USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 28 MET CE :methyl -128:sc= -5.13! (180deg=-8.33!) USER MOD Set 1.2: A 40 TYR OH : rot -5:sc= -5.55! USER MOD Single : A 1 ILE N :NH3+ -153:sc= -0.278 (180deg=-1.14) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -34:sc= -4.25! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 72:sc= -3.23 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.199 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.242 F(o=-0.9,f=-0.24) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.304 -2.119 9.418 1.00 0.00 N ATOM 2 CA ILE A 1 8.986 -1.600 9.865 1.00 0.00 C ATOM 3 C ILE A 1 7.981 -1.596 8.716 1.00 0.00 C ATOM 4 O ILE A 1 8.278 -1.105 7.627 1.00 0.00 O ATOM 5 CB ILE A 1 9.110 -0.169 10.425 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.310 -0.066 11.370 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.827 0.232 11.141 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.624 1.351 11.798 1.00 0.00 C ATOM 0 H1 ILE A 1 10.805 -2.538 10.227 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.162 -2.844 8.686 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.870 -1.339 9.028 1.00 0.00 H new ATOM 0 HA ILE A 1 8.633 -2.264 10.654 1.00 0.00 H new ATOM 0 HB ILE A 1 9.270 0.517 9.593 1.00 0.00 H new ATOM 0 HG12 ILE A 1 10.117 -0.670 12.256 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.186 -0.491 10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.929 1.245 11.531 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.993 0.196 10.440 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.639 -0.457 11.965 1.00 0.00 H new ATOM 0 HD11 ILE A 1 11.485 1.347 12.466 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.849 1.955 10.919 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.764 1.773 12.318 1.00 0.00 H new ATOM 22 N PRO A 2 6.774 -2.149 8.938 1.00 0.00 N ATOM 23 CA PRO A 2 5.736 -2.207 7.915 1.00 0.00 C ATOM 24 C PRO A 2 4.889 -0.941 7.872 1.00 0.00 C ATOM 25 O PRO A 2 5.241 0.075 8.467 1.00 0.00 O ATOM 26 CB PRO A 2 4.900 -3.402 8.363 1.00 0.00 C ATOM 27 CG PRO A 2 4.995 -3.393 9.852 1.00 0.00 C ATOM 28 CD PRO A 2 6.327 -2.768 10.201 1.00 0.00 C ATOM 0 HA PRO A 2 6.144 -2.298 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.866 -3.308 8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.285 -4.333 7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.175 -2.823 10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.927 -4.406 10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.225 -2.027 10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.038 -3.515 10.553 1.00 0.00 H new ATOM 36 N ALA A 3 3.767 -1.012 7.162 1.00 0.00 N ATOM 37 CA ALA A 3 2.865 0.120 7.037 1.00 0.00 C ATOM 38 C ALA A 3 1.542 -0.158 7.743 1.00 0.00 C ATOM 39 O ALA A 3 1.153 -1.311 7.919 1.00 0.00 O ATOM 40 CB ALA A 3 2.627 0.445 5.570 1.00 0.00 C ATOM 0 H ALA A 3 3.463 -1.848 6.663 1.00 0.00 H new ATOM 0 HA ALA A 3 3.330 0.982 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.949 1.295 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.576 0.692 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.185 -0.419 5.073 1.00 0.00 H new ATOM 46 N PHE A 4 0.854 0.905 8.143 1.00 0.00 N ATOM 47 CA PHE A 4 -0.423 0.775 8.823 1.00 0.00 C ATOM 48 C PHE A 4 -1.565 1.230 7.917 1.00 0.00 C ATOM 49 O PHE A 4 -1.638 2.400 7.541 1.00 0.00 O ATOM 50 CB PHE A 4 -0.427 1.602 10.105 1.00 0.00 C ATOM 51 CG PHE A 4 0.331 0.978 11.244 1.00 0.00 C ATOM 52 CD1 PHE A 4 1.613 0.485 11.058 1.00 0.00 C ATOM 53 CD2 PHE A 4 -0.237 0.896 12.506 1.00 0.00 C ATOM 54 CE1 PHE A 4 2.314 -0.078 12.108 1.00 0.00 C ATOM 55 CE2 PHE A 4 0.459 0.333 13.559 1.00 0.00 C ATOM 56 CZ PHE A 4 1.735 -0.154 13.360 1.00 0.00 C ATOM 0 H PHE A 4 1.163 1.868 8.006 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.568 -0.276 9.073 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.000 2.582 9.893 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.459 1.764 10.416 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.070 0.541 10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.235 1.276 12.668 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.313 -0.458 11.950 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.005 0.274 14.537 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.280 -0.594 14.182 1.00 0.00 H new ATOM 66 N VAL A 5 -2.455 0.307 7.572 1.00 0.00 N ATOM 67 CA VAL A 5 -3.590 0.629 6.714 1.00 0.00 C ATOM 68 C VAL A 5 -4.677 1.352 7.504 1.00 0.00 C ATOM 69 O VAL A 5 -4.728 1.261 8.731 1.00 0.00 O ATOM 70 CB VAL A 5 -4.184 -0.640 6.072 1.00 0.00 C ATOM 71 CG1 VAL A 5 -5.351 -0.289 5.159 1.00 0.00 C ATOM 72 CG2 VAL A 5 -3.113 -1.403 5.307 1.00 0.00 C ATOM 0 H VAL A 5 -2.414 -0.667 7.872 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.223 1.283 5.923 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.559 -1.282 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.754 -1.200 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.129 0.209 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.006 0.376 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.551 -2.296 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.705 -0.767 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.315 -1.693 5.990 1.00 0.00 H new ATOM 82 N LYS A 6 -5.540 2.077 6.798 1.00 0.00 N ATOM 83 CA LYS A 6 -6.616 2.822 7.444 1.00 0.00 C ATOM 84 C LYS A 6 -7.989 2.279 7.063 1.00 0.00 C ATOM 85 O LYS A 6 -8.694 1.704 7.892 1.00 0.00 O ATOM 86 CB LYS A 6 -6.525 4.306 7.084 1.00 0.00 C ATOM 87 CG LYS A 6 -5.149 4.906 7.322 1.00 0.00 C ATOM 88 CD LYS A 6 -4.920 6.138 6.460 1.00 0.00 C ATOM 89 CE LYS A 6 -5.764 7.313 6.928 1.00 0.00 C ATOM 90 NZ LYS A 6 -4.985 8.583 6.947 1.00 0.00 N ATOM 0 H LYS A 6 -5.516 2.164 5.782 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.496 2.702 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.792 4.434 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.260 4.859 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.044 5.172 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.384 4.161 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.865 6.412 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.161 5.907 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.626 7.426 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.149 7.108 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.595 9.360 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.176 8.485 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.639 8.792 5.989 1.00 0.00 H new ATOM 104 N PHE A 7 -8.368 2.482 5.810 1.00 0.00 N ATOM 105 CA PHE A 7 -9.663 2.033 5.317 1.00 0.00 C ATOM 