USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 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 295 ASN : amide:sc= -0.78 K(o=-0.13,f=-9.9!) USER MOD Set 1.2: B 4 LYS NZ :NH3+ 173:sc= 0.65! (180deg=-0.0594!) USER MOD Single : A 291 MET CE :methyl 158:sc= -0.187 (180deg=-0.813) USER MOD Single : A 293 GLN : amide:sc=-0.00271 X(o=-0.0027,f=0) USER MOD Single : A 294 LYS NZ :NH3+ 132:sc= 0.0989 (180deg=-0.0705) USER MOD Single : A 310 CYS SG : rot 62:sc= -4.63! USER MOD Single : A 319 HIS : no HD1:sc= -0.817! C(o=-0.82!,f=-6.8!) USER MOD Single : A 324 SER OG : rot 44:sc= 0.0503 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 45:sc= 0.043 USER MOD Single : A 338 SER OG : rot 180:sc= 0.00312 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 342 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 344 THR OG1 : rot -80:sc= 1.41 USER MOD Single : A 346 GLN : amide:sc= -0.867 X(o=-0.87,f=-0.63) USER MOD Single : A 349 GLN : amide:sc= -0.907 K(o=-0.91,f=0) USER MOD Single : B 1 ALA N :NH3+ -112:sc= 1.39 (180deg=-0.245) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : B 5 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.72) USER MOD Single : B 6 THR OG1 : rot 172:sc= 1 USER MOD Single : B 9 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.99) USER MOD Single : B 10 SER OG : rot -23:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 289 7.630 -14.727 10.316 1.00 7.93 N ATOM 2 CA GLY A 289 8.109 -15.166 8.987 1.00 7.32 C ATOM 3 C GLY A 289 6.967 -15.368 8.016 1.00 6.42 C ATOM 4 O GLY A 289 6.202 -16.325 8.137 1.00 6.32 O ATOM 0 HA2 GLY A 289 8.800 -14.424 8.586 1.00 7.32 H new ATOM 0 HA3 GLY A 289 8.666 -16.097 9.091 1.00 7.32 H new ATOM 10 N ALA A 290 6.842 -14.459 7.058 1.00 6.11 N ATOM 11 CA ALA A 290 5.799 -14.546 6.050 1.00 5.56 C ATOM 12 C ALA A 290 6.116 -15.645 5.045 1.00 4.65 C ATOM 13 O ALA A 290 6.833 -15.422 4.072 1.00 4.88 O ATOM 14 CB ALA A 290 5.633 -13.205 5.347 1.00 6.29 C ATOM 0 H ALA A 290 7.455 -13.649 6.960 1.00 6.11 H new ATOM 0 HA ALA A 290 4.859 -14.797 6.542 1.00 5.56 H new ATOM 0 HB1 ALA A 290 4.849 -13.283 4.594 1.00 6.29 H new ATOM 0 HB2 ALA A 290 5.360 -12.443 6.077 1.00 6.29 H new ATOM 0 HB3 ALA A 290 6.571 -12.928 4.866 1.00 6.29 H new ATOM 20 N MET A 291 5.588 -16.835 5.294 1.00 4.01 N ATOM 21 CA MET A 291 5.840 -17.977 4.425 1.00 3.50 C ATOM 22 C MET A 291 4.764 -18.097 3.363 1.00 2.71 C ATOM 23 O MET A 291 4.861 -18.910 2.447 1.00 3.00 O ATOM 24 CB MET A 291 5.923 -19.272 5.238 1.00 4.13 C ATOM 25 CG MET A 291 4.609 -19.673 5.895 1.00 4.78 C ATOM 26 SD MET A 291 4.760 -21.152 6.916 1.00 5.58 S ATOM 27 CE MET A 291 5.939 -20.596 8.146 1.00 6.45 C ATOM 0 H MET A 291 4.983 -17.035 6.090 1.00 4.01 H new ATOM 0 HA MET A 291 6.798 -17.814 3.931 1.00 3.50 H new ATOM 0 HB2 MET A 291 6.252 -20.080 4.584 1.00 4.13 H new ATOM 0 HB3 MET A 291 6.684 -19.157 6.010 1.00 4.13 H new ATOM 0 HG2 MET A 291 4.249 -18.848 6.510 1.00 4.78 H new ATOM 0 HG3 MET A 291 3.860 -19.845 5.122 1.00 4.78 H new ATOM 0 HE1 MET A 291 5.849 -21.212 9.041 1.00 6.45 H new ATOM 0 HE2 MET A 291 6.949 -20.681 7.746 1.00 6.45 H new ATOM 0 HE3 MET A 291 5.736 -19.556 8.400 1.00 6.45 H new ATOM 37 N ALA A 292 3.744 -17.279 3.504 1.00 2.40 N ATOM 38 CA ALA A 292 2.632 -17.256 2.561 1.00 2.26 C ATOM 39 C ALA A 292 2.378 -15.841 2.054 1.00 1.90 C ATOM 40 O ALA A 292 1.550 -15.616 1.174 1.00 2.49 O ATOM 41 CB ALA A 292 1.378 -17.823 3.211 1.00 3.16 C ATOM 0 H ALA A 292 3.656 -16.611 4.270 1.00 2.40 H new ATOM 0 HA ALA A 292 2.895 -17.879 1.706 1.00 2.26 H new ATOM 0 HB1 ALA A 292 0.555 -17.800 2.496 1.00 3.16 H new ATOM 0 HB2 ALA A 292 1.562 -18.852 3.520 1.00 3.16 H new ATOM 0 HB3 ALA A 292 1.117 -17.224 4.083 1.00 3.16 H new ATOM 47 N GLN A 293 3.115 -14.892 2.606 1.00 1.56 N ATOM 48 CA GLN A 293 2.945 -13.489 2.256 1.00 1.58 C ATOM 49 C GLN A 293 4.220 -12.956 1.615 1.00 1.07 C ATOM 50 O GLN A 293 5.313 -13.443 1.907 1.00 1.32 O ATOM 51 CB GLN A 293 2.598 -12.671 3.501 1.00 2.27 C ATOM 52 CG GLN A 293 1.414 -13.222 4.278 1.00 3.06 C ATOM 53 CD GLN A 293 1.198 -12.505 5.594 1.00 4.01 C ATOM 54 OE1 GLN A 293 1.785 -12.868 6.612 1.00 4.60 O ATOM 55 NE2 GLN A 293 0.338 -11.498 5.593 1.00 4.62 N ATOM 0 H GLN A 293 3.840 -15.067 3.301 1.00 1.56 H new ATOM 0 HA GLN A 293 2.126 -13.400 1.542 1.00 1.58 H new ATOM 0 HB2 GLN A 293 3.468 -12.636 4.157 1.00 2.27 H new ATOM 0 HB3 GLN A 293 2.381 -11.645 3.203 1.00 2.27 H new ATOM 0 HG2 GLN A 293 0.513 -13.137 3.670 1.00 3.06 H new ATOM 0 HG3 GLN A 293 1.571 -14.284 4.468 1.00 3.06 H new ATOM 0 HE21 GLN A 293 -0.129 -11.227 4.728 1.00 4.62 H new ATOM 0 HE22 GLN A 293 0.143 -10.993 6.458 1.00 4.62 H new ATOM 64 N LYS A 294 4.082 -11.967 0.746 1.00 0.91 N ATOM 65 CA LYS A 294 5.217 -11.392 0.054 1.00 0.64 C ATOM 66 C LYS A 294 5.049 -9.884 -0.028 1.00 0.53 C ATOM 67 O LYS A 294 3.927 -9.380 -0.039 1.00 0.75 O ATOM 68 CB LYS A 294 5.324 -11.997 -1.345 1.00 1.16 C ATOM 69 CG LYS A 294 6.519 -11.526 -2.144 1.00 1.84 C ATOM 70 CD LYS A 294 7.809 -12.151 -1.635 1.00 1.95 C ATOM 71 CE LYS A 294 9.003 -11.769 -2.498 1.00 2.86 C ATOM 72 NZ LYS A 294 9.255 -10.304 -2.487 1.00 3.40 N ATOM 0 H LYS A 294 3.185 -11.545 0.504 1.00 0.91 H new ATOM 0 HA LYS A 294 6.133 -11.614 0.601 1.00 0.64 H new ATOM 0 HB2 LYS A 294 5.368 -13.082 -1.255 1.00 1.16 H new ATOM 0 HB3 LYS A 294 4.416 -11.760 -1.900 1.00 1.16 H new ATOM 0 HG2 LYS A 294 6.379 -11.781 -3.195 1.00 1.84 H new ATOM 0 HG3 LYS A 294 6.592 -10.440 -2.086 1.00 1.84 H new ATOM 0 HD2 LYS A 294 7.986 -11.832 -0.608 1.00 1.95 H new ATOM 0 HD3 LYS A 294 7.705 -13.236 -1.618 1.00 1.95 H new ATOM 0 HE2 LYS A 294 9.890 -12.292 -2.140 1.00 2.86 H new ATOM 0 HE3 LYS A 294 8.830 -12.099 -3.522 1.00 2.86 H new ATOM 0 HZ1 LYS A 294 10.265 -10.127 -2.313 1.00 3.40 H new ATOM 0 HZ2 LYS A 294 8.985 -9.898 -3.406 1.00 3.40 H new ATOM 0 HZ3 LYS A 294 8.691 -9.860 -1.734 1.00 3.40 H new ATOM 86 N ASN A 295 6.160 -9.172 -0.052 1.00 0.40 N ATOM 87 CA ASN A 295 6.155 -7.723 -0.164 1.00 0.28 C ATOM 88 C ASN A 295 7.256 -7.277 -1.113 1.00 0.27 C ATOM 89 O ASN A 295 8.388 -7.762 -1.039 1.00 0.33 O ATOM 90 CB ASN A 295 6.347 -7.080 1.212 1.00 0.26 C ATOM 91 CG ASN A 295 7.190 -7.921 2.159 1.00 0.37 C ATOM 92 OD1 ASN A 295 8.412 -7.801 2.195 1.00 1.07 O ATOM 93 ND2 ASN A 295 6.543 -8.774 2.936 1.00 1.25 N ATOM 0 H ASN A 295 7.093 -9.581 0.006 1.00 0.40 H new ATOM 0 HA ASN A 295 5.192 -7.403 -0.561 1.00 0.28 H new ATOM 0 HB2 ASN A 295 6.818 -6.105 1.087 1.00 0.26 H new ATOM 0 HB3 ASN A 295 5.370 -6.907 1.663 1.00 0.26 H new ATOM 0 HD21 ASN A 295 7.060 -9.359 3.592 1.00 1.25 H new ATOM 0 HD22 ASN A 295 5.527 -8.847 2.879 1.00 1.25 H new ATOM 100 N GLU A 296 6.920 -6.364 -2.008 1.00 0.26 N ATOM 101 CA GLU A 296 7.877 -5.848 -2.980 1.00 0.31 C ATOM 102 C GLU A 296 8.933 -4.989 -2.288 1.00 0.23 C ATOM 103 O GLU A 296 8.647 -4.311 -1.302 1.00 0.31 O ATOM 104 CB GLU A 296 7.146 -5.060 -4.074 1.00 0.47 C ATOM 105 CG GLU A 296 6.259 -5.942 -4.949 1.00 0.63 C ATOM 106 CD GLU A 296 5.514 -5.185 -6.035 1.00 0.83 C ATOM 107 OE1 GLU A 296 6.153 -4.434 -6.800 1.00 0.98 O ATOM 108 OE2 GLU A 296 4.287 -5.377 -6.160 1.00 1.11 O ATOM 0 H GLU A 296 5.986 -5.961 -2.084 1.00 0.26 H new ATOM 0 HA GLU A 296 8.389 -6.687 -3.452 1.00 0.31 H new ATOM 0 HB2 GLU A 296 6.535 -4.285 -3.610 1.00 0.47 H new ATOM 0 HB3 GLU A 296 7.879 -4.554 -4.702 1.00 0.47 H new ATOM 0 HG2 GLU A 296 6.875 -6.711 -5.414 1.00 0.63 H new ATOM 0 HG3 GLU A 296 5.535 -6.454 -4.315 1.00 0.63 H new ATOM 115 N ASP A 297 10.167 -5.052 -2.779 1.00 0.22 N ATOM 116 CA ASP A 297 11.274 -4.326 -2.158 1.00 0.20 C ATOM 117 C ASP A 297 11.427 -2.953 -2.774 1.00 0.19 C ATOM 118 O ASP A 297 12.310 -2.183 -2.393 1.00 0.30 O ATOM 119 CB ASP A 297 12.590 -5.080 -2.312 1.00 0.28 C ATOM 120 CG ASP A 297 12.550 -6.460 -1.701 1.00 0.37 C ATOM 121 OD1 ASP A 297 12.497 -6.562 -0.458 1.00 0.45 O ATOM 122 OD2 ASP A 297 12.587 -7.449 -2.458 1.00 0.49 O ATOM 0 