USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 432 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= -1.12 (180deg=-3.09!) USER MOD Single : A 15 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.28) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= 1.32 (180deg=0.722) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= 0.772 (180deg=0.263) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 32 ASN : amide:sc= -3.12 K(o=-3.1,f=-5.3!) USER MOD Single : A 33 THR OG1 : rot 121:sc= 0.691 USER MOD Single : A 39 ASN : amide:sc= -0.688 K(o=-0.69,f=-4.8!) USER MOD Single : A 42 CYS SG : rot 128:sc= -3.77! USER MOD Single : A 51 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : A 52 SER OG : rot 70:sc= 1.23 USER MOD Single : B 5 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.23) USER MOD Single : B 6 THR OG1 : rot 48:sc= 0.268 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.901 3.655 -2.883 1.00 0.00 N ATOM 26 CA PHE A 3 7.171 4.961 -3.509 1.00 0.00 C ATOM 27 C PHE A 3 8.562 4.961 -4.157 1.00 0.00 C ATOM 28 O PHE A 3 9.525 4.434 -3.583 1.00 0.00 O ATOM 29 CB PHE A 3 7.077 6.086 -2.445 1.00 0.00 C ATOM 30 CG PHE A 3 5.759 6.106 -1.674 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.623 6.665 -2.236 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.658 5.557 -0.396 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.431 6.680 -1.553 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.459 5.575 0.288 1.00 0.00 C ATOM 35 CZ PHE A 3 3.347 6.136 -0.291 1.00 0.00 C ATOM 0 HA PHE A 3 6.426 5.142 -4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.898 5.971 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.212 7.049 -2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.675 7.095 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.528 5.112 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.556 7.120 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.395 5.148 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.408 6.150 0.243 1.00 0.00 H new ATOM 45 N VAL A 4 8.654 5.541 -5.364 1.00 0.00 N ATOM 46 CA VAL A 4 9.925 5.639 -6.094 1.00 0.00 C ATOM 47 C VAL A 4 10.760 6.820 -5.562 1.00 0.00 C ATOM 48 O VAL A 4 10.382 7.994 -5.682 1.00 0.00 O ATOM 49 CB VAL A 4 9.725 5.738 -7.662 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.828 6.931 -8.092 1.00 0.00 C ATOM 51 CG2 VAL A 4 11.096 5.762 -8.398 1.00 0.00 C ATOM 0 H VAL A 4 7.859 5.950 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 4 10.471 4.713 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 4 9.188 4.838 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.732 6.941 -9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.841 6.825 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.281 7.865 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.931 5.830 -9.473 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.673 6.624 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.646 4.848 -8.173 1.00 0.00 H new ATOM 61 N VAL A 5 11.863 6.477 -4.894 1.00 0.00 N ATOM 62 CA VAL A 5 12.904 7.445 -4.532 1.00 0.00 C ATOM 63 C VAL A 5 13.821 7.668 -5.755 1.00 0.00 C ATOM 64 O VAL A 5 14.207 6.714 -6.429 1.00 0.00 O ATOM 65 CB VAL A 5 13.713 7.001 -3.238 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.053 5.491 -3.225 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.990 7.857 -3.030 1.00 0.00 C ATOM 0 H VAL A 5 12.061 5.524 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 5 12.436 8.392 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 5 13.044 7.182 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.605 5.250 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.131 4.910 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.662 5.248 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.512 7.520 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.645 7.749 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.711 8.904 -2.914 1.00 0.00 H new ATOM 77 N GLU A 6 14.074 8.946 -6.075 1.00 0.00 N ATOM 78 CA GLU A 6 15.016 9.345 -7.130 1.00 0.00 C ATOM 79 C GLU A 6 16.462 9.160 -6.654 1.00 0.00 C ATOM 80 O GLU A 6 17.286 8.576 -7.348 1.00 0.00 O ATOM 81 CB GLU A 6 14.796 10.829 -7.526 1.00 0.00 C ATOM 82 CG GLU A 6 15.709 11.336 -8.668 1.00 0.00 C ATOM 83 CD GLU A 6 15.498 12.820 -9.007 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.630 13.138 -9.857 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.201 13.681 -8.430 1.00 0.00 O ATOM 0 H GLU A 6 13.628 9.735 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 6 14.836 8.711 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.756 10.961 -7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.956 11.453 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.750 11.180 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.527 10.738 -9.561 1.00 0.00 H new ATOM 92 N LYS A 7 16.765 9.679 -5.460 1.00 0.00 N ATOM 93 CA LYS A 7 18.142 9.714 -4.946 1.00 0.00 C ATOM 94 C LYS A 7 18.157 9.932 -3.434 1.00 0.00 C ATOM 95 O LYS A 7 17.164 10.364 -2.837 1.00 0.00 O ATOM 96 CB LYS A 7 18.953 10.838 -5.660 1.00 0.00 C ATOM 97 CG LYS A 7 18.349 12.251 -5.516 1.00 0.00 C ATOM 98 CD LYS A 7 19.161 13.354 -6.238 1.00 0.00 C ATOM 99 CE LYS A 7 20.481 13.741 -5.529 1.00 0.00 C ATOM 100 NZ LYS A 7 21.495 12.652 -5.510 1.00 0.00 N ATOM 0 H LYS A 7 16.074 10.083 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 7 18.608 8.751 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.967 10.847 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.031 10.596 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.333 12.244 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.278 12.499 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.391 13.017 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.539 14.244 -6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.907 14.613 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.259 14.036 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.448 13.063 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.413 12.117 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.334 12.014 -6.315 1.00 0.00 H new ATOM 114 N VAL A 8 19.302 9.618 -2.831 1.00 0.00 N ATOM 115 CA VAL A 8 19.572 9.910 -1.423 1.00 0.00 C ATOM 116 C VAL A 8 20.214 11.303 -1.332 1.00 0.00 C ATOM 117 O VAL A 8 21.028 11.680 -2.185 1.00 0.00 O ATOM 118 CB VAL A 8 20.518 8.844 -0.776 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.765 9.153 0.720 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.982 7.398 -0.968 1.00 0.00 C ATOM 0 H VAL A 8 20.074 9.151 