106 C PHE A 7 -9.517 0.976 4.223 1.00 0.00 C ATOM 107 O PHE A 7 -8.485 0.890 3.559 1.00 0.00 O ATOM 108 CB PHE A 7 -10.466 3.223 4.787 1.00 0.00 C ATOM 109 CG PHE A 7 -11.590 3.639 5.692 1.00 0.00 C ATOM 110 CD1 PHE A 7 -12.440 2.693 6.242 1.00 0.00 C ATOM 111 CD2 PHE A 7 -11.797 4.975 5.992 1.00 0.00 C ATOM 112 CE1 PHE A 7 -13.476 3.073 7.074 1.00 0.00 C ATOM 113 CE2 PHE A 7 -12.831 5.361 6.824 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.672 4.409 7.365 1.00 0.00 C ATOM 0 H PHE A 7 -7.795 2.957 5.113 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.194 1.578 6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.794 4.069 4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.873 2.969 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -12.291 1.647 6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.143 5.724 5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.132 2.326 7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.981 6.406 7.051 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.481 4.708 8.014 1.00 0.00 H new ATOM 124 N ALA A 8 -10.568 0.176 4.045 1.00 0.00 N ATOM 125 CA ALA A 8 -10.575 -0.874 3.037 1.00 0.00 C ATOM 126 C ALA A 8 -11.269 -0.409 1.761 1.00 0.00 C ATOM 127 O ALA A 8 -12.302 0.258 1.811 1.00 0.00 O ATOM 128 CB ALA A 8 -11.253 -2.122 3.581 1.00 0.00 C ATOM 0 H ALA A 8 -11.428 0.239 4.591 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.540 -1.112 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.251 -2.899 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.713 -2.476 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.281 -1.887 3.857 1.00 0.00 H new ATOM 134 N TYR A 9 -10.696 -0.770 0.619 1.00 0.00 N ATOM 135 CA TYR A 9 -11.255 -0.397 -0.674 1.00 0.00 C ATOM 136 C TYR A 9 -11.235 -1.582 -1.635 1.00 0.00 C ATOM 137 O TYR A 9 -10.213 -2.254 -1.783 1.00 0.00 O ATOM 138 CB TYR A 9 -10.476 0.776 -1.273 1.00 0.00 C ATOM 139 CG TYR A 9 -11.291 1.625 -2.222 1.00 0.00 C ATOM 140 CD1 TYR A 9 -12.532 2.125 -1.847 1.00 0.00 C ATOM 141 CD2 TYR A 9 -10.819 1.930 -3.492 1.00 0.00 C ATOM 142 CE1 TYR A 9 -13.280 2.902 -2.711 1.00 0.00 C ATOM 143 CE2 TYR A 9 -11.561 2.707 -4.363 1.00 0.00 C ATOM 144 CZ TYR A 9 -12.790 3.190 -3.967 1.00 0.00 C ATOM 145 OH TYR A 9 -13.532 3.963 -4.831 1.00 0.00 O ATOM 0 H TYR A 9 -9.841 -1.323 0.563 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.290 -0.093 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.105 1.405 -0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.605 0.390 -1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.919 1.903 -0.863 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.856 1.554 -3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.243 3.282 -2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.180 2.934 -5.348 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.044 4.072 -5.674 1.00 0.00 H new ATOM 155 N VAL A 10 -12.363 -1.831 -2.288 1.00 0.00 N ATOM 156 CA VAL A 10 -12.464 -2.931 -3.236 1.00 0.00 C ATOM 157 C VAL A 10 -12.055 -2.483 -4.634 1.00 0.00 C ATOM 158 O VAL A 10 -12.773 -1.728 -5.290 1.00 0.00 O ATOM 159 CB VAL A 10 -13.893 -3.511 -3.290 1.00 0.00 C ATOM 160 CG1 VAL A 10 -14.153 -4.411 -2.092 1.00 0.00 C ATOM 161 CG2 VAL A 10 -14.928 -2.397 -3.359 1.00 0.00 C ATOM 0 H VAL A 10 -13.219 -1.287 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.785 -3.709 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.980 -4.112 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.166 -4.810 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.439 -5.234 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.041 -3.835 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.927 -2.831 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.840 -1.763 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.759 -1.798 -4.254 1.00 0.00 H new ATOM 171 N ALA A 11 -10.893 -2.947 -5.087 1.00 0.00 N ATOM 172 CA ALA A 11 -10.393 -2.585 -6.407 1.00 0.00 C ATOM 173 C ALA A 11 -9.165 -3.400 -6.783 1.00 0.00 C ATOM 174 O ALA A 11 -8.042 -3.047 -6.424 1.00 0.00 O ATOM 175 CB ALA A 11 -10.073 -1.097 -6.457 1.00 0.00 C ATOM 0 H ALA A 11 -10.283 -3.572 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.175 -2.809 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.700 -0.838 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.976 -0.523 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.313 -0.863 -5.711 1.00 0.00 H new ATOM 181 N GLU A 12 -9.378 -4.488 -7.520 1.00 0.00 N ATOM 182 CA GLU A 12 -8.273 -5.335 -7.948 1.00 0.00 C ATOM 183 C GLU A 12 -8.158 -5.353 -9.468 1.00 0.00 C ATOM 184 O GLU A 12 -9.059 -5.806 -10.171 1.00 0.00 O ATOM 185 CB GLU A 12 -8.463 -6.759 -7.423 1.00 0.00 C ATOM 186 CG GLU A 12 -8.798 -6.820 -5.942 1.00 0.00 C ATOM 187 CD GLU A 12 -9.842 -7.872 -5.623 1.00 0.00 C ATOM 188 OE1 GLU A 12 -9.472 -9.058 -5.496 1.00 0.00 O ATOM 189 OE2 GLU A 12 -11.031 -7.510 -5.500 1.00 0.00 O ATOM 0 H GLU A 12 -10.298 -4.800 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.351 -4.923 -7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.260 -7.243 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.552 -7.329 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.890 -7.031 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.158 -5.845 -5.614 1.00 0.00 H new ATOM 196 N ARG A 13 -7.030 -4.857 -9.959 1.00 0.00 N ATOM 197 CA ARG A 13 -6.753 -4.805 -11.384 1.00 0.00 C ATOM 198 C ARG A 13 -5.248 -4.760 -11.599 1.00 0.00 C ATOM 199 O ARG A 13 -4.510 -4.334 -10.713 1.00 0.00 O ATOM 200 CB ARG A 13 -7.445 -3.579 -12.004 1.00 0.00 C ATOM 201 CG ARG A 13 -6.795 -3.036 -13.276 1.00 0.00 C ATOM 202 CD ARG A 13 -6.082 -1.724 -13.014 1.00 0.00 C ATOM 203 NE ARG A 13 -6.735 -0.600 -13.680 1.00 0.00 N ATOM 204 CZ ARG A 13 -6.201 0.616 -13.776 1.00 0.00 C ATOM 205 NH1 ARG A 13 -5.009 0.867 -13.249 1.00 0.00 N ATOM 206 NH2 ARG A 13 -6.861 1.583 -14.398 1.00 0.00 N ATOM 0 H ARG A 13 -6.282 -4.479 -9.378 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.146 -5.695 -11.875 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.479 -3.841 -12.227 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.471 -2.782 -11.260 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.085 -3.767 -13.665 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.556 -2.892 -14.043 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.048 -1.539 -11.940 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.050 -1.798 -13.357 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.653 -0.756 -14.096 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.498 0.127 -12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.604 