H ASP A 297 10.427 -5.596 -3.602 1.00 0.22 H new ATOM 0 HA ASP A 297 11.038 -4.231 -1.098 1.00 0.20 H new ATOM 0 HB2 ASP A 297 12.833 -5.164 -3.371 1.00 0.28 H new ATOM 0 HB3 ASP A 297 13.390 -4.504 -1.846 1.00 0.28 H new ATOM 127 N GLU A 298 10.560 -2.651 -3.720 1.00 0.21 N ATOM 128 CA GLU A 298 10.591 -1.383 -4.407 1.00 0.25 C ATOM 129 C GLU A 298 9.185 -0.837 -4.556 1.00 0.25 C ATOM 130 O GLU A 298 8.237 -1.578 -4.815 1.00 0.40 O ATOM 131 CB GLU A 298 11.276 -1.516 -5.767 1.00 0.42 C ATOM 132 CG GLU A 298 11.048 -2.842 -6.446 1.00 0.89 C ATOM 133 CD GLU A 298 10.663 -2.697 -7.901 1.00 1.81 C ATOM 134 OE1 GLU A 298 11.499 -2.221 -8.691 1.00 2.25 O ATOM 135 OE2 GLU A 298 9.524 -3.061 -8.262 1.00 2.53 O ATOM 0 H GLU A 298 9.818 -3.278 -4.031 1.00 0.21 H new ATOM 0 HA GLU A 298 11.173 -0.679 -3.812 1.00 0.25 H new ATOM 0 HB2 GLU A 298 10.919 -0.720 -6.420 1.00 0.42 H new ATOM 0 HB3 GLU A 298 12.348 -1.366 -5.638 1.00 0.42 H new ATOM 0 HG2 GLU A 298 11.954 -3.443 -6.373 1.00 0.89 H new ATOM 0 HG3 GLU A 298 10.263 -3.384 -5.919 1.00 0.89 H new ATOM 142 N CYS A 299 9.071 0.459 -4.359 1.00 0.18 N ATOM 143 CA CYS A 299 7.794 1.147 -4.400 1.00 0.17 C ATOM 144 C CYS A 299 7.163 1.054 -5.784 1.00 0.18 C ATOM 145 O CYS A 299 7.836 1.220 -6.794 1.00 0.21 O ATOM 146 CB CYS A 299 8.000 2.607 -4.014 1.00 0.17 C ATOM 147 SG CYS A 299 6.519 3.651 -4.188 1.00 0.17 S ATOM 0 H CYS A 299 9.864 1.070 -4.165 1.00 0.18 H new ATOM 0 HA CYS A 299 7.116 0.670 -3.693 1.00 0.17 H new ATOM 0 HB2 CYS A 299 8.341 2.651 -2.980 1.00 0.17 H new ATOM 0 HB3 CYS A 299 8.797 3.023 -4.630 1.00 0.17 H new ATOM 152 N ALA A 300 5.858 0.812 -5.814 1.00 0.21 N ATOM 153 CA ALA A 300 5.116 0.724 -7.067 1.00 0.26 C ATOM 154 C ALA A 300 5.096 2.064 -7.795 1.00 0.26 C ATOM 155 O ALA A 300 4.841 2.127 -8.995 1.00 0.31 O ATOM 156 CB ALA A 300 3.699 0.253 -6.800 1.00 0.31 C ATOM 0 H ALA A 300 5.288 0.672 -4.980 1.00 0.21 H new ATOM 0 HA ALA A 300 5.620 0.001 -7.708 1.00 0.26 H new ATOM 0 HB1 ALA A 300 3.153 0.190 -7.741 1.00 0.31 H new ATOM 0 HB2 ALA A 300 3.725 -0.730 -6.329 1.00 0.31 H new ATOM 0 HB3 ALA A 300 3.200 0.960 -6.137 1.00 0.31 H new ATOM 162 N VAL A 301 5.359 3.133 -7.058 1.00 0.22 N ATOM 163 CA VAL A 301 5.377 4.476 -7.624 1.00 0.23 C ATOM 164 C VAL A 301 6.642 4.712 -8.452 1.00 0.25 C ATOM 165 O VAL A 301 6.569 4.914 -9.661 1.00 0.31 O ATOM 166 CB VAL A 301 5.285 5.557 -6.521 1.00 0.20 C ATOM 167 CG1 VAL A 301 5.459 6.953 -7.102 1.00 0.22 C ATOM 168 CG2 VAL A 301 3.964 5.459 -5.776 1.00 0.22 C ATOM 0 H VAL A 301 5.564 3.097 -6.060 1.00 0.22 H new ATOM 0 HA VAL A 301 4.504 4.555 -8.272 1.00 0.23 H new ATOM 0 HB VAL A 301 6.096 5.377 -5.816 1.00 0.20 H new ATOM 0 HG11 VAL A 301 5.389 7.691 -6.303 1.00 0.22 H new ATOM 0 HG12 VAL A 301 6.435 7.028 -7.582 1.00 0.22 H new ATOM 0 HG13 VAL A 301 4.677 7.141 -7.838 1.00 0.22 H new ATOM 0 HG21 VAL A 301 3.923 6.229 -5.006 1.00 0.22 H new ATOM 0 HG22 VAL A 301 3.140 5.601 -6.476 1.00 0.22 H new ATOM 0 HG23 VAL A 301 3.880 4.476 -5.312 1.00 0.22 H new ATOM 178 N CYS A 302 7.799 4.666 -7.804 1.00 0.25 N ATOM 179 CA CYS A 302 9.045 5.052 -8.460 1.00 0.31 C ATOM 180 C CYS A 302 10.026 3.893 -8.569 1.00 0.29 C ATOM 181 O CYS A 302 11.152 4.067 -9.035 1.00 0.33 O ATOM 182 CB CYS A 302 9.687 6.198 -7.689 1.00 0.34 C ATOM 183 SG CYS A 302 9.940 5.835 -5.922 1.00 0.29 S ATOM 0 H CYS A 302 7.902 4.368 -6.834 1.00 0.25 H new ATOM 0 HA CYS A 302 8.801 5.366 -9.475 1.00 0.31 H new ATOM 0 HB2 CYS A 302 10.648 6.437 -8.144 1.00 0.34 H new ATOM 0 HB3 CYS A 302 9.060 7.085 -7.783 1.00 0.34 H new ATOM 188 N ARG A 303 9.584 2.715 -8.134 1.00 0.27 N ATOM 189 CA ARG A 303 10.391 1.495 -8.192 1.00 0.30 C ATOM 190 C ARG A 303 11.730 1.660 -7.476 1.00 0.26 C ATOM 191 O ARG A 303 12.747 1.118 -7.901 1.00 0.29 O ATOM 192 CB ARG A 303 10.578 1.061 -9.648 1.00 0.41 C ATOM 193 CG ARG A 303 9.257 0.701 -10.311 1.00 0.54 C ATOM 194 CD ARG A 303 8.608 -0.469 -9.590 1.00 0.66 C ATOM 195 NE ARG A 303 7.219 -0.697 -9.985 1.00 1.24 N ATOM 196 CZ ARG A 303 6.439 -1.616 -9.414 1.00 1.48 C ATOM 197 NH1 ARG A 303 6.943 -2.432 -8.494 1.00 1.13 N ATOM 198 NH2 ARG A 303 5.168 -1.737 -9.778 1.00 2.38 N ATOM 0 H ARG A 303 8.657 2.578 -7.731 1.00 0.27 H new ATOM 0 HA ARG A 303 9.855 0.707 -7.662 1.00 0.30 H new ATOM 0 HB2 ARG A 303 11.057 1.865 -10.207 1.00 0.41 H new ATOM 0 HB3 ARG A 303 11.249 0.203 -9.687 1.00 0.41 H new ATOM 0 HG2 ARG A 303 8.589 1.562 -10.297 1.00 0.54 H new ATOM 0 HG3 ARG A 303 9.425 0.445 -11.357 1.00 0.54 H new ATOM 0 HD2 ARG A 303 9.186 -1.372 -9.785 1.00 0.66 H new ATOM 0 HD3 ARG A 303 8.648 -0.291 -8.515 1.00 0.66 H new ATOM 0 HE ARG A 303 6.827 -0.126 -10.734 1.00 1.24 H new ATOM 0 HH11 ARG A 303 7.924 -2.355 -8.226 1.00 1.13 H new ATOM 0 HH12 ARG A 303 6.349 -3.136 -8.056 1.00 1.13 H new ATOM 0 HH21 ARG A 303 4.783 -1.125 -10.498 1.00 2.38 H new ATOM 0 HH22 ARG A 303 4.576 -2.442 -9.338 1.00 2.38 H new ATOM 212 N ASP A 304 11.705 2.402 -6.375 1.00 0.24 N ATOM 213 CA ASP A 304 12.883 2.602 -5.534 1.00 0.27 C ATOM 214 C ASP A 304 12.647 1.916 -4.190 1.00 0.24 C ATOM 215 O ASP A 304 11.529 1.480 -3.910 1.00 0.31 O ATOM 216 CB ASP A 304 13.127 4.099 -5.333 1.00 0.34 C ATOM 217 CG ASP A 304 14.572 4.441 -5.019 1.00 0.77 C ATOM 218 OD1 ASP A 304 15.139 3.822 -4.098 1.00 1.21 O ATOM 219 OD2 ASP A 304 15.145 5.323 -5.683 1.00 1.54 O ATOM 0 H ASP A 304 10.870 2.882 -6.039 1.00 0.24 H new ATOM 0 HA ASP A 304 13.763 2.171 -6.012 1.00 0.27 H new ATOM 0 HB2 ASP A 304 12.823 4.633 -6.234 1.00 0.34 H new ATOM 0 HB3 ASP A 304 12.493 4.457 -4.522 1.00 0.34 H new ATOM 224 N GLY A 305 13.677 1.831 -3.363 1.00 0.27 N ATOM 225 CA GLY A 305 13.559 1.133 -2.098 1.00 0.31 C ATOM 226 C GLY A 305 13.654 2.082 -0.925 1.00 0.35 C ATOM 227 O GLY A 305 13.568 3.293 -1.103 1.00 0.70 O ATOM 0 H GLY A 305 14.596 2.234 -3.545 1.00 0.27 H new ATOM 0 HA2 GLY A 305 12.607 0.604 -2.062 1.00 0.31 H new ATOM 0 HA3 GLY A 305 14.345 0.381 -2.022 1.00 0.31 H new ATOM 231 N GLY A 306 13.830 1.545 0.270 1.00 0.33 N ATOM 232 CA GLY A 306 13.975 2.389 1.440 1.00 0.35 C ATOM 233 C GLY A 306 12.775 2.323 2.361 1.00 0.34 C ATOM 234 O GLY A 306 12.410 1.244 2.835 1.00 0.40 O ATOM 0 H GLY A 306 13.875 0.543 0.453 1.00 0.33 H new ATOM 0 HA2 GLY A 306 14.867 2.090 1.990 1.00 0.35 H new ATOM 0 HA3 GLY A 306 14.128 3.420 1.122 1.00 0.35 H new ATOM 238 N GLU A 307 12.169 3.483 2.605 1.00 0.37 N ATOM 239 CA GLU A 307 11.016 3.596 3.498 1.00 0.42 C ATOM 240 C GLU A 307 9.766 3.043 2.826 1.00 0.33 C ATOM 241 O GLU A 307 9.009 3.789 2.204 1.00 0.39 O ATOM 242 CB GLU A 307 10.774 5.057 3.875 1.00 0.59 C ATOM 243 CG GLU A 307 12.020 5.785 4.330 1.00 0.74 C ATOM 244 CD GLU A 307 12.681 5.145 5.528 1.00 1.17 C ATOM 245 OE1 GLU A 307 12.155 5.287 6.654 1.00 1.51 O ATOM 246 OE2 GLU A 307 13.739 4.510 5.353 1.00 1.91 O ATOM 0 H GLU A 307 12.461 4.368 2.191 1.00 0.37 H new ATOM 0 HA GLU A 307 11.229 3.019 4.398 1.00 0.42 H new ATOM 0 HB2 GLU A 307 10.353 5.579 3.016 1.00 0.59 H new ATOM 0 HB3 GLU A 307 10.029 5.099 4.670 1.00 0.59 H new ATOM 0 HG2 GLU A 307 12.733 5.821 3.506 1.00 0.74 H new ATOM 0 HG3 GLU A 307 11.762 6.816 4.573 1.00 0.74 H new ATOM 253 N LEU A 308 9.548 1.748 2.951 1.00 0.24 N ATOM 254 CA LEU A 308 8.445 1.110 2.256 1.00 0.16 C ATOM 255 C LEU A 308 7.250 0.859 3.163 1.00 0.15 C ATOM 256 O LEU A 308 7.393 0.500 4.331 1.00 0.21 O ATOM 257 CB LEU A 308 8.896 -0.208 1.635 1.00 0.16 C ATOM 258 CG LEU A 308 9.855 -0.081 0.452 1.00 0.15 C ATOM 259 CD1 LEU A 308 10.300 -1.456 -0.006 1.00 0.18 C ATOM 260 CD2 LEU A 308 9.199 0.678 -0.697 1.00 0.14 C ATOM 0 H LEU A 308 10.114 1.121 3.522 1.00 0.24 H new ATOM 0 HA LEU A 308 8.129 1.800 1.474 1.00 0.16 H new ATOM 0 HB2 LEU A 308 9.376 -0.808 2.407 1.00 0.16 H new ATOM 0 HB3 LEU A 308 8.013 -0.757 1.308 1.00 0.16 H new ATOM 0 HG LEU A 308 10.730 0.483 0.774 1.00 0.15 H new ATOM 0 HD11 LEU A 308 10.983 -1.355 -0.849 1.00 0.18 H new ATOM 0 HD12 LEU A 308 10.807 -1.966 