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 8 18.631 9.881 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 8 21.474 8.904 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.425 8.396 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.229 10.135 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.815 9.146 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.669 6.691 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.000 7.309 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.900 7.179 -2.033 1.00 0.00 H new ATOM 130 N LEU A 9 19.830 12.054 -0.303 1.00 0.00 N ATOM 131 CA LEU A 9 20.282 13.428 -0.080 1.00 0.00 C ATOM 132 C LEU A 9 21.303 13.463 1.064 1.00 0.00 C ATOM 133 O LEU A 9 22.387 14.041 0.921 1.00 0.00 O ATOM 134 CB LEU A 9 19.059 14.325 0.224 1.00 0.00 C ATOM 135 CG LEU A 9 17.966 14.351 -0.898 1.00 0.00 C ATOM 136 CD1 LEU A 9 16.714 15.126 -0.449 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.539 14.916 -2.221 1.00 0.00 C ATOM 0 H LEU A 9 19.185 11.720 0.413 1.00 0.00 H new ATOM 0 HA LEU A 9 20.774 13.809 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.599 13.985 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.407 15.344 0.396 1.00 0.00 H new ATOM 0 HG LEU A 9 17.659 13.322 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.977 15.124 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.289 14.650 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.988 16.154 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.759 14.922 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.895 15.933 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.367 14.291 -2.555 1.00 0.00 H new ATOM 149 N ASP A 10 20.964 12.790 2.184 1.00 0.00 N ATOM 150 CA ASP A 10 21.784 12.813 3.412 1.00 0.00 C ATOM 151 C ASP A 10 21.719 11.435 4.101 1.00 0.00 C ATOM 152 O ASP A 10 20.857 10.615 3.773 1.00 0.00 O ATOM 153 CB ASP A 10 21.312 13.957 4.358 1.00 0.00 C ATOM 154 CG ASP A 10 22.349 14.307 5.448 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.251 15.128 5.181 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.286 13.744 6.561 1.00 0.00 O ATOM 0 H ASP A 10 20.121 12.220 2.262 1.00 0.00 H new ATOM 0 HA ASP A 10 22.824 13.015 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.102 14.847 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.377 13.664 4.835 1.00 0.00 H new ATOM 161 N ARG A 11 22.647 11.192 5.034 1.00 0.00 N ATOM 162 CA ARG A 11 22.805 9.905 5.733 1.00 0.00 C ATOM 163 C ARG A 11 23.089 10.160 7.216 1.00 0.00 C ATOM 164 O ARG A 11 24.018 10.897 7.541 1.00 0.00 O ATOM 165 CB ARG A 11 23.985 9.140 5.097 1.00 0.00 C ATOM 166 CG ARG A 11 24.312 7.758 5.707 1.00 0.00 C ATOM 167 CD ARG A 11 25.567 7.157 5.057 1.00 0.00 C ATOM 168 NE ARG A 11 25.845 5.777 5.487 1.00 0.00 N ATOM 169 CZ ARG A 11 27.070 5.227 5.566 1.00 0.00 C ATOM 170 NH1 ARG A 11 28.160 5.952 5.355 1.00 0.00 N ATOM 171 NH2 ARG A 11 27.194 3.948 5.859 1.00 0.00 N ATOM 0 H ARG A 11 23.323 11.895 5.332 1.00 0.00 H new ATOM 0 HA ARG A 11 21.893 9.315 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.773 9.005 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.876 9.765 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.466 7.857 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.467 7.085 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.450 7.175 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.426 7.784 5.295 1.00 0.00 H new ATOM 0 HE ARG A 11 25.049 5.194 5.744 1.00 0.00 H new ATOM 0 HH11 ARG A 11 28.077 6.943 5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 11 29.081 5.519 5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.363 3.380 6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.121 3.526 5.920 1.00 0.00 H new ATOM 185 N ARG A 12 22.294 9.545 8.102 1.00 0.00 N ATOM 186 CA ARG A 12 22.473 9.634 9.567 1.00 0.00 C ATOM 187 C ARG A 12 22.536 8.220 10.173 1.00 0.00 C ATOM 188 O ARG A 12 22.160 7.238 9.522 1.00 0.00 O ATOM 189 CB ARG A 12 21.314 10.450 10.212 1.00 0.00 C ATOM 190 CG ARG A 12 19.963 9.705 10.299 1.00 0.00 C ATOM 191 CD ARG A 12 18.815 10.594 10.805 1.00 0.00 C ATOM 192 NE ARG A 12 19.112 11.235 12.097 1.00 0.00 N ATOM 193 CZ ARG A 12 18.358 12.174 12.682 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.223 12.583 12.134 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.754 12.693 13.830 1.00 0.00 N ATOM 0 H ARG A 12 21.501 8.966 7.825 1.00 0.00 H new ATOM 0 HA ARG A 12 23.410 10.151 9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.614 10.747 11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.171 11.366 9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.706 9.315 9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.070 8.847 10.963 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.605 11.364 10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.912 9.991 10.903 1.00 0.00 H new ATOM 0 HE ARG A 12 19.958 10.941 12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.909 12.181 11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.663 13.300 12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.624 12.378 14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.190 13.409 14.287 1.00 0.00 H new ATOM 209 N VAL A 13 23.018 8.127 11.423 1.00 0.00 N ATOM 210 CA VAL A 13 23.011 6.878 12.208 1.00 0.00 C ATOM 211 C VAL A 13 22.309 7.147 13.549 1.00 0.00 C ATOM 212 O VAL A 13 22.767 7.978 14.340 1.00 0.00 O ATOM 213 CB VAL A 13 24.461 6.306 12.449 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.437 5.043 13.360 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.173 5.998 11.107 1.00 0.00 C ATOM 0 H VAL A 13 23.426 8.918 11.921 1.00 0.00 H new ATOM 0 HA VAL A 13 22.473 6.119 11.640 1.00 0.00 H new ATOM 0 HB VAL A 13 25.029 7.079 12.967 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.454 4.678 13.503 1.00 0.00 H new ATOM 0 HG12 VAL A 13 24.004 5.300 14.327 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.836 4.266 12.889 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.170 5.605 11.306 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.596 5.259 10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.254 6.913 10.520 1.00 0.00 H new ATOM 225 N VAL A 14 21.174 6.461 13.771 1.00 0.00 N ATOM 226 CA VAL A 14 20.370 6.571 15.000 1.00 0.00 C ATOM 227 C VAL A 14 20.206 5.180 15.634 1.00 0.00 C ATOM 228 O VAL A 14 19.648 4.274 14.997 1.00 0.00 O ATOM 229 CB VAL A 14 18.948 7.189 14.709 1.00 0.00 C ATOM 230 CG1 VAL A 14 18.074 7.255 15.991 1.00 0.00 C ATOM 231 CG2 VAL A 14 19.071 8.579 14.046 1.00 0.00 C ATOM 0 H VAL A 14 20.785 5.806 13.093 1.00 0.00 H