USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 602 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 64 GLN : amide:sc= -0.0061 X(o=-0.081,f=0.28) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 178:sc= -0.0751 (180deg=-0.101) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 16 LYS NZ :NH3+ -132:sc= 0.363 (180deg=0.0367) USER MOD Set 4.2: A 70 SER OG : rot 180:sc= -0.351 USER MOD Set 5.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 48 HIS : no HD1:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 99:sc= 0.727 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0181) USER MOD Single : A 9 THR OG1 : rot 43:sc= 0.55 USER MOD Single : A 10 SER OG : rot 180:sc= -1.13 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc=-0.00901 (180deg=-0.184) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0699 X(o=-0.07,f=0.2) USER MOD Single : A 26 SER OG : rot -104:sc= 0.315 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00174 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -153:sc= -0.971 (180deg=-2.21) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0.323 (180deg=0.141) USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -0.757 (180deg=-0.856) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc=-0.00573