0.813 1.00 0.18 H new ATOM 0 HD13 LEU A 308 9.430 -2.037 -0.311 1.00 0.18 H new ATOM 0 HD21 LEU A 308 9.900 0.756 -1.528 1.00 0.14 H new ATOM 0 HD22 LEU A 308 8.307 0.144 -1.024 1.00 0.14 H new ATOM 0 HD23 LEU A 308 8.921 1.677 -0.361 1.00 0.14 H new ATOM 272 N ILE A 309 6.075 1.064 2.599 1.00 0.12 N ATOM 273 CA ILE A 309 4.821 0.709 3.234 1.00 0.12 C ATOM 274 C ILE A 309 4.002 -0.141 2.263 1.00 0.11 C ATOM 275 O ILE A 309 3.571 0.334 1.212 1.00 0.15 O ATOM 276 CB ILE A 309 4.018 1.962 3.675 1.00 0.13 C ATOM 277 CG1 ILE A 309 2.604 1.576 4.105 1.00 0.15 C ATOM 278 CG2 ILE A 309 3.972 2.999 2.567 1.00 0.14 C ATOM 279 CD1 ILE A 309 1.733 2.762 4.457 1.00 0.21 C ATOM 0 H ILE A 309 5.964 1.486 1.677 1.00 0.12 H new ATOM 0 HA ILE A 309 5.037 0.140 4.139 1.00 0.12 H new ATOM 0 HB ILE A 309 4.530 2.402 4.530 1.00 0.13 H new ATOM 0 HG12 ILE A 309 2.130 1.013 3.301 1.00 0.15 H new ATOM 0 HG13 ILE A 309 2.664 0.911 4.967 1.00 0.15 H new ATOM 0 HG21 ILE A 309 3.403 3.866 2.903 1.00 0.14 H new ATOM 0 HG22 ILE A 309 4.987 3.307 2.314 1.00 0.14 H new ATOM 0 HG23 ILE A 309 3.493 2.570 1.687 1.00 0.14 H new ATOM 0 HD11 ILE A 309 0.744 2.412 4.753 1.00 0.21 H new ATOM 0 HD12 ILE A 309 2.185 3.313 5.282 1.00 0.21 H new ATOM 0 HD13 ILE A 309 1.642 3.417 3.590 1.00 0.21 H new ATOM 291 N CYS A 310 3.824 -1.407 2.599 1.00 0.12 N ATOM 292 CA CYS A 310 3.172 -2.344 1.699 1.00 0.12 C ATOM 293 C CYS A 310 1.726 -2.564 2.102 1.00 0.11 C ATOM 294 O CYS A 310 1.376 -2.494 3.287 1.00 0.12 O ATOM 295 CB CYS A 310 3.900 -3.688 1.690 1.00 0.14 C ATOM 296 SG CYS A 310 5.687 -3.574 1.893 1.00 1.36 S ATOM 0 H CYS A 310 4.121 -1.810 3.488 1.00 0.12 H new ATOM 0 HA CYS A 310 3.204 -1.912 0.699 1.00 0.12 H new ATOM 0 HB2 CYS A 310 3.496 -4.311 2.488 1.00 0.14 H new ATOM 0 HB3 CYS A 310 3.686 -4.196 0.750 1.00 0.14 H new ATOM 0 HG CYS A 310 5.960 -3.043 3.048 1.00 1.36 H new ATOM 302 N CYS A 311 0.896 -2.812 1.106 1.00 0.11 N ATOM 303 CA CYS A 311 -0.500 -3.136 1.323 1.00 0.12 C ATOM 304 C CYS A 311 -0.629 -4.542 1.902 1.00 0.14 C ATOM 305 O CYS A 311 0.219 -5.402 1.654 1.00 0.17 O ATOM 306 CB CYS A 311 -1.256 -3.041 -0.001 1.00 0.16 C ATOM 307 SG CYS A 311 -3.032 -3.414 0.115 1.00 0.20 S ATOM 0 H CYS A 311 1.171 -2.794 0.124 1.00 0.11 H new ATOM 0 HA CYS A 311 -0.928 -2.428 2.033 1.00 0.12 H new ATOM 0 HB2 CYS A 311 -1.135 -2.035 -0.403 1.00 0.16 H new ATOM 0 HB3 CYS A 311 -0.800 -3.726 -0.715 1.00 0.16 H new ATOM 312 N ASP A 312 -1.643 -4.758 2.725 1.00 0.19 N ATOM 313 CA ASP A 312 -1.938 -6.100 3.209 1.00 0.26 C ATOM 314 C ASP A 312 -2.292 -7.027 2.047 1.00 0.27 C ATOM 315 O ASP A 312 -1.536 -7.944 1.724 1.00 0.31 O ATOM 316 CB ASP A 312 -3.052 -6.111 4.255 1.00 0.35 C ATOM 317 CG ASP A 312 -3.441 -7.528 4.639 1.00 0.53 C ATOM 318 OD1 ASP A 312 -2.542 -8.323 4.998 1.00 0.66 O ATOM 319 OD2 ASP A 312 -4.648 -7.855 4.578 1.00 0.64 O ATOM 0 H ASP A 312 -2.270 -4.031 3.070 1.00 0.19 H new ATOM 0 HA ASP A 312 -1.034 -6.466 3.696 1.00 0.26 H new ATOM 0 HB2 ASP A 312 -2.725 -5.569 5.142 1.00 0.35 H new ATOM 0 HB3 ASP A 312 -3.924 -5.586 3.865 1.00 0.35 H new ATOM 324 N GLY A 313 -3.433 -6.764 1.415 1.00 0.29 N ATOM 325 CA GLY A 313 -3.953 -7.655 0.392 1.00 0.37 C ATOM 326 C GLY A 313 -3.118 -7.688 -0.880 1.00 0.28 C ATOM 327 O GLY A 313 -3.212 -8.638 -1.657 1.00 0.31 O ATOM 0 H GLY A 313 -4.011 -5.943 1.595 1.00 0.29 H new ATOM 0 HA2 GLY A 313 -4.015 -8.664 0.800 1.00 0.37 H new ATOM 0 HA3 GLY A 313 -4.969 -7.350 0.140 1.00 0.37 H new ATOM 331 N CYS A 314 -2.302 -6.667 -1.098 1.00 0.25 N ATOM 332 CA CYS A 314 -1.489 -6.587 -2.307 1.00 0.24 C ATOM 333 C CYS A 314 -0.021 -6.375 -1.951 1.00 0.18 C ATOM 334 O CYS A 314 0.309 -5.500 -1.152 1.00 0.17 O ATOM 335 CB CYS A 314 -1.981 -5.461 -3.217 1.00 0.35 C ATOM 336 SG CYS A 314 -3.676 -5.693 -3.846 1.00 1.34 S ATOM 0 H CYS A 314 -2.184 -5.883 -0.456 1.00 0.25 H new ATOM 0 HA CYS A 314 -1.585 -7.531 -2.844 1.00 0.24 H new ATOM 0 HB2 CYS A 314 -1.935 -4.520 -2.669 1.00 0.35 H new ATOM 0 HB3 CYS A 314 -1.301 -5.370 -4.064 1.00 0.35 H new ATOM 341 N PRO A 315 0.876 -7.171 -2.557 1.00 0.22 N ATOM 342 CA PRO A 315 2.307 -7.176 -2.214 1.00 0.23 C ATOM 343 C PRO A 315 3.029 -5.875 -2.562 1.00 0.19 C ATOM 344 O PRO A 315 4.194 -5.699 -2.202 1.00 0.22 O ATOM 345 CB PRO A 315 2.875 -8.330 -3.047 1.00 0.33 C ATOM 346 CG PRO A 315 1.915 -8.504 -4.170 1.00 0.52 C ATOM 347 CD PRO A 315 0.564 -8.141 -3.620 1.00 0.31 C ATOM 0 HA PRO A 315 2.445 -7.285 -1.138 1.00 0.23 H new ATOM 0 HB2 PRO A 315 3.874 -8.097 -3.415 1.00 0.33 H new ATOM 0 HB3 PRO A 315 2.958 -9.241 -2.454 1.00 0.33 H new ATOM 0 HG2 PRO A 315 2.179 -7.863 -5.012 1.00 0.52 H new ATOM 0 HG3 PRO A 315 1.924 -9.531 -4.536 1.00 0.52 H new ATOM 0 HD2 PRO A 315 -0.077 -7.705 -4.386 1.00 0.31 H new ATOM 0 HD3 PRO A 315 0.043 -9.014 -3.227 1.00 0.31 H new ATOM 355 N ARG A 316 2.342 -4.981 -3.268 1.00 0.18 N ATOM 356 CA ARG A 316 2.925 -3.697 -3.639 1.00 0.18 C ATOM 357 C ARG A 316 3.298 -2.884 -2.411 1.00 0.14 C ATOM 358 O ARG A 316 2.494 -2.709 -1.490 1.00 0.17 O ATOM 359 CB ARG A 316 1.977 -2.871 -4.513 1.00 0.22 C ATOM 360 CG ARG A 316 1.943 -3.300 -5.967 1.00 0.32 C ATOM 361 CD ARG A 316 1.323 -2.226 -6.846 1.00 0.39 C ATOM 362 NE ARG A 316 1.256 -2.638 -8.246 1.00 0.67 N ATOM 363 CZ ARG A 316 0.492 -2.042 -9.162 1.00 0.87 C ATOM 364 NH1 ARG A 316 -0.215 -0.961 -8.850 1.00 1.30 N ATOM 365 NH2 ARG A 316 0.444 -2.512 -10.401 1.00 1.11 N ATOM 0 H ARG A 316 1.385 -5.122 -3.593 1.00 0.18 H new ATOM 0 HA ARG A 316 3.825 -3.923 -4.211 1.00 0.18 H new ATOM 0 HB2 ARG A 316 0.970 -2.938 -4.102 1.00 0.22 H new ATOM 0 HB3 ARG A 316 2.273 -1.823 -4.461 1.00 0.22 H new ATOM 0 HG2 ARG A 316 2.956 -3.513 -6.309 1.00 0.32 H new ATOM 0 HG3 ARG A 316 1.373 -4.224 -6.062 1.00 0.32 H new ATOM 0 HD2 ARG A 316 0.320 -1.998 -6.487 1.00 0.39 H new ATOM 0 HD3 ARG A 316 1.907 -1.309 -6.765 1.00 0.39 H new ATOM 0 HE ARG A 316 1.828 -3.429 -8.541 1.00 0.67 H new ATOM 0 HH11 ARG A 316 -0.176 -0.581 -7.904 1.00 1.30 H new ATOM 0 HH12 ARG A 316 -0.797 -0.511 -9.556 1.00 1.30 H new ATOM 0 HH21 ARG A 316 0.993 -3.333 -10.657 1.00 1.11 H new ATOM 0 HH22 ARG A 316 -0.142 -2.053 -11.098 1.00 1.11 H new ATOM 379 N ALA A 317 4.522 -2.388 -2.414 1.00 0.12 N ATOM 380 CA ALA A 317 4.998 -1.509 -1.370 1.00 0.11 C ATOM 381 C ALA A 317 5.183 -0.115 -1.945 1.00 0.10 C ATOM 382 O ALA A 317 5.375 0.038 -3.152 1.00 0.14 O ATOM 383 CB ALA A 317 6.297 -2.042 -0.788 1.00 0.14 C ATOM 0 H ALA A 317 5.210 -2.585 -3.140 1.00 0.12 H new ATOM 0 HA ALA A 317 4.269 -1.463 -0.561 1.00 0.11 H new ATOM 0 HB1 ALA A 317 6.646 -1.372 -0.003 1.00 0.14 H new ATOM 0 HB2 ALA A 317 6.128 -3.034 -0.370 1.00 0.14 H new ATOM 0 HB3 ALA A 317 7.050 -2.103 -1.574 1.00 0.14 H new ATOM 389 N PHE A 318 5.089 0.902 -1.106 1.00 0.11 N ATOM 390 CA PHE A 318 5.168 2.274 -1.580 1.00 0.10 C ATOM 391 C PHE A 318 6.028 3.125 -0.661 1.00 0.11 C ATOM 392 O PHE A 318 6.430 2.683 0.411 1.00 0.14 O ATOM 393 CB PHE A 318 3.771 2.898 -1.649 1.00 0.12 C ATOM 394 CG PHE A 318 2.762 2.125 -2.451 1.00 0.13 C ATOM 395 CD1 PHE A 318 2.096 1.042 -1.899 1.00 0.15 C ATOM 396 CD2 PHE A 318 2.509 2.460 -3.769 1.00 0.18 C ATOM 397 CE1 PHE A 318 1.190 0.318 -2.648 1.00 0.19 C ATOM 398 CE2 PHE A 318 1.607 1.738 -4.523 1.00 0.21 C ATOM 399 CZ PHE A 318 0.847 0.732 -3.901 1.00 0.21 C ATOM 0 H PHE A 318 4.959 0.806 -0.099 1.00 0.11 H new ATOM 0 HA PHE A 318 5.617 2.247 -2.573 1.00 0.10 H new ATOM 0 HB2 PHE A 318 3.392 3.014 -0.634 1.00 0.12 H new ATOM 0 HB3 PHE A 318 3.858 3.898 -2.073 1.00 0.12 H new ATOM 0 HD1 PHE A 318 2.288 0.762 -0.874 1.00 0.15 H new ATOM 0 HD2 PHE A 318 3.025 3.298 -4.214 1.00 0.18 H new ATOM 0 HE1 PHE A 318 0.751 -0.580 -2.240 1.00 0.19 H new ATOM 0 HE2 PHE A 318 1.486 1.943 -5.577 1.00 0.21 H new ATOM 0 HZ PHE A 318 0.002 0.292 -4.410 1.00 0.21 H new ATOM 409 N HIS A 319 6.309 4.344 -1.100 1.00 0.11 N ATOM 410 CA HIS A 319 6.935 5.346 -0.253 1.00 0.12 C ATOM 411 C HIS A 319 5.868 6.299 