new ATOM 0 HA VAL A 14 20.893 7.236 15.687 1.00 0.00 H new ATOM 0 HB VAL A 14 18.443 6.524 14.008 1.00 0.00 H new ATOM 0 HG11 VAL A 14 17.103 7.687 15.748 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.935 6.250 16.389 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.570 7.875 16.738 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.076 8.981 13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.614 9.252 14.710 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.610 8.486 13.103 1.00 0.00 H new ATOM 241 N ASN A 15 20.714 5.032 16.884 1.00 0.00 N ATOM 242 CA ASN A 15 20.581 3.807 17.714 1.00 0.00 C ATOM 243 C ASN A 15 21.266 2.589 17.053 1.00 0.00 C ATOM 244 O ASN A 15 20.823 1.447 17.204 1.00 0.00 O ATOM 245 CB ASN A 15 19.081 3.521 18.021 1.00 0.00 C ATOM 246 CG ASN A 15 18.388 4.649 18.791 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.997 5.321 19.626 1.00 0.00 O ATOM 248 ND2 ASN A 15 17.123 4.896 18.493 1.00 0.00 N ATOM 0 H ASN A 15 21.236 5.773 17.351 1.00 0.00 H new ATOM 0 HA ASN A 15 21.096 3.983 18.658 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.552 3.354 17.083 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.006 2.599 18.598 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.629 5.658 18.958 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.642 4.325 17.798 1.00 0.00 H new ATOM 255 N GLY A 16 22.357 2.860 16.324 1.00 0.00 N ATOM 256 CA GLY A 16 23.093 1.821 15.586 1.00 0.00 C ATOM 257 C GLY A 16 22.623 1.658 14.142 1.00 0.00 C ATOM 258 O GLY A 16 23.397 1.246 13.279 1.00 0.00 O ATOM 0 H GLY A 16 22.752 3.795 16.229 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.155 2.066 15.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.984 0.869 16.106 1.00 0.00 H new ATOM 262 N LYS A 17 21.345 2.001 13.886 1.00 0.00 N ATOM 263 CA LYS A 17 20.707 1.868 12.570 1.00 0.00 C ATOM 264 C LYS A 17 21.131 3.040 11.675 1.00 0.00 C ATOM 265 O LYS A 17 21.408 4.131 12.160 1.00 0.00 O ATOM 266 CB LYS A 17 19.152 1.795 12.746 1.00 0.00 C ATOM 267 CG LYS A 17 18.327 2.673 11.789 1.00 0.00 C ATOM 268 CD LYS A 17 16.812 2.600 12.058 1.00 0.00 C ATOM 269 CE LYS A 17 16.463 2.999 13.495 1.00 0.00 C ATOM 270 NZ LYS A 17 16.917 4.372 13.839 1.00 0.00 N ATOM 0 H LYS A 17 20.723 2.382 14.599 1.00 0.00 H new ATOM 0 HA LYS A 17 21.029 0.946 12.085 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.839 0.759 12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.908 2.078 13.770 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.657 3.708 11.879 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.523 2.365 10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.289 3.256 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.459 1.587 11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.384 2.933 13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.917 2.288 14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.327 4.751 14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.910 4.342 14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.833 4.985 13.003 1.00 0.00 H new ATOM 284 N VAL A 18 21.126 2.801 10.357 1.00 0.00 N ATOM 285 CA VAL A 18 21.586 3.779 9.351 1.00 0.00 C ATOM 286 C VAL A 18 20.387 4.213 8.486 1.00 0.00 C ATOM 287 O VAL A 18 19.811 3.396 7.753 1.00 0.00 O ATOM 288 CB VAL A 18 22.731 3.199 8.441 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.250 4.267 7.439 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.891 2.631 9.298 1.00 0.00 C ATOM 0 H VAL A 18 20.802 1.922 9.953 1.00 0.00 H new ATOM 0 HA VAL A 18 22.001 4.639 9.877 1.00 0.00 H new ATOM 0 HB VAL A 18 22.309 2.378 7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 18 24.040 3.836 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.431 4.594 6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.644 5.121 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.668 2.237 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.307 3.425 9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.514 1.831 9.936 1.00 0.00 H new ATOM 300 N GLU A 19 20.008 5.497 8.605 1.00 0.00 N ATOM 301 CA GLU A 19 18.885 6.096 7.863 1.00 0.00 C ATOM 302 C GLU A 19 19.403 7.018 6.758 1.00 0.00 C ATOM 303 O GLU A 19 20.505 7.560 6.852 1.00 0.00 O ATOM 304 CB GLU A 19 17.953 6.867 8.826 1.00 0.00 C ATOM 305 CG GLU A 19 17.324 5.984 9.928 1.00 0.00 C ATOM 306 CD GLU A 19 16.419 6.747 10.909 1.00 0.00 C ATOM 307 OE1 GLU A 19 15.413 7.329 10.459 1.00 0.00 O ATOM 308 OE2 GLU A 19 16.674 6.722 12.133 1.00 0.00 O ATOM 0 H GLU A 19 20.478 6.156 9.226 1.00 0.00 H new ATOM 0 HA GLU A 19 18.311 5.295 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.518 7.671 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.155 7.334 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.742 5.193 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.123 5.500 10.490 1.00 0.00 H new ATOM 315 N TYR A 20 18.593 7.177 5.711 1.00 0.00 N ATOM 316 CA TYR A 20 18.929 7.962 4.517 1.00 0.00 C ATOM 317 C TYR A 20 17.752 8.897 4.186 1.00 0.00 C ATOM 318 O TYR A 20 16.616 8.434 4.076 1.00 0.00 O ATOM 319 CB TYR A 20 19.218 7.010 3.316 1.00 0.00 C ATOM 320 CG TYR A 20 20.468 6.118 3.480 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.407 4.890 4.145 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.713 6.516 2.986 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.532 4.106 4.299 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.835 5.729 3.138 1.00 0.00 C ATOM 325 CZ TYR A 20 22.740 4.530 3.801 1.00 0.00 C ATOM 326 OH TYR A 20 23.860 3.747 3.967 1.00 0.00 O ATOM 0 H TYR A 20 17.665 6.756 5.666 1.00 0.00 H new ATOM 0 HA TYR A 20 19.823 8.557 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.350 6.369 3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.334 7.611 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.463 4.549 4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.799 7.462 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.463 3.158 4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.784 6.054 2.738 1.00 0.00 H new ATOM 0 HH TYR A 20 24.632 4.189 3.556 1.00 0.00 H new ATOM 336 N PHE A 21 18.021 10.210 4.042 1.00 0.00 N ATOM 337 CA PHE A 21 16.992 11.203 3.686 1.00 0.00 C ATOM 338 C PHE A 21 16.722 11.086 2.182 1.00 0.00 C ATOM 339 O PHE A 21 17.569 11.452 1.368 1.00 0.00 O ATOM 340 CB PHE A 21 17.484 12.626 4.073 1.00 0.00 C ATOM 341 CG PHE A 21 16.410 13.705 4.051 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.327 13.642 4.923 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.486 14.784 3.173 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.353 