USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 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 7 LYS NZ :NH3+ 152:sc= 0.0455 (180deg=-0.184) USER MOD Set 1.2: A 21 ASN : amide:sc= 1.61 K(o=1.7,f=-0.63) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -152:sc= 1.15 USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0359) USER MOD Single : A 13 TYR OH : rot -176:sc= 1.2 USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0245) USER MOD Single : A 22 GLN : amide:sc= 0.691 K(o=0.69,f=-3.1!) USER MOD Single : A 24 SER OG : rot 51:sc= 1.08 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.315 K(o=0.31,f=-2) USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 38 SER OG : rot 44:sc= 1.07 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0.57 (180deg=0.549) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 45 THR OG1 : rot -166:sc= 1.19 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -73:sc= 1.17 USER MOD Single : A 67 GLN : amide:sc= 0.193 X(o=0.19,f=-0.29) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc=-0.00237 (180deg=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0455) USER MOD Single : A 74 SER OG : rot 63:sc= 0.876 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.990 2.348 -0.966 1.00 0.00 N ATOM 2 CA LYS A 1 3.254 1.767 -1.453 1.00 0.00 C ATOM 3 C LYS A 1 2.986 0.685 -2.501 1.00 0.00 C ATOM 4 O LYS A 1 3.360 0.836 -3.666 1.00 0.00 O ATOM 5 CB LYS A 1 4.080 1.208 -0.283 1.00 0.00 C ATOM 6 CG LYS A 1 5.469 0.732 -0.741 1.00 0.00 C ATOM 7 CD LYS A 1 6.144 -0.191 0.281 1.00 0.00 C ATOM 8 CE LYS A 1 5.475 -1.572 0.343 1.00 0.00 C ATOM 9 NZ LYS A 1 6.305 -2.534 1.088 1.00 0.00 N ATOM 0 H1 LYS A 1 2.195 3.080 -0.256 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.474 2.773 -1.762 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.408 1.601 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 1 3.834 2.558 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.193 1.976 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.544 0.377 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.374 0.207 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.106 1.599 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.196 -0.310 0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.109 0.273 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.499 -1.485 0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.304 -1.942 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.828 -3.458 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.227 -2.634 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.447 -2.191 2.059 1.00 0.00 H new ATOM 25 N SER A 2 2.348 -0.411 -2.075 1.00 0.00 N ATOM 26 CA SER A 2 2.213 -1.623 -2.860 1.00 0.00 C ATOM 27 C SER A 2 1.771 -1.375 -4.302 1.00 0.00 C ATOM 28 O SER A 2 2.440 -1.884 -5.192 1.00 0.00 O ATOM 29 CB SER A 2 1.367 -2.667 -2.128 1.00 0.00 C ATOM 30 OG SER A 2 1.727 -2.669 -0.760 1.00 0.00 O ATOM 0 H SER A 2 1.907 -0.472 -1.158 1.00 0.00 H new ATOM 0 HA SER A 2 3.213 -2.044 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.307 -2.439 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.527 -3.654 -2.562 1.00 0.00 H new ATOM 0 HG SER A 2 1.561 -3.557 -0.379 1.00 0.00 H new ATOM 36 N PRO A 3 0.716 -0.591 -4.582 1.00 0.00 N ATOM 37 CA PRO A 3 0.329 -0.275 -5.949 1.00 0.00 C ATOM 38 C PRO A 3 1.512 0.167 -6.818 1.00 0.00 C ATOM 39 O PRO A 3 1.718 -0.359 -7.911 1.00 0.00 O ATOM 40 CB PRO A 3 -0.730 0.823 -5.822 1.00 0.00 C ATOM 41 CG PRO A 3 -1.382 0.507 -4.478 1.00 0.00 C ATOM 42 CD PRO A 3 -0.177 0.077 -3.643 1.00 0.00 C ATOM 0 HA PRO A 3 -0.058 -1.157 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.285 1.818 -5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.450 0.788 -6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.886 1.375 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.127 -0.285 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.309 0.936 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.475 -0.594 -2.837 1.00 0.00 H new ATOM 50 N GLU A 4 2.306 1.120 -6.322 1.00 0.00 N ATOM 51 CA GLU A 4 3.407 1.698 -7.075 1.00 0.00 C ATOM 52 C GLU A 4 4.586 0.730 -7.129 1.00 0.00 C ATOM 53 O GLU A 4 5.242 0.606 -8.160 1.00 0.00 O ATOM 54 CB GLU A 4 3.808 3.048 -6.466 1.00 0.00 C ATOM 55 CG GLU A 4 2.613 4.002 -6.307 1.00 0.00 C ATOM 56 CD GLU A 4 1.815 4.153 -7.600 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.400 4.678 -8.572 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.638 3.729 -7.597 1.00 0.00 O ATOM 0 H GLU A 4 2.198 1.509 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 4 3.085 1.875 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.267 2.881 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.562 3.518 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.957 3.631 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.972 4.980 -5.988 1.00 0.00 H new ATOM 65 N GLU A 5 4.849 0.027 -6.025 1.00 0.00 N ATOM 66 CA GLU A 5 5.886 -0.995 -5.988 1.00 0.00 C ATOM 67 C GLU A 5 5.601 -2.043 -7.071 1.00 0.00 C ATOM 68 O GLU A 5 6.439 -2.333 -7.925 1.00 0.00 O ATOM 69 CB GLU A 5 5.923 -1.604 -4.580 1.00 0.00 C ATOM 70 CG GLU A 5 7.105 -2.555 -4.366 1.00 0.00 C ATOM 71 CD GLU A 5 7.102 -3.090 -2.937 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.718 -2.425 -2.078 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.453 -4.137 -2.725 1.00 0.00 O ATOM 0 H GLU A 5 4.353 0.151 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 5 6.868 -0.570 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.973 -0.801 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.993 -2.144 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.046 -3.383 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.041 -2.033 -4.564 1.00 0.00 H new ATOM 80 N LEU A 6 4.382 -2.582 -7.047 1.00 0.00 N ATOM 81 CA LEU A 6 3.911 -3.565 -8.003 1.00 0.00 C ATOM 82 C LEU A 6 3.925 -2.967 -9.406 1.00 0.00 C ATOM 83 O LEU A 6 4.286 -3.667 -10.343 1.00 0.00 O ATOM 84 CB LEU A 6 2.516 -4.082 -7.628 1.00 0.00 C ATOM 85 CG LEU A 6 2.467 -4.753 -6.245 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.026 -4.755 -5.733 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.974 -6.194 -6.321 1.00 0.00 C ATOM 0 H LEU A 6 3.685 -2.337 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 6 4.584 -4.422 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.811 -3.251 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.186 -4.796 -8.382 1.00 0.00 H new ATOM 0 HG LEU A 6 3.108 -4.192 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.989 -5.230 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.667 -3.729 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.394 -5.307 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.930 -6.648 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.350 -6.764 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.004 -6.199 -6.677 1.00 0.00 H new ATOM 99 N LYS A 7 3.568 -1.688 -9.574 1.00 0.00 N ATOM 100 CA LYS A 7 3.711 -1.022 -10.863 1.00 0.00 C ATOM 101 C LYS A 7 5.158 -1.053 -11.343 1.00 0.00 C ATOM 102 O LYS A 7 5.402 -1.365 -12.505 1.00 0.00 O ATOM 103 CB LYS A 7 3.173 0.411 -10.823 1.00 0.00 C ATOM 104 CG LYS A 7 2.986 0.941 -12.252 1.00 0.00 C ATOM 105 CD LYS A 7 2.196 2.254 -12.256 1.00 0.00 C ATOM 106 CE LYS A 7 2.027 2.794 -13.683 1.00 0.00 C ATOM 107 NZ LYS A 7 1.292 1.854 -14.551 1.00 0.00 N ATOM 0 H LYS A 7 3.181 -1.101 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 7 3.108 -1.576 -11.582 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.223 0.437 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.864 1.053 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.960 1.098 -12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.463 0.197 -12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.216 2.094 -11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.711 2.994 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.496 3.745 -13.649 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.009 2.992 -14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.795 2.384 -15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.962 1.189 -14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.601 1.325 -13.982 1.00 0.00 H new ATOM 121 N GLY A 8 6.115 -0.740 -10.471 1.00 0.00 N ATOM 122 CA GLY A 8 7.529 -0.810 -10.803 1.00 0.00 C ATOM 123 C GLY A 8 7.901 -2.216 -11.269 1.00 0.00 C ATOM 124 O GLY A 8 8.439 -2.388 -12.361 1.00 0.00 O ATOM 0 H GLY A 8 5.928 -0.432 -9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.761 -0.088 -11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.127 -0.539 -9.933 1.00 0.00 H new ATOM 128 N ILE A 9 7.592 -3.221 -10.446 1.00 0.00 N ATOM 129 CA ILE A 9 7.842 -4.630 -10.761 1.00 0.00 C ATOM 130 C ILE A 9 7.248 -4.959 -12.135 1.00 0.00 C ATOM 131 O ILE A 9 7.961 -5.345 -13.062 1.00 0.00 O ATOM 132 CB ILE A 9 7.248 -5.508 -9.638 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.029 -5.333 -8.322 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.206 -6.995 -9.992 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.421 -6.146 -7.174 1.00 0.00 C ATOM 0 H ILE A 9 7.157 -3.079 -9.534 1.00 0.00 H new ATOM 0 HA ILE A 9 8.912 -4.832 -10.813 1.00 0.00 H new ATOM 0 HB ILE A 9 6.221 -5.163 -9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.064 -5.639 -8.473 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.045 -4.278 -8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.778 -7.555 -9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.593 -7.140 -10.881 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.218 -7.351 -10.187 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.006 -5.990 -6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.394 -5.823 -7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.429 -7.205 -7.434 1.00 0.00 H new ATOM 147 N PHE A 10 5.931 -4.799 -12.246 1.00 0.00 N ATOM 148 CA PHE A 10 5.143 -4.985 -13.450 1.00 0.00 C ATOM 149 C PHE A 10 5.860 -4.355 -14.647 1.00 0.00 C ATOM 150 O PHE A 10 6.193 -5.042 -15.604 1.00 0.00 O ATOM 151 CB PHE A 10 3.746 -4.396 -13.198 1.00 0.00 C ATOM 152 CG PHE A 10 2.852 -4.302 -14.410 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.973 -3.196 -15.269 1.00 0.00 C ATOM 154 CD2 PHE A 10 1.928 -5.320 -14.705 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.301 -3.191 -16.496 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.243 -5.305 -15.929 1.00 0.00 C ATOM 157 CZ PHE A 10 1.471 -4.268 -16.845 1.00 0.00 C ATOM 0 H PHE A 10 5.358 -4.520 -11.450 1.00 0.00 H new ATOM 0 HA PHE A 10 5.026 -6.041 -13.693 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.245 -5.004 -12.445 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.862 -3.398 -12.776 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.583 -2.352 -14.983 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.746 -6.110 -13.992 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.421 -2.359 -17.174 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.541 -6.091 -16.166 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.008 -4.298 -17.820 1.00 0.00 H new ATOM 167 N GLU A 11 6.135 -3.054 -14.584 1.00 0.00 N ATOM 168 CA GLU A 11 6.781 -2.313 -15.652 1.00 0.00 C ATOM 169 C GLU A 11 8.127 -2.943 -16.032 1.00 0.00 C ATOM 170 O GLU A 11 8.415 -3.134 -17.215 1.00 0.00 O ATOM 171 CB GLU A 11 6.911 -0.852 -15.210 1.00 0.00 C ATOM 172 CG GLU A 11 7.491 0.049 -16.307 1.00 0.00 C ATOM 173 CD GLU A 11 7.220 1.518 -16.002 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.019 1.868 -15.949 1.00 0.00 O ATOM 175 OE2 GLU A 11 8.210 2.258 -15.818 1.00 0.00 O ATOM 0 H GLU A 11 5.909 -2.480 -13.772 1.00 0.00 H new ATOM 0 HA GLU A 11 6.177 -2.351 -16.559 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.930 -0.476 -14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.548 -0.799 -14.327 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.565 -0.117 -16.390 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.052 -0.214 -17.269 1.00 0.00 H new ATOM 182 N LYS A 12 8.955 -3.270 -15.036 1.00 0.00 N ATOM 183 CA LYS A 12 10.251 -3.887 -15.278 1.00 0.00 C ATOM 184 C LYS A 12 10.100 -5.224 -16.008 1.00 0.00 C ATOM 185 O LYS A 12 10.805 -5.458 -16.988 1.00 0.00 O ATOM 186 CB LYS A 12 11.030 -4.034 -13.965 1.00 0.00 C ATOM 187 CG LYS A 12 11.481 -2.666 -13.440 1.00 0.00 C ATOM 188 CD LYS A 12 12.053 -2.807 -12.022 1.00 0.00 C ATOM 189 CE LYS A 12 12.389 -1.442 -11.409 1.00 0.00 C ATOM 190 NZ LYS A 12 13.426 -0.731 -12.177 1.00 0.00 N ATOM 0 H LYS A 12 8.744 -3.114 -14.050 1.00 0.00 H new ATOM 0 HA LYS A 12 10.828 -3.233 -15.932 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.405 -4.526 -13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.900 -4.672 -14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.235 -2.244 -14.104 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.638 -1.975 -13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.332 -3.323 -11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.951 -3.424 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.487 -0.832 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.729 -1.580 -10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.683 0.147 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.267 -1.336 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.061 -0.501 -13.123 1.00 0.00 H new ATOM 204 N TYR A 13 9.198 -6.106 -15.564 1.00 0.00 N ATOM 205 CA TYR A 13 8.950 -7.324 -16.328 1.00 0.00 C ATOM 206 C TYR A 13 8.414 -7.008 -17.730 1.00 0.00 C ATOM 207 O TYR A 13 8.997 -7.437 -18.720 1.00 0.00 O ATOM 208 CB TYR A 13 8.068 -8.285 -15.539 1.00 0.00 C ATOM 209 CG TYR A 13 8.826 -8.983 -14.427 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.668 -10.071 -14.726 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.699 -8.554 -13.095 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.394 -10.701 -13.700 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.388 -9.216 -12.069 1.00 0.00 C ATOM 214 CZ TYR A 13 10.263 -10.268 -12.372 1.00 0.00 C ATOM 215 OH TYR A 13 10.927 -10.915 -11.372 1.00 0.00 O ATOM 0 H TYR A 13 8.648 -6.003 -14.711 1.00 0.00 H new ATOM 0 HA TYR A 13 9.898 -7.837 -16.487 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.227 -7.737 -15.114 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.652 -9.031 -16.216 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.756 -10.422 -15.744 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.067 -7.710 -12.860 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.055 -11.522 -13.935 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.244 -8.914 -11.042 1.00 0.00 H new ATOM 0 HH TYR A 13 10.676 -10.526 -10.508 1.00 0.00 H new ATOM 225 N ALA A 14 7.320 -6.253 -17.818 1.00 0.00 N ATOM 226 CA ALA A 14 6.681 -5.798 -19.046 1.00 0.00 C ATOM 227 C ALA A 14 7.695 -5.371 -20.099 1.00 0.00 C ATOM 228 O ALA A 14 7.649 -5.865 -21.219 1.00 0.00 O ATOM 229 CB ALA A 14 5.723 -4.650 -18.735 1.00 0.00 C ATOM 0 H ALA A 14 6.830 -5.925 -16.985 1.00 0.00 H new ATOM 0 HA ALA A 14 6.124 -6.638 -19.460 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.248 -4.313 -19.656 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.959 -4.992 -18.037 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.277 -3.824 -18.290 1.00 0.00 H new ATOM 235 N ALA A 15 8.636 -4.496 -19.735 1.00 0.00 N ATOM 236 CA ALA A 15 9.718 -4.079 -20.622 1.00 0.00 C ATOM 237 C ALA A 15 10.319 -5.247 -21.423 1.00 0.00 C ATOM 238 O ALA A 15 10.544 -5.114 -22.624 1.00 0.00 O ATOM 239 CB ALA A 15 10.797 -3.355 -19.815 1.00 0.00 C ATOM 0 H ALA A 15 8.667 -4.058 -18.815 1.00 0.00 H new ATOM 0 HA ALA A 15 9.293 -3.395 -21.357 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.603 -3.045 -20.481 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.365 -2.477 -19.335 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.193 -4.026 -19.053 1.00 0.00 H new ATOM 245 N LYS A 16 10.547 -6.399 -20.781 1.00 0.00 N ATOM 246 CA LYS A 16 11.116 -7.584 -21.419 1.00 0.00 C ATOM 247 C LYS A 16 10.239 -8.091 -22.573 1.00 0.00 C ATOM 248 O LYS A 16 10.754 -8.625 -23.551 1.00 0.00 O ATOM 249 CB LYS A 16 11.322 -8.703 -20.385 1.00 0.00 C ATOM 250 CG LYS A 16 12.140 -8.254 -19.165 1.00 0.00 C ATOM 251 CD LYS A 16 12.237 -9.407 -18.155 1.00 0.00 C ATOM 252 CE LYS A 16 12.898 -8.960 -16.845 1.00 0.00 C ATOM 253 NZ LYS A 16 14.290 -8.524 -17.052 1.00 0.00 N ATOM 0 H LYS A 16 10.338 -6.532 -19.792 1.00 0.00 H new ATOM 0 HA LYS A 16 12.081 -7.296 -21.836 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.349 -9.063 -20.050 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.826 -9.543 -20.863 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.138 -7.946 -19.477 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.670 -7.388 -18.699 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.239 -9.793 -17.946 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.810 -10.225 -18.591 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.323 -8.143 -16.409 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.878 -9.782 -16.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.722 -8.295 -16.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.829 -9.288 -17.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.303 -7.681 -17.661 1.00 0.00 H new ATOM 267 N GLU A 17 8.917 -7.924 -22.459 1.00 0.00 N ATOM 268 CA GLU A 17 7.958 -8.246 -23.508 1.00 0.00 C ATOM 269 C GLU A 17 8.265 -7.433 -24.767 1.00 0.00 C ATOM 270 O GLU A 17 8.106 -7.924 -25.882 1.00 0.00 O ATOM 271 CB GLU A 17 6.534 -7.937 -23.003 1.00 0.00 C ATOM 272 CG GLU A 17 5.419 -8.687 -23.747 1.00 0.00 C ATOM 273 CD GLU A 17 5.132 -8.166 -25.153 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.308 -6.948 -25.367 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.711 -9.002 -25.982 1.00 0.00 O ATOM 0 H GLU A 17 8.480 -7.553 -21.615 1.00 0.00 H new ATOM 0 HA GLU A 17 8.030 -9.305 -23.757 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.476 -8.184 -21.943 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.355 -6.865 -23.091 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.689 -9.741 -23.812 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.504 -8.628 -23.158 1.00 0.00 H new ATOM 282 N GLY A 18 8.653 -6.169 -24.577 1.00 0.00 N ATOM 283 CA GLY A 18 8.772 -5.175 -25.628 1.00 0.00 C ATOM 284 C GLY A 18 7.774 -4.061 -25.338 1.00 0.00 C ATOM 285 O GLY A 18 8.148 -2.891 -25.267 1.00 0.00 O ATOM 0 H GLY A 18 8.899 -5.806 -23.656 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.786 -4.778 -25.664 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.571 -5.623 -26.601 1.00 0.00 H new ATOM 289 N ASP A 19 6.502 -4.418 -25.133 1.00 0.00 N ATOM 290 CA ASP A 19 5.493 -3.471 -24.682 1.00 0.00 C ATOM 291 C ASP A 19 5.920 -2.910 -23.317 1.00 0.00 C ATOM 292 O ASP A 19 6.033 -3.676 -22.363 1.00 0.00 O ATOM 293 CB ASP A 19 4.125 -4.159 -24.584 1.00 0.00 C ATOM 294 CG ASP A 19 3.008 -3.169 -24.260 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.167 -2.416 -23.272 