0.257 1.00 0.12 C ATOM 412 O HIS A 319 4.872 6.522 -0.436 1.00 0.13 O ATOM 413 CB HIS A 319 7.997 6.145 -1.014 1.00 0.14 C ATOM 414 CG HIS A 319 9.213 5.358 -1.391 1.00 0.14 C ATOM 415 ND1 HIS A 319 9.503 5.073 -2.702 1.00 0.16 N ATOM 416 CD2 HIS A 319 10.191 4.853 -0.604 1.00 0.17 C ATOM 417 CE1 HIS A 319 10.645 4.409 -2.683 1.00 0.18 C ATOM 418 NE2 HIS A 319 11.099 4.253 -1.435 1.00 0.18 N ATOM 0 H HIS A 319 6.110 4.664 -2.048 1.00 0.11 H new ATOM 0 HA HIS A 319 7.425 4.834 0.575 1.00 0.12 H new ATOM 0 HB2 HIS A 319 7.548 6.552 -1.920 1.00 0.14 H new ATOM 0 HB3 HIS A 319 8.304 6.993 -0.402 1.00 0.14 H new ATOM 0 HD2 HIS A 319 10.245 4.912 0.473 1.00 0.17 H new ATOM 0 HE1 HIS A 319 11.148 4.039 -3.564 1.00 0.18 H new ATOM 0 HE2 HIS A 319 11.957 3.778 -1.156 1.00 0.18 H new ATOM 426 N LEU A 320 6.072 6.870 1.436 1.00 0.14 N ATOM 427 CA LEU A 320 5.058 7.721 2.052 1.00 0.15 C ATOM 428 C LEU A 320 4.684 8.883 1.136 1.00 0.14 C ATOM 429 O LEU A 320 3.515 9.052 0.779 1.00 0.15 O ATOM 430 CB LEU A 320 5.542 8.254 3.403 1.00 0.18 C ATOM 431 CG LEU A 320 5.791 7.194 4.477 1.00 0.22 C ATOM 432 CD1 LEU A 320 6.225 7.852 5.778 1.00 0.27 C ATOM 433 CD2 LEU A 320 4.542 6.354 4.698 1.00 0.23 C ATOM 0 H LEU A 320 6.925 6.762 1.984 1.00 0.14 H new ATOM 0 HA LEU A 320 4.170 7.110 2.214 1.00 0.15 H new ATOM 0 HB2 LEU A 320 6.466 8.810 3.245 1.00 0.18 H new ATOM 0 HB3 LEU A 320 4.804 8.962 3.780 1.00 0.18 H new ATOM 0 HG LEU A 320 6.591 6.537 4.135 1.00 0.22 H new ATOM 0 HD11 LEU A 320 6.399 7.085 6.533 1.00 0.27 H new ATOM 0 HD12 LEU A 320 7.145 8.413 5.613 1.00 0.27 H new ATOM 0 HD13 LEU A 320 5.443 8.529 6.122 1.00 0.27 H new ATOM 0 HD21 LEU A 320 4.738 5.605 5.465 1.00 0.23 H new ATOM 0 HD22 LEU A 320 3.723 6.997 5.020 1.00 0.23 H new ATOM 0 HD23 LEU A 320 4.269 5.857 3.767 1.00 0.23 H new ATOM 445 N ALA A 321 5.687 9.655 0.736 1.00 0.15 N ATOM 446 CA ALA A 321 5.472 10.841 -0.085 1.00 0.16 C ATOM 447 C ALA A 321 5.091 10.490 -1.521 1.00 0.16 C ATOM 448 O ALA A 321 4.451 11.281 -2.216 1.00 0.20 O ATOM 449 CB ALA A 321 6.723 11.703 -0.075 1.00 0.19 C ATOM 0 H ALA A 321 6.664 9.479 0.969 1.00 0.15 H new ATOM 0 HA ALA A 321 4.636 11.392 0.345 1.00 0.16 H new ATOM 0 HB1 ALA A 321 6.560 12.589 -0.689 1.00 0.19 H new ATOM 0 HB2 ALA A 321 6.947 12.007 0.947 1.00 0.19 H new ATOM 0 HB3 ALA A 321 7.561 11.133 -0.476 1.00 0.19 H new ATOM 455 N CYS A 322 5.492 9.307 -1.966 1.00 0.15 N ATOM 456 CA CYS A 322 5.233 8.881 -3.336 1.00 0.16 C ATOM 457 C CYS A 322 3.767 8.517 -3.538 1.00 0.14 C ATOM 458 O CYS A 322 3.255 8.558 -4.659 1.00 0.18 O ATOM 459 CB CYS A 322 6.134 7.708 -3.709 1.00 0.17 C ATOM 460 SG CYS A 322 7.907 8.129 -3.746 1.00 0.21 S ATOM 0 H CYS A 322 5.997 8.625 -1.400 1.00 0.15 H new ATOM 0 HA CYS A 322 5.460 9.719 -3.995 1.00 0.16 H new ATOM 0 HB2 CYS A 322 5.977 6.899 -2.996 1.00 0.17 H new ATOM 0 HB3 CYS A 322 5.839 7.331 -4.688 1.00 0.17 H new ATOM 465 N LEU A 323 3.098 8.157 -2.455 1.00 0.13 N ATOM 466 CA LEU A 323 1.676 7.857 -2.501 1.00 0.15 C ATOM 467 C LEU A 323 0.847 9.100 -2.797 1.00 0.19 C ATOM 468 O LEU A 323 1.301 10.230 -2.610 1.00 0.20 O ATOM 469 CB LEU A 323 1.235 7.241 -1.179 1.00 0.15 C ATOM 470 CG LEU A 323 1.602 5.770 -1.007 1.00 0.15 C ATOM 471 CD1 LEU A 323 1.418 5.342 0.439 1.00 0.19 C ATOM 472 CD2 LEU A 323 0.745 4.915 -1.923 1.00 0.20 C ATOM 0 H LEU A 323 3.518 8.065 -1.530 1.00 0.13 H new ATOM 0 HA LEU A 323 1.510 7.147 -3.311 1.00 0.15 H new ATOM 0 HB2 LEU A 323 1.679 7.810 -0.362 1.00 0.15 H new ATOM 0 HB3 LEU A 323 0.154 7.345 -1.088 1.00 0.15 H new ATOM 0 HG LEU A 323 2.650 5.635 -1.274 1.00 0.15 H new ATOM 0 HD11 LEU A 323 1.684 4.290 0.544 1.00 0.19 H new ATOM 0 HD12 LEU A 323 2.060 5.945 1.081 1.00 0.19 H new ATOM 0 HD13 LEU A 323 0.377 5.484 0.731 1.00 0.19 H new ATOM 0 HD21 LEU A 323 1.011 3.866 -1.796 1.00 0.20 H new ATOM 0 HD22 LEU A 323 -0.307 5.055 -1.673 1.00 0.20 H new ATOM 0 HD23 LEU A 323 0.914 5.209 -2.959 1.00 0.20 H new ATOM 484 N SER A 324 -0.358 8.876 -3.290 1.00 0.24 N ATOM 485 CA SER A 324 -1.296 9.930 -3.551 1.00 0.30 C ATOM 486 C SER A 324 -2.700 9.525 -3.091 1.00 0.33 C ATOM 487 O SER A 324 -3.311 8.627 -3.675 1.00 0.38 O ATOM 488 CB SER A 324 -1.271 10.208 -5.040 1.00 0.39 C ATOM 489 OG SER A 324 -1.224 9.000 -5.789 1.00 0.93 O ATOM 0 H SER A 324 -0.707 7.945 -3.519 1.00 0.24 H new ATOM 0 HA SER A 324 -1.024 10.830 -2.999 1.00 0.30 H new ATOM 0 HB2 SER A 324 -2.156 10.779 -5.321 1.00 0.39 H new ATOM 0 HB3 SER A 324 -0.405 10.823 -5.283 1.00 0.39 H new ATOM 0 HG SER A 324 -1.853 8.353 -5.406 1.00 0.93 H new ATOM 495 N PRO A 325 -3.223 10.142 -2.014 1.00 0.33 N ATOM 496 CA PRO A 325 -2.509 11.146 -1.210 1.00 0.30 C ATOM 497 C PRO A 325 -1.371 10.533 -0.399 1.00 0.26 C ATOM 498 O PRO A 325 -1.454 9.383 0.036 1.00 0.31 O ATOM 499 CB PRO A 325 -3.592 11.696 -0.266 1.00 0.35 C ATOM 500 CG PRO A 325 -4.887 11.204 -0.815 1.00 0.61 C ATOM 501 CD PRO A 325 -4.574 9.908 -1.497 1.00 0.40 C ATOM 0 HA PRO A 325 -2.044 11.907 -1.837 1.00 0.30 H new ATOM 0 HB2 PRO A 325 -3.439 11.344 0.754 1.00 0.35 H new ATOM 0 HB3 PRO A 325 -3.568 12.785 -0.234 1.00 0.35 H new ATOM 0 HG2 PRO A 325 -5.620 11.061 -0.021 1.00 0.61 H new ATOM 0 HG3 PRO A 325 -5.313 11.922 -1.516 1.00 0.61 H new ATOM 0 HD2 PRO A 325 -4.604 9.067 -0.804 1.00 0.40 H new ATOM 0 HD3 PRO A 325 -5.282 9.688 -2.296 1.00 0.40 H new ATOM 509 N PRO A 326 -0.288 11.301 -0.203 1.00 0.22 N ATOM 510 CA PRO A 326 0.893 10.840 0.527 1.00 0.20 C ATOM 511 C PRO A 326 0.620 10.670 2.014 1.00 0.21 C ATOM 512 O PRO A 326 -0.150 11.428 2.609 1.00 0.28 O ATOM 513 CB PRO A 326 1.932 11.952 0.315 1.00 0.20 C ATOM 514 CG PRO A 326 1.354 12.880 -0.701 1.00 0.42 C ATOM 515 CD PRO A 326 -0.134 12.679 -0.685 1.00 0.27 C ATOM 0 HA PRO A 326 1.220 9.864 0.169 1.00 0.20 H new ATOM 0 HB2 PRO A 326 2.136 12.476 1.249 1.00 0.20 H new ATOM 0 HB3 PRO A 326 2.879 11.538 -0.031 1.00 0.20 H new ATOM 0 HG2 PRO A 326 1.606 13.914 -0.466 1.00 0.42 H new ATOM 0 HG3 PRO A 326 1.761 12.670 -1.690 1.00 0.42 H new ATOM 0 HD2 PRO A 326 -0.628 13.392 -0.026 1.00 0.27 H new ATOM 0 HD3 PRO A 326 -0.567 12.808 -1.677 1.00 0.27 H new ATOM 523 N LEU A 327 1.263 9.686 2.611 1.00 0.23 N ATOM 524 CA LEU A 327 1.113 9.431 4.033 1.00 0.25 C ATOM 525 C LEU A 327 2.190 10.175 4.809 1.00 0.25 C ATOM 526 O LEU A 327 3.353 10.189 4.415 1.00 0.32 O ATOM 527 CB LEU A 327 1.182 7.925 4.334 1.00 0.29 C ATOM 528 CG LEU A 327 -0.104 7.120 4.086 1.00 0.35 C ATOM 529 CD1 LEU A 327 -1.231 7.621 4.971 1.00 1.03 C ATOM 530 CD2 LEU A 327 -0.519 7.173 2.622 1.00 0.81 C ATOM 0 H LEU A 327 1.897 9.047 2.132 1.00 0.23 H new ATOM 0 HA LEU A 327 0.133 9.792 4.346 1.00 0.25 H new ATOM 0 HB2 LEU A 327 1.979 7.492 3.729 1.00 0.29 H new ATOM 0 HB3 LEU A 327 1.469 7.798 5.378 1.00 0.29 H new ATOM 0 HG LEU A 327 0.105 6.081 4.340 1.00 0.35 H new ATOM 0 HD11 LEU A 327 -2.131 7.037 4.779 1.00 1.03 H new ATOM 0 HD12 LEU A 327 -0.946 7.515 6.018 1.00 1.03 H new ATOM 0 HD13 LEU A 327 -1.426 8.671 4.753 1.00 1.03 H new ATOM 0 HD21 LEU A 327 -1.432 6.594 2.481 1.00 0.81 H new ATOM 0 HD22 LEU A 327 -0.698 8.208 2.332 1.00 0.81 H new ATOM 0 HD23 LEU A 327 0.275 6.755 2.003 1.00 0.81 H new ATOM 542 N ARG A 328 1.793 10.801 5.901 1.00 0.25 N ATOM 543 CA ARG A 328 2.721 11.548 6.740 1.00 0.29 C ATOM 544 C ARG A 328 3.123 10.724 7.948 1.00 0.28 C ATOM 545 O ARG A 328 4.117 11.011 8.618 1.00 0.34 O ATOM 546 CB ARG A 328 2.097 12.862 7.197 1.00 0.38 C ATOM 547 CG ARG A 328 0.604 12.773 7.460 1.00 0.50 C ATOM 548 CD ARG A 328 0.130 13.886 8.375 1.00 0.93 C ATOM 549 NE ARG A 328 0.374 13.571 9.781 1.00 1.56 N ATOM 550 CZ ARG A 328 1.022 14.365 10.628 1.00 2.11 C ATOM 551 NH1 ARG A 328 1.626 15.468 10.193 1.00 2.14 N ATOM 552 NH2 ARG A 328 1.092 14.025 11.907 1.00 3.15 N ATOM 0 H ARG A 328 0.828 10.809 6.232 1.00 0.25 H new ATOM 0 HA ARG A 328 3.609 11.769 6.148 1.00 0.29 H new ATOM 0 HB2 ARG A 328 2.597 13.194 8.107 1.00 0.38 H new ATOM 0 HB3 ARG A 328 2.278 13.623 