14.619 4.919 1.00 0.00 C ATOM 345 CE2 PHE A 21 15.512 15.761 3.170 1.00 0.00 C ATOM 346 CZ PHE A 21 14.445 15.678 4.042 1.00 0.00 C ATOM 0 H PHE A 21 18.951 10.608 4.169 1.00 0.00 H new ATOM 0 HA PHE A 21 16.065 11.020 4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.917 12.585 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.283 12.916 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.248 12.815 5.614 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.317 14.856 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.519 14.554 5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.584 16.592 2.484 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.683 16.443 4.037 1.00 0.00 H new ATOM 356 N LEU A 22 15.561 10.534 1.827 1.00 0.00 N ATOM 357 CA LEU A 22 15.251 10.137 0.451 1.00 0.00 C ATOM 358 C LEU A 22 14.449 11.212 -0.281 1.00 0.00 C ATOM 359 O LEU A 22 13.378 11.603 0.180 1.00 0.00 O ATOM 360 CB LEU A 22 14.445 8.817 0.451 1.00 0.00 C ATOM 361 CG LEU A 22 15.155 7.566 1.048 1.00 0.00 C ATOM 362 CD1 LEU A 22 14.326 6.304 0.786 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.593 7.402 0.515 1.00 0.00 C ATOM 0 H LEU A 22 14.806 10.349 2.487 1.00 0.00 H new ATOM 0 HA LEU A 22 16.198 10.000 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.522 8.982 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.163 8.590 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 22 15.232 7.717 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.836 5.439 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.345 6.410 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.206 6.164 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.047 6.516 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.569 7.292 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.181 8.282 0.777 1.00 0.00 H new ATOM 375 N LYS A 23 14.985 11.673 -1.424 1.00 0.00 N ATOM 376 CA LYS A 23 14.225 12.459 -2.397 1.00 0.00 C ATOM 377 C LYS A 23 13.265 11.522 -3.136 1.00 0.00 C ATOM 378 O LYS A 23 13.693 10.718 -3.958 1.00 0.00 O ATOM 379 CB LYS A 23 15.169 13.205 -3.400 1.00 0.00 C ATOM 380 CG LYS A 23 14.470 13.829 -4.642 1.00 0.00 C ATOM 381 CD LYS A 23 13.260 14.730 -4.284 1.00 0.00 C ATOM 382 CE LYS A 23 12.453 15.167 -5.517 1.00 0.00 C ATOM 383 NZ LYS A 23 11.238 15.930 -5.132 1.00 0.00 N ATOM 0 H LYS A 23 15.955 11.509 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 23 13.658 13.229 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.689 13.997 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.928 12.504 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.198 14.417 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.134 13.028 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.604 14.193 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.616 15.615 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.079 15.781 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.164 14.288 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.102 16.722 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.409 15.303 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.351 16.299 -4.166 1.00 0.00 H new ATOM 397 N TRP A 24 11.974 11.619 -2.804 1.00 0.00 N ATOM 398 CA TRP A 24 10.906 10.895 -3.500 1.00 0.00 C ATOM 399 C TRP A 24 10.585 11.630 -4.811 1.00 0.00 C ATOM 400 O TRP A 24 10.160 12.792 -4.783 1.00 0.00 O ATOM 401 CB TRP A 24 9.658 10.785 -2.594 1.00 0.00 C ATOM 402 CG TRP A 24 9.954 10.160 -1.245 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.057 10.806 -0.045 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.206 8.773 -0.965 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.318 9.913 0.955 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.419 8.659 0.419 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.254 7.615 -1.742 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.684 7.445 1.037 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.515 6.405 -1.127 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.728 6.328 0.251 1.00 0.00 C ATOM 0 H TRP A 24 11.639 12.206 -2.040 1.00 0.00 H new ATOM 0 HA TRP A 24 11.230 9.881 -3.734 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.238 11.779 -2.442 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.898 10.192 -3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.948 11.872 0.093 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.421 10.144 1.943 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.090 7.663 -2.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.850 7.385 2.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.555 5.504 -1.722 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.931 5.369 0.704 1.00 0.00 H new ATOM 421 N LYS A 25 10.816 10.947 -5.946 1.00 0.00 N ATOM 422 CA LYS A 25 10.763 11.550 -7.290 1.00 0.00 C ATOM 423 C LYS A 25 9.361 12.102 -7.631 1.00 0.00 C ATOM 424 O LYS A 25 9.236 13.190 -8.190 1.00 0.00 O ATOM 425 CB LYS A 25 11.208 10.510 -8.349 1.00 0.00 C ATOM 426 CG LYS A 25 11.321 11.067 -9.789 1.00 0.00 C ATOM 427 CD LYS A 25 11.890 10.045 -10.800 1.00 0.00 C ATOM 428 CE LYS A 25 11.059 8.753 -10.905 1.00 0.00 C ATOM 429 NZ LYS A 25 11.527 7.873 -12.010 1.00 0.00 N ATOM 0 H LYS A 25 11.046 9.953 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 25 11.448 12.398 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.175 10.101 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.498 9.683 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.335 11.388 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.958 11.951 -9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.946 10.512 -11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.909 9.789 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.114 8.210 -9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.012 9.009 -11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.939 7.016 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.450 8.381 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.519 7.607 -11.845 1.00 0.00 H new ATOM 443 N GLY A 26 8.316 11.344 -7.255 1.00 0.00 N ATOM 444 CA GLY A 26 6.927 11.712 -7.573 1.00 0.00 C ATOM 445 C GLY A 26 6.290 12.688 -6.575 1.00 0.00 C ATOM 446 O GLY A 26 5.088 12.966 -6.664 1.00 0.00 O ATOM 0 H GLY A 26 8.408 10.474 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.900 12.158 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.323 10.806 -7.613 1.00 0.00 H new ATOM 450 N PHE A 27 7.082 13.191 -5.607 1.00 0.00 N ATOM 451 CA PHE A 27 6.585 14.040 -4.494 1.00 0.00 C ATOM 452 C PHE A 27 7.455 