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.007 -3.180 -25.006 1.00 0.00 O ATOM 0 H ASP A 19 6.151 -5.365 -25.275 1.00 0.00 H new ATOM 0 HA ASP A 19 5.404 -2.654 -25.398 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.903 -4.660 -25.526 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.161 -4.929 -23.814 1.00 0.00 H new ATOM 301 N PRO A 20 6.125 -1.591 -23.179 1.00 0.00 N ATOM 302 CA PRO A 20 6.682 -1.011 -21.968 1.00 0.00 C ATOM 303 C PRO A 20 5.734 -1.068 -20.766 1.00 0.00 C ATOM 304 O PRO A 20 6.123 -0.640 -19.680 1.00 0.00 O ATOM 305 CB PRO A 20 7.040 0.431 -22.343 1.00 0.00 C ATOM 306 CG PRO A 20 6.032 0.765 -23.443 1.00 0.00 C ATOM 307 CD PRO A 20 5.899 -0.564 -24.184 1.00 0.00 C ATOM 0 HA PRO A 20 7.550 -1.581 -21.637 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.945 1.104 -21.491 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.067 0.512 -22.700 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.079 1.098 -23.032 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.393 1.560 -24.096 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.912 -0.666 -24.634 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.627 -0.638 -24.992 1.00 0.00 H new ATOM 315 N ASN A 21 4.495 -1.558 -20.916 1.00 0.00 N ATOM 316 CA ASN A 21 3.569 -1.660 -19.794 1.00 0.00 C ATOM 317 C ASN A 21 2.546 -2.779 -20.011 1.00 0.00 C ATOM 318 O ASN A 21 1.373 -2.622 -19.669 1.00 0.00 O ATOM 319 CB ASN A 21 2.925 -0.281 -19.522 1.00 0.00 C ATOM 320 CG ASN A 21 3.156 0.191 -18.089 1.00 0.00 C ATOM 321 OD1 ASN A 21 2.223 0.338 -17.303 1.00 0.00 O ATOM 322 ND2 ASN A 21 4.414 0.440 -17.749 1.00 0.00 N ATOM 0 H ASN A 21 4.117 -1.888 -21.804 1.00 0.00 H new ATOM 0 HA ASN A 21 4.118 -1.943 -18.896 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.336 0.453 -20.215 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.854 -0.338 -19.716 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.633 0.765 -16.807 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.162 0.306 -18.429 1.00 0.00 H new ATOM 329 N GLN A 22 2.982 -3.931 -20.538 1.00 0.00 N ATOM 330 CA GLN A 22 2.114 -5.093 -20.679 1.00 0.00 C ATOM 331 C GLN A 22 2.905 -6.399 -20.534 1.00 0.00 C ATOM 332 O GLN A 22 3.940 -6.565 -21.173 1.00 0.00 O ATOM 333 CB GLN A 22 1.331 -4.989 -21.999 1.00 0.00 C ATOM 334 CG GLN A 22 -0.103 -5.462 -21.778 1.00 0.00 C ATOM 335 CD GLN A 22 -1.064 -5.128 -22.913 1.00 0.00 C ATOM 336 OE1 GLN A 22 -2.186 -4.700 -22.665 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.652 -5.283 -24.162 1.00 0.00 N ATOM 0 H GLN A 22 3.934 -4.077 -20.873 1.00 0.00 H new ATOM 0 HA GLN A 22 1.383 -5.109 -19.870 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.335 -3.959 -22.356 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.811 -5.595 -22.768 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.097 -6.542 -21.631 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.480 -5.017 -20.857 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.285 -5.640 -24.349 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.271 -5.045 -24.937 1.00 0.00 H new ATOM 346 N LEU A 23 2.436 -7.309 -19.670 1.00 0.00 N ATOM 347 CA LEU A 23 3.110 -8.565 -19.350 1.00 0.00 C ATOM 348 C LEU A 23 2.560 -9.690 -20.221 1.00 0.00 C ATOM 349 O LEU A 23 1.417 -10.091 -20.013 1.00 0.00 O ATOM 350 CB LEU A 23 2.833 -8.974 -17.890 1.00 0.00 C ATOM 351 CG LEU A 23 3.212 -7.964 -16.810 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.713 -8.471 -15.459 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.707 -7.790 -16.649 1.00 0.00 C ATOM 0 H LEU A 23 1.558 -7.186 -19.165 1.00 0.00 H new ATOM 0 HA LEU A 23 4.176 -8.413 -19.517 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.769 -9.191 -17.794 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.368 -9.903 -17.690 1.00 0.00 H new ATOM 0 HG LEU A 23 2.767 -7.017 -17.116 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.979 -7.756 -14.681 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.630 -8.586 -15.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.173 -9.434 -15.239 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.906 -7.059 -15.866 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.157 -8.745 -16.377 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.136 -7.441 -17.588 1.00 0.00 H new ATOM 365 N SER A 24 3.330 -10.258 -21.154 1.00 0.00 N ATOM 366 CA SER A 24 2.858 -11.496 -21.764 1.00 0.00 C ATOM 367 C SER A 24 3.001 -12.631 -20.756 1.00 0.00 C ATOM 368 O SER A 24 3.642 -12.468 -19.719 1.00 0.00 O ATOM 369 CB SER A 24 3.520 -11.795 -23.112 1.00 0.00 C ATOM 370 OG SER A 24 2.758 -12.788 -23.777 1.00 0.00 O ATOM 0 H SER A 24 4.228 -9.905 -21.486 1.00 0.00 H new ATOM 0 HA SER A 24 1.802 -11.383 -22.011 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.573 -10.890 -23.717 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.543 -12.139 -22.963 1.00 0.00 H new ATOM 0 HG SER A 24 1.814 -12.525 -23.786 1.00 0.00 H new ATOM 376 N LYS A 25 2.396 -13.779 -21.064 1.00 0.00 N ATOM 377 CA LYS A 25 2.425 -14.995 -20.266 1.00 0.00 C ATOM 378 C LYS A 25 3.793 -15.233 -19.638 1.00 0.00 C ATOM 379 O LYS A 25 3.872 -15.531 -18.452 1.00 0.00 O ATOM 380 CB LYS A 25 2.014 -16.197 -21.120 1.00 0.00 C ATOM 381 CG LYS A 25 0.624 -16.042 -21.756 1.00 0.00 C ATOM 382 CD LYS A 25 0.111 -17.356 -22.360 1.00 0.00 C ATOM 383 CE LYS A 25 0.971 -17.826 -23.539 1.00 0.00 C ATOM 384 NZ LYS A 25 0.385 -19.011 -24.188 1.00 0.00 N ATOM 0 H LYS A 25 1.848 -13.886 -21.918 1.00 0.00 H new ATOM 0 HA LYS A 25 1.711 -14.871 -19.452 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.753 -16.344 -21.908 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.025 -17.094 -20.502 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.081 -15.691 -21.002 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.665 -15.279 -22.533 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.100 -18.128 -21.590 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.918 -17.223 -22.693 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.067 -17.020 -24.267 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.976 -18.060 -23.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.989 -19.306 -24.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.317 -19.786 -23.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.565 -18.779 -24.543 1.00 0.00 H new ATOM 398 N GLU A 26 4.870 -15.075 -20.408 1.00 0.00 N ATOM 399 CA GLU A 26 6.216 -15.252 -19.890 1.00 0.00 C ATOM 400 C GLU A 26 6.557 -14.219 -18.816 1.00 0.00 C ATOM 401 O GLU A 26 7.081 -14.582 -17.763 1.00 0.00 O ATOM 402 CB GLU A 26 7.228 -15.233 -21.039 1.00 0.00 C ATOM 403 CG GLU A 26 6.947 -16.384 -22.012 1.00 0.00 C ATOM 404 CD GLU A 26 8.015 -16.461 -23.097 1.00 0.00 C ATOM 405 OE1 GLU A 26 7.876 -15.705 -24.082 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.951 -17.269 -22.915 1.00 0.00 O ATOM 0 H GLU A 26 4.830 -14.824 -21.396 1.00 0.00 H new ATOM 0 HA GLU A 26 6.267 -16.226 -19.404 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.173 -14.280 -21.566 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.240 -15.321 -20.643 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.912 -17.326 -21.465 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.968 -16.245 -22.471 1.00 0.00 H new ATOM 413 N GLU A 27 6.257 -12.938 -19.057 1.00 0.00 N ATOM 414 CA GLU A 27 6.529 -11.923 -18.050 1.00 0.00 C ATOM 415 C GLU A 27 5.704 -12.236 -16.808 1.00 0.00 C ATOM 416 O GLU A 27 6.242 -12.264 -15.704 1.00 0.00 O ATOM 417 CB GLU A 27 6.181 -10.516 -18.544 1.00 0.00 C ATOM 418 CG GLU A 27 7.215 -9.909 -19.494 1.00 0.00 C ATOM 419 CD GLU A 27 7.224 -10.618 -20.843 1.00 0.00 C ATOM 420 OE1 GLU A 27 6.110 -10.809 -21.382 1.00 0.00 O ATOM 421 OE2 GLU A 27 8.330 -10.974 -21.299 1.00 0.00 O ATOM 0 H GLU A 27 5.837 -12.592 -19.919 1.00 0.00 H new ATOM 0 HA GLU A 27 7.596 -11.941 -17.828 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.216 -10.549 -19.049 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.067 -9.859 -17.682 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.998 -8.851 -19.640 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.205 -9.972 -19.043 1.00 0.00 H new ATOM 428 N LEU A 28 4.401 -12.467 -16.996 1.00 0.00 N ATOM 429 CA LEU A 28 3.502 -12.686 -15.876 1.00 0.00 C ATOM 430 C LEU A 28 3.981 -13.889 -15.079 1.00 0.00 C ATOM 431 O LEU A 28 4.137 -13.790 -13.868 1.00 0.00 O ATOM 432 CB LEU A 28 2.050 -12.869 -16.343 1.00 0.00 C ATOM 433 CG LEU A 28 1.095 -12.896 -15.133 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.652 -11.484 -14.746 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.130 -13.771 -15.397 1.00 0.00 C ATOM 0 H LEU A 28 3.954 -12.506 -17.912 1.00 0.00 H new ATOM 0 HA LEU A 28 3.515 -11.804 -15.236 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.773 -12.057 -17.015 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.957 -13.796 -16.908 1.00 0.00 H new ATOM 0 HG LEU A 28 1.651 -13.330 -14.302 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.021 -11.536 -13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.526 -10.887 -14.485 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.134 -11.022 -15.587 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.778 -13.764 -14.521 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.677 -13.382 -16.256 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.190 -14.792 -15.603 1.00 0.00 H new ATOM 447 N LYS A 29 4.237 -15.012 -15.752 1.00 0.00 N ATOM 448 CA LYS A 29 4.773 -16.194 -15.114 1.00 0.00 C ATOM 449 C LYS A 29 6.015 -15.834 -14.311 1.00 0.00 C ATOM 450 O LYS A 29 6.059 -16.082 -13.112 1.00 0.00 O ATOM 451 CB LYS A 29 5.109 -17.226 -16.195 1.00 0.00 C ATOM 452 CG LYS A 29 5.602 -18.564 -15.629 1.00 0.00 C ATOM 453 CD LYS A 29 6.097 -19.467 -16.766 1.00 0.00 C ATOM 454 CE LYS A 29 7.515 -19.091 -17.218 1.00 0.00 C ATOM 455 NZ LYS A 29 7.984 -19.977 -18.298 1.00 0.00 N ATOM 0 H LYS A 29 4.075 -15.118 -16.754 1.00 0.00 H new ATOM 0 HA LYS A 29 4.037 -16.615 -14.429 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.224 -17.403 -16.806 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.874 -16.815 -16.854 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.407 -18.391 -14.915 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.795 -19.058 -15.087 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.084 -20.506 -16.437 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.414 -19.393 -17.612 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.527 -18.057 -17.562 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.198 -19.154 -16.