00 0.00 C ATOM 1309 C GLU A 85 -7.842 -5.556 -7.252 1.00 0.00 C ATOM 1310 O GLU A 85 -8.018 -5.696 -6.041 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.323 -4.267 -8.803 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.379 -4.286 -9.896 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.843 -4.805 -11.216 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -9.172 -5.858 -11.212 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.095 -4.157 -12.254 1.00 0.00 O ATOM 0 H GLU A 85 -10.402 -5.800 -6.669 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.727 -6.318 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.659 -3.616 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.407 -3.832 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.215 -4.909 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.768 -3.278 -10.037 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.649 -5.319 -7.786 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.451 -5.204 -6.963 1.00 0.00 C ATOM 1324 C LYS A 86 -4.307 -4.576 -7.752 1.00 0.00 C ATOM 1325 O LYS A 86 -4.183 -4.787 -8.959 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.031 -6.581 -6.443 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.222 -7.388 -7.445 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.812 -8.735 -6.874 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.686 -9.363 -7.681 1.00 0.00 C ATOM 1330 NZ LYS A 86 -2.474 -10.792 -7.319 1.00 0.00 N ATOM 0 H LYS A 86 -6.486 -5.203 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.682 -4.558 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.444 -6.453 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.923 -7.145 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.809 -7.539 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.332 -6.827 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.494 -8.611 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.672 -9.405 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.915 -9.288 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.764 -8.805 -7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.699 -11.184 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.230 -10.862 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.345 -11.330 -7.503 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.472 -3.805 -7.063 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.337 -3.147 -7.699 1.00 0.00 C ATOM 1346 C CYS A 87 -1.032 -3.519 -7.003 1.00 0.00 C ATOM 1347 O CYS A 87 -1.039 -4.157 -5.950 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.525 -1.629 -7.680 1.00 0.00 C ATOM 1349 SG CYS A 87 -2.442 -0.896 -6.030 1.00 0.00 S ATOM 0 H CYS A 87 -3.560 -3.621 -6.064 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.285 -3.487 -8.733 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.761 -1.171 -8.308 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.490 -1.388 -8.125 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.817 0.347 -6.088 1.00 0.00 H new ATOM 1355 N SER A 88 0.086 -3.117 -7.599 1.00 0.00 N ATOM 1356 CA SER A 88 1.399 -3.413 -7.039 1.00 0.00 C ATOM 1357 C SER A 88 2.394 -2.305 -7.372 1.00 0.00 C ATOM 1358 O SER A 88 2.249 -1.604 -8.374 1.00 0.00 O ATOM 1359 CB SER A 88 1.914 -4.752 -7.570 1.00 0.00 C ATOM 1360 OG SER A 88 2.024 -4.732 -8.983 1.00 0.00 O ATOM 0 H SER A 88 0.109 -2.586 -8.469 1.00 0.00 H new ATOM 0 HA SER A 88 1.299 -3.474 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.887 -4.972 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.238 -5.551 -7.266 1.00 0.00 H new ATOM 0 HG SER A 88 2.357 -5.598 -9.298 1.00 0.00 H new ATOM 1366 N THR A 89 3.405 -2.151 -6.523 1.00 0.00 N ATOM 1367 CA THR A 89 4.424 -1.129 -6.725 1.00 0.00 C ATOM 1368 C THR A 89 5.807 -1.650 -6.352 1.00 0.00 C ATOM 1369 O THR A 89 5.934 -2.637 -5.629 1.00 0.00 O ATOM 1370 CB THR A 89 4.124 0.134 -5.896 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.127 1.128 -6.136 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.071 -0.192 -4.411 1.00 0.00 C ATOM 0 H THR A 89 3.540 -2.722 -5.688 1.00 0.00 H new ATOM 0 HA THR A 89 4.409 -0.873 -7.784 1.00 0.00 H new ATOM 0 HB THR A 89 3.151 0.519 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.868 1.674 -6.908 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.858 0.716 -3.847 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.286 -0.926 -4.227 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.031 -0.600 -4.093 1.00 0.00 H new ATOM 1380 N GLU A 90 6.841 -0.979 -6.850 1.00 0.00 N ATOM 1381 CA GLU A 90 8.216 -1.376 -6.569 1.00 0.00 C ATOM 1382 C GLU A 90 8.916 -0.335 -5.700 1.00 0.00 C ATOM 1383 O GLU A 90 8.919 0.855 -6.018 1.00 0.00 O ATOM 1384 CB GLU A 90 8.991 -1.572 -7.874 1.00 0.00 C ATOM 1385 CG GLU A 90 8.689 -2.888 -8.569 1.00 0.00 C ATOM 1386 CD GLU A 90 7.457 -2.813 -9.450 1.00 0.00 C ATOM 1387 OE1 GLU A 90 6.336 -2.776 -8.900 1.00 0.00 O ATOM 1388 OE2 GLU A 90 7.613 -2.792 -10.689 1.00 0.00 O ATOM 0 H GLU A 90 6.753 -0.159 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 90 8.190 -2.320 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.758 -0.751 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.059 -1.518 -7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.547 -3.180 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.548 -3.667 -7.819 1.00 0.00 H new ATOM 1395 N LEU A 91 9.508 -0.791 -4.602 1.00 0.00 N ATOM 1396 CA LEU A 91 10.211 0.100 -3.686 1.00 0.00 C ATOM 1397 C LEU A 91 11.707 0.117 -3.984 1.00 0.00 C ATOM 1398 O LEU A 91 12.328 -0.931 -4.160 1.00 0.00 O ATOM 1399 CB LEU A 91 9.973 -0.333 -2.238 1.00 0.00 C ATOM 1400 CG LEU A 91 10.583 0.564 -1.160 1.00 0.00 C ATOM 1401 CD1 LEU A 91 12.098 0.435 -1.153 1.00 0.00 C ATOM 1402 CD2 LEU A 91 10.170 2.013 -1.375 1.00 0.00 C ATOM 0 H LEU A 91 9.515 -1.772 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 91 9.819 1.108 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.898 -0.390 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.370 -1.340 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 91 10.207 0.240 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.515 1.080 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.374 -0.600 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.493 0.732 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.613 2.637 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.517 2.349 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.084 2.093 -1.328 1.00 0.00 H new ATOM 1414 N PHE A 92 12.281 1.315 -4.037 1.00 0.00 N ATOM 1415 CA PHE A 92 13.705 1.468 -4.312 1.00 0.00 C ATOM 1416 C PHE A 92 14.372 2.344 -3.255 1.00 0.00 C ATOM 1417 O PHE A 92 14.345 3.572 -3.343 1.00 0.00 O ATOM 1418 CB PHE A 92 13.915 2.076 -5.700 1.00 0.00 C ATOM 1419 CG PHE A 92 13.470 1.179 -6.820 1.00 0.00 C ATOM 1420 CD1 PHE A 92 13.966 -0.109 -6.933 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.554 1.625 -7.760 1.00 0.00 C ATOM 1422 CE1 PHE A 92 13.559 -0.936 -7.963 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.143 0.803 -8.792 1.00 0.00 C ATOM 1424 CZ PHE A 92 12.645 -0.480 -8.893 1.00 0.00 C ATOM 0 H PHE A 92 11.782 2.193 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 92 14.164 0.480 -4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.371 3.018 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.972 2.309 -5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.679 -0.472 -6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.157 2.627 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.955 -1.938 -8.041 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.430 1.163 -9.519 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.324 -1.125 -9.697 1.00 0.00 H new ATOM 1434 N VAL A 93 14.970 1.704 -2.255 1.00 0.00 N ATOM 1435 CA VAL A 93 15.644 2.423 -1.181 1.00 0.00 C ATOM 1436 C VAL A 93 17.153 2.449 -1.400 1.00 0.00 C ATOM 1437 O VAL A 93 17.825 1.424 -1.282 1.00 0.00 O ATOM 1438 CB VAL A 93 15.346 1.791 0.191 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.717 0.316 0.192 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.085 2.535 1.292 1.00 0.00 C ATOM 0 H VAL A 93 15.001 0.688 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 93 15.260 3.443 -1.193 1.00 0.00 H new ATOM 0 HB VAL A 93 14.276 1.872 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.499 -0.113 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.138 -0.205 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.780 0.208 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.863 2.075 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.158 2.488 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.765 3.577 1.305 1.00 0.00 H new ATOM 1450 N ARG A 94 17.679 3.627 -1.719 1.00 0.00 N ATOM 1451 CA ARG A 94 19.109 3.786 -1.954 1.00 0.00 C ATOM 1452 C ARG A 94 19.885 3.736 -0.642 1.00 0.00 C ATOM 1453 O ARG A 94 19.296 3.715 0.439 1.00 0.00 O ATOM 1454 CB ARG A 94 19.385 5.109 -2.672 1.00 0.00 C ATOM 1455 CG ARG A 94 18.433 5.386 -3.824 1.00 0.00 C ATOM 1456 CD ARG A 94 18.686 4.448 -4.994 1.00 0.00 C ATOM 1457 NE ARG A 94 19.821 4.879 -5.806 1.00 0.00 N ATOM 1458 CZ ARG A 