1.800 -13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.778 1.396 -14.803 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.452 2.514 -14.471 1.00 0.00 H new ATOM 220 N GLU A 14 -4.784 -5.178 -12.769 1.00 0.00 N ATOM 221 CA GLU A 14 -3.357 -5.143 -13.050 1.00 0.00 C ATOM 222 C GLU A 14 -2.835 -3.730 -12.806 1.00 0.00 C ATOM 223 O GLU A 14 -3.120 -2.821 -13.583 1.00 0.00 O ATOM 224 CB GLU A 14 -3.085 -5.562 -14.495 1.00 0.00 C ATOM 225 CG GLU A 14 -3.745 -4.659 -15.522 1.00 0.00 C ATOM 226 CD GLU A 14 -3.943 -5.344 -16.860 1.00 0.00 C ATOM 227 OE1 GLU A 14 -4.483 -6.471 -16.877 1.00 0.00 O ATOM 228 OE2 GLU A 14 -3.556 -4.755 -17.891 1.00 0.00 O ATOM 0 H GLU A 14 -5.364 -5.539 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.844 -5.843 -12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.009 -5.568 -14.667 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.437 -6.583 -14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.711 -4.328 -15.141 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.134 -3.767 -15.662 1.00 0.00 H new ATOM 235 N ASP A 15 -2.098 -3.565 -11.703 1.00 0.00 N ATOM 236 CA ASP A 15 -1.533 -2.268 -11.295 1.00 0.00 C ATOM 237 C ASP A 15 -2.314 -1.676 -10.119 1.00 0.00 C ATOM 238 O ASP A 15 -1.826 -0.783 -9.427 1.00 0.00 O ATOM 239 CB ASP A 15 -1.504 -1.263 -12.454 1.00 0.00 C ATOM 240 CG ASP A 15 -0.368 -0.266 -12.324 1.00 0.00 C ATOM 241 OD1 ASP A 15 0.792 -0.653 -12.576 1.00 0.00 O ATOM 242 OD2 ASP A 15 -0.639 0.899 -11.969 1.00 0.00 O ATOM 0 H ASP A 15 -1.874 -4.328 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.505 -2.457 -10.985 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.405 -1.802 -13.396 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.452 -0.727 -12.491 1.00 0.00 H new ATOM 247 N GLU A 16 -3.526 -2.180 -9.896 1.00 0.00 N ATOM 248 CA GLU A 16 -4.371 -1.709 -8.808 1.00 0.00 C ATOM 249 C GLU A 16 -4.577 -2.814 -7.776 1.00 0.00 C ATOM 250 O GLU A 16 -4.737 -3.984 -8.125 1.00 0.00 O ATOM 251 CB GLU A 16 -5.722 -1.242 -9.364 1.00 0.00 C ATOM 252 CG GLU A 16 -6.845 -1.214 -8.344 1.00 0.00 C ATOM 253 CD GLU A 16 -7.605 0.098 -8.342 1.00 0.00 C ATOM 254 OE1 GLU A 16 -8.324 0.370 -9.327 1.00 0.00 O ATOM 255 OE2 GLU A 16 -7.479 0.856 -7.357 1.00 0.00 O ATOM 0 H GLU A 16 -3.944 -2.920 -10.460 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.879 -0.869 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.603 -0.243 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.010 -1.899 -10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.538 -2.030 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.432 -1.391 -7.351 1.00 0.00 H new ATOM 262 N LEU A 17 -4.581 -2.430 -6.505 1.00 0.00 N ATOM 263 CA LEU A 17 -4.778 -3.384 -5.422 1.00 0.00 C ATOM 264 C LEU A 17 -5.867 -2.908 -4.464 1.00 0.00 C ATOM 265 O LEU A 17 -6.071 -1.708 -4.281 1.00 0.00 O ATOM 266 CB LEU A 17 -3.466 -3.607 -4.667 1.00 0.00 C ATOM 267 CG LEU A 17 -2.618 -2.354 -4.438 1.00 0.00 C ATOM 268 CD1 LEU A 17 -3.454 -1.237 -3.833 1.00 0.00 C ATOM 269 CD2 LEU A 17 -1.427 -2.667 -3.543 1.00 0.00 C ATOM 0 H LEU A 17 -4.450 -1.466 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.100 -4.330 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.695 -4.052 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.869 -4.333 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.246 -2.018 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.829 -0.357 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.272 -0.988 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.861 -1.564 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.837 -1.763 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.782 -3.033 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.808 -3.430 -4.015 1.00 0.00 H new ATOM 281 N SER A 18 -6.570 -3.861 -3.859 1.00 0.00 N ATOM 282 CA SER A 18 -7.642 -3.554 -2.921 1.00 0.00 C ATOM 283 C SER A 18 -7.076 -3.151 -1.561 1.00 0.00 C ATOM 284 O SER A 18 -6.014 -3.623 -1.156 1.00 0.00 O ATOM 285 CB SER A 18 -8.587 -4.750 -2.777 1.00 0.00 C ATOM 286 OG SER A 18 -8.221 -5.569 -1.679 1.00 0.00 O ATOM 0 H SER A 18 -6.414 -4.859 -4.004 1.00 0.00 H new ATOM 0 HA SER A 18 -8.209 -2.711 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.609 -4.394 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.572 -5.340 -3.694 1.00 0.00 H new ATOM 0 HG SER A 18 -8.843 -6.323 -1.612 1.00 0.00 H new ATOM 292 N LEU A 19 -7.786 -2.266 -0.865 1.00 0.00 N ATOM 293 CA LEU A 19 -7.344 -1.792 0.444 1.00 0.00 C ATOM 294 C LEU A 19 -7.977 -2.610 1.565 1.00 0.00 C ATOM 295 O LEU A 19 -9.095 -3.108 1.430 1.00 0.00 O ATOM 296 CB LEU A 19 -7.701 -0.313 0.618 1.00 0.00 C ATOM 297 CG LEU A 19 -6.572 0.666 0.317 1.00 0.00 C ATOM 298 CD1 LEU A 19 -5.429 0.471 1.301 1.00 0.00 C ATOM 299 CD2 LEU A 19 -6.094 0.493 -1.115 1.00 0.00 C ATOM 0 H LEU A 19 -8.667 -1.864 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.262 -1.911 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.545 -0.080 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.035 -0.154 1.643 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.947 1.683 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.630 1.176 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.789 0.644 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.048 -0.547 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.288 1.198 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.730 -0.525 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.921 0.681 -1.800 1.00 0.00 H new ATOM 311 N VAL A 20 -7.249 -2.748 2.669 1.00 0.00 N ATOM 312 CA VAL A 20 -7.733 -3.509 3.816 1.00 0.00 C ATOM 313 C VAL A 20 -8.378 -2.598 4.853 1.00 0.00 C ATOM 314 O VAL A 20 -8.206 -1.380 4.819 1.00 0.00 O ATOM 315 CB VAL A 20 -6.602 -4.309 4.493 1.00 0.00 C ATOM 316 CG1 VAL A 20 -7.173 -5.510 5.232 1.00 0.00 C ATOM 317 CG2 VAL A 20 -5.561 -4.750 3.473 1.00 0.00 C ATOM 0 H VAL A 20 -6.321 -2.343 2.794 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.477 -4.205 3.429 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.109 -3.659 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.363 -6.065 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.873 -5.169 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.693 -6.158 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.774 -5.312 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.034 -5.381 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.129 -3.873 2.992 1.00 0.00 H new ATOM 327 N LYS A 21 -9.122 -3.201 5.773 1.00 0.00 N ATOM 328 CA LYS A 21 -9.799 -2.449 6.825 1.00 0.00 C ATOM 329 C LYS A 21 -8.795 -1.823 7.789 1.00 0.00 C