15.293 -4.313 1.00 0.00 C ATOM 453 O PHE A 27 8.521 15.425 -4.922 1.00 0.00 O ATOM 454 CB PHE A 27 6.556 13.225 -3.170 1.00 0.00 C ATOM 455 CG PHE A 27 5.582 12.052 -3.185 1.00 0.00 C ATOM 456 CD1 PHE A 27 5.965 10.807 -3.681 1.00 0.00 C ATOM 457 CD2 PHE A 27 4.278 12.199 -2.717 1.00 0.00 C ATOM 458 CE1 PHE A 27 5.080 9.754 -3.701 1.00 0.00 C ATOM 459 CE2 PHE A 27 3.394 11.139 -2.734 1.00 0.00 C ATOM 460 CZ PHE A 27 3.794 9.919 -3.232 1.00 0.00 C ATOM 0 H PHE A 27 8.087 13.022 -5.571 1.00 0.00 H new ATOM 0 HA PHE A 27 5.574 14.361 -4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.558 12.849 -2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.292 13.893 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.969 10.667 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.954 13.156 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.394 8.795 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.390 11.266 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.100 9.091 -3.255 1.00 0.00 H new ATOM 470 N THR A 28 6.963 16.209 -3.459 1.00 0.00 N ATOM 471 CA THR A 28 7.656 17.461 -3.127 1.00 0.00 C ATOM 472 C THR A 28 8.880 17.208 -2.216 1.00 0.00 C ATOM 473 O THR A 28 8.991 16.158 -1.565 1.00 0.00 O ATOM 474 CB THR A 28 6.673 18.469 -2.447 1.00 0.00 C ATOM 475 OG1 THR A 28 6.115 17.890 -1.254 1.00 0.00 O ATOM 476 CG2 THR A 28 5.523 18.889 -3.390 1.00 0.00 C ATOM 0 H THR A 28 6.070 16.098 -2.979 1.00 0.00 H new ATOM 0 HA THR A 28 8.017 17.895 -4.059 1.00 0.00 H new ATOM 0 HB THR A 28 7.251 19.359 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.502 18.530 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.866 19.589 -2.874 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.937 19.367 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.953 18.007 -3.684 1.00 0.00 H new ATOM 484 N ASP A 29 9.793 18.191 -2.178 1.00 0.00 N ATOM 485 CA ASP A 29 11.045 18.096 -1.415 1.00 0.00 C ATOM 486 C ASP A 29 10.791 18.211 0.086 1.00 0.00 C ATOM 487 O ASP A 29 11.527 17.642 0.894 1.00 0.00 O ATOM 488 CB ASP A 29 12.035 19.177 -1.882 1.00 0.00 C ATOM 489 CG ASP A 29 12.313 19.082 -3.385 1.00 0.00 C ATOM 490 OD1 ASP A 29 12.945 18.098 -3.818 1.00 0.00 O ATOM 491 OD2 ASP A 29 11.859 19.963 -4.151 1.00 0.00 O ATOM 0 H ASP A 29 9.683 19.074 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 29 11.482 17.115 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.634 20.163 -1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.971 19.075 -1.332 1.00 0.00 H new ATOM 496 N ALA A 30 9.731 18.949 0.451 1.00 0.00 N ATOM 497 CA ALA A 30 9.281 19.073 1.854 1.00 0.00 C ATOM 498 C ALA A 30 8.684 17.745 2.373 1.00 0.00 C ATOM 499 O ALA A 30 8.648 17.498 3.587 1.00 0.00 O ATOM 500 CB ALA A 30 8.266 20.222 1.981 1.00 0.00 C ATOM 0 H ALA A 30 9.162 19.476 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 30 10.148 19.302 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.940 20.306 3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.734 21.156 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.405 20.018 1.345 1.00 0.00 H new ATOM 506 N ASP A 31 8.233 16.889 1.435 1.00 0.00 N ATOM 507 CA ASP A 31 7.604 15.591 1.750 1.00 0.00 C ATOM 508 C ASP A 31 8.654 14.451 1.772 1.00 0.00 C ATOM 509 O ASP A 31 8.311 13.293 2.038 1.00 0.00 O ATOM 510 CB ASP A 31 6.470 15.312 0.720 1.00 0.00 C ATOM 511 CG ASP A 31 5.458 14.233 1.153 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.981 14.277 2.310 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.113 13.357 0.343 1.00 0.00 O ATOM 0 H ASP A 31 8.295 17.079 0.435 1.00 0.00 H new ATOM 0 HA ASP A 31 7.169 15.632 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.932 16.241 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.922 15.009 -0.224 1.00 0.00 H new ATOM 518 N ASN A 32 9.936 14.788 1.488 1.00 0.00 N ATOM 519 CA ASN A 32 11.066 13.837 1.610 1.00 0.00 C ATOM 520 C ASN A 32 11.271 13.422 3.079 1.00 0.00 C ATOM 521 O ASN A 32 11.174 14.266 3.977 1.00 0.00 O ATOM 522 CB ASN A 32 12.369 14.453 1.041 1.00 0.00 C ATOM 523 CG ASN A 32 12.299 14.763 -0.457 1.00 0.00 C ATOM 524 OD1 ASN A 32 11.511 14.170 -1.204 1.00 0.00 O ATOM 525 ND2 ASN A 32 13.161 15.658 -0.918 1.00 0.00 N ATOM 0 H ASN A 32 10.213 15.717 1.171 1.00 0.00 H new ATOM 0 HA ASN A 32 10.822 12.948 1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.593 15.372 1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.195 13.766 1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.187 15.875 -1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.798 16.130 -0.276 1.00 0.00 H new ATOM 532 N THR A 33 11.560 12.123 3.318 1.00 0.00 N ATOM 533 CA THR A 33 11.591 11.533 4.685 1.00 0.00 C ATOM 534 C THR A 33 12.871 10.705 4.932 1.00 0.00 C ATOM 535 O THR A 33 13.502 10.224 3.988 1.00 0.00 O ATOM 536 CB THR A 33 10.335 10.616 4.922 1.00 0.00 C ATOM 537 OG1 THR A 33 10.228 9.638 3.874 1.00 0.00 O ATOM 538 CG2 THR A 33 9.026 11.420 4.997 1.00 0.00 C ATOM 0 H THR A 33 11.777 11.455 2.579 1.00 0.00 H new ATOM 0 HA THR A 33 11.580 12.368 5.386 1.00 0.00 H new ATOM 0 HB THR A 33 10.482 10.124 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.257 8.738 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.190 10.740 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.083 12.131 5.821 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.876 11.959 4.062 1.00 0.00 H new ATOM 546 N TRP A 34 13.244 10.563 6.223 1.00 0.00 N ATOM 547 CA TRP A 34 14.333 9.671 6.663 1.00 0.00 C ATOM 548 C TRP A 34 13.838 8.228 6.665 1.00 0.00 C ATOM 549 O TRP A 34 12.949 7.877 7.458 1.00 0.00 O ATOM 550 CB TRP A 34 14.812 10.025 8.092 1.00 0.00 C ATOM 551 CG TRP A 34 15.484 11.361 8.206 1.00 0.00 C ATOM 552 CD1 TRP A 34 14.939 12.531 8.644 1.00 0.00 C ATOM 553 CD2 TRP A 34 16.840 11.652 7.868 1.00 0.00 C ATOM 554 NE1 TRP A 34 15.877 13.519 8.613 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.051 13.010 8.133 1.00 0.00 C ATOM 556 CE3 TRP A 34 17.898 10.883 7.362 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.275 13.623 7.919 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.115 11.493 7.147 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.291 12.852 7.422 1.00 0.00 C ATOM 0 H TRP A 34 12.796 11.066 6.989 1.00 0.00 H new ATOM 0 HA TRP A 34 15.166 9.795 5.971 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.955 10.004 8.765 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.503 9.254 8.432 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.916 12.656 8.967 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.727 14.486 8.902 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.762 9.834 7.