6.438 1.00 0.38 H new ATOM 0 HG2 ARG A 328 0.064 12.824 6.515 1.00 0.50 H new ATOM 0 HG3 ARG A 328 0.370 11.808 7.909 1.00 0.50 H new ATOM 0 HD2 ARG A 328 0.642 14.813 8.116 1.00 0.93 H new ATOM 0 HD3 ARG A 328 -0.935 14.056 8.220 1.00 0.93 H new ATOM 0 HE ARG A 328 0.023 12.682 10.137 1.00 1.56 H new ATOM 0 HH11 ARG A 328 1.594 15.710 9.203 1.00 2.14 H new ATOM 0 HH12 ARG A 328 2.121 16.071 10.850 1.00 2.14 H new ATOM 0 HH21 ARG A 328 0.652 13.164 12.231 1.00 3.15 H new ATOM 0 HH22 ARG A 328 1.586 14.625 12.568 1.00 3.15 H new ATOM 566 N GLU A 329 2.328 9.710 8.227 1.00 0.26 N ATOM 567 CA GLU A 329 2.580 8.820 9.342 1.00 0.30 C ATOM 568 C GLU A 329 2.133 7.409 8.990 1.00 0.22 C ATOM 569 O GLU A 329 1.202 7.219 8.203 1.00 0.27 O ATOM 570 CB GLU A 329 1.858 9.332 10.593 1.00 0.47 C ATOM 571 CG GLU A 329 0.366 9.537 10.395 1.00 0.71 C ATOM 572 CD GLU A 329 -0.276 10.294 11.538 1.00 1.11 C ATOM 573 OE1 GLU A 329 -0.734 9.649 12.502 1.00 1.23 O ATOM 574 OE2 GLU A 329 -0.341 11.541 11.464 1.00 1.57 O ATOM 0 H GLU A 329 1.492 9.481 7.689 1.00 0.26 H new ATOM 0 HA GLU A 329 3.649 8.796 9.552 1.00 0.30 H new ATOM 0 HB2 GLU A 329 2.014 8.624 11.407 1.00 0.47 H new ATOM 0 HB3 GLU A 329 2.308 10.276 10.901 1.00 0.47 H new ATOM 0 HG2 GLU A 329 0.198 10.080 9.465 1.00 0.71 H new ATOM 0 HG3 GLU A 329 -0.119 8.567 10.289 1.00 0.71 H new ATOM 581 N ILE A 330 2.821 6.428 9.556 1.00 0.21 N ATOM 582 CA ILE A 330 2.546 5.027 9.275 1.00 0.19 C ATOM 583 C ILE A 330 1.211 4.596 9.871 1.00 0.20 C ATOM 584 O ILE A 330 0.982 4.720 11.075 1.00 0.27 O ATOM 585 CB ILE A 330 3.678 4.125 9.811 1.00 0.25 C ATOM 586 CG1 ILE A 330 4.993 4.444 9.088 1.00 0.28 C ATOM 587 CG2 ILE A 330 3.321 2.653 9.650 1.00 0.26 C ATOM 588 CD1 ILE A 330 4.944 4.184 7.597 1.00 0.26 C ATOM 0 H ILE A 330 3.581 6.579 10.219 1.00 0.21 H new ATOM 0 HA ILE A 330 2.492 4.916 8.192 1.00 0.19 H new ATOM 0 HB ILE A 330 3.805 4.325 10.875 1.00 0.25 H new ATOM 0 HG12 ILE A 330 5.246 5.490 9.258 1.00 0.28 H new ATOM 0 HG13 ILE A 330 5.793 3.847 9.526 1.00 0.28 H new ATOM 0 HG21 ILE A 330 4.134 2.037 10.035 1.00 0.26 H new ATOM 0 HG22 ILE A 330 2.408 2.437 10.205 1.00 0.26 H new ATOM 0 HG23 ILE A 330 3.165 2.430 8.595 1.00 0.26 H new ATOM 0 HD11 ILE A 330 5.908 4.432 7.153 1.00 0.26 H new ATOM 0 HD12 ILE A 330 4.722 3.132 7.418 1.00 0.26 H new ATOM 0 HD13 ILE A 330 4.167 4.801 7.145 1.00 0.26 H new ATOM 600 N PRO A 331 0.312 4.105 9.002 1.00 0.19 N ATOM 601 CA PRO A 331 -1.017 3.619 9.390 1.00 0.23 C ATOM 602 C PRO A 331 -0.972 2.615 10.534 1.00 0.24 C ATOM 603 O PRO A 331 -0.142 1.701 10.547 1.00 0.29 O ATOM 604 CB PRO A 331 -1.534 2.936 8.128 1.00 0.29 C ATOM 605 CG PRO A 331 -0.788 3.560 7.005 1.00 0.27 C ATOM 606 CD PRO A 331 0.535 4.010 7.552 1.00 0.19 C ATOM 0 HA PRO A 331 -1.644 4.435 9.748 1.00 0.23 H new ATOM 0 HB2 PRO A 331 -1.361 1.861 8.165 1.00 0.29 H new ATOM 0 HB3 PRO A 331 -2.608 3.082 8.015 1.00 0.29 H new ATOM 0 HG2 PRO A 331 -0.647 2.847 6.193 1.00 0.27 H new ATOM 0 HG3 PRO A 331 -1.343 4.404 6.595 1.00 0.27 H new ATOM 0 HD2 PRO A 331 1.326 3.298 7.317 1.00 0.19 H new ATOM 0 HD3 PRO A 331 0.834 4.970 7.131 1.00 0.19 H new ATOM 614 N SER A 332 -1.921 2.746 11.446 1.00 0.34 N ATOM 615 CA SER A 332 -1.920 1.983 12.685 1.00 0.45 C ATOM 616 C SER A 332 -2.677 0.661 12.523 1.00 0.37 C ATOM 617 O SER A 332 -3.250 0.143 13.481 1.00 0.60 O ATOM 618 CB SER A 332 -2.570 2.822 13.787 1.00 0.67 C ATOM 619 OG SER A 332 -2.137 4.176 13.722 1.00 1.66 O ATOM 0 H SER A 332 -2.712 3.382 11.350 1.00 0.34 H new ATOM 0 HA SER A 332 -0.889 1.748 12.951 1.00 0.45 H new ATOM 0 HB2 SER A 332 -3.655 2.779 13.689 1.00 0.67 H new ATOM 0 HB3 SER A 332 -2.321 2.403 14.762 1.00 0.67 H new ATOM 0 HG SER A 332 -2.568 4.692 14.435 1.00 1.66 H new ATOM 625 N GLY A 333 -2.664 0.119 11.313 1.00 0.41 N ATOM 626 CA GLY A 333 -3.410 -1.090 11.031 1.00 0.34 C ATOM 627 C GLY A 333 -3.126 -1.622 9.647 1.00 0.36 C ATOM 628 O GLY A 333 -2.084 -1.320 9.054 1.00 0.46 O ATOM 0 H GLY A 333 -2.148 0.497 10.519 1.00 0.41 H new ATOM 0 HA2 GLY A 333 -3.159 -1.851 11.770 1.00 0.34 H new ATOM 0 HA3 GLY A 333 -4.477 -0.889 11.130 1.00 0.34 H new ATOM 632 N THR A 334 -4.041 -2.428 9.141 1.00 0.33 N ATOM 633 CA THR A 334 -3.941 -2.955 7.787 1.00 0.34 C ATOM 634 C THR A 334 -4.119 -1.844 6.753 1.00 0.29 C ATOM 635 O THR A 334 -5.191 -1.250 6.640 1.00 0.35 O ATOM 636 CB THR A 334 -4.985 -4.063 7.546 1.00 0.41 C ATOM 637 OG1 THR A 334 -6.230 -3.704 8.160 1.00 0.58 O ATOM 638 CG2 THR A 334 -4.504 -5.397 8.096 1.00 0.48 C ATOM 0 H THR A 334 -4.870 -2.736 9.650 1.00 0.33 H new ATOM 0 HA THR A 334 -2.945 -3.382 7.675 1.00 0.34 H new ATOM 0 HB THR A 334 -5.127 -4.168 6.470 1.00 0.41 H new ATOM 0 HG1 THR A 334 -6.434 -2.766 7.961 1.00 0.58 H new ATOM 0 HG21 THR A 334 -5.260 -6.160 7.912 1.00 0.48 H new ATOM 0 HG22 THR A 334 -3.575 -5.680 7.602 1.00 0.48 H new ATOM 0 HG23 THR A 334 -4.332 -5.308 9.169 1.00 0.48 H new ATOM 646 N TRP A 335 -3.057 -1.552 6.017 1.00 0.23 N ATOM 647 CA TRP A 335 -3.101 -0.501 5.019 1.00 0.20 C ATOM 648 C TRP A 335 -3.536 -1.071 3.670 1.00 0.17 C ATOM 649 O TRP A 335 -3.201 -2.209 3.327 1.00 0.18 O ATOM 650 CB TRP A 335 -1.738 0.190 4.900 1.00 0.21 C ATOM 651 CG TRP A 335 -1.749 1.319 3.918 1.00 0.20 C ATOM 652 CD1 TRP A 335 -2.197 2.587 4.135 1.00 0.23 C ATOM 653 CD2 TRP A 335 -1.308 1.277 2.560 1.00 0.20 C ATOM 654 NE1 TRP A 335 -2.069 3.334 2.990 1.00 0.24 N ATOM 655 CE2 TRP A 335 -1.528 2.550 2.008 1.00 0.23 C ATOM 656 CE3 TRP A 335 -0.748 0.282 1.760 1.00 0.21 C ATOM 657 CZ2 TRP A 335 -1.211 2.850 0.689 1.00 0.27 C ATOM 658 CZ3 TRP A 335 -0.438 0.578 0.452 1.00 0.26 C ATOM 659 CH2 TRP A 335 -0.671 1.854 -0.073 1.00 0.29 C ATOM 0 H TRP A 335 -2.158 -2.028 6.094 1.00 0.23 H new ATOM 0 HA TRP A 335 -3.832 0.244 5.333 1.00 0.20 H new ATOM 0 HB2 TRP A 335 -1.439 0.567 5.878 1.00 0.21 H new ATOM 0 HB3 TRP A 335 -0.989 -0.542 4.598 1.00 0.21 H new ATOM 0 HD1 TRP A 335 -2.595 2.951 5.071 1.00 0.23 H new ATOM 0 HE1 TRP A 335 -2.334 4.314 2.888 1.00 0.24 H new ATOM 0 HE3 TRP A 335 -0.561 -0.704 2.160 1.00 0.21 H new ATOM 0 HZ2 TRP A 335 -1.385 3.835 0.281 1.00 0.27 H new ATOM 0 HZ3 TRP A 335 -0.008 -0.186 -0.179 1.00 0.26 H new ATOM 0 HH2 TRP A 335 -0.418 2.055 -1.103 1.00 0.29 H new ATOM 670 N ARG A 336 -4.291 -0.280 2.921 1.00 0.18 N ATOM 671 CA ARG A 336 -4.810 -0.697 1.627 1.00 0.19 C ATOM 672 C ARG A 336 -4.255 0.176 0.505 1.00 0.21 C ATOM 673 O ARG A 336 -4.251 1.399 0.610 1.00 0.27 O ATOM 674 CB ARG A 336 -6.331 -0.586 1.624 1.00 0.28 C ATOM 675 CG ARG A 336 -7.029 -1.497 2.613 1.00 0.43 C ATOM 676 CD ARG A 336 -8.499 -1.134 2.714 1.00 0.63 C ATOM 677 NE ARG A 336 -9.248 -2.030 3.592 1.00 1.09 N ATOM 678 CZ ARG A 336 -9.888 -1.638 4.691 1.00 1.55 C ATOM 679 NH1 ARG A 336 -9.745 -0.403 5.154 1.00 1.85 N ATOM 680 NH2 ARG A 336 -10.656 -2.494 5.343 1.00 1.99 N ATOM 0 H ARG A 336 -4.560 0.666 3.192 1.00 0.18 H new ATOM 0 HA ARG A 336 -4.503 -1.729 1.458 1.00 0.19 H new ATOM 0 HB2 ARG A 336 -6.608 0.446 1.841 1.00 0.28 H new ATOM 0 HB3 ARG A 336 -6.697 -0.810 0.622 1.00 0.28 H new ATOM 0 HG2 ARG A 336 -6.924 -2.535 2.298 1.00 0.43 H new ATOM 0 HG3 ARG A 336 -6.558 -1.412 3.592 1.00 0.43 H new ATOM 0 HD2 ARG A 336 -8.591 -0.112 3.082 1.00 0.63 H new ATOM 0 HD3 ARG A 336 -8.942 -1.155 1.718 1.00 0.63 H new ATOM 0 HE ARG A 336 -9.283 -3.020 3.347 1.00 1.09 H new ATOM 0 HH11 ARG A 336 -9.139 0.257 4.667 1.00 1.85 H new ATOM 0 HH12 ARG A 336 -10.241 -0.114 5.997 1.00 1.85 H new ATOM 0 HH21 ARG A 336 -10.756 -3.451 5.003 1.00 1.99 H new ATOM 0 HH22 ARG A 336 -11.148 -2.198 6.186 1.00 1.99 H new ATOM 694 N CYS A 337 -3.804 -0.458 -0.570 1.00 0.24 N ATOM 695 CA CYS A 337 -3.323 0.263 -1.745 1.00 0.32 C ATOM 696 C CYS A 337 -4.500 0.702 -2.612 1.00 0.40 C ATOM 697 O CYS A 337 -5.652 0.404 -2.288 1.00 0.37 O ATOM 698 CB CYS A 337 -2.386 -0.625 -2.564 1.00 0.37 C ATOM 699 SG CYS A 337 -3.167 -2.154 -3.171 1.00 0.63 S ATOM 0 H CYS A 337 -3.761 -1.474 -0.654 1.00 0.24 H new ATOM 0 HA CYS A 337 -2.777 1.145 -1.410 1.00 0.32 H new ATOM 0 HB2 CYS A 337 -2.013 -0.056 -3.415 1.00 0.37 H new ATOM 0 HB3 CYS A 337 -1.522 -0.887 -1.953 1.00 0.37 H new ATOM 704 N SER A 338 -4.210 1.381 -3.716 1.00 0.53 N ATOM 705 CA SER A 338 -5.244 1.912 -4.601 1.00 0.63 C ATOM 706 C SER A 338 -6.239 0.831 -5.032 1.00 0.62 C ATOM 707 O SER A 338 -7.451 1.050 -4.992 1.00 0.63 O ATOM 708 CB SER A 338 -4.590 2.544 -5.828 1.00 0.81 C ATOM 709 OG SER A 338 -3.573 3.455 -5.441 1.00 1.47 O ATOM 0 H SER A 338 -3.258 1.579 -4.023 1.00 0.53 H new ATOM 0 HA SER A 338 -5.804 2.667 -4.049 1.00 0.63 H new ATOM 0 HB2 SER A 338 -4.166 1.765 -6.462 1.00 0.81 H new ATOM 0 HB3 SER A 338 -5.343 3.063 -6.421 1.00 0.81 H new ATOM 0 HG SER A 338 -3.165 3.848 -6.240 1.00 1.47 H new ATOM 715 N SER A 339 -5.724 -0.332 -5.429 1.00 0.64 N ATOM 716 CA SER A 339 -6.564 -1.446 -5.865 1.00 0.69 C ATOM 717 C SER A 339 -7.569 -1.839 -4.778 1.00 0.59 C ATOM 718 O SER A 339 -8.759 -1.996 -5.046 1.00 0.63 O ATOM 719 CB SER A 339 -5.686 -2.646 -6.245 1.00 0.79 C ATOM 720 OG SER A 339 -6.460 -3.712 -6.765 1.00 1.67 O ATOM 0 H SER A 339 -4.723 -0.527 -5.457 1.00 0.64 H new ATOM 0 HA SER A 339 -7.129 -1.128 -6.741 1.00 0.69 H new ATOM 0 HB2 SER A 339 -4.947 -2.338 -6.984 1.00 0.79 H new ATOM 0 HB3 SER A 339 -5.136 -2.988 -5.368 1.00 0.79 H new ATOM 0 HG SER A 339 -5.871 -4.460 -6.999 1.00 1.67 H new ATOM 726 N CYS A 340 -7.088 -1.973 -3.550 1.00 0.51 N ATOM 727 CA CYS A 340 -7.942 -2.335 -2.426 1.00 0.48 C ATOM 728 C CYS A 340 -8.948 -1.226 -2.129 1.00 0.48 C ATOM 729 O CYS A 340 -10.118 -1.493 -1.858 1.00 0.57 O ATOM 730 CB CYS A 340 -7.094 -2.638 -1.195 1.00 0.45 C ATOM 731 SG CYS A 340 -5.991 -4.072 -1.396 1.00 0.55 S ATOM 0 H CYS A 340 -6.107 -1.836 -3.306 1.00 0.51 H new ATOM 0 HA CYS A 340 -8.500 -3.232 -2.692 1.00 0.48 H new ATOM 0 HB2 CYS A 340 -6.494 -1.761 -0.954 1.00 0.45 H new ATOM 0 HB3 CYS A 340 -7.754 -2.815 -0.346 1.00 0.45 H new ATOM 736 N LEU A 341 -8.485 0.020 -2.186 1.00 0.48 N ATOM 737 CA LEU A 341 -9.344 1.178 -1.947 1.00 0.59 C ATOM 738 C LEU A 341 -10.433 1.273 -3.006 1.00 0.69 C ATOM 739 O LEU A 341 -11.535 1.744 -2.732 1.00 0.85 O ATOM 740 CB LEU A 341 -8.519 2.467 -1.949 1.00 0.66 C ATOM 741 CG LEU A 341 -7.443 2.558 -0.866 1.00 0.62 C ATOM 742 CD1 LEU A 341 -6.615 3.821 -1.042 1.00 0.78 C ATOM 743 CD2 LEU A 341 -8.077 2.524 0.516 1.00 0.65 C ATOM 0 H LEU A 341 -7.515 0.255 -2.397 1.00 0.48 H new ATOM 0 HA LEU A 341 -9.811 1.051 -0.970 1.00 0.59 H new ATOM 0 HB2 LEU A 341 -8.040 2.571 -2.923 1.00 0.66 H new ATOM 0 HB3 LEU A 341 -9.197 3.313 -1.836 1.00 0.66 H new ATOM 0 HG LEU A 341 -6.781 1.697 -0.963 1.00 0.62 H new ATOM 0 HD11 LEU A 341 -5.854 3.869 -0.263 1.00 0.78 H new ATOM 0 HD12 LEU A 341 -6.133 3.807 -2.019 1.00 0.78 H new ATOM 0 HD13 LEU A 341 -7.264 4.694 -0.970 1.00 0.78 H new ATOM 0 HD21 LEU A 341 -7.298 2.590 1.275 1.00 0.65 H new ATOM 0 HD22 LEU A 341 -8.760 3.366 0.624 1.00 0.65 H new ATOM 0 HD23 LEU A 341 -8.628 1.592 0.641 1.00 0.65 H new ATOM 755 N GLN A 342 -10.117 0.822 -4.212 1.00 0.68 N ATOM 756 CA GLN A 342 -11.062 0.844 -5.314 1.00 0.81 C ATOM 757 C GLN A 342 -12.207 -0.130 -5.058 1.00 0.87 C ATOM 758 O GLN A 342 -13.319 0.051 -5.554 1.00 1.05 O ATOM 759 CB GLN A 342 -10.341 0.506 -6.618 1.00 0.92 C ATOM 760 CG GLN A 342 -11.200 0.672 -7.862 1.00 1.13 C ATOM 761 CD GLN A 342 -10.433 0.398 -9.141 1.00 1.37 C ATOM 762 OE1 GLN A 342 -9.500 -0.409 -9.164 1.00 1.79 O ATOM 763 NE2 GLN A 342 -10.822 1.061 -10.217 1.00 1.93 N ATOM 0 H GLN A 342 -9.205 0.434 -4.451 1.00 0.68 H new ATOM 0 HA GLN A 342 -11.487 1.844 -5.398 1.00 0.81 H new ATOM 0 HB2 GLN A 342 -9.461 1.142 -6.710 1.00 0.92 H new ATOM 0 HB3 GLN A 342 -9.987 -0.524 -6.569 1.00 0.92 H new ATOM 0 HG2 GLN A 342 -12.053 -0.004 -7.803 1.00 1.13 H new ATOM 0 HG3 GLN A 342 -11.598 1.686 -7.892 1.00 1.13 H new ATOM 0 HE21 GLN A 342 -11.598 1.720 -10.157 1.00 1.93 H new ATOM 0 HE22 GLN A 342 -10.346 0.913 -11.107 1.00 1.93 H new ATOM 772 N ALA A 343 -11.937 -1.158 -4.266 1.00 0.84 N ATOM 773 CA ALA A 343 -12.964 -2.107 -3.857 1.00 1.01 C ATOM 774 C ALA A 343 -13.735 -1.577 -2.650 1.00 1.11 C ATOM 775 O ALA A 343 -14.001 -2.307 -1.694 1.00 1.31 O ATOM 776 CB ALA A 343 -12.339 -3.461 -3.546 1.00 1.06 C ATOM 0 H ALA A 343 -11.009 -1.357 -3.892 1.00 0.84 H new ATOM 0 HA ALA A 343 -13.668 -2.233 -4.680 1.00 1.01 H new ATOM 0 HB1 ALA A 343 -13.118 -4.160 -3.242 1.00 1.06 H new ATOM 0 HB2 ALA A 343 -11.836 -3.842 -4.435 1.00 1.06 H new ATOM 0 HB3 ALA A 343 -11.615 -3.351 -2.739 1.00 1.06 H new ATOM 782 N THR A 344 -14.049 -0.286 -2.691 1.00 1.11 N ATOM 783 CA THR A 344 -14.850 0.364 -1.664 1.00 1.35 C ATOM 784 C THR A 344 -16.280 -0.183 -1.626 1.00 1.98 C ATOM 785 O THR A 344 -17.228 0.476 -2.063 1.00 2.69 O ATOM 786 CB THR A 344 -14.888 1.884 -1.903 1.00 1.92 C ATOM 787 OG1 THR A 344 -14.113 2.210 -3.067 1.00 2.52 O ATOM 788 CG2 THR A 344 -14.348 2.637 -0.698 1.00 2.43 C ATOM 0 H THR A 344 -13.753 0.339 -3.441 1.00 1.11 H new ATOM 0 HA THR A 344 -14.381 0.153 -0.703 1.00 1.35 H new ATOM 0 HB THR A 344 -15.925 2.183 -2.058 1.00 1.92 H new ATOM 0 HG1 THR A 344 -13.163 2.238 -2.830 1.00 2.52 H new ATOM 0 HG21 THR A 344 -14.386 3.709 -0.892 1.00 2.43 H new ATOM 0 HG22 THR A 344 -14.954 2.405 0.178 1.00 2.43 H new ATOM 0 HG23 THR A 344 -13.316 2.337 -0.514 1.00 2.43 H new ATOM 796 N VAL A 345 -16.422 -1.399 -1.123 1.00 2.46 N ATOM 797 CA VAL A 345 -17.731 -2.006 -0.940 1.00 3.48 C ATOM 798 C VAL A 345 -18.331 -1.521 0.369 1.00 3.77 C ATOM 799 O VAL A 345 -19.527 -1.241 0.460 1.00 4.41 O ATOM 800 CB VAL A 345 -17.651 -3.546 -0.925 1.00 4.43 C ATOM 801 CG1 VAL A 345 -19.038 -4.160 -0.796 1.00 5.52 C ATOM 802 CG2 VAL A 345 -16.951 -4.058 -2.173 1.00 4.61 C ATOM 0 H VAL A 345 -15.642 -1.988 -0.833 1.00 2.46 H new ATOM 0 HA VAL A 345 -18.359 -1.711 -1.780 1.00 3.48 H new ATOM 0 HB VAL A 345 -17.066 -3.847 -0.056 1.00 4.43 H new ATOM 0 HG11 VAL A 345 -18.955 -5.247 -0.788 1.00 5.52 H new ATOM 0 HG12 VAL A 345 -19.500 -3.824 0.132 1.00 5.52 H new ATOM 0 HG13 VAL A 345 -19.653 -3.849 -1.640 1.00 5.52 H new ATOM 0 HG21 VAL A 345 -16.905 -5.147 -2.143 1.00 4.61 H new ATOM 0 HG22 VAL A 345 -17.506 -3.742 -3.057 1.00 4.61 H new ATOM 0 HG23 VAL A 345 -15.940 -3.653 -2.215 1.00 4.61 H new ATOM 812 N GLN A 346 -17.477 -1.411 1.375 1.00 3.72 N ATOM 813 CA GLN A 346 -17.886 -0.930 2.682 1.00 4.43 C ATOM 814 C GLN A 346 -18.142 0.571 2.623 1.00 4.64 C ATOM 815 O GLN A 346 -17.389 1.314 1.991 1.00 4.85 O ATOM 816 CB GLN A 346 -16.816 -1.246 3.733 1.00 4.92 C ATOM 817 CG GLN A 346 -16.758 -2.712 4.163 1.00 5.36 C ATOM 818 CD GLN A 346 -16.508 -3.681 3.020 1.00 6.22 C ATOM 819 OE1 GLN A 346 -15.364 -3.954 2.658 1.00 6.73 O ATOM 820 NE2 GLN A 346 -17.577 -4.231 2.460 1.00 6.73 N ATOM 0 H GLN A 346 -16.488 -1.651 1.308 1.00 3.72 H new ATOM 0 HA GLN A 346 -18.807 -1.438 2.969 1.00 4.43 H new ATOM 0 HB2 GLN A 346 -15.842 -0.958 3.338 1.00 4.92 H new ATOM 0 HB3 GLN A 346 -16.998 -0.630 4.614 1.00 4.92 H new ATOM 0 HG2 GLN A 346 -15.969 -2.831 4.906 1.00 5.36 H new ATOM 0 HG3 GLN A 346 -17.697 -2.975 4.650 1.00 5.36 H new ATOM 0 HE21 GLN A 346 -18.510 -3.980 2.787 1.00 6.73 H new ATOM 0 HE22 GLN A 346 -17.466 -4.905 1.702 1.00 6.73 H new ATOM 829 N GLU A 347 -19.197 1.011 3.291 1.00 5.05 N ATOM 830 CA GLU A 347 -19.619 2.404 3.226 1.00 5.69 C ATOM 831 C GLU A 347 -19.522 3.050 4.596 1.00 6.30 C ATOM 832 O GLU A 347 -20.314 3.923 4.953 1.00 6.66 O ATOM 833 CB GLU A 347 -21.048 2.502 2.698 1.00 6.27 C ATOM 834 CG GLU A 347 -21.240 1.814 1.359 1.00 6.68 C ATOM 835 CD GLU A 347 -22.643 1.974 0.823 1.00 7.28 C ATOM 836 OE1 GLU A 347 -23.595 1.957 1.626 1.00 7.68 O ATOM 837 OE2 GLU A 347 -22.800 2.132 -0.404 1.00 7.60 O ATOM 0 H GLU A 347 -19.779 0.422 3.887 1.00 5.05 H new ATOM 0 HA GLU A 347 -18.956 2.934 2.542 1.00 5.69 H new ATOM 0 HB2 GLU A 347 -21.728 2.061 3.426 1.00 6.27 H new ATOM 0 HB3 GLU A 