ATOM 330 O LYS A 21 -9.009 -0.717 8.284 1.00 0.00 O ATOM 331 CB LYS A 21 -10.764 -3.355 7.594 1.00 0.00 C ATOM 332 CG LYS A 21 -10.182 -4.718 7.937 1.00 0.00 C ATOM 333 CD LYS A 21 -10.985 -5.852 7.315 1.00 0.00 C ATOM 334 CE LYS A 21 -11.061 -5.730 5.801 1.00 0.00 C ATOM 335 NZ LYS A 21 -12.205 -6.499 5.238 1.00 0.00 N ATOM 0 H LYS A 21 -9.272 -4.209 5.812 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.364 -1.647 6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.062 -2.855 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.668 -3.495 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.150 -4.770 7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.159 -4.841 9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.530 -6.807 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.993 -5.853 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.159 -4.680 5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.131 -6.089 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.221 -6.390 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.099 -7.505 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.095 -6.140 5.638 1.00 0.00 H new ATOM 349 N GLY A 22 -7.702 -2.534 8.056 1.00 0.00 N ATOM 350 CA GLY A 22 -6.696 -2.016 8.964 1.00 0.00 C ATOM 351 C GLY A 22 -5.486 -2.922 9.098 1.00 0.00 C ATOM 352 O GLY A 22 -4.863 -2.982 10.158 1.00 0.00 O ATOM 0 H GLY A 22 -7.497 -3.452 7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.371 -1.036 8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.144 -1.871 9.947 1.00 0.00 H new ATOM 356 N SER A 23 -5.150 -3.624 8.024 1.00 0.00 N ATOM 357 CA SER A 23 -4.005 -4.525 8.031 1.00 0.00 C ATOM 358 C SER A 23 -2.702 -3.750 7.865 1.00 0.00 C ATOM 359 O SER A 23 -2.704 -2.521 7.802 1.00 0.00 O ATOM 360 CB SER A 23 -4.138 -5.569 6.924 1.00 0.00 C ATOM 361 OG SER A 23 -4.268 -6.873 7.463 1.00 0.00 O ATOM 0 H SER A 23 -5.653 -3.587 7.138 1.00 0.00 H new ATOM 0 HA SER A 23 -3.984 -5.034 8.995 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.006 -5.340 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.264 -5.527 6.274 1.00 0.00 H new ATOM 0 HG SER A 23 -4.353 -7.522 6.733 1.00 0.00 H new ATOM 367 N ARG A 24 -1.590 -4.475 7.793 1.00 0.00 N ATOM 368 CA ARG A 24 -0.281 -3.853 7.633 1.00 0.00 C ATOM 369 C ARG A 24 0.405 -4.330 6.357 1.00 0.00 C ATOM 370 O ARG A 24 0.195 -5.456 5.907 1.00 0.00 O ATOM 371 CB ARG A 24 0.596 -4.135 8.844 1.00 0.00 C ATOM 372 CG ARG A 24 -0.033 -3.714 10.159 1.00 0.00 C ATOM 373 CD ARG A 24 0.661 -2.494 10.741 1.00 0.00 C ATOM 374 NE ARG A 24 0.588 -2.466 12.199 1.00 0.00 N ATOM 375 CZ ARG A 24 1.385 -3.176 12.994 1.00 0.00 C ATOM 376 NH1 ARG A 24 2.309 -3.977 12.478 1.00 0.00 N ATOM 377 NH2 ARG A 24 1.260 -3.083 14.311 1.00 0.00 N ATOM 0 H ARG A 24 -1.570 -5.494 7.843 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.430 -2.776 7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.818 -5.202 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.547 -3.616 8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.089 -3.494 10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.021 -4.538 10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.706 -2.489 10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.204 -1.590 10.338 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.115 -1.868 12.633 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.412 -4.051 11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.916 -4.518 13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.553 -2.468 14.714 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.870 -3.627 14.921 1.00 0.00 H new ATOM 391 N VAL A 25 1.211 -3.451 5.770 1.00 0.00 N ATOM 392 CA VAL A 25 1.920 -3.750 4.531 1.00 0.00 C ATOM 393 C VAL A 25 3.436 -3.658 4.711 1.00 0.00 C ATOM 394 O VAL A 25 3.920 -3.111 5.701 1.00 0.00 O ATOM 395 CB VAL A 25 1.485 -2.785 3.409 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.131 -3.162 2.084 1.00 0.00 C ATOM 397 CG2 VAL A 25 -0.030 -2.763 3.288 1.00 0.00 C ATOM 0 H VAL A 25 1.390 -2.516 6.137 1.00 0.00 H new ATOM 0 HA VAL A 25 1.664 -4.773 4.256 1.00 0.00 H new ATOM 0 HB VAL A 25 1.824 -1.782 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.807 -2.466 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.216 -3.117 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.833 -4.174 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.322 -2.078 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.391 -3.765 3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.465 -2.431 4.230 1.00 0.00 H new ATOM 407 N THR A 26 4.180 -4.188 3.741 1.00 0.00 N ATOM 408 CA THR A 26 5.638 -4.156 3.781 1.00 0.00 C ATOM 409 C THR A 26 6.132 -2.788 3.320 1.00 0.00 C ATOM 410 O THR A 26 5.552 -2.191 2.414 1.00 0.00 O ATOM 411 CB THR A 26 6.243 -5.267 2.914 1.00 0.00 C ATOM 412 OG1 THR A 26 6.374 -4.837 1.582 1.00 0.00 O ATOM 413 CG2 THR A 26 5.439 -6.551 2.913 1.00 0.00 C ATOM 0 H THR A 26 3.793 -4.646 2.916 1.00 0.00 H new ATOM 0 HA THR A 26 5.961 -4.328 4.808 1.00 0.00 H new ATOM 0 HB THR A 26 7.214 -5.480 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.634 -4.235 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.931 -7.288 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.369 -6.937 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.438 -6.353 2.531 1.00 0.00 H new ATOM 421 N VAL A 27 7.173 -2.271 3.972 1.00 0.00 N ATOM 422 CA VAL A 27 7.686 -0.947 3.635 1.00 0.00 C ATOM 423 C VAL A 27 7.972 -0.855 2.141 1.00 0.00 C ATOM 424 O VAL A 27 9.004 -1.307 1.644 1.00 0.00 O ATOM 425 CB VAL A 27 8.972 -0.620 4.423 1.00 0.00 C ATOM 426 CG1 VAL A 27 10.062 -1.638 4.118 1.00 0.00 C ATOM 427 CG2 VAL A 27 9.450 0.791 4.112 1.00 0.00 C ATOM 0 H VAL A 27 7.671 -2.743 4.727 1.00 0.00 H new ATOM 0 HA VAL A 27 6.920 -0.221 3.908 1.00 0.00 H new ATOM 0 HB VAL A 27 8.743 -0.674 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.960 -1.390 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.719 -2.634 4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.288 -1.621 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.358 1.001 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.659 0.878 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.676 1.507 4.389 1.00 0.00 H new ATOM 437 N MET A 28 6.998 -0.282 1.444 1.00 0.00 N ATOM 438 CA MET A 28 7.033 -0.117 -0.005 1.00 0.00 C ATOM 439 C MET A 28 8.347 0.479 -0.499 1.00 0.00 C ATOM 440 O MET A 28 9.278 0.712 0.271 1.00 0.00 O ATOM 441 CB MET A 28 5.864 0.766 -0.461 1.00 0.00 C ATOM 442 CG MET A 28 4.598 0.589 0.366 1.00 0.00 C ATOM 443 SD MET A 28 3.095 0.712 -0.619 1.00 0.00 S ATOM 444 CE MET A 