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.945 -19.699 -18.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.994 -20.961 -17.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.345 -19.898 -19.114 1.00 0.00 H new ATOM 469 N LEU A 30 7.022 -15.249 -14.960 1.00 0.00 N ATOM 470 CA LEU A 30 8.341 -15.081 -14.368 1.00 0.00 C ATOM 471 C LEU A 30 8.222 -14.196 -13.137 1.00 0.00 C ATOM 472 O LEU A 30 8.757 -14.508 -12.070 1.00 0.00 O ATOM 473 CB LEU A 30 9.305 -14.500 -15.411 1.00 0.00 C ATOM 474 CG LEU A 30 10.749 -14.364 -14.902 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.384 -15.724 -14.586 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.589 -13.653 -15.970 1.00 0.00 C ATOM 0 H LEU A 30 6.943 -14.881 -15.908 1.00 0.00 H new ATOM 0 HA LEU A 30 8.746 -16.043 -14.053 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.298 -15.137 -16.295 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.944 -13.520 -15.722 1.00 0.00 H new ATOM 0 HG LEU A 30 10.724 -13.788 -13.977 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.404 -15.576 -14.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.800 -16.228 -13.816 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.400 -16.336 -15.488 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.616 -13.552 -15.618 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.577 -14.237 -16.890 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.172 -12.664 -16.162 1.00 0.00 H new ATOM 488 N LEU A 31 7.462 -13.115 -13.296 1.00 0.00 N ATOM 489 CA LEU A 31 7.134 -12.201 -12.232 1.00 0.00 C ATOM 490 C LEU A 31 6.474 -12.998 -11.106 1.00 0.00 C ATOM 491 O LEU A 31 6.980 -13.002 -9.991 1.00 0.00 O ATOM 492 CB LEU A 31 6.296 -11.079 -12.858 1.00 0.00 C ATOM 493 CG LEU A 31 5.881 -9.925 -11.941 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.233 -8.819 -12.783 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.802 -10.393 -10.988 1.00 0.00 C ATOM 0 H LEU A 31 7.053 -12.854 -14.193 1.00 0.00 H new ATOM 0 HA LEU A 31 7.991 -11.717 -11.763 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.859 -10.662 -13.693 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.391 -11.523 -13.273 1.00 0.00 H new ATOM 0 HG LEU A 31 6.766 -9.575 -11.410 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.936 -7.995 -12.134 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.948 -8.459 -13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.354 -9.216 -13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.509 -9.569 -10.337 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.936 -10.731 -11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.183 -11.216 -10.383 1.00 0.00 H new ATOM 507 N LEU A 32 5.378 -13.708 -11.366 1.00 0.00 N ATOM 508 CA LEU A 32 4.689 -14.463 -10.327 1.00 0.00 C ATOM 509 C LEU A 32 5.611 -15.473 -9.645 1.00 0.00 C ATOM 510 O LEU A 32 5.574 -15.571 -8.422 1.00 0.00 O ATOM 511 CB LEU A 32 3.387 -15.089 -10.869 1.00 0.00 C ATOM 512 CG LEU A 32 2.146 -14.210 -10.646 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.374 -12.747 -11.017 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.008 -14.734 -11.516 1.00 0.00 C ATOM 0 H LEU A 32 4.949 -13.775 -12.289 1.00 0.00 H new ATOM 0 HA LEU A 32 4.394 -13.766 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.501 -15.279 -11.936 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.230 -16.055 -10.388 1.00 0.00 H new ATOM 0 HG LEU A 32 1.912 -14.258 -9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.461 -12.179 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.181 -12.339 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.643 -12.677 -12.071 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.122 -14.118 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.304 -14.695 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.784 -15.765 -11.240 1.00 0.00 H new ATOM 526 N GLN A 33 6.470 -16.186 -10.383 1.00 0.00 N ATOM 527 CA GLN A 33 7.350 -17.161 -9.750 1.00 0.00 C ATOM 528 C GLN A 33 8.294 -16.435 -8.790 1.00 0.00 C ATOM 529 O GLN A 33 8.456 -16.840 -7.641 1.00 0.00 O ATOM 530 CB GLN A 33 8.189 -17.985 -10.748 1.00 0.00 C ATOM 531 CG GLN A 33 7.532 -18.602 -11.993 1.00 0.00 C ATOM 532 CD GLN A 33 6.132 -19.174 -11.793 1.00 0.00 C ATOM 533 OE1 GLN A 33 5.976 -20.372 -11.586 1.00 0.00 O ATOM 534 NE2 GLN A 33 5.097 -18.348 -11.916 1.00 0.00 N ATOM 0 H GLN A 33 6.570 -16.106 -11.395 1.00 0.00 H new ATOM 0 HA GLN A 33 6.705 -17.866 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.998 -17.343 -11.096 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.647 -18.800 -10.188 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.484 -17.840 -12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.179 -19.397 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.255 -17.355 -12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.146 -18.707 -11.838 1.00 0.00 H new ATOM 543 N THR A 34 8.935 -15.376 -9.288 1.00 0.00 N ATOM 544 CA THR A 34 9.992 -14.686 -8.566 1.00 0.00 C ATOM 545 C THR A 34 9.415 -13.931 -7.369 1.00 0.00 C ATOM 546 O THR A 34 9.912 -14.047 -6.251 1.00 0.00 O ATOM 547 CB THR A 34 10.739 -13.751 -9.530 1.00 0.00 C ATOM 548 OG1 THR A 34 11.138 -14.472 -10.679 1.00 0.00 O ATOM 549 CG2 THR A 34 11.993 -13.156 -8.883 1.00 0.00 C ATOM 0 H THR A 34 8.732 -14.977 -10.204 1.00 0.00 H new ATOM 0 HA THR A 34 10.705 -15.410 -8.173 1.00 0.00 H new ATOM 0 HB THR A 34 10.057 -12.942 -9.793 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.378 -14.556 -11.293 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.494 -12.501 -9.595 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.710 -12.583 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.669 -13.960 -8.592 1.00 0.00 H new ATOM 557 N GLU A 35 8.379 -13.128 -7.613 1.00 0.00 N ATOM 558 CA GLU A 35 7.811 -12.225 -6.632 1.00 0.00 C ATOM 559 C GLU A 35 6.850 -12.963 -5.700 1.00 0.00 C ATOM 560 O GLU A 35 6.819 -12.659 -4.508 1.00 0.00 O ATOM 561 CB GLU A 35 7.115 -11.052 -7.340 1.00 0.00 C ATOM 562 CG GLU A 35 7.960 -10.369 -8.432 1.00 0.00 C ATOM 563 CD GLU A 35 9.355 -9.947 -7.989 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.462 -9.378 -6.882 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.288 -10.181 -8.792 1.00 0.00 O ATOM 0 H GLU A 35 7.908 -13.092 -8.517 1.00 0.00 H new ATOM 0 HA GLU A 35 8.616 -11.825 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.189 -11.413 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.839 -10.307 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.053 -11.049 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.425 -9.489 -8.788 1.00 0.00 H new ATOM 572 N PHE A 36 6.047 -13.905 -6.220 1.00 0.00 N ATOM 573 CA PHE A 36 4.958 -14.519 -5.470 1.00 0.00 C ATOM 574 C PHE A 36 5.058 -16.048 -5.525 1.00 0.00 C ATOM 575 O PHE A 36 4.160 -16.685 -6.085 1.00 0.00 O ATOM 576 CB PHE A 36 3.625 -14.023 -6.056 1.00 0.00 C ATOM 577 CG PHE A 36 3.481 -12.512 -6.165 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.904 -11.671 -5.117 1.00 0.00 C ATOM 579 CD2 PHE A 36 2.966 -11.936 -7.343 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.975 -10.281 -5.313 1.00 0.00 C ATOM 581 CE2 PHE A 36 2.994 -10.543 -7.522 1.00 0.00 C ATOM 582 CZ PHE A 36 3.563 -9.726 -6.535 1.00 0.00 C ATOM 0 H PHE A 36 6.141 -14.257 -7.173 1.00 0.00 H new ATOM 0 HA PHE A 36 5.019 -14.233 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.501 -14.455 -7.049 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.812 -14.405 -5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.174 -12.095 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.548 -12.568 -8.112 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.346 -9.641 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.579 -10.103 -8.417 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.685 -8.668 -6.715 1.00 0.00 H new ATOM 592 N PRO A 37 6.109 -16.647 -4.929 1.00 0.00 N ATOM 593 CA PRO A 37 6.370 -18.083 -4.958 1.00 0.00 C ATOM 594 C PRO A 37 5.294 -18.861 -4.186 1.00 0.00 C ATOM 595 O PRO A 37 5.508 -19.325 -3.071 1.00 0.00 O ATOM 596 CB PRO A 37 7.778 -18.259 -4.374 1.00 0.00 C ATOM 597 CG PRO A 37 7.916 -17.060 -3.439 1.00 0.00 C ATOM 598 CD PRO A 37 7.175 -15.966 -4.205 1.00 0.00 C ATOM 0 HA PRO A 37 6.327 -18.489 -5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.877 -19.203 -3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.541 -18.253 -5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.467 -17.250 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.960 -16.799 -3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.770 -15.217 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.844 -15.446 -4.890 1.00 0.00 H new ATOM 606 N SER A 38 4.121 -18.973 -4.809 1.00 0.00 N ATOM 607 CA SER A 38 2.866 -19.537 -4.330 1.00 0.00 C ATOM 608 C SER A 38 1.842 -19.453 -5.468 1.00 0.00 C ATOM 609 O SER A 38 1.123 -20.415 -5.734 1.00 0.00 O ATOM 610 CB SER A 38 2.340 -18.773 -3.105 1.00 0.00 C ATOM 611 OG SER A 38 3.044 -19.131 -1.933 1.00 0.00 O ATOM 0 H SER A 38 4.020 -18.633 -5.765 1.00 0.00 H new ATOM 0 HA SER A 38 3.030 -20.572 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.435 -17.700 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.279 -18.982 -2.972 1.00 0.00 H new ATOM 0 HG SER A 38 4.005 -19.160 -2.124 1.00 0.00 H new ATOM 617 N LEU A 39 1.788 -18.315 -6.175 1.00 0.00 N ATOM 618 CA LEU A 39 0.847 -18.090 -7.270 1.00 0.00 C ATOM 619 C LEU A 39 1.315 -18.788 -8.556 1.00 0.00 C ATOM 620 O LEU A 39 1.502 -18.156 -9.593 1.00 0.00 O ATOM 621 CB LEU A 39 0.637 -16.582 -7.476 1.00 0.00 C ATOM 622 CG LEU A 39 0.153 -15.851 -6.211 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.048 -14.368 -6.534 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.164 -16.421 -5.666 1.00 0.00 C ATOM 0 H LEU A 39 2.403 -17.521 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.114 -18.532 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.574 -16.135 -7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.090 -16.430 -8.274 1.00 0.00 H new ATOM 0 HG LEU A 39 0.916 -15.989 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.391 -13.844 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.896 -13.937 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.792 -14.265 -7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.458 -15.868 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.942 -16.328 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.028 -17.472 -5.413 1.00 0.00 H new ATOM 636 N LEU A 40 1.478 -20.109 -8.478 1.00 0.00 N ATOM 637 CA LEU A 40 1.803 -20.989 -9.592 1.00 0.00 C ATOM 638 C LEU A 40 1.348 -22.410 -9.264 1.00 0.00 C ATOM 639 O LEU A 40 2.040 -23.380 -9.568 1.00 0.00 O ATOM 640 CB LEU A 40 3.293 -20.911 -9.974 1.00 0.00 C ATOM 641 CG LEU A 40 4.365 -20.980 -8.864 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.571 -19.626 -8.183 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.152 -22.066 -7.802 1.00 0.00 C ATOM 0 H LEU A 40 1.382 -20.613 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 40 1.262 -20.656 -10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.494 -21.722 -10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.443 -19.977 -10.516 1.00 0.00 H new ATOM 0 HG LEU A 40 5.267 -21.267 -9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.333 -19.720 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.893 -18.892 -8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.634 -19.299 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.961 -22.025 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.200 -21.900 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.143 -23.046 -8.280 1.00 0.00 H new ATOM 655 N LYS A 41 0.178 -22.526 -8.628 1.00 0.00 N ATOM 656 CA LYS A 41 -0.360 -23.765 -8.086 1.00 0.00 C ATOM 657 C LYS A 41 -0.594 -24.797 -9.197 1.00 0.00 C ATOM 658 O LYS A 41 -1.717 -24.970 -9.670 1.00 0.00 O ATOM 659 CB LYS A 41 -1.647 -23.442 -7.313 1.00 0.00 C ATOM 660 CG LYS A 41 -2.163 -24.648 -6.510 1.00 0.00 C ATOM 661 CD LYS A 41 -3.647 -24.496 -6.146 1.00 0.00 C ATOM 662 CE LYS A 41 -4.573 -25.167 -7.174 1.00 0.00 C ATOM 663 NZ LYS A 41 -4.391 -24.641 -8.539 1.00 0.00 N ATOM 0 H LYS A 41 -0.438 -21.728 -8.474 1.00 0.00 H new ATOM 0 HA LYS A 41 0.358 -24.215 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.462 -22.609 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.417 -23.118 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.023 -25.559 -7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.574 -24.757 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.824 -24.932 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.894 -23.437 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.387 -26.241 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.610 -25.023 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.075 -25.093 -9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.545 -23.612 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.425 -24.846 -8.864 1.00 0.00 H new ATOM 677 N GLY A 42 0.476 -25.475 -9.612 1.00 0.00 N ATOM 678 CA GLY A 42 0.468 -26.524 -10.624 1.00 0.00 C ATOM 679 C GLY A 42 1.138 -26.104 -11.935 1.00 0.00 C ATOM 680 O GLY A 42 1.084 -26.866 -12.898 1.00 0.00 O ATOM 0 H GLY A 42 1.408 -25.299 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.976 -27.404 -10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.562 -26.815 -10.827 1.00 0.00 H new ATOM 684 N MET A 43 1.780 -24.927 -11.974 1.00 0.00 N ATOM 685 CA MET A 43 2.550 -24.399 -13.098 1.00 0.00 C ATOM 686 C MET A 43 1.706 -24.196 -14.365 1.00 0.00 C ATOM 687 O MET A 43 1.438 -23.061 -14.753 1.00 0.00 O ATOM 688 CB MET A 43 3.806 -25.251 -13.340 1.00 0.00 C ATOM 689 CG MET A 43 4.755 -24.585 -14.344 1.00 0.00 C ATOM 690 SD MET A 43 6.304 -25.482 -14.616 1.00 0.00 S ATOM 691 CE MET A 43 7.095 -24.381 -15.809 1.00 0.00 C ATOM 0 H MET A 43 1.773 -24.289 -11.179 1.00 0.00 H new ATOM 0 HA MET A 43 2.882 -23.397 -12.825 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.327 -25.409 -12.396 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.514 -26.233 -13.711 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.239 -24.478 -15.298 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.988 -23.580 -13.993 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.068 -24.785 -16.088 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.469 -24.297 -16.697 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.226 -23.395 -15.363 1.00 0.00 H new ATOM 701 N SER A 44 1.290 -25.281 -15.020 1.00 0.00 N ATOM 702 CA SER A 44 0.476 -25.281 -16.229 1.00 0.00 C ATOM 703 C SER A 44 -0.797 -24.447 -16.054 1.00 0.00 C ATOM 704 O SER A 44 -1.274 -23.815 -16.997 1.00 0.00 O ATOM 705 CB SER A 44 0.130 -26.732 -16.573 1.00 0.00 C ATOM 706 OG SER A 44 1.312 -27.510 -16.527 1.00 0.00 O ATOM 0 H SER A 44 1.523 -26.223 -14.706 1.00 0.00 H new ATOM 0 HA SER A 44 1.040 -24.825 -17.042 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.605 -27.121 -15.868 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.319 -26.787 -17.565 1.00 0.00 H new ATOM 0 HG SER A 44 1.099 -28.442 -16.744 1.00 0.00 H new ATOM 712 N THR A 45 -1.321 -24.407 -14.826 1.00 0.00 N ATOM 713 CA THR A 45 -2.428 -23.565 -14.408 1.00 0.00 C ATOM 714 C THR A 45 -2.211 -22.081 -14.732 1.00 0.00 C ATOM 715 O THR A 45 -3.182 -21.328 -14.729 1.00 0.00 O ATOM 716 CB THR A 45 -2.667 -23.808 -12.913 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.433 -24.119 -12.289 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.607 -25.001 -12.721 1.00 0.00 C ATOM 0 H THR A 45 -0.964 -24.989 -14.068 1.00 0.00 H new ATOM 0 HA THR A 45 -3.318 -23.838 -14.975 1.00 0.00 H new ATOM 0 HB THR A 45 -3.107 -22.912 -12.476 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.601 -24.487 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.772 -25.167 -11.656 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.560 -24.795 -13.208 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.159 -25.892 -13.162 1.00 0.00 H new ATOM 726 N LEU A 46 -0.982 -21.656 -15.059 1.00 0.00 N ATOM 727 CA LEU A 46 -0.711 -20.341 -15.625 1.00 0.00 C ATOM 728 C LEU A 46 -1.691 -20.072 -16.760 1.00 0.00 C ATOM 729 O LEU A 46 -2.174 -18.957 -16.889 1.00 0.00 O ATOM 730 CB LEU A 46 0.722 -20.268 -16.174 1.00 0.00 C ATOM 731 CG LEU A 46 1.053 -18.919 -16.851 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.340 -17.834 -15.807 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.267 -19.114 -17.763 1.00 0.00 C ATOM 0 H LEU A 46 -0.145 -22.226 -14.934 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.825 -19.594 -14.839 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.425 -20.438 -15.358 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.868 -21.073 -16.894 1.00 0.00 H new ATOM 0 HG LEU A 46 0.195 -18.591 -17.438 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.570 -16.895 -16.311 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.464 -17.700 -15.172 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.190 -18.134 -15.194 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.513 -18.170 -18.248 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.118 -19.449 -17.170 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.036 -19.862 -18.521 1.00 0.00 H new ATOM 745 N ASP A 47 -1.983 -21.078 -17.588 1.00 0.00 N ATOM 746 CA ASP A 47 -2.949 -20.939 -18.666 1.00 0.00 C ATOM 747 C ASP A 47 -4.276 -20.387 -18.136 1.00 0.00 C ATOM 748 O ASP A 47 -4.765 -19.361 -18.607 1.00 0.00 O ATOM 749 CB ASP A 47 -3.139 -22.304 -19.331 1.00 0.00 C ATOM 750 CG ASP A 47 -4.195 -22.233 -20.429 1.00 0.00 C ATOM 751 OD1 ASP A 47 -3.834 -21.770 -21.532 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.343 -22.635 -20.139 1.00 0.00 O ATOM 0 H ASP A 47 -1.557 -22.003 -17.526 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.580 -20.228 -19.405 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.193 -22.642 -19.753 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.436 -23.039 -18.583 1.00 0.00 H new ATOM 757 N GLU A 48 -4.838 -21.061 -17.133 1.00 0.00 N ATOM 758 CA GLU A 48 -6.109 -20.692 -16.531 1.00 0.00 C ATOM 759 C GLU A 48 -5.990 -19.318 -15.875 1.00 0.00 C ATOM 760 O GLU A 48 -6.819 -18.438 -16.105 1.00 0.00 O ATOM 761 CB GLU A 48 -6.505 -21.771 -15.517 1.00 0.00 C ATOM 762 CG GLU A 48 -7.876 -21.512 -14.879 1.00 0.00 C ATOM 763 CD GLU A 48 -8.261 -22.633 -13.916 1.00 0.00 C ATOM 764 OE1 GLU A 48 -7.413 -22.961 -13.057 1.00 0.00 O ATOM 765 OE2 GLU A 48 -9.390 -23.148 -14.062 1.00 0.00 O ATOM 0 H GLU A 48 -4.414 -21.889 -16.714 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.888 -20.627 -17.291 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.517 -22.742 -16.012 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.749 -21.822 -14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.857 -20.562 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.632 -21.425 -15.659 1.00 0.00 H new ATOM 772 N LEU A 49 -4.953 -19.136 -15.054 1.00 0.00 N ATOM 773 CA LEU A 49 -4.732 -17.895 -14.334 1.00 0.00 C ATOM 774 C LEU A 49 -4.678 -16.732 -15.323 1.00 0.00 C ATOM 775 O LEU A 49 -5.434 -15.774 -15.199 1.00 0.00 O ATOM 776 CB LEU A 49 -3.460 -18.001 -13.484 1.00 0.00 C ATOM 777 CG LEU A 49 -3.178 -16.744 -12.642 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.333 -16.415 -11.688 1.00 0.00 C ATOM 779 CD2 LEU A 49 -1.899 -16.967 -11.828 1.00 0.00 C ATOM 0 H LEU A 49 -4.247 -19.850 -14.875 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.559 -17.706 -13.650 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.547 -18.861 -12.820 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.609 -18.188 -14.139 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.064 -15.902 -13.325 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.088 -15.521 -11.115 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.242 -16.240 -12.264 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.491 -17.251 -11.006 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.691 -16.081 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.031 -17.827 -11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.065 -17.151 -12.505 1.00 0.00 H new ATOM 791 N PHE A 50 -3.817 -16.826 -16.336 1.00 0.00 N ATOM 792 CA PHE A 50 -3.731 -15.835 -17.392 1.00 0.00 C ATOM 793 C PHE A 50 -5.101 -15.641 -18.039 1.00 0.00 C ATOM 794 O PHE A 50 -5.525 -14.507 -18.228 1.00 0.00 O ATOM 795 CB PHE A 50 -2.673 -16.231 -18.428 1.00 0.00 C ATOM 796 CG PHE A 50 -2.092 -15.048 -19.179 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.759 -14.491 -20.286 1.00 0.00 C ATOM 798 CD2 PHE A 50 -0.889 -14.473 -18.732 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.183 -13.410 -20.979 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.340 -13.368 -19.401 1.00 0.00 C ATOM 801 CZ PHE A 50 -0.944 -12.889 -20.569 1.00 0.00 C ATOM 0 H PHE A 50 -3.159 -17.598 -16.442 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.421 -14.884 -16.958 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.866 -16.765 -17.926 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.117 -16.923 -19.143 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.710 -14.892 -20.603 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.385 -14.884 -17.870 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.694 -12.980 -21.828 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.547 -12.888 -19.015 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.459 -12.121 -21.154 1.00 0.00 H new ATOM 811 N GLU A 51 -5.807 -16.730 -18.363 1.00 0.00 N ATOM 812 CA GLU A 51 -7.114 -16.638 -18.999 1.00 0.00 C ATOM 813 C GLU A 51 -8.092 -15.799 -18.171 1.00 0.00 C ATOM 814 O GLU A 51 -8.796 -14.954 -18.719 1.00 0.00 O ATOM 815 CB GLU A 51 -7.656 -18.044 -19.297 1.00 0.00 C ATOM 816 CG GLU A 51 -8.930 -18.008 -20.150 1.00 0.00 C ATOM 817 CD GLU A 51 -9.410 -19.419 -20.482 1.00 0.00 C ATOM 818 OE1 GLU A 51 -9.789 -20.127 -19.524 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.384 -19.763 -21.683 1.00 0.00 O ATOM 0 H GLU A 51 -5.489 -17.684 -18.192 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.000 -16.116 -19.949 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.891 -18.624 -19.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.864 -18.557 -18.358 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.714 -17.470 -19.616 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.738 -17.459 -21.072 1.00 0.00 H new ATOM 826 N GLU A 52 -8.150 -16.031 -16.858 1.00 0.00 N ATOM 827 CA GLU A 52 -9.106 -15.332 -16.001 1.00 0.00 C ATOM 828 C GLU A 52 -8.639 -13.901 -15.717 1.00 0.00 C ATOM 829 O GLU A 52 -9.449 -12.981 -15.628 1.00 0.00 O ATOM 830 CB GLU A 52 -9.414 -16.139 -14.728 1.00 0.00 C ATOM 831 CG GLU A 52 -8.239 -16.282 -13.760 1.00 0.00 C ATOM 832 CD GLU A 52 -8.601 -17.136 -12.551 1.00 0.00 C ATOM 833 OE1 GLU A 52 -9.375 -16.629 -11.711 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.098 -18.279 -12.488 1.00 0.00 O ATOM 0 H GLU A 52 -7.549 -16.694 -16.368 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.053 -15.246 -16.534 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.242 -15.662 -14.204 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.751 -17.134 -15.018 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.392 -16.729 -14.280 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.922 -15.294 -13.425 1.00 0.00 H new ATOM 841 N LEU A 53 -7.328 -13.722 -15.556 1.00 0.00 N ATOM 842 CA LEU A 53 -6.689 -12.451 -15.244 1.00 0.00 C ATOM 843 C LEU A 53 -6.812 -11.492 -16.432 1.00 0.00 C ATOM 844 O LEU A 53 -7.147 -10.320 -16.260 1.00 0.00 O ATOM 845 CB LEU A 53 -5.225 -12.760 -14.902 1.00 0.00 C ATOM 846 CG LEU A 53 -4.416 -11.684 -14.173 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.005 -12.258 -13.977 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.337 -10.344 -14.903 1.00 0.00 C ATOM 0 H LEU A 53 -6.661 -14.488 -15.643 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.168 -11.957 -14.399 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.208 -13.662 -14.291 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.707 -12.995 -15.832 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.919 -11.457 -13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.384 -11.527 -13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.063 -13.171 -13.384 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.566 -12.484 -14.949 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.745 -9.643 -14.314 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.867 -10.487 -15.876 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.342 -9.945 -15.040 1.00 0.00 H new ATOM 860 N ASP A 54 -6.512 -11.979 -17.638 1.00 0.00 N ATOM 861 CA ASP A 54 -6.362 -11.176 -18.844 1.00 0.00 C ATOM 862 C ASP A 54 -7.732 -10.779 -19.405 1.00 0.00 C ATOM 863 O ASP A 54 -8.129 -11.181 -20.498 1.00 0.00 O ATOM 864 CB ASP A 54 -5.520 -11.965 -19.859 1.00 0.00 C ATOM 865 CG ASP A 54 -4.975 -11.129 -21.014 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.438 -10.044 -20.711 1.00 0.00 O ATOM 867 OD2 ASP A 54 -5.010 -11.620 -22.167 1.00 0.00 O ATOM 0 H ASP A 54 -6.363 -12.975 -17.803 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.843 -10.245 -18.615 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.683 -12.428 -19.336 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.128 -12.773 -20.267 1.00 0.00 H new ATOM 872 N LYS A 55 -8.470 -9.985 -18.635 1.00 0.00 N ATOM 873 CA LYS A 55 -9.787 -9.472 -18.983 1.00 0.00 C ATOM 874 C LYS A 55 -9.651 -8.337 -20.005 1.00 0.00 C ATOM 875 O LYS A 55 -9.875 -7.176 -19.665 1.00 0.00 O ATOM 876 CB LYS A 55 -10.518 -9.019 -17.709 1.00 0.00 C ATOM 877 CG LYS A 55 -10.697 -10.175 -16.718 1.00 0.00 C ATOM 878 CD LYS A 55 -11.536 -9.729 -15.516 1.00 0.00 C ATOM 879 CE LYS A 55 -11.651 -10.876 -14.507 1.00 0.00 C ATOM 880 NZ LYS A 55 -12.469 -10.492 -13.344 1.00 0.00 N ATOM 0 H LYS A 55 -8.153 -9.671 -17.718 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.384 -10.258 -19.445 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.956 -8.215 -17.233 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.494 -8.612 -17.974 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.182 -11.016 -17.215 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.722 -10.524 -16.378 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.077 -8.861 -15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.528 -9.423 -15.847 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.093 -11.746 -14.993 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.656 -11.169 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.526 -11.291 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.033 -9.677 -12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.426 -10.236 -13.662 1.00 0.00 H new ATOM 894 N ALA A 56 -9.278 -8.704 -21.236 1.00 0.00 N ATOM 895 CA ALA A 56 -8.897 -7.887 -22.389 1.00 0.00 C ATOM 896 C ALA A 56 -7.451 -8.271 -22.698 1.00 0.00 C ATOM 897 O ALA A 56 -7.125 -9.450 -22.585 1.00 0.00 O ATOM 898 CB ALA A 56 -9.108 -6.375 -22.196 1.00 0.00 C ATOM 0 H ALA A 56 -9.231 -9.695 -21.473 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.551 -8.093 -23.236 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.800 -5.847 -23.098 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.162 -6.177 -22.001 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.512 -6.029 -21.352 1.00 0.00 H new ATOM 904 N GLY A 57 -6.579 -7.325 -23.064 