347 -21.321 3.553 2.602 1.00 6.27 H new ATOM 0 HG2 GLU A 347 -20.531 2.222 0.639 1.00 6.68 H new ATOM 0 HG3 GLU A 347 -21.013 0.753 1.463 1.00 6.68 H new ATOM 844 N VAL A 348 -18.531 2.626 5.354 1.00 6.79 N ATOM 845 CA VAL A 348 -18.343 3.114 6.699 1.00 7.69 C ATOM 846 C VAL A 348 -16.912 3.610 6.881 1.00 8.41 C ATOM 847 O VAL A 348 -16.043 2.917 7.408 1.00 9.19 O ATOM 848 CB VAL A 348 -18.709 2.038 7.758 1.00 8.24 C ATOM 849 CG1 VAL A 348 -17.960 0.732 7.516 1.00 8.98 C ATOM 850 CG2 VAL A 348 -18.462 2.559 9.171 1.00 8.51 C ATOM 0 H VAL A 348 -17.840 1.938 5.055 1.00 6.79 H new ATOM 0 HA VAL A 348 -19.023 3.952 6.855 1.00 7.69 H new ATOM 0 HB VAL A 348 -19.773 1.825 7.656 1.00 8.24 H new ATOM 0 HG11 VAL A 348 -18.242 0.004 8.277 1.00 8.98 H new ATOM 0 HG12 VAL A 348 -18.215 0.344 6.530 1.00 8.98 H new ATOM 0 HG13 VAL A 348 -16.886 0.913 7.568 1.00 8.98 H new ATOM 0 HG21 VAL A 348 -18.726 1.788 9.895 1.00 8.51 H new ATOM 0 HG22 VAL A 348 -17.409 2.818 9.284 1.00 8.51 H new ATOM 0 HG23 VAL A 348 -19.074 3.444 9.345 1.00 8.51 H new ATOM 860 N GLN A 349 -16.666 4.808 6.386 1.00 8.35 N ATOM 861 CA GLN A 349 -15.388 5.462 6.582 1.00 9.25 C ATOM 862 C GLN A 349 -15.391 6.154 7.937 1.00 9.81 C ATOM 863 O GLN A 349 -16.122 7.128 8.138 1.00 9.85 O ATOM 864 CB GLN A 349 -15.126 6.471 5.461 1.00 9.50 C ATOM 865 CG GLN A 349 -15.076 5.842 4.076 1.00 9.64 C ATOM 866 CD GLN A 349 -14.843 6.854 2.970 1.00 10.09 C ATOM 867 OE1 GLN A 349 -15.293 6.670 1.837 1.00 10.30 O ATOM 868 NE2 GLN A 349 -14.131 7.926 3.280 1.00 10.48 N ATOM 0 H GLN A 349 -17.338 5.350 5.843 1.00 8.35 H new ATOM 0 HA GLN A 349 -14.590 4.720 6.556 1.00 9.25 H new ATOM 0 HB2 GLN A 349 -15.907 7.231 5.478 1.00 9.50 H new ATOM 0 HB3 GLN A 349 -14.182 6.980 5.654 1.00 9.50 H new ATOM 0 HG2 GLN A 349 -14.282 5.096 4.051 1.00 9.64 H new ATOM 0 HG3 GLN A 349 -16.012 5.317 3.888 1.00 9.64 H new ATOM 0 HE21 GLN A 349 -13.775 8.045 4.228 1.00 10.48 H new ATOM 0 HE22 GLN A 349 -13.939 8.633 2.571 1.00 10.48 H new ATOM 877 N PRO A 350 -14.597 5.638 8.889 1.00 10.46 N ATOM 878 CA PRO A 350 -14.558 6.149 10.263 1.00 11.22 C ATOM 879 C PRO A 350 -14.202 7.629 10.337 1.00 12.02 C ATOM 880 O PRO A 350 -13.488 8.159 9.484 1.00 12.51 O ATOM 881 CB PRO A 350 -13.464 5.308 10.927 1.00 11.80 C ATOM 882 CG PRO A 350 -13.396 4.070 10.111 1.00 11.63 C ATOM 883 CD PRO A 350 -13.673 4.507 8.704 1.00 10.74 C ATOM 0 HA PRO A 350 -15.533 6.071 10.744 1.00 11.22 H new ATOM 0 HB2 PRO A 350 -12.509 5.833 10.932 1.00 11.80 H new ATOM 0 HB3 PRO A 350 -13.710 5.085 11.965 1.00 11.80 H new ATOM 0 HG2 PRO A 350 -12.416 3.600 10.191 1.00 11.63 H new ATOM 0 HG3 PRO A 350 -14.130 3.337 10.447 1.00 11.63 H new ATOM 0 HD2 PRO A 350 -12.762 4.809 8.188 1.00 10.74 H new ATOM 0 HD3 PRO A 350 -14.124 3.709 8.114 1.00 10.74 H new ATOM 891 N ARG A 351 -14.692 8.287 11.375 1.00 12.32 N ATOM 892 CA ARG A 351 -14.439 9.704 11.557 1.00 13.21 C ATOM 893 C ARG A 351 -13.630 9.953 12.818 1.00 14.01 C ATOM 894 O ARG A 351 -13.695 11.033 13.410 1.00 14.62 O ATOM 895 CB ARG A 351 -15.735 10.502 11.588 1.00 13.33 C ATOM 896 CG ARG A 351 -16.391 10.610 10.227 1.00 13.46 C ATOM 897 CD ARG A 351 -15.434 11.164 9.178 1.00 13.60 C ATOM 898 NE ARG A 351 -14.690 12.336 9.650 1.00 14.02 N ATOM 899 CZ ARG A 351 -13.673 12.888 8.986 1.00 14.33 C ATOM 900 NH1 ARG A 351 -13.321 12.425 7.794 1.00 14.26 N ATOM 901 NH2 ARG A 351 -13.014 13.911 9.508 1.00 14.87 N ATOM 0 H ARG A 351 -15.266 7.862 12.103 1.00 12.32 H new ATOM 0 HA ARG A 351 -13.857 10.045 10.701 1.00 13.21 H new ATOM 0 HB2 ARG A 351 -16.429 10.032 12.284 1.00 13.33 H new ATOM 0 HB3 ARG A 351 -15.531 11.503 11.968 1.00 13.33 H new ATOM 0 HG2 ARG A 351 -16.743 9.627 9.914 1.00 13.46 H new ATOM 0 HG3 ARG A 351 -17.267 11.255 10.296 1.00 13.46 H new ATOM 0 HD2 ARG A 351 -14.729 10.385 8.888 1.00 13.60 H new ATOM 0 HD3 ARG A 351 -15.998 11.433 8.285 1.00 13.60 H new ATOM 0 HE ARG A 351 -14.966 12.754 10.538 1.00 14.02 H new ATOM 0 HH11 ARG A 351 -13.829 11.643 7.380 1.00 14.26 H new ATOM 0 HH12 ARG A 351 -12.543 12.851 7.291 1.00 14.26 H new ATOM 0 HH21 ARG A 351 -13.283 14.279 10.420 1.00 14.87 H new ATOM 0 HH22 ARG A 351 -12.237 14.331 8.998 1.00 14.87 H new ATOM 915 N ALA A 352 -12.877 8.943 13.233 1.00 14.16 N ATOM 916 CA ALA A 352 -11.962 9.083 14.354 1.00 15.05 C ATOM 917 C ALA A 352 -10.730 9.853 13.902 1.00 15.58 C ATOM 918 O ALA A 352 -9.664 9.277 13.666 1.00 15.81 O ATOM 919 CB ALA A 352 -11.579 7.717 14.906 1.00 15.21 C ATOM 0 H ALA A 352 -12.883 8.016 12.808 1.00 14.16 H new ATOM 0 HA ALA A 352 -12.452 9.636 15.155 1.00 15.05 H new ATOM 0 HB1 ALA A 352 -10.894 7.842 15.744 1.00 15.21 H new ATOM 0 HB2 ALA A 352 -12.475 7.197 15.245 1.00 15.21 H new ATOM 0 HB3 ALA A 352 -11.093 7.132 14.125 1.00 15.21 H new ATOM 925 N GLU A 353 -10.890 11.159 13.762 1.00 15.90 N ATOM 926 CA GLU A 353 -9.865 12.005 13.186 1.00 16.56 C ATOM 927 C GLU A 353 -8.915 12.523 14.258 1.00 17.16 C ATOM 928 O GLU A 353 -9.330 12.873 15.367 1.00 17.69 O ATOM 929 CB GLU A 353 -10.516 13.167 12.422 1.00 16.64 C ATOM 930 CG GLU A 353 -11.406 14.065 13.276 1.00 17.13 C ATOM 931 CD GLU A 353 -12.366 14.892 12.445 1.00 17.09 C ATOM 932 OE1 GLU A 353 -13.467 14.400 12.129 1.00 17.07 O ATOM 933 OE2 GLU A 353 -12.027 16.048 12.109 1.00 17.21 O ATOM 0 H GLU A 353 -11.733 11.659 14.045 1.00 15.90 H new ATOM 0 HA GLU A 353 -9.277 11.411 12.487 1.00 16.56 H new ATOM 0 HB2 GLU A 353 -9.731 13.776 11.973 1.00 16.64 H new ATOM 0 HB3 GLU A 353 -11.110 12.760 11.604 1.00 16.64 H new ATOM 0 HG2 GLU A 353 -11.973 13.450 13.975 1.00 17.13 H new ATOM 0 HG3 GLU A 353 -10.781 14.730 13.871 1.00 17.13 H new ATOM 940 N GLU A 354 -7.638 12.541 13.927 1.00 17.19 N ATOM 941 CA GLU A 354 -6.614 13.029 14.833 1.00 17.88 C ATOM 942 C GLU A 354 -6.197 14.435 14.424 1.00 18.30 C ATOM 943 O GLU A 354 -6.680 15.404 15.043 1.00 18.38 O ATOM 944 CB GLU A 354 -5.413 12.080 14.823 1.00 17.97 C ATOM 945 CG GLU A 354 -5.737 10.688 15.347 1.00 18.18 C ATOM 946 CD GLU A 354 -4.644 9.682 15.059 1.00 18.58 C ATOM 947 OE1 GLU A 354 -3.581 9.751 15.715 1.00 18.79 O ATOM 948 OE2 GLU A 354 -4.839 8.815 14.186 1.00 18.81 O ATOM 949 OXT GLU A 354 -5.423 14.565 13.455 1.00 18.67 O ATOM 0 H GLU A 354 -7.282 12.220 13.027 1.00 17.19 H new ATOM 0 HA GLU A 354 -7.012 13.066 15.847 1.00 17.88 H new ATOM 0 HB2 GLU A 354 -5.033 11.997 13.805 1.00 17.97 H new ATOM 0 HB3 GLU A 354 -4.614 12.511 15.427 1.00 17.97 H new ATOM 0 HG2 GLU A 354 -5.902 10.740 16.423 1.00 18.18 H new ATOM 0 HG3 GLU A 354 -6.669 10.344 14.898 1.00 18.18 H new TER 956 GLU A 354 ATOM 957 N ALA B 1 0.626 -1.003 9.063 1.00 0.29 N ATOM 958 CA ALA B 1 0.992 -1.163 7.635 1.00 0.21 C ATOM 959 C ALA B 1 2.166 -2.127 7.496 1.00 0.20 C ATOM 960 O ALA B 1 2.928 -2.321 8.443 1.00 0.28 O ATOM 961 CB ALA B 1 1.330 0.196 7.037 1.00 0.21 C ATOM 0 H1 ALA B 1 -0.308 -1.429 9.232 1.00 0.29 H new ATOM 0 H2 ALA B 1 1.335 -1.476 9.658 1.00 0.29 H new ATOM 0 H3 ALA B 1 0.593 0.009 9.302 1.00 0.29 H new ATOM 0 HA ALA B 1 0.146 -1.582 7.090 1.00 0.21 H new ATOM 0 HB1 ALA B 1 1.599 0.075 5.988 1.00 0.21 H new ATOM 0 HB2 ALA B 1 0.465 0.854 7.117 1.00 0.21 H new ATOM 0 HB3 ALA B 1 2.169 0.633 7.578 1.00 0.21 H new ATOM 969 N ARG B 2 2.302 -2.748 6.323 1.00 0.18 N ATOM 970 CA ARG B 2 3.395 -3.691 6.085 1.00 0.19 C ATOM 971 C ARG B 2 4.665 -2.919 5.748 1.00 0.23 C ATOM 972 O ARG B 2 5.068 -2.844 4.594 1.00 0.61 O ATOM 973 CB ARG B 2 3.044 -4.658 4.939 1.00 0.21 C ATOM 974 CG ARG B 2 4.033 -5.807 4.769 1.00 0.24 C ATOM 975 CD ARG B 2 3.763 -6.619 3.508 1.00 0.33 C ATOM 976 NE ARG B 2 2.348 -6.942 3.310 1.00 0.32 N ATOM 977 CZ ARG B 2 1.711 -7.956 3.903 1.00 0.44 C ATOM 978 NH1 ARG B 2 2.338 -8.728 4.787 1.00 0.54 N ATOM 979 NH2 ARG B 2 0.446 -8.204 3.596 1.00 0.69 N ATOM 0 H ARG B 2 1.675 -2.616 5.530 1.00 0.18 H new ATOM 0 HA ARG B 2 3.554 -4.280 6.988 1.00 0.19 H new ATOM 0 HB2 ARG B 2 2.051 -5.071 5.117 1.00 0.21 H new ATOM 0 HB3 ARG B 2 