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.422 14.671 8.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 19.942 10.915 6.762 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.254 13.306 7.238 1.00 0.00 H new ATOM 570 N GLU A 35 14.393 7.405 5.783 1.00 0.00 N ATOM 571 CA GLU A 35 14.073 5.982 5.715 1.00 0.00 C ATOM 572 C GLU A 35 15.344 5.138 5.902 1.00 0.00 C ATOM 573 O GLU A 35 16.343 5.380 5.219 1.00 0.00 O ATOM 574 CB GLU A 35 13.394 5.640 4.374 1.00 0.00 C ATOM 575 CG GLU A 35 12.022 6.294 4.130 1.00 0.00 C ATOM 576 CD GLU A 35 11.056 6.158 5.326 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.970 5.055 5.911 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.372 7.141 5.688 1.00 0.00 O ATOM 0 H GLU A 35 15.080 7.706 5.092 1.00 0.00 H new ATOM 0 HA GLU A 35 13.377 5.748 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.063 5.932 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.275 4.558 4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.166 7.351 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.564 5.843 3.250 1.00 0.00 H new ATOM 585 N PRO A 36 15.325 4.124 6.829 1.00 0.00 N ATOM 586 CA PRO A 36 16.479 3.241 7.067 1.00 0.00 C ATOM 587 C PRO A 36 16.707 2.260 5.908 1.00 0.00 C ATOM 588 O PRO A 36 15.754 1.858 5.241 1.00 0.00 O ATOM 589 CB PRO A 36 16.107 2.519 8.380 1.00 0.00 C ATOM 590 CG PRO A 36 14.612 2.477 8.377 1.00 0.00 C ATOM 591 CD PRO A 36 14.173 3.762 7.704 1.00 0.00 C ATOM 0 HA PRO A 36 17.421 3.786 7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.532 1.516 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.487 3.056 9.249 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.245 1.605 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.219 2.411 9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.262 3.617 7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.965 4.544 8.434 1.00 0.00 H new ATOM 599 N GLU A 37 17.979 1.882 5.698 1.00 0.00 N ATOM 600 CA GLU A 37 18.409 1.023 4.572 1.00 0.00 C ATOM 601 C GLU A 37 17.730 -0.367 4.587 1.00 0.00 C ATOM 602 O GLU A 37 17.619 -1.019 3.544 1.00 0.00 O ATOM 603 CB GLU A 37 19.945 0.880 4.588 1.00 0.00 C ATOM 604 CG GLU A 37 20.523 0.265 5.873 1.00 0.00 C ATOM 605 CD GLU A 37 22.019 -0.049 5.747 1.00 0.00 C ATOM 606 OE1 GLU A 37 22.844 0.854 5.970 1.00 0.00 O ATOM 607 OE2 GLU A 37 22.369 -1.201 5.404 1.00 0.00 O ATOM 0 H GLU A 37 18.747 2.164 6.307 1.00 0.00 H new ATOM 0 HA GLU A 37 18.094 1.509 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.247 0.265 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.389 1.865 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 37 20.367 0.953 6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.981 -0.650 6.111 1.00 0.00 H new ATOM 614 N GLU A 38 17.286 -0.797 5.784 1.00 0.00 N ATOM 615 CA GLU A 38 16.535 -2.052 5.981 1.00 0.00 C ATOM 616 C GLU A 38 15.154 -1.994 5.291 1.00 0.00 C ATOM 617 O GLU A 38 14.669 -2.998 4.756 1.00 0.00 O ATOM 618 CB GLU A 38 16.361 -2.314 7.499 1.00 0.00 C ATOM 619 CG GLU A 38 15.660 -1.160 8.244 1.00 0.00 C ATOM 620 CD GLU A 38 15.316 -1.479 9.696 1.00 0.00 C ATOM 621 OE1 GLU A 38 14.229 -2.047 9.946 1.00 0.00 O ATOM 622 OE2 GLU A 38 16.127 -1.180 10.593 1.00 0.00 O ATOM 0 H GLU A 38 17.440 -0.278 6.649 1.00 0.00 H new ATOM 0 HA GLU A 38 17.099 -2.868 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.785 -3.229 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.341 -2.483 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.303 -0.280 8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.744 -0.901 7.713 1.00 0.00 H new ATOM 629 N ASN A 39 14.554 -0.797 5.307 1.00 0.00 N ATOM 630 CA ASN A 39 13.202 -0.542 4.802 1.00 0.00 C ATOM 631 C ASN A 39 13.220 -0.344 3.272 1.00 0.00 C ATOM 632 O ASN A 39 12.194 -0.506 2.600 1.00 0.00 O ATOM 633 CB ASN A 39 12.650 0.721 5.520 1.00 0.00 C ATOM 634 CG ASN A 39 11.179 1.014 5.232 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.390 0.097 5.016 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.805 2.278 5.209 1.00 0.00 N ATOM 0 H ASN A 39 15.006 0.038 5.680 1.00 0.00 H new ATOM 0 HA ASN A 39 12.557 -1.396 5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.781 0.600 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.246 1.584 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.835 2.519 5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.486 3.015 5.393 1.00 0.00 H new ATOM 643 N LEU A 40 14.403 0.022 2.739 1.00 0.00 N ATOM 644 CA LEU A 40 14.597 0.270 1.302 1.00 0.00 C ATOM 645 C LEU A 40 14.910 -1.048 0.607 1.00 0.00 C ATOM 646 O LEU A 40 15.642 -1.867 1.167 1.00 0.00 O ATOM 647 CB LEU A 40 15.770 1.282 1.065 1.00 0.00 C ATOM 648 CG LEU A 40 15.873 2.477 2.065 1.00 0.00 C ATOM 649 CD1 LEU A 40 16.930 3.516 1.628 1.00 0.00 C ATOM 650 CD2 LEU A 40 14.512 3.130 2.317 1.00 0.00 C ATOM 0 H LEU A 40 15.248 0.153 3.295 1.00 0.00 H new ATOM 0 HA LEU A 40 13.684 0.702 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 40 16.709 0.729 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.672 1.687 0.058 1.00 0.00 H new ATOM 0 HG LEU A 40 16.212 2.060 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 40 16.965 4.328 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 40 17.908 3.038 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 40 16.664 3.916 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.629 3.956 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.109 3.506 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.827 2.393 2.736 1.00 0.00 H new ATOM 662 N ASP A 41 14.391 -1.248 -0.613 1.00 0.00 N ATOM 663 CA ASP A 41 14.754 -2.434 -1.431 1.00 0.00 C ATOM 664 C ASP A 41 15.628 -1.963 -2.591 1.00 0.00 C ATOM 665 O ASP A 41 15.720 -2.614 -3.636 1.00 0.00 O ATOM 666 CB ASP A 41 13.487 -3.194 -1.903 1.00 0.00 C ATOM 667 CG ASP A 41 12.510 -2.332 -2.703 1.00 0.00 C ATOM 668 OD1 ASP A 41 11.716 -1.603 -2.075 1.00 0.00 O ATOM 669 OD2 ASP A 41 12.536 -2.362 -3.955 1.00 0.00 O ATOM 0 H ASP A 41 13.725 -0.617 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 41 15.321 -3.149 -0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.791 -4.044 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.971 -3.597 -1.031 1.00 0.00 H new ATOM 674 N CYS A 42 16.314 -0.829 -2.354 1.00 0.00 N ATOM 675 CA CYS A 42 17.149 -0.157 -3.340 1.00 0.00 C ATOM 676 C CYS A 42 18.613 -0.128 -2.888 1.00 0.00 C ATOM 677 O CYS A 42 19.024 0.801 -2.190 1.00 0.00 O ATOM 678 CB CYS A 42 16.630 1.272 -3.580 1.00 0.00 C ATOM 679 SG CYS A 42 17.545 2.176 -4.846 1.00 0.00 S ATOM 0 H CYS