28 2.341 -0.875 -0.275 1.00 0.00 C ATOM 0 H MET A 28 6.150 0.086 1.875 1.00 0.00 H new ATOM 0 HA MET A 28 6.945 -1.113 -0.439 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.172 1.811 -0.417 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.639 0.544 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.625 -0.383 0.859 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.575 1.344 1.152 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.090 -1.369 -1.213 1.00 0.00 H new ATOM 0 HE2 MET A 28 3.039 -1.496 0.286 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.434 -0.727 0.312 1.00 0.00 H new ATOM 454 N GLU A 29 8.396 0.715 -1.806 1.00 0.00 N ATOM 455 CA GLU A 29 9.568 1.277 -2.465 1.00 0.00 C ATOM 456 C GLU A 29 9.427 2.785 -2.623 1.00 0.00 C ATOM 457 O GLU A 29 8.323 3.319 -2.553 1.00 0.00 O ATOM 458 CB GLU A 29 9.748 0.620 -3.845 1.00 0.00 C ATOM 459 CG GLU A 29 9.193 1.431 -5.012 1.00 0.00 C ATOM 460 CD GLU A 29 9.502 0.802 -6.356 1.00 0.00 C ATOM 461 OE1 GLU A 29 9.661 -0.436 -6.411 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.586 1.549 -7.355 1.00 0.00 O ATOM 0 H GLU A 29 7.621 0.521 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 29 10.445 1.077 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.811 0.445 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.262 -0.356 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.113 1.530 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.610 2.438 -4.981 1.00 0.00 H new ATOM 469 N LYS A 30 10.541 3.466 -2.859 1.00 0.00 N ATOM 470 CA LYS A 30 10.514 4.902 -3.058 1.00 0.00 C ATOM 471 C LYS A 30 10.039 5.207 -4.473 1.00 0.00 C ATOM 472 O LYS A 30 10.342 4.467 -5.407 1.00 0.00 O ATOM 473 CB LYS A 30 11.895 5.513 -2.816 1.00 0.00 C ATOM 474 CG LYS A 30 12.248 5.664 -1.344 1.00 0.00 C ATOM 475 CD LYS A 30 11.105 6.271 -0.544 1.00 0.00 C ATOM 476 CE LYS A 30 10.252 5.198 0.112 1.00 0.00 C ATOM 477 NZ LYS A 30 10.765 4.824 1.458 1.00 0.00 N ATOM 0 H LYS A 30 11.469 3.046 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 30 9.823 5.345 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.648 4.890 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.938 6.492 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.502 4.688 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.133 6.292 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.508 6.935 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.484 6.880 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.226 5.555 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.228 4.314 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.155 4.090 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.735 4.459 1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.764 5.661 2.075 1.00 0.00 H new ATOM 491 N CYS A 31 9.285 6.287 -4.631 1.00 0.00 N ATOM 492 CA CYS A 31 8.768 6.658 -5.940 1.00 0.00 C ATOM 493 C CYS A 31 9.545 7.835 -6.514 1.00 0.00 C ATOM 494 O CYS A 31 9.969 8.727 -5.781 1.00 0.00 O ATOM 495 CB CYS A 31 7.276 7.013 -5.842 1.00 0.00 C ATOM 496 SG CYS A 31 6.659 8.106 -7.151 1.00 0.00 S ATOM 0 H CYS A 31 9.020 6.917 -3.874 1.00 0.00 H new ATOM 0 HA CYS A 31 8.888 5.805 -6.608 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.697 6.090 -5.858 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.094 7.487 -4.878 1.00 0.00 H new ATOM 0 HG CYS A 31 6.595 7.449 -8.271 1.00 0.00 H new ATOM 502 N SER A 32 9.711 7.845 -7.831 1.00 0.00 N ATOM 503 CA SER A 32 10.417 8.932 -8.487 1.00 0.00 C ATOM 504 C SER A 32 9.427 9.995 -8.950 1.00 0.00 C ATOM 505 O SER A 32 9.642 11.189 -8.740 1.00 0.00 O ATOM 506 CB SER A 32 11.218 8.404 -9.678 1.00 0.00 C ATOM 507 OG SER A 32 12.099 9.394 -10.178 1.00 0.00 O ATOM 0 H SER A 32 9.369 7.118 -8.459 1.00 0.00 H new ATOM 0 HA SER A 32 11.109 9.380 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.787 7.525 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.536 8.087 -10.467 1.00 0.00 H new ATOM 0 HG SER A 32 12.601 9.032 -10.938 1.00 0.00 H new ATOM 513 N ASP A 33 8.332 9.553 -9.566 1.00 0.00 N ATOM 514 CA ASP A 33 7.306 10.475 -10.038 1.00 0.00 C ATOM 515 C ASP A 33 5.908 9.859 -9.961 1.00 0.00 C ATOM 516 O ASP A 33 5.489 9.145 -10.872 1.00 0.00 O ATOM 517 CB ASP A 33 7.603 10.906 -11.474 1.00 0.00 C ATOM 518 CG ASP A 33 8.891 11.700 -11.582 1.00 0.00 C ATOM 519 OD1 ASP A 33 8.997 12.752 -10.919 1.00 0.00 O ATOM 520 OD2 ASP A 33 9.794 11.268 -12.331 1.00 0.00 O ATOM 0 H ASP A 33 8.135 8.569 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 33 7.324 11.347 -9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.669 10.023 -12.110 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.775 11.508 -11.849 1.00 0.00 H new ATOM 525 N GLY A 34 5.176 10.167 -8.894 1.00 0.00 N ATOM 526 CA GLY A 34 3.814 9.666 -8.744 1.00 0.00 C ATOM 527 C GLY A 34 3.689 8.152 -8.587 1.00 0.00 C ATOM 528 O GLY A 34 2.876 7.684 -7.789 1.00 0.00 O ATOM 0 H GLY A 34 5.500 10.756 -8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.363 10.143 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.233 9.974 -9.614 1.00 0.00 H new ATOM 532 N TRP A 35 4.454 7.378 -9.357 1.00 0.00 N ATOM 533 CA TRP A 35 4.363 5.920 -9.291 1.00 0.00 C ATOM 534 C TRP A 35 5.120 5.351 -8.092 1.00 0.00 C ATOM 535 O TRP A 35 6.347 5.411 -8.024 1.00 0.00 O ATOM 536 CB TRP A 35 4.881 5.295 -10.594 1.00 0.00 C ATOM 537 CG TRP A 35 6.377 5.294 -10.721 1.00 0.00 C ATOM 538 CD1 TRP A 35 7.199 6.382 -10.772 1.00 0.00 C ATOM 539 CD2 TRP A 35 7.225 4.144 -10.815 1.00 0.00 C ATOM 540 NE1 TRP A 35 8.507 5.980 -10.893 1.00 0.00 N ATOM 541 CE2 TRP A 35 8.550 4.610 -10.921 1.00 0.00 C ATOM 542 CE3 TRP A 35 6.995 2.765 -10.820 1.00 0.00 C ATOM 543 CZ2 TRP A 35 9.638 3.747 -11.030 1.00 0.00 C ATOM 544 CZ3 TRP A 35 8.076 1.909 -10.928 1.00 0.00 C ATOM 545 CH2 TRP A 35 9.383 2.402 -11.031 1.00 0.00 C ATOM 0 H TRP A 35 5.137 7.732 -10.027 1.00 0.00 H new ATOM 0 HA TRP A 35 3.311 5.664 -9.163 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.521 4.268 -10.660 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.456 5.837 -11.439 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.869 7.409 -10.724 1.00 0.00 H new ATOM 0 HE1 TRP A 35 9.315 6.600 -10.952 1.00 0.00 H new ATOM 0 HE3 TRP A 35 5.991 2.375 -10.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.646 4.125 -11.