1.00 0.00 N ATOM 905 CA GLY A 57 -5.143 -7.568 -23.149 1.00 0.00 C ATOM 906 C GLY A 57 -4.716 -8.359 -24.388 1.00 0.00 C ATOM 907 O GLY A 57 -3.852 -7.912 -25.138 1.00 0.00 O ATOM 0 H GLY A 57 -6.852 -6.373 -23.308 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.622 -6.610 -23.145 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.823 -8.108 -22.258 1.00 0.00 H new ATOM 911 N ASP A 58 -5.320 -9.533 -24.604 1.00 0.00 N ATOM 912 CA ASP A 58 -5.118 -10.421 -25.740 1.00 0.00 C ATOM 913 C ASP A 58 -3.708 -11.007 -25.717 1.00 0.00 C ATOM 914 O ASP A 58 -2.889 -10.735 -26.591 1.00 0.00 O ATOM 915 CB ASP A 58 -5.462 -9.728 -27.070 1.00 0.00 C ATOM 916 CG ASP A 58 -5.373 -10.681 -28.262 1.00 0.00 C ATOM 917 OD1 ASP A 58 -5.619 -11.890 -28.054 1.00 0.00 O ATOM 918 OD2 ASP A 58 -5.085 -10.178 -29.369 1.00 0.00 O ATOM 0 H ASP A 58 -6.004 -9.906 -23.946 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.812 -11.257 -25.655 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.469 -9.316 -27.012 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.783 -8.890 -27.226 1.00 0.00 H new ATOM 923 N GLY A 59 -3.428 -11.827 -24.700 1.00 0.00 N ATOM 924 CA GLY A 59 -2.140 -12.499 -24.578 1.00 0.00 C ATOM 925 C GLY A 59 -1.096 -11.624 -23.882 1.00 0.00 C ATOM 926 O GLY A 59 0.060 -12.034 -23.755 1.00 0.00 O ATOM 0 H GLY A 59 -4.083 -12.039 -23.948 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.267 -13.425 -24.018 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.779 -12.773 -25.570 1.00 0.00 H new ATOM 930 N GLU A 60 -1.500 -10.439 -23.406 1.00 0.00 N ATOM 931 CA GLU A 60 -0.652 -9.507 -22.688 1.00 0.00 C ATOM 932 C GLU A 60 -1.478 -8.805 -21.607 1.00 0.00 C ATOM 933 O GLU A 60 -2.445 -8.125 -21.927 1.00 0.00 O ATOM 934 CB GLU A 60 -0.065 -8.473 -23.655 1.00 0.00 C ATOM 935 CG GLU A 60 0.753 -9.045 -24.821 1.00 0.00 C ATOM 936 CD GLU A 60 1.377 -7.936 -25.671 1.00 0.00 C ATOM 937 OE1 GLU A 60 1.520 -6.810 -25.142 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.695 -8.234 -26.841 1.00 0.00 O ATOM 0 H GLU A 60 -2.456 -10.102 -23.519 1.00 0.00 H new ATOM 0 HA GLU A 60 0.170 -10.051 -22.222 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.883 -7.880 -24.065 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.570 -7.792 -23.089 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.539 -9.691 -24.431 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.111 -9.665 -25.446 1.00 0.00 H new ATOM 945 N VAL A 61 -1.072 -8.925 -20.343 1.00 0.00 N ATOM 946 CA VAL A 61 -1.773 -8.395 -19.185 1.00 0.00 C ATOM 947 C VAL A 61 -1.316 -6.955 -18.938 1.00 0.00 C ATOM 948 O VAL A 61 -0.145 -6.716 -18.639 1.00 0.00 O ATOM 949 CB VAL A 61 -1.477 -9.312 -17.979 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.887 -8.690 -16.640 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.237 -10.631 -18.149 1.00 0.00 C ATOM 0 H VAL A 61 -0.212 -9.414 -20.094 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.851 -8.375 -19.347 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.399 -9.469 -17.958 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.654 -9.382 -15.831 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.341 -7.758 -16.489 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.958 -8.486 -16.646 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.031 -11.282 -17.299 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.307 -10.430 -18.201 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.915 -11.121 -19.068 1.00 0.00 H new ATOM 961 N SER A 62 -2.238 -5.998 -19.070 1.00 0.00 N ATOM 962 CA SER A 62 -2.016 -4.596 -18.733 1.00 0.00 C ATOM 963 C SER A 62 -1.989 -4.393 -17.224 1.00 0.00 C ATOM 964 O SER A 62 -2.451 -5.244 -16.470 1.00 0.00 O ATOM 965 CB SER A 62 -3.082 -3.736 -19.417 1.00 0.00 C ATOM 966 OG SER A 62 -4.356 -4.044 -18.883 1.00 0.00 O ATOM 0 H SER A 62 -3.177 -6.183 -19.421 1.00 0.00 H new ATOM 0 HA SER A 62 -1.039 -4.283 -19.101 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.861 -2.679 -19.269 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.074 -3.916 -20.492 1.00 0.00 H new ATOM 0 HG SER A 62 -4.647 -4.919 -19.214 1.00 0.00 H new ATOM 972 N PHE A 63 -1.456 -3.250 -16.782 1.00 0.00 N ATOM 973 CA PHE A 63 -1.412 -2.898 -15.368 1.00 0.00 C ATOM 974 C PHE A 63 -2.818 -2.970 -14.766 1.00 0.00 C ATOM 975 O PHE A 63 -3.007 -3.484 -13.664 1.00 0.00 O ATOM 976 CB PHE A 63 -0.786 -1.508 -15.196 1.00 0.00 C ATOM 977 CG PHE A 63 -0.643 -1.078 -13.750 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.292 -1.720 -12.918 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.486 -0.082 -13.218 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.363 -1.385 -11.553 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.376 0.285 -11.865 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.452 -0.367 -11.033 1.00 0.00 C ATOM 0 H PHE A 63 -1.045 -2.547 -17.396 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.787 -3.612 -14.831 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.197 -1.502 -15.666 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.397 -0.776 -15.724 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.954 -2.469 -13.326 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.217 0.400 -13.850 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.046 -1.912 -10.904 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.003 1.069 -11.466 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.368 -0.086 -9.994 1.00 0.00 H new ATOM 992 N GLU A 64 -3.811 -2.491 -15.519 1.00 0.00 N ATOM 993 CA GLU A 64 -5.213 -2.532 -15.129 1.00 0.00 C ATOM 994 C GLU A 64 -5.664 -3.966 -14.868 1.00 0.00 C ATOM 995 O GLU A 64 -6.221 -4.255 -13.811 1.00 0.00 O ATOM 996 CB GLU A 64 -6.070 -1.871 -16.216 1.00 0.00 C ATOM 997 CG GLU A 64 -5.715 -0.388 -16.397 1.00 0.00 C ATOM 998 CD GLU A 64 -6.569 0.248 -17.488 1.00 0.00 C ATOM 999 OE1 GLU A 64 -7.722 0.609 -17.168 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -6.054 0.351 -18.622 1.00 0.00 O ATOM 0 H GLU A 64 -3.656 -2.058 -16.430 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.339 -1.977 -14.199 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.929 -2.397 -17.160 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.124 -1.963 -15.954 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.865 0.143 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.660 -0.291 -16.653 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.410 -4.872 -15.816 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.762 -6.271 -15.630 1.00 0.00 C ATOM 1009 C GLU A 65 -5.003 -6.820 -14.421 1.00 0.00 C ATOM 1010 O GLU A 65 -5.576 -7.473 -13.554 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.448 -7.043 -16.913 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.398 -6.622 -18.041 1.00 0.00 C ATOM 1013 CD GLU A 65 -5.895 -7.119 -19.387 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.897 -6.533 -19.860 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.506 -8.074 -19.906 1.00 0.00 O ATOM 0 H GLU A 65 -4.966 -4.659 -16.709 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.828 -6.382 -15.431 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.416 -6.859 -17.211 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.541 -8.114 -16.732 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.394 -7.021 -17.851 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.488 -5.536 -18.060 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.711 -6.504 -14.334 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.857 -6.899 -13.229 1.00 0.00 C ATOM 1024 C PHE A 66 -3.474 -6.513 -11.884 1.00 0.00 C ATOM 1025 O PHE A 66 -3.467 -7.323 -10.961 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.449 -6.330 -13.416 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.413 -6.979 -12.528 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.137 -8.224 -12.881 1.00 0.00 C ATOM 1029 CD2 PHE A 66 -0.003 -6.340 -11.345 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.134 -8.804 -12.081 1.00 0.00 C ATOM 1031 CE2 PHE A 66 0.970 -6.937 -10.530 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.556 -8.157 -10.909 1.00 0.00 C ATOM 0 H PHE A 66 -3.226 -5.957 -15.045 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.770 -7.986 -13.224 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.152 -6.453 -14.457 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.469 -5.259 -13.215 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.208 -8.734 -13.768 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.436 -5.391 -11.064 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.576 -9.747 -12.367 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.270 -6.458 -9.609 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.331 -8.597 -10.299 1.00 0.00 H new ATOM 1042 N GLN A 67 -4.062 -5.317 -11.764 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.736 -4.922 -10.527 1.00 0.00 C ATOM 1044 C GLN A 67 -5.768 -5.962 -10.078 1.00 0.00 C ATOM 1045 O GLN A 67 -5.922 -6.185 -8.878 1.00 0.00 O ATOM 1046 CB GLN A 67 -5.401 -3.538 -10.611 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.474 -2.368 -10.961 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.104 -2.480 -10.303 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -2.914 -2.069 -9.163 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -2.139 -3.047 -11.015 1.00 0.00 N ATOM 0 H GLN A 67 -4.084 -4.613 -12.502 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.943 -4.862 -9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.195 -3.583 -11.357 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.875 -3.326 -9.653 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.349 -2.321 -12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.944 -1.434 -10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.330 -3.378 -11.961 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.206 -3.152 -10.617 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.463 -6.615 -11.015 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.384 -7.693 -10.665 1.00 0.00 C ATOM 1061 C VAL A 68 -6.639 -8.796 -9.900 1.00 0.00 C ATOM 1062 O VAL A 68 -7.152 -9.320 -8.914 1.00 0.00 O ATOM 1063 CB VAL A 68 -8.116 -8.239 -11.907 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.193 -9.253 -11.501 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.792 -7.108 -12.699 1.00 0.00 C ATOM 0 H VAL A 68 -6.404 -6.416 -12.014 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.155 -7.291 -10.007 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.365 -8.722 -12.532 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.697 -9.625 -12.393 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.728 -10.085 -10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.920 -8.770 -10.849 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.299 -7.526 -13.569 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.519 -6.602 -12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.038 -6.393 -13.028 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.413 -9.129 -10.318 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.568 -10.041 -9.561 1.00 0.00 C ATOM 1077 C LEU A 69 -4.182 -9.397 -8.228 1.00 0.00 C ATOM 1078 O LEU A 69 -4.253 -10.052 -7.192 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.322 -10.441 -10.364 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.562 -11.611 -9.712 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -3.243 -12.958 -9.982 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -1.123 -11.651 -10.230 1.00 0.00 C ATOM 0 H LEU A 69 -4.990 -8.778 -11.177 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.129 -10.954 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.618 -10.720 -11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.657 -9.582 -10.452 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.565 -11.445 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.674 -13.756 -9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.255 -12.942 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.285 -13.136 -11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.592 -12.481 -9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.129 -11.785 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.621 -10.715 -9.983 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.771 -8.123 -8.233 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.344 -7.447 -7.009 1.00 0.00 C ATOM 1096 C VAL A 70 -4.412 -7.555 -5.911 1.00 0.00 C ATOM 1097 O VAL A 70 -4.087 -7.830 -4.756 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.910 -5.992 -7.252 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.432 -5.348 -5.942 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.754 -5.922 -8.260 1.00 0.00 C ATOM 0 H VAL A 70 -3.726 -7.543 -9.071 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.454 -7.969 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.776 -5.459 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.129 -4.319 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.243 -5.359 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.584 -5.909 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.467 -4.882 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.901 -6.481 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.072 -6.354 -9.209 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.687 -7.381 -6.269 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.793 -7.573 -5.334 1.00 0.00 C ATOM 1112 C LYS A 71 -6.720 -8.940 -4.638 1.00 0.00 C ATOM 1113 O LYS A 71 -7.064 -9.047 -3.465 1.00 0.00 O ATOM 1114 CB LYS A 71 -8.139 -7.401 -6.051 1.00 0.00 C ATOM 1115 CG LYS A 71 -8.350 -5.960 -6.529 1.00 0.00 C ATOM 1116 CD LYS A 71 -9.626 -5.865 -7.375 1.00 0.00 C ATOM 1117 CE LYS A 71 -9.754 -4.495 -8.053 1.00 0.00 C ATOM 1118 NZ LYS A 71 -8.720 -4.293 -9.085 1.00 0.00 N ATOM 0 H LYS A 71 -5.978 -7.106 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.707 -6.809 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.185 -8.077 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.948 -7.682 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.423 -5.291 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.491 -5.634 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.619 -6.648 -8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.496 -6.041 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.741 -4.405 -8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.675 -3.709 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.975 -3.476 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.803 -4.117 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.652 -5.143 -9.680 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.269 -9.981 -5.348 1.00 0.00 N ATOM 1133 CA LYS A 72 -6.040 -11.291 -4.762 1.00 0.00 C ATOM 1134 C LYS A 72 -4.756 -11.273 -3.924 1.00 0.00 C ATOM 1135 O LYS A 72 -4.790 -11.647 -2.752 1.00 0.00 O ATOM 1136 CB LYS A 72 -6.004 -12.363 -5.863 1.00 0.00 C ATOM 1137 CG LYS A 72 -6.020 -13.782 -5.281 1.00 0.00 C ATOM 1138 CD LYS A 72 -5.983 -14.810 -6.420 1.00 0.00 C ATOM 1139 CE LYS A 72 -5.900 -16.247 -5.891 1.00 0.00 C ATOM 1140 NZ LYS A 72 -7.086 -16.612 -5.096 1.00 0.00 N ATOM 0 H LYS A 72 -6.055 -9.931 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.862 -11.543 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.860 -12.232 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.109 -12.230 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.164 -13.925 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.915 -13.927 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.875 -14.701 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.125 -14.609 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.799 -16.937 -6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.005 -16.357 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.038 -17.620 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.113 -16.038 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.946 -16.436 -5.654 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.619 -10.866 -4.509 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.328 -10.973 -3.819 1.00 0.00 C ATOM 1156 C ILE A 73 -2.355 -10.250 -2.472 1.00 0.00 C ATOM 1157 O ILE A 73 -1.728 -10.700 -1.514 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.120 -10.525 -4.669 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -0.826 -9.016 -4.579 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -1.219 -11.009 -6.120 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.246 -8.547 -5.562 1.00 0.00 C ATOM 0 H ILE A 73 -3.568 -10.465 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.182 -12.038 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.255 -11.018 -4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.746 -8.462 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.509 -8.775 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.346 -10.669 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.259 -12.098 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.122 -10.605 -6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.403 -7.475 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.179 -9.074 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.078 -8.757 -6.581 1.00 0.00 H new ATOM 1173 N SER A 74 -3.060 -9.117 -2.410 1.00 0.00 N ATOM 1174 CA SER A 74 -3.305 -8.329 -1.208 1.00 0.00 C ATOM 1175 C SER A 74 -2.066 -7.545 -0.754 1.00 0.00 C ATOM 1176 O SER A 74 -2.164 -6.350 -0.492 1.00 0.00 O ATOM 1177 CB SER A 74 -3.896 -9.194 -0.086 1.00 0.00 C ATOM 1178 OG SER A 74 -5.038 -9.895 -0.546 1.00 0.00 O ATOM 0 H SER A 74 -3.494 -8.709 -3.238 1.00 0.00 H new ATOM 0 HA SER A 74 -4.052 -7.578 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.146 -9.902 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.166 -8.565 0.762 1.00 0.00 H new ATOM 0 HG SER A 74 -4.776 -10.515 -1.259 1.00 0.00 H new ATOM 1184 N GLN A 75 -0.905 -8.203 -0.651 1.00 0.00 N ATOM 1185 CA GLN A 75 0.354 -7.572 -0.268 1.00 0.00 C ATOM 1186 C GLN A 75 0.636 -6.300 -1.083 1.00 0.00 C ATOM 1187 O GLN A 75 1.071 -5.306 -0.457 1.00 0.00 O ATOM 1188 CB GLN A 75 1.512 -8.584 -0.350 1.00 0.00 C ATOM 1189 CG GLN A 75 1.684 -9.239 -1.732 1.00 0.00 C ATOM 1190 CD GLN A 75 2.888 -10.175 -1.781 1.00 0.00 C ATOM 1191 OE1 GLN A 75 2.740 -11.385 -1.915 1.00 0.00 O ATOM 1192 NE2 GLN A 75 4.095 -9.627 -1.686 1.00 0.00 N ATOM 1193 OXT GLN A 75 0.432 -6.341 -2.316 1.00 0.00 O ATOM 0 H GLN A 75 -0.817 -9.202 -0.835 1.00 0.00 H new ATOM 0 HA GLN A 75 0.265 -7.251 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.440 -8.079 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.349 -9.366 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.782 -9.797 -1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.799 -8.463 -2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.189 -8.617 -1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.927 -10.216 -1.724 1.00 0.00 H new TER 1202 GLN A 75