94 19.726 5.773 -6.785 1.00 0.00 C ATOM 1459 NH1 ARG A 94 18.556 6.327 -7.071 1.00 0.00 N ATOM 1460 NH2 ARG A 94 20.804 6.114 -7.479 1.00 0.00 N ATOM 0 H ARG A 94 17.137 4.485 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 94 19.442 2.961 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.318 5.925 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.407 5.101 -3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 94 17.404 5.274 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 94 18.549 6.419 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.871 3.442 -4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 94 17.793 4.397 -5.617 1.00 0.00 H new ATOM 0 HE ARG A 94 20.736 4.472 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 94 17.725 6.068 -6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 94 18.487 7.013 -7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 94 21.706 5.690 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 94 20.731 6.800 -8.230 1.00 0.00 H new ATOM 1474 N SER A 95 21.210 3.715 -0.744 1.00 0.00 N ATOM 1475 CA SER A 95 22.067 3.662 0.434 1.00 0.00 C ATOM 1476 C SER A 95 22.747 5.007 0.672 1.00 0.00 C ATOM 1477 O SER A 95 23.830 5.269 0.151 1.00 0.00 O ATOM 1478 CB SER A 95 23.122 2.566 0.275 1.00 0.00 C ATOM 1479 OG SER A 95 23.870 2.746 -0.915 1.00 0.00 O ATOM 0 H SER A 95 21.713 3.734 -1.631 1.00 0.00 H new ATOM 0 HA SER A 95 21.442 3.432 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.792 2.575 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.637 1.590 0.259 1.00 0.00 H new ATOM 0 HG SER A 95 24.122 3.689 -1.003 1.00 0.00 H new ATOM 1485 N GLY A 96 22.101 5.858 1.464 1.00 0.00 N ATOM 1486 CA GLY A 96 22.657 7.166 1.757 1.00 0.00 C ATOM 1487 C GLY A 96 22.023 8.265 0.928 1.00 0.00 C ATOM 1488 O GLY A 96 21.391 8.012 -0.098 1.00 0.00 O ATOM 0 H GLY A 96 21.203 5.665 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 96 22.518 7.388 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 96 23.731 7.150 1.573 1.00 0.00 H new ATOM 1492 N PRO A 97 22.188 9.519 1.375 1.00 0.00 N ATOM 1493 CA PRO A 97 21.633 10.685 0.682 1.00 0.00 C ATOM 1494 C PRO A 97 22.335 10.961 -0.643 1.00 0.00 C ATOM 1495 O PRO A 97 23.547 10.782 -0.763 1.00 0.00 O ATOM 1496 CB PRO A 97 21.879 11.832 1.666 1.00 0.00 C ATOM 1497 CG PRO A 97 23.045 11.389 2.480 1.00 0.00 C ATOM 1498 CD PRO A 97 22.929 9.894 2.590 1.00 0.00 C ATOM 0 HA PRO A 97 20.584 10.544 0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.093 12.764 1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 97 21.005 12.011 2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 97 23.984 11.674 2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 97 23.033 11.855 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 97 23.908 9.417 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 97 22.396 9.598 3.493 1.00 0.00 H new ATOM 1506 N SER A 98 21.566 11.398 -1.635 1.00 0.00 N ATOM 1507 CA SER A 98 22.114 11.695 -2.953 1.00 0.00 C ATOM 1508 C SER A 98 22.668 13.116 -3.004 1.00 0.00 C ATOM 1509 O SER A 98 21.914 14.089 -2.989 1.00 0.00 O ATOM 1510 CB SER A 98 21.040 11.516 -4.028 1.00 0.00 C ATOM 1511 OG SER A 98 20.061 12.537 -3.945 1.00 0.00 O ATOM 0 H SER A 98 20.562 11.554 -1.551 1.00 0.00 H new ATOM 0 HA SER A 98 22.930 10.998 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.503 11.531 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.565 10.542 -3.913 1.00 0.00 H new ATOM 0 HG SER A 98 20.426 13.301 -3.452 1.00 0.00 H new ATOM 1517 N SER A 99 23.991 13.227 -3.062 1.00 0.00 N ATOM 1518 CA SER A 99 24.648 14.528 -3.111 1.00 0.00 C ATOM 1519 C SER A 99 26.148 14.370 -3.339 1.00 0.00 C ATOM 1520 O SER A 99 26.749 13.376 -2.933 1.00 0.00 O ATOM 1521 CB SER A 99 24.396 15.298 -1.814 1.00 0.00 C ATOM 1522 OG SER A 99 25.056 16.552 -1.829 1.00 0.00 O ATOM 0 H SER A 99 24.629 12.432 -3.076 1.00 0.00 H new ATOM 0 HA SER A 99 24.228 15.089 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 99 23.325 15.449 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.745 14.710 -0.965 1.00 0.00 H new ATOM 0 HG SER A 99 24.878 17.025 -0.990 1.00 0.00 H new ATOM 1528 N GLY A 100 26.748 15.361 -3.992 1.00 0.00 N ATOM 1529 CA GLY A 100 28.173 15.315 -4.264 1.00 0.00 C ATOM 1530 C GLY A 100 28.854 16.646 -4.018 1.00 0.00 C ATOM 1531 O GLY A 100 29.636 17.114 -4.846 1.00 0.00 O ATOM 0 H GLY A 100 26.273 16.195 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 100 28.635 14.553 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 100 28.332 15.015 -5.300 1.00 0.00 H new TER 1535 GLY A 100