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.909 0.842 -10.933 1.00 0.00 H new ATOM 0 HH2 TRP A 35 10.206 1.707 -11.113 1.00 0.00 H new ATOM 556 N TRP A 36 4.364 4.787 -7.155 1.00 0.00 N ATOM 557 CA TRP A 36 4.932 4.192 -5.957 1.00 0.00 C ATOM 558 C TRP A 36 4.640 2.694 -5.909 1.00 0.00 C ATOM 559 O TRP A 36 3.487 2.276 -5.994 1.00 0.00 O ATOM 560 CB TRP A 36 4.354 4.867 -4.708 1.00 0.00 C ATOM 561 CG TRP A 36 5.369 5.583 -3.872 1.00 0.00 C ATOM 562 CD1 TRP A 36 6.628 5.157 -3.576 1.00 0.00 C ATOM 563 CD2 TRP A 36 5.207 6.846 -3.214 1.00 0.00 C ATOM 564 NE1 TRP A 36 7.259 6.073 -2.766 1.00 0.00 N ATOM 565 CE2 TRP A 36 6.408 7.121 -2.535 1.00 0.00 C ATOM 566 CE3 TRP A 36 4.162 7.772 -3.134 1.00 0.00 C ATOM 567 CZ2 TRP A 36 6.594 8.280 -1.785 1.00 0.00 C ATOM 568 CZ3 TRP A 36 4.348 8.923 -2.392 1.00 0.00 C ATOM 569 CH2 TRP A 36 5.555 9.169 -1.725 1.00 0.00 C ATOM 0 H TRP A 36 3.347 4.731 -7.207 1.00 0.00 H new ATOM 0 HA TRP A 36 6.012 4.340 -5.982 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.586 5.577 -5.015 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.862 4.112 -4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.067 4.235 -3.926 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.206 5.986 -2.398 1.00 0.00 H new ATOM 0 HE3 TRP A 36 3.227 7.591 -3.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 7.524 8.470 -1.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.548 9.646 -2.325 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.668 10.078 -1.152 1.00 0.00 H new ATOM 580 N ARG A 37 5.687 1.892 -5.754 1.00 0.00 N ATOM 581 CA ARG A 37 5.532 0.445 -5.676 1.00 0.00 C ATOM 582 C ARG A 37 5.699 -0.031 -4.243 1.00 0.00 C ATOM 583 O ARG A 37 6.424 0.580 -3.460 1.00 0.00 O ATOM 584 CB ARG A 37 6.533 -0.271 -6.576 1.00 0.00 C ATOM 585 CG ARG A 37 6.008 -1.591 -7.117 1.00 0.00 C ATOM 586 CD ARG A 37 5.650 -1.492 -8.592 1.00 0.00 C ATOM 587 NE ARG A 37 6.392 -2.455 -9.400 1.00 0.00 N ATOM 588 CZ ARG A 37 6.136 -3.760 -9.418 1.00 0.00 C ATOM 589 NH1 ARG A 37 5.154 -4.261 -8.679 1.00 0.00 N ATOM 590 NH2 ARG A 37 6.862 -4.566 -10.180 1.00 0.00 N ATOM 0 H ARG A 37 6.650 2.219 -5.680 1.00 0.00 H new ATOM 0 HA ARG A 37 4.527 0.203 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.793 0.380 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.451 -0.453 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.761 -2.367 -6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.128 -1.893 -6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.581 -1.661 -8.718 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.858 -0.483 -8.949 1.00 0.00 H new ATOM 0 HE ARG A 37 7.151 -2.107 -9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.591 -3.644 -8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.962 -5.263 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.616 -4.185 -10.752 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.667 -5.567 -10.195 1.00 0.00 H new ATOM 604 N GLY A 38 5.021 -1.119 -3.903 1.00 0.00 N ATOM 605 CA GLY A 38 5.103 -1.650 -2.554 1.00 0.00 C ATOM 606 C GLY A 38 4.935 -3.156 -2.496 1.00 0.00 C ATOM 607 O GLY A 38 4.606 -3.793 -3.499 1.00 0.00 O ATOM 0 H GLY A 38 4.416 -1.644 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.067 -1.381 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.336 -1.181 -1.938 1.00 0.00 H new ATOM 611 N SER A 39 5.167 -3.727 -1.314 1.00 0.00 N ATOM 612 CA SER A 39 5.051 -5.169 -1.130 1.00 0.00 C ATOM 613 C SER A 39 4.228 -5.530 0.101 1.00 0.00 C ATOM 614 O SER A 39 4.091 -4.740 1.035 1.00 0.00 O ATOM 615 CB SER A 39 6.440 -5.810 -1.039 1.00 0.00 C ATOM 616 OG SER A 39 7.211 -5.521 -2.192 1.00 0.00 O ATOM 0 H SER A 39 5.435 -3.214 -0.474 1.00 0.00 H new ATOM 0 HA SER A 39 4.527 -5.561 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.956 -5.443 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.339 -6.889 -0.926 1.00 0.00 H new ATOM 0 HG SER A 39 8.093 -5.940 -2.109 1.00 0.00 H new ATOM 622 N TYR A 40 3.681 -6.739 0.081 1.00 0.00 N ATOM 623 CA TYR A 40 2.868 -7.244 1.178 1.00 0.00 C ATOM 624 C TYR A 40 3.238 -8.688 1.483 1.00 0.00 C ATOM 625 O TYR A 40 3.559 -9.457 0.577 1.00 0.00 O ATOM 626 CB TYR A 40 1.381 -7.171 0.828 1.00 0.00 C ATOM 627 CG TYR A 40 0.938 -5.826 0.306 1.00 0.00 C ATOM 628 CD1 TYR A 40 1.452 -5.318 -0.878 1.00 0.00 C ATOM 629 CD2 TYR A 40 0.007 -5.064 1.000 1.00 0.00 C ATOM 630 CE1 TYR A 40 1.056 -4.088 -1.356 1.00 0.00 C ATOM 631 CE2 TYR A 40 -0.397 -3.832 0.526 1.00 0.00 C ATOM 632 CZ TYR A 40 0.132 -3.349 -0.650 1.00 0.00 C ATOM 633 OH TYR A 40 -0.262 -2.120 -1.120 1.00 0.00 O ATOM 0 H TYR A 40 3.788 -7.394 -0.693 1.00 0.00 H new ATOM 0 HA TYR A 40 3.059 -6.623 2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.157 -7.931 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.797 -7.415 1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.175 -5.896 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.407 -5.441 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.467 -3.705 -2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.124 -3.251 1.074 1.00 0.00 H new ATOM 0 HH TYR A 40 0.264 -1.889 -1.914 1.00 0.00 H new ATOM 643 N ASN A 41 3.189 -9.058 2.755 1.00 0.00 N ATOM 644 CA ASN A 41 3.516 -10.422 3.153 1.00 0.00 C ATOM 645 C ASN A 41 2.552 -11.408 2.502 1.00 0.00 C ATOM 646 O ASN A 41 1.538 -11.783 3.091 1.00 0.00 O ATOM 647 CB ASN A 41 3.473 -10.570 4.678 1.00 0.00 C ATOM 648 CG ASN A 41 2.313 -9.822 5.308 1.00 0.00 C ATOM 649 OD1 ASN A 41 2.555 -8.574 5.692 1.00 0.00 O flip ATOM 650 ND2 ASN A 41 1.214 -10.359 5.448 1.00 0.00 N flip ATOM 0 H ASN A 41 2.929 -8.440 3.524 1.00 0.00 H new ATOM 0 HA ASN A 41 4.529 -10.642 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.400 -11.627 4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.408 -10.203 5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.073 -11.321 5.138 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.444 -9.842 5.874 1.00 0.00 H new ATOM 657 N GLY A 42 2.875 -11.823 1.278 1.00 0.00 N ATOM 658 CA GLY A 42 2.033 -12.756 0.565 1.00 0.00 C ATOM 659 C GLY A 42 1.687 -12.294 -0.842 1.00 0.00 C ATOM 660 O GLY A 42 1.198 -13.082 -1.652 1.00 0.00 O ATOM 0 H GLY A 42 3.708 -11.526 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.536 -13.721 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.112 -12.908 1.128 1.00 0.00 H new ATOM 664 N GLN A 43 1.938 -11.019 -1.141 1.00 0.00 N ATOM 665 CA GLN A 43 1.642 -10.476 -2.465 1.00 0.00 C ATOM 666 C GLN A 43 2.258 -9.092 -2.656 1.00 0.00 C ATOM 667 O GLN A 43 2.460 -8.351 -1.693 1.00 0.00 O ATOM 668 CB GLN A 43 0.130 -10.406 -2.687 1.00 0.00 C ATOM 669 CG GLN A 43 -0.581 -9.448 -1.744 1.00 0.00 C ATOM 670 CD GLN A 43 -2.012 -9.857 -1.470 1.00 0.00 C ATOM 671 OE1 GLN A 43 -2.904 -9.630 -2.289 1.00 0.00 O ATOM 672 NE2 GLN A 43 -2.238 -10.465 -0.314 1.00 0.00 N ATOM 0 H GLN A 43 2.343 -10.348 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 43 2.084 -11.148 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.064 -10.101 -3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.293 -11.403 -2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.034 -9.398 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.569 -8.446 -2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.468 -10.632 0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.182 -10.766 -0.072 1.00 0.00 H new ATOM 681 N ILE A 44 2.555 -8.753 -3.909 1.00 0.00 N ATOM 682 CA ILE A 44 3.152 -7.465 -4.244 1.00 0.00 C ATOM 683 C ILE A 44 2.319 -6.728 -5.293 1.00 0.00 C ATOM 684 O ILE A 44 1.540 -7.342 -6.021 1.00 0.00 O ATOM 685 CB ILE A 44 4.600 -7.657 -4.751 1.00 0.00 C ATOM 686 CG1 ILE A 44 5.536 -7.774 -3.557 1.00 0.00 C ATOM 687 CG2 ILE A 44 5.043 -6.513 -5.658 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.265 -8.984 -2.690 1.00 0.00 C ATOM 0 H ILE A 44 2.390 -9.358 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 44 3.172 -6.859 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 44 4.636 -8.570 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.564 -7.817 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.448 -6.874 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.066 -6.688 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.383 -6.459 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.997 -5.573 -5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.970 -9.002 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.248 -8.933 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.381 -9.891 -3.284 1.00 0.00 H new ATOM 700 N GLY A 45 2.493 -5.407 -5.366 1.00 0.00 N ATOM 701 CA GLY A 45 1.746 -4.625 -6.339 1.00 0.00 C ATOM 702 C GLY A 45 2.004 -3.130 -6.246 1.00 0.00 C ATOM 703 O GLY A 45 3.124 -2.699 -5.962 1.00 0.00 O ATOM 0 H GLY A 45 3.130 -4.871 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.002 -4.968 -7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.681 -4.811 -6.201 1.00 0.00 H new ATOM 707 N TRP A 46 0.959 -2.341 -6.495 1.00 0.00 N ATOM 708 CA TRP A 46 1.060 -0.884 -6.454 1.00 0.00 C ATOM 709 C TRP A 46 0.550 -0.344 -5.123 1.00 0.00 C ATOM 710 O TRP A 46 -0.450 -0.801 -4.601 1.00 0.00 O ATOM 711 CB TRP A 46 0.261 -0.267 -7.603 1.00 0.00 C ATOM 712 CG TRP A 46 0.929 0.922 -8.226 1.00 0.00 C ATOM 713 CD1 TRP A 46 2.271 1.123 -8.382 1.00 0.00 C ATOM 714 CD2 TRP A 46 0.284 2.077 -8.775 1.00 0.00 C ATOM 715 NE1 TRP A 46 2.500 2.332 -8.992 1.00 0.00 N ATOM 716 CE2 TRP A 46 1.295 2.937 -9.245 1.00 0.00 C ATOM 717 CE3 TRP A 46 -1.050 2.467 -8.914 1.00 0.00 C ATOM 718 CZ2 TRP A 46 1.012 4.162 -9.844 1.00 0.00 C ATOM 719 CZ3 TRP A 46 -1.331 3.683 -9.510 1.00 0.00 C ATOM 720 CH2 TRP A 46 -0.304 4.518 -9.968 1.00 0.00 C ATOM 0 H TRP A 46 0.029 -2.689 -6.728 1.00 0.00 H new ATOM 0 HA TRP A 46 2.110 -0.612 -6.561 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.098 -1.025 -8.369 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.721 0.030 -7.234 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.040 0.432 -8.071 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.417 2.717 -9.220 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.848 1.830 -8.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.802 4.808 -10.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.359 3.994 -9.624 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.555 5.462 -10.428 1.00 0.00 H new ATOM 731 N PHE A 47 1.261 0.624 -4.579 1.00 0.00 N ATOM 732 CA PHE A 47 0.917 1.217 -3.291 1.00 0.00 C ATOM 733 C PHE A 47 -0.522 1.733 -3.237 1.00 0.00 C ATOM 734 O PHE A 47 -1.013 2.347 -4.183 1.00 0.00 O ATOM 735 CB PHE A 47 1.871 2.371 -2.991 1.00 0.00 C ATOM 736 CG PHE A 47 1.571 3.628 -3.765 1.00 0.00 C ATOM 737 CD1 PHE A 47 1.249 3.575 -5.114 1.00 0.00 C ATOM 738 CD2 PHE A 47 1.611 4.863 -3.140 1.00 0.00 C ATOM 739 CE1 PHE A 47 0.973 4.729 -5.820 1.00 0.00 C ATOM 740 CE2 PHE A 47 1.335 6.021 -3.843 1.00 0.00 C ATOM 741 CZ PHE A 47 1.017 5.954 -5.185 1.00 0.00 C ATOM 0 H PHE A 47 2.093 1.025 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 47 1.009 0.429 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.831 2.594 -1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.890 2.054 -3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.214 2.620 -5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.861 4.922 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.723 4.673 -6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.368 6.978 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.803 6.858 -5.736 1.00 0.00 H new ATOM 751 N PRO A 48 -1.211 1.494 -2.100 1.00 0.00 N ATOM 752 CA PRO A 48 -2.577 1.926 -1.874 1.00 0.00 C ATOM 753 C PRO A 48 -2.638 3.193 -1.030 1.00 0.00 C ATOM 754 O PRO A 48 -3.596 3.405 -0.289 1.00 0.00 O ATOM 755 CB PRO A 48 -3.146 0.754 -1.078 1.00 0.00 C ATOM 756 CG PRO A 48 -1.973 0.140 -0.366 1.00 0.00 C ATOM 757 CD PRO A 48 -0.718 0.780 -0.919 1.00 0.00 C ATOM 0 HA PRO A 48 -3.108 2.161 -2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.902 1.092 -0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.627 0.031 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.047 0.307 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.953 -0.939 -0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.259 1.458 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.034 0.036 -1.181 1.00 0.00 H new ATOM 765 N SER A 49 -1.590 4.011 -1.135 1.00 0.00 N ATOM 766 CA SER A 49 -1.460 5.261 -0.376 1.00 0.00 C ATOM 767 C SER A 49 -2.797 5.940 -0.060 1.00 0.00 C ATOM 768 O SER A 49 -2.910 6.635 0.956 1.00 0.00 O ATOM 769 CB SER A 49 -0.561 6.235 -1.134 1.00 0.00 C ATOM 770 OG SER A 49 0.707 6.350 -0.510 1.00 0.00 O ATOM 0 H SER A 49 -0.800 3.826 -1.753 1.00 0.00 H new ATOM 0 HA SER A 49 -1.018 4.988 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.435 5.894 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.037 7.214 -1.180 1.00 0.00 H new ATOM 0 HG SER A 49 1.265 6.978 -1.015 1.00 0.00 H new ATOM 776 N ASN A 50 -3.806 5.741 -0.918 1.00 0.00 N ATOM 777 CA ASN A 50 -5.113 6.355 -0.727 1.00 0.00 C ATOM 778 C ASN A 50 -5.535 6.308 0.737 1.00 0.00 C ATOM 779 O ASN A 50 -6.178 7.232 1.235 1.00 0.00 O ATOM 780 CB ASN A 50 -6.137 5.636 -1.594 1.00 0.00 C ATOM 781 CG ASN A 50 -6.347 6.322 -2.925 1.00 0.00 C ATOM 782 OD1 ASN A 50 -5.545 6.173 -3.848 1.00 0.00 O ATOM 783 ND2 ASN A 50 -7.428 7.078 -3.032 1.00 0.00 N ATOM 0 H ASN A 50 -3.735 5.157 -1.751 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.054 7.403 -1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.809 4.611 -1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.087 5.583 -1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.624 7.566 -3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.065 7.172 -2.241 1.00 0.00 H new ATOM 790 N TYR A 51 -5.120 5.261 1.435 1.00 0.00 N ATOM 791 CA TYR A 51 -5.408 5.141 2.856 1.00 0.00 C ATOM 792 C TYR A 51 -4.416 4.191 3.510 1.00 0.00 C ATOM 793 O TYR A 51 -4.786 3.127 4.008 1.00 0.00 O ATOM 794 CB TYR A 51 -6.837 4.636 3.073 1.00 0.00 C ATOM 795 CG TYR A 51 -7.892 5.464 2.375 1.00 0.00 C ATOM 796 CD1 TYR A 51 -8.324 6.671 2.913 1.00 0.00 C ATOM 797 CD2 TYR A 51 -8.455 5.040 1.179 1.00 0.00 C ATOM 798 CE1 TYR A 51 -9.288 7.429 2.278 1.00 0.00 C ATOM 799 CE2 TYR A 51 -9.420 5.794 0.537 1.00 0.00 C ATOM 800 CZ TYR A 51 -9.833 6.987 1.090 1.00 0.00 C ATOM 801 OH TYR A 51 -10.792 7.740 0.454 1.00 0.00 O ATOM 0 H TYR A 51 -4.585 4.486 1.043 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.314 6.126 3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.905 3.607 2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.049 4.622 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.899 7.021 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.134 4.106 0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.614 8.364 2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.848 5.450 -0.393 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.070 7.288 -0.370 1.00 0.00 H new ATOM 811 N VAL A 52 -3.147 4.591 3.509 1.00 0.00 N ATOM 812 CA VAL A 52 -2.095 3.782 4.107 1.00 0.00 C ATOM 813 C VAL A 52 -1.095 4.633 4.884 1.00 0.00 C ATOM 814 O VAL A 52 -1.018 5.848 4.697 1.00 0.00 O ATOM 815 CB VAL A 52 -1.349 2.946 3.044 1.00 0.00 C ATOM 816 CG1 VAL A 52 -2.298 2.542 1.932 1.00 0.00 C ATOM 817 CG2 VAL A 52 -0.153 3.703 2.476 1.00 0.00 C ATOM 0 H VAL A 52 -2.825 5.469 3.101 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.587 3.105 4.805 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.971 2.047 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.759 1.953 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.112 1.947 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.706 3.435 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.348 3.085 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.495 4.627 2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.544 3.939 3.280 1.00 0.00 H new ATOM 827 N LEU A 53 -0.311 3.979 5.732 1.00 0.00 N ATOM 828 CA LEU A 53 0.708 4.657 6.511 1.00 0.00 C ATOM 829 C LEU A 53 2.043 3.940 6.357 1.00 0.00 C ATOM 830 O LEU A 53 2.177 2.778 6.737 1.00 0.00 O ATOM 831 CB LEU A 53 0.308 4.697 7.978 1.00 0.00 C ATOM 832 CG LEU A 53 1.085 5.682 8.836 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.192 7.026 8.134 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.428 5.832 10.199 1.00 0.00 C ATOM 0 H LEU A 53 -0.365 2.974 5.896 1.00 0.00 H new ATOM 0 HA LEU A 53 0.808 5.679 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.752 4.942 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.430 3.699 8.398 1.00 0.00 H new ATOM 0 HG LEU A 53 2.093 5.295 8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.751 7.721 8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.709 6.899 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.193 7.423 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.997 6.541 10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.591 6.198 10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.407 4.865 10.701 1.00 0.00 H new ATOM 846 N GLU A 54 3.027 4.632 5.795 1.00 0.00 N ATOM 847 CA GLU A 54 4.346 4.048 5.584 1.00 0.00 C ATOM 848 C GLU A 54 5.371 4.599 6.569 1.00 0.00 C ATOM 849 O GLU A 54 5.487 5.811 6.750 1.00 0.00 O ATOM 850 CB GLU A 54 4.812 4.302 4.149 1.00 0.00 C ATOM 851 CG GLU A 54 6.166 3.688 3.832 1.00 0.00 C ATOM 852 CD GLU A 54 7.187 4.718 3.393 1.00 0.00 C ATOM 853 OE1 GLU A 54 6.849 5.564 2.538 1.00 0.00 O ATOM 854 OE2 GLU A 54 8.326 4.679 3.902 1.00 0.00 O ATOM 0 H GLU A 54 2.937 5.597 5.478 1.00 0.00 H new ATOM 0 HA GLU A 54 4.263 2.975 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.070 3.901 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.860 5.377 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.539 3.166 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.047 2.942 3.046 1.00 0.00 H new ATOM 861 N GLU A 55 6.121 3.699 7.192 1.00 0.00 N ATOM 862 CA GLU A 55 7.148 4.083 8.145 1.00 0.00 C ATOM 863 C GLU A 55 8.529 3.995 7.502 1.00 0.00 C ATOM 864 O GLU A 55 8.937 2.932 7.034 1.00 0.00 O ATOM 865 CB GLU A 55 7.086 3.185 9.381 1.00 0.00 C ATOM 866 CG GLU A 55 5.675 2.906 9.856 1.00 0.00 C ATOM 867 CD GLU A 55 5.495 3.153 11.341 1.00 0.00 C ATOM 868 OE1 GLU A 55 5.903 4.232 11.818 1.00 0.00 O ATOM 869 OE2 GLU A 55 4.943 2.266 12.027 1.00 0.00 O ATOM 0 H GLU A 55 6.034 2.692 7.051 1.00 0.00 H new ATOM 0 HA GLU A 55 6.969 5.114 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.579 2.239 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.647 3.654 10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.979 3.535 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.419 1.871 9.631 1.00 0.00 H new ATOM 876 N VAL A 56 9.242 5.116 7.475 1.00 0.00 N ATOM 877 CA VAL A 56 10.571 5.155 6.882 1.00 0.00 C ATOM 878 C VAL A 56 11.616 4.593 7.839 1.00 0.00 C ATOM 879 O VAL A 56 12.281 5.339 8.558 1.00 0.00 O ATOM 880 CB VAL A 56 10.973 6.589 6.484 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.288 6.583 5.718 1.00 0.00 C ATOM 882 CG2 VAL A 56 9.874 7.245 5.660 1.00 0.00 C ATOM 0 H VAL A 56 8.922 6.006 7.856 1.00 0.00 H new ATOM 0 HA VAL A 56 10.532 4.537 5.985 1.00 0.00 H new ATOM 0 HB VAL A 56 11.110 7.172 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.555 7.604 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.072 6.158 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.180 5.983 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.177 8.256 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.701 6.663 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.956 7.286 6.245 1.00 0.00 H new ATOM 892 N ASP A 57 11.752 3.271 7.842 1.00 0.00 N ATOM 893 CA ASP A 57 12.714 2.602 8.709 1.00 0.00 C ATOM 894 C ASP A 57 14.134 3.064 8.406 1.00 0.00 C ATOM 895 O ASP A 57 14.705 3.804 9.235 1.00 0.00 O ATOM 896 CB ASP A 57 12.611 1.084 8.540 1.00 0.00 C ATOM 897 CG ASP A 57 13.494 0.332 9.516 1.00 0.00 C ATOM 898 OD1 ASP A 57 13.506 0.700 10.710 1.00 0.00 O ATOM 899 OD2 ASP A 57 14.172 -0.626 9.088 1.00 0.00 O ATOM 900 OXT ASP A 57 14.666 2.681 7.343 1.00 0.00 O ATOM 0 H ASP A 57 11.207 2.641 7.253 1.00 0.00 H new ATOM 0 HA ASP A 57 12.480 2.864 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.575 0.775 8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.889 0.815 7.521 1.00 0.00 H new TER 905 ASP A 57