A 42 16.296 -0.354 -1.452 1.00 0.00 H new ATOM 0 HA CYS A 42 17.098 -0.714 -4.275 1.00 0.00 H new ATOM 0 HB2 CYS A 42 15.580 1.224 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 42 16.678 1.828 -2.644 1.00 0.00 H new ATOM 0 HG CYS A 42 16.713 2.662 -5.719 1.00 0.00 H new ATOM 685 N PRO A 43 19.432 -1.157 -3.264 1.00 0.00 N ATOM 686 CA PRO A 43 20.898 -1.121 -3.063 1.00 0.00 C ATOM 687 C PRO A 43 21.562 -0.112 -4.019 1.00 0.00 C ATOM 688 O PRO A 43 22.667 0.375 -3.756 1.00 0.00 O ATOM 689 CB PRO A 43 21.358 -2.578 -3.358 1.00 0.00 C ATOM 690 CG PRO A 43 20.094 -3.387 -3.406 1.00 0.00 C ATOM 691 CD PRO A 43 19.016 -2.443 -3.879 1.00 0.00 C ATOM 0 HA PRO A 43 21.178 -0.797 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.899 -2.637 -4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 43 22.030 -2.944 -2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.198 -4.233 -4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.853 -3.794 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.978 -2.381 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 43 18.027 -2.754 -3.543 1.00 0.00 H new ATOM 699 N GLU A 44 20.844 0.187 -5.128 1.00 0.00 N ATOM 700 CA GLU A 44 21.293 1.111 -6.174 1.00 0.00 C ATOM 701 C GLU A 44 21.609 2.499 -5.599 1.00 0.00 C ATOM 702 O GLU A 44 22.750 2.943 -5.643 1.00 0.00 O ATOM 703 CB GLU A 44 20.190 1.229 -7.266 1.00 0.00 C ATOM 704 CG GLU A 44 20.503 2.213 -8.417 1.00 0.00 C ATOM 705 CD GLU A 44 21.728 1.813 -9.254 1.00 0.00 C ATOM 706 OE1 GLU A 44 21.607 0.897 -10.093 1.00 0.00 O ATOM 707 OE2 GLU A 44 22.817 2.408 -9.084 1.00 0.00 O ATOM 0 H GLU A 44 19.926 -0.217 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 44 22.209 0.715 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.016 0.241 -7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.260 1.538 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.634 2.282 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.668 3.206 -8.000 1.00 0.00 H new ATOM 714 N LEU A 45 20.599 3.133 -4.998 1.00 0.00 N ATOM 715 CA LEU A 45 20.690 4.531 -4.549 1.00 0.00 C ATOM 716 C LEU A 45 21.466 4.663 -3.234 1.00 0.00 C ATOM 717 O LEU A 45 22.107 5.686 -3.006 1.00 0.00 O ATOM 718 CB LEU A 45 19.281 5.151 -4.443 1.00 0.00 C ATOM 719 CG LEU A 45 18.483 5.181 -5.783 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.059 5.700 -5.559 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.224 6.000 -6.862 1.00 0.00 C ATOM 0 H LEU A 45 19.697 2.697 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 45 21.254 5.088 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.706 4.591 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.374 6.170 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 45 18.408 4.158 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.523 5.712 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.540 5.047 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.100 6.711 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.641 6.001 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.355 7.025 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.200 5.554 -7.051 1.00 0.00 H new ATOM 733 N ILE A 46 21.415 3.619 -2.382 1.00 0.00 N ATOM 734 CA ILE A 46 22.200 3.579 -1.129 1.00 0.00 C ATOM 735 C ILE A 46 23.701 3.578 -1.457 1.00 0.00 C ATOM 736 O ILE A 46 24.435 4.485 -1.052 1.00 0.00 O ATOM 737 CB ILE A 46 21.832 2.313 -0.259 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.342 2.377 0.215 1.00 0.00 C ATOM 739 CG2 ILE A 46 22.789 2.135 0.955 1.00 0.00 C ATOM 740 CD1 ILE A 46 19.854 1.120 0.935 1.00 0.00 C ATOM 0 H ILE A 46 20.839 2.792 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 46 21.956 4.467 -0.545 1.00 0.00 H new ATOM 0 HB ILE A 46 21.957 1.439 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.221 3.232 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 46 19.705 2.555 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.496 1.252 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 46 23.812 2.014 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 46 22.731 3.014 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 46 18.812 1.250 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 46 19.938 0.262 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.463 0.950 1.823 1.00 0.00 H new ATOM 752 N GLU A 47 24.116 2.593 -2.268 1.00 0.00 N ATOM 753 CA GLU A 47 25.530 2.367 -2.590 1.00 0.00 C ATOM 754 C GLU A 47 26.081 3.462 -3.512 1.00 0.00 C ATOM 755 O GLU A 47 27.192 3.931 -3.304 1.00 0.00 O ATOM 756 CB GLU A 47 25.734 0.977 -3.229 1.00 0.00 C ATOM 757 CG GLU A 47 27.190 0.635 -3.593 1.00 0.00 C ATOM 758 CD GLU A 47 27.360 -0.796 -4.121 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.562 -1.724 -3.308 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.275 -1.005 -5.352 1.00 0.00 O ATOM 0 H GLU A 47 23.481 1.933 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 47 26.086 2.406 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.360 0.219 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.126 0.916 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.544 1.338 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.819 0.768 -2.713 1.00 0.00 H new ATOM 767 N ALA A 48 25.285 3.875 -4.520 1.00 0.00 N ATOM 768 CA ALA A 48 25.722 4.894 -5.506 1.00 0.00 C ATOM 769 C ALA A 48 25.925 6.263 -4.836 1.00 0.00 C ATOM 770 O ALA A 48 26.816 7.017 -5.226 1.00 0.00 O ATOM 771 CB ALA A 48 24.730 5.025 -6.668 1.00 0.00 C ATOM 0 H ALA A 48 24.340 3.523 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 48 26.676 4.554 -5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.087 5.781 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.643 4.068 -7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.754 5.320 -6.282 1.00 0.00 H new ATOM 777 N PHE A 49 25.088 6.560 -3.819 1.00 0.00 N ATOM 778 CA PHE A 49 25.228 7.763 -2.967 1.00 0.00 C ATOM 779 C PHE A 49 26.581 7.760 -2.236 1.00 0.00 C ATOM 780 O PHE A 49 27.265 8.792 -2.174 1.00 0.00 O ATOM 781 CB PHE A 49 24.060 7.830 -1.951 1.00 0.00 C ATOM 782 CG PHE A 49 24.211 8.876 -0.846 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.157 10.242 -1.132 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.390 8.491 0.486 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.292 11.182 -0.126 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.525 9.432 1.485 1.00 0.00 C ATOM 787 CZ PHE A 49 24.472 10.777 1.182 1.00 0.00 C ATOM 0 H PHE A 49 24.294 5.972 -3.564 1.00 0.00 H new ATOM 0 HA PHE A 49 25.192 8.647 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.138 8.032 