2.993 -4.096 4.006 1.00 0.21 H new ATOM 0 HG2 ARG B 2 5.047 -5.409 4.732 1.00 0.24 H new ATOM 0 HG3 ARG B 2 3.979 -6.462 5.639 1.00 0.24 H new ATOM 0 HD2 ARG B 2 4.124 -6.062 2.643 1.00 0.33 H new ATOM 0 HD3 ARG B 2 4.336 -7.545 3.553 1.00 0.33 H new ATOM 0 HE ARG B 2 1.811 -6.351 2.675 1.00 0.32 H new ATOM 0 HH11 ARG B 2 3.315 -8.549 5.018 1.00 0.54 H new ATOM 0 HH12 ARG B 2 1.842 -9.499 5.233 1.00 0.54 H new ATOM 0 HH21 ARG B 2 -0.036 -7.622 2.911 1.00 0.69 H new ATOM 0 HH22 ARG B 2 -0.046 -8.977 4.045 1.00 0.69 H new ATOM 993 N THR B 3 5.272 -2.325 6.753 1.00 0.29 N ATOM 994 CA THR B 3 6.451 -1.506 6.551 1.00 0.30 C ATOM 995 C THR B 3 7.675 -2.350 6.208 1.00 0.31 C ATOM 996 O THR B 3 7.785 -3.507 6.624 1.00 0.38 O ATOM 997 CB THR B 3 6.730 -0.660 7.802 1.00 0.33 C ATOM 998 OG1 THR B 3 6.556 -1.464 8.978 1.00 0.95 O ATOM 999 CG2 THR B 3 5.802 0.544 7.856 1.00 0.70 C ATOM 0 H THR B 3 4.967 -2.394 7.724 1.00 0.29 H new ATOM 0 HA THR B 3 6.253 -0.848 5.705 1.00 0.30 H new ATOM 0 HB THR B 3 7.758 -0.300 7.757 1.00 0.33 H new ATOM 0 HG1 THR B 3 6.736 -0.922 9.774 1.00 0.95 H new ATOM 0 HG21 THR B 3 6.017 1.129 8.750 1.00 0.70 H new ATOM 0 HG22 THR B 3 5.956 1.162 6.972 1.00 0.70 H new ATOM 0 HG23 THR B 3 4.767 0.204 7.885 1.00 0.70 H new ATOM 1007 N LYS B 4 8.578 -1.771 5.431 1.00 0.28 N ATOM 1008 CA LYS B 4 9.806 -2.443 5.036 1.00 0.30 C ATOM 1009 C LYS B 4 10.984 -1.487 5.119 1.00 0.34 C ATOM 1010 O LYS B 4 10.812 -0.270 5.045 1.00 0.37 O ATOM 1011 CB LYS B 4 9.704 -2.992 3.612 1.00 0.30 C ATOM 1012 CG LYS B 4 8.700 -4.117 3.449 1.00 0.34 C ATOM 1013 CD LYS B 4 8.750 -4.704 2.048 1.00 0.40 C ATOM 1014 CE LYS B 4 10.120 -5.288 1.747 1.00 0.54 C ATOM 1015 NZ LYS B 4 10.103 -6.138 0.532 1.00 0.75 N ATOM 0 H LYS B 4 8.481 -0.827 5.058 1.00 0.28 H new ATOM 0 HA LYS B 4 9.960 -3.275 5.723 1.00 0.30 H new ATOM 0 HB2 LYS B 4 9.433 -2.178 2.940 1.00 0.30 H new ATOM 0 HB3 LYS B 4 10.686 -3.349 3.301 1.00 0.30 H new ATOM 0 HG2 LYS B 4 8.905 -4.899 4.180 1.00 0.34 H new ATOM 0 HG3 LYS B 4 7.696 -3.744 3.654 1.00 0.34 H new ATOM 0 HD2 LYS B 4 7.991 -5.480 1.948 1.00 0.40 H new ATOM 0 HD3 LYS B 4 8.513 -3.930 1.318 1.00 0.40 H new ATOM 0 HE2 LYS B 4 10.838 -4.479 1.614 1.00 0.54 H new ATOM 0 HE3 LYS B 4 10.458 -5.878 2.599 1.00 0.54 H new ATOM 0 HZ1 LYS B 4 11.075 -6.421 0.293 1.00 0.75 H new ATOM 0 HZ2 LYS B 4 9.529 -6.987 0.710 1.00 0.75 H new ATOM 0 HZ3 LYS B 4 9.693 -5.603 -0.260 1.00 0.75 H new ATOM 1029 N GLN B 5 12.170 -2.052 5.269 1.00 0.46 N ATOM 1030 CA GLN B 5 13.400 -1.279 5.299 1.00 0.52 C ATOM 1031 C GLN B 5 14.392 -1.879 4.311 1.00 0.57 C ATOM 1032 O GLN B 5 15.207 -2.731 4.669 1.00 1.35 O ATOM 1033 CB GLN B 5 13.987 -1.279 6.714 1.00 0.73 C ATOM 1034 CG GLN B 5 15.224 -0.405 6.873 1.00 1.45 C ATOM 1035 CD GLN B 5 14.942 1.065 6.633 1.00 2.10 C ATOM 1036 OE1 GLN B 5 13.839 1.550 6.888 1.00 2.62 O ATOM 1037 NE2 GLN B 5 15.940 1.786 6.151 1.00 2.88 N ATOM 0 H GLN B 5 12.307 -3.057 5.373 1.00 0.46 H new ATOM 0 HA GLN B 5 13.191 -0.248 5.016 1.00 0.52 H new ATOM 0 HB2 GLN B 5 13.223 -0.939 7.413 1.00 0.73 H new ATOM 0 HB3 GLN B 5 14.240 -2.302 6.991 1.00 0.73 H new ATOM 0 HG2 GLN B 5 15.627 -0.533 7.878 1.00 1.45 H new ATOM 0 HG3 GLN B 5 15.992 -0.741 6.176 1.00 1.45 H new ATOM 0 HE21 GLN B 5 16.838 1.345 5.953 1.00 2.88 H new ATOM 0 HE22 GLN B 5 15.811 2.783 5.977 1.00 2.88 H new ATOM 1046 N THR B 6 14.294 -1.461 3.062 1.00 0.67 N ATOM 1047 CA THR B 6 15.160 -1.985 2.021 1.00 0.58 C ATOM 1048 C THR B 6 16.200 -0.951 1.613 1.00 0.67 C ATOM 1049 O THR B 6 16.145 0.202 2.043 1.00 0.88 O ATOM 1050 CB THR B 6 14.348 -2.418 0.781 1.00 0.57 C ATOM 1051 OG1 THR B 6 13.554 -1.326 0.298 1.00 1.03 O ATOM 1052 CG2 THR B 6 13.444 -3.596 1.111 1.00 0.70 C ATOM 0 H THR B 6 13.624 -0.761 2.744 1.00 0.67 H new ATOM 0 HA THR B 6 15.666 -2.860 2.429 1.00 0.58 H new ATOM 0 HB THR B 6 15.053 -2.721 0.007 1.00 0.57 H new ATOM 0 HG1 THR B 6 13.147 -1.571 -0.559 1.00 1.03 H new ATOM 0 HG21 THR B 6 12.882 -3.883 0.222 1.00 0.70 H new ATOM 0 HG22 THR B 6 14.051 -4.438 1.445 1.00 0.70 H new ATOM 0 HG23 THR B 6 12.751 -3.312 1.903 1.00 0.70 H new ATOM 1060 N ALA B 7 17.154 -1.373 0.797 1.00 0.68 N ATOM 1061 CA ALA B 7 18.179 -0.474 0.299 1.00 0.75 C ATOM 1062 C ALA B 7 17.626 0.397 -0.820 1.00 0.70 C ATOM 1063 O ALA B 7 16.927 -0.094 -1.713 1.00 0.67 O ATOM 1064 CB ALA B 7 19.381 -1.265 -0.195 1.00 0.90 C ATOM 0 H ALA B 7 17.238 -2.334 0.466 1.00 0.68 H new ATOM 0 HA ALA B 7 18.498 0.173 1.117 1.00 0.75 H new ATOM 0 HB1 ALA B 7 20.142 -0.578 -0.566 1.00 0.90 H new ATOM 0 HB2 ALA B 7 19.792 -1.853 0.626 1.00 0.90 H new ATOM 0 HB3 ALA B 7 19.072 -1.932 -1.000 1.00 0.90 H new ATOM 1070 N ARG B 8 17.932 1.685 -0.751 1.00 0.74 N ATOM 1071 CA ARG B 8 17.525 2.637 -1.776 1.00 0.74 C ATOM 1072 C ARG B 8 18.159 2.283 -3.110 1.00 0.82 C ATOM 1073 O ARG B 8 19.318 1.866 -3.173 1.00 1.15 O ATOM 1074 CB ARG B 8 17.939 4.053 -1.373 1.00 0.81 C ATOM 1075 CG ARG B 8 17.089 4.657 -0.267 1.00 0.86 C ATOM 1076 CD ARG B 8 15.799 5.242 -0.817 1.00 1.10 C ATOM 1077 NE ARG B 8 14.964 5.825 0.234 1.00 1.72 N ATOM 1078 CZ ARG B 8 14.013 6.732 0.013 1.00 2.18 C ATOM 1079 NH1 ARG B 8 13.799 7.197 -1.212 1.00 2.19 N ATOM 1080 NH2 ARG B 8 13.287 7.182 1.025 1.00 3.09 N ATOM 0 H ARG B 8 18.467 2.098 0.013 1.00 0.74 H new ATOM 0 HA ARG B 8 16.440 2.593 -1.875 1.00 0.74 H new ATOM 0 HB2 ARG B 8 18.980 4.037 -1.049 1.00 0.81 H new ATOM 0 HB3 ARG B 8 17.887 4.698 -2.250 1.00 0.81 H new ATOM 0 HG2 ARG B 8 16.857 3.892 0.474 1.00 0.86 H new ATOM 0 HG3 ARG B 8 17.655 5.436 0.245 1.00 0.86 H new ATOM 0 HD2 ARG B 8 16.035 6.007 -1.557 1.00 1.10 H new ATOM 0 HD3 ARG B 8 15.239 4.462 -1.333 1.00 1.10 H new ATOM 0 HE ARG B 8 15.119 5.518 1.194 1.00 1.72 H new ATOM 0 HH11 ARG B 8 14.364 6.860 -1.991 1.00 2.19 H new ATOM 0 HH12 ARG B 8 13.069 7.891 -1.374 1.00 2.19 H new ATOM 0 HH21 ARG B 8 13.457 6.834 1.969 1.00 3.09 H new ATOM 0 HH22 ARG B 8 12.558 7.876 0.861 1.00 3.09 H new ATOM 1094 N LYS B 9 17.392 2.456 -4.168 1.00 0.77 N ATOM 1095 CA LYS B 9 17.849 2.137 -5.506 1.00 0.91 C ATOM 1096 C LYS B 9 18.364 3.384 -6.205 1.00 1.52 C ATOM 1097 O LYS B 9 19.571 3.601 -6.287 1.00 1.96 O ATOM 1098 CB LYS B 9 16.723 1.508 -6.328 1.00 1.00 C ATOM 1099 CG LYS B 9 16.385 0.083 -5.922 1.00 1.52 C ATOM 1100 CD LYS B 9 15.238 -0.473 -6.752 1.00 2.37 C ATOM 1101 CE LYS B 9 15.546 -0.429 -8.242 1.00 3.15 C ATOM 1102 NZ LYS B 9 14.381 -0.849 -9.062 1.00 3.53 N ATOM 0 H LYS B 9 16.440 2.819 -4.125 1.00 0.77 H new ATOM 0 HA LYS B 9 18.663 1.418 -5.421 1.00 0.91 H new ATOM 0 HB2 LYS B 9 15.829 2.124 -6.232 1.00 1.00 H new ATOM 0 HB3 LYS B 9 17.006 1.518 -7.381 1.00 1.00 H new ATOM 0 HG2 LYS B 9 17.264 -0.550 -6.043 1.00 1.52 H new ATOM 0 HG3 LYS B 9 16.117 0.058 -4.866 1.00 1.52 H new ATOM 0 HD2 LYS B 9 15.038 -1.502 -6.452 1.00 2.37 H new ATOM 0 HD3 LYS B 9 14.333 0.100 -6.551 1.00 2.37 H new ATOM 0 HE2 LYS B 9 15.841 0.582 -8.522 1.00 3.15 H new ATOM 0 HE3 LYS B 9 16.394 -1.079 -8.457 1.00 3.15 H new ATOM 0 HZ1 LYS B 9 14.609 -0.740 -10.071 1.00 3.53 H new ATOM 0 HZ2 LYS B 9 14.157 -1.845 -8.863 1.00 3.53 H new ATOM 0 HZ3 LYS B 9 13.559 -0.256 -8.827 1.00 3.53 H new ATOM 1116 N SER B 10 17.434 4.204 -6.678 1.00 2.30 N ATOM 1117 CA SER B 10 17.748 5.414 -7.421 1.00 3.23 C ATOM 1118 C SER B 10 18.737 5.120 -8.549 1.00 3.61 C ATOM 1119 O SER B 10 18.337 4.456 -9.529 1.00 4.10 O ATOM 1120 CB SER B 10 18.300 6.478 -6.471 1.00 4.17 C ATOM 1121 OG SER B 10 17.426 6.674 -5.366 1.00 4.45 O ATOM 1122 OXT SER B 10 19.905 5.552 -8.460 1.00 3.81 O ATOM 0 H SER B 10 16.434 4.045 -6.555 1.00 2.30 H new ATOM 0 HA SER B 10 16.833 5.794 -7.876 1.00 3.23 H new ATOM 0 HB2 SER B 10 19.284 6.176 -6.112 1.00 4.17 H new ATOM 0 HB3 SER B 10 18.431 7.418 -7.008 1.00 4.17 H new ATOM 0 HG SER B 10 16.520 6.392 -5.611 1.00 4.45 H new TER 1128 SER B 10 HETATM 1129 ZN ZN A 355 7.883 5.732 -4.493 1.00 0.18 ZN HETATM 1130 ZN ZN A 356 -3.720 -4.198 -1.990 1.00 0.71 ZN