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 49 23.948 6.850 -1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.008 10.568 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.423 7.441 0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.257 12.235 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 49 24.673 9.115 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.571 11.512 1.967 1.00 0.00 H new ATOM 797 N LEU A 50 26.949 6.590 -1.690 1.00 0.00 N ATOM 798 CA LEU A 50 28.231 6.397 -0.991 1.00 0.00 C ATOM 799 C LEU A 50 29.397 6.515 -1.996 1.00 0.00 C ATOM 800 O LEU A 50 30.416 7.132 -1.706 1.00 0.00 O ATOM 801 CB LEU A 50 28.251 5.015 -0.283 1.00 0.00 C ATOM 802 CG LEU A 50 27.070 4.731 0.701 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.176 3.323 1.321 1.00 0.00 C ATOM 804 CD2 LEU A 50 26.957 5.823 1.784 1.00 0.00 C ATOM 0 H LEU A 50 26.368 5.752 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 50 28.347 7.171 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.256 4.238 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.187 4.925 0.269 1.00 0.00 H new ATOM 0 HG LEU A 50 26.149 4.760 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.339 3.160 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.152 2.574 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.112 3.238 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.125 5.591 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.882 5.862 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.784 6.789 1.310 1.00 0.00 H new ATOM 816 N ASN A 51 29.179 5.964 -3.208 1.00 0.00 N ATOM 817 CA ASN A 51 30.174 5.963 -4.307 1.00 0.00 C ATOM 818 C ASN A 51 30.348 7.367 -4.908 1.00 0.00 C ATOM 819 O ASN A 51 31.364 7.651 -5.543 1.00 0.00 O ATOM 820 CB ASN A 51 29.771 4.949 -5.420 1.00 0.00 C ATOM 821 CG ASN A 51 29.801 3.488 -4.969 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.528 3.118 -4.046 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.035 2.638 -5.639 1.00 0.00 N ATOM 0 H ASN A 51 28.303 5.504 -3.456 1.00 0.00 H new ATOM 0 HA ASN A 51 31.129 5.655 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.768 5.190 -5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.444 5.071 -6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.037 1.648 -5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 51 28.443 2.974 -6.399 1.00 0.00 H new ATOM 830 N SER A 52 29.335 8.236 -4.720 1.00 0.00 N ATOM 831 CA SER A 52 29.408 9.657 -5.117 1.00 0.00 C ATOM 832 C SER A 52 30.352 10.429 -4.168 1.00 0.00 C ATOM 833 O SER A 52 31.015 11.380 -4.583 1.00 0.00 O ATOM 834 CB SER A 52 28.000 10.294 -5.104 1.00 0.00 C ATOM 835 OG SER A 52 27.125 9.616 -5.995 1.00 0.00 O ATOM 0 H SER A 52 28.447 7.975 -4.291 1.00 0.00 H new ATOM 0 HA SER A 52 29.805 9.714 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.592 10.262 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.070 11.344 -5.387 1.00 0.00 H new ATOM 0 HG SER A 52 26.923 8.725 -5.640 1.00 0.00 H new ATOM 954 N GLN B 5 14.915 1.987 -8.663 1.00 0.00 N ATOM 955 CA GLN B 5 14.730 0.943 -7.641 1.00 0.00 C ATOM 956 C GLN B 5 14.114 1.556 -6.364 1.00 0.00 C ATOM 957 O GLN B 5 14.639 2.531 -5.808 1.00 0.00 O ATOM 958 CB GLN B 5 16.072 0.225 -7.371 1.00 0.00 C ATOM 959 CG GLN B 5 15.963 -1.091 -6.579 1.00 0.00 C ATOM 960 CD GLN B 5 14.979 -2.097 -7.188 1.00 0.00 C ATOM 961 OE1 GLN B 5 15.341 -2.881 -8.066 1.00 0.00 O ATOM 962 NE2 GLN B 5 13.747 -2.120 -6.686 1.00 0.00 N ATOM 0 HA GLN B 5 14.031 0.189 -8.002 1.00 0.00 H new ATOM 0 HB2 GLN B 5 16.553 0.017 -8.327 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.727 0.905 -6.826 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.949 -1.551 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN B 5 15.654 -0.866 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN B 5 13.480 -1.456 -5.959 1.00 0.00 H new ATOM 0 HE22 GLN B 5 13.070 -2.802 -7.028 1.00 0.00 H new ATOM 971 N THR B 6 12.966 1.002 -5.966 1.00 0.00 N ATOM 972 CA THR B 6 12.006 1.653 -5.061 1.00 0.00 C ATOM 973 C THR B 6 12.323 1.412 -3.565 1.00 0.00 C ATOM 974 O THR B 6 13.254 0.661 -3.195 1.00 0.00 O ATOM 975 CB THR B 6 10.535 1.196 -5.436 1.00 0.00 C ATOM 976 OG1 THR B 6 9.548 1.800 -4.586 1.00 0.00 O ATOM 977 CG2 THR B 6 10.369 -0.328 -5.392 1.00 0.00 C ATOM 0 H THR B 6 12.669 0.073 -6.267 1.00 0.00 H new ATOM 0 HA THR B 6 12.092 2.731 -5.200 1.00 0.00 H new ATOM 0 HB THR B 6 10.377 1.536 -6.460 1.00 0.00 H new ATOM 0 HG1 THR B 6 9.714 2.764 -4.526 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.345 -0.590 -5.656 1.00 0.00 H new ATOM 0 HG22 THR B 6 11.056 -0.789 -6.101 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.588 -0.689 -4.387 1.00 0.00 H new ATOM 985 N ALA B 7 11.543 2.095 -2.715 1.00 0.00 N ATOM 986 CA ALA B 7 11.669 2.039 -1.259 1.00 0.00 C ATOM 987 C ALA B 7 10.297 2.212 -0.606 1.00 0.00 C ATOM 988 O ALA B 7 9.372 2.789 -1.203 1.00 0.00 O ATOM 989 CB ALA B 7 12.636 3.122 -0.769 1.00 0.00 C ATOM 0 H ALA B 7 10.794 2.712 -3.030 1.00 0.00 H new ATOM 0 HA ALA B 7 12.069 1.065 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.721 3.070 0.316 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.617 2.964 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.259 4.103 -1.057 1.00 0.00 H new ATOM 995 N ARG B 8 10.167 1.686 0.612 1.00 0.00 N ATOM 996 CA ARG B 8 8.947 1.803 1.421 1.00 0.00 C ATOM 997 C ARG B 8 9.116 2.978 2.415 1.00 0.00 C ATOM 998 O ARG B 8 10.235 3.468 2.616 1.00 0.00 O ATOM 999 CB ARG B 8 8.709 0.471 2.184 1.00 0.00 C ATOM 1000 CG ARG B 8 7.302 0.303 2.826 1.00 0.00 C ATOM 1001 CD ARG B 8 7.324 -0.485 4.158 1.00 0.00 C ATOM 1002 NE ARG B 8 8.157 -1.714 4.098 1.00 0.00 N ATOM 1003 CZ ARG B 8 8.010 -2.786 4.889 1.00 0.00 C ATOM 1004 NH1 ARG B 8 7.006 -2.856 5.748 1.00 0.00 N ATOM 1005 NH2 ARG B 8 8.888 -3.775 4.828 1.00 0.00 N ATOM 0 H ARG B 8 10.911 1.161 1.072 1.00 0.00 H new ATOM 0 HA ARG B 8 8.085 1.998 0.783 1.00 0.00 H new ATOM 0 HB2 ARG B 8 8.874 -0.356 1.494 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.459 0.385 2.970 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.871 1.289 3.003 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.648 -0.209 2.120 1.00 0.00 H new ATOM 0 HD2 ARG B 8 7.700 0.163 4.950 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.304 -0.758 4.428 1.00 0.00 H new ATOM 0 HE ARG B 8 8.900 -1.744 3.399 1.00 0.00 H new ATOM 0 HH11 ARG B 8 6.336 -2.090 5.812 1.00 0.00 H new ATOM 0 HH12 ARG B 8 6.902 -3.676 6.346 1.00 0.00 H new ATOM 0 HH21 ARG B 8 9.674 -3.720 4.180 1.00 0.00 H new ATOM 0 HH22 ARG B 8 8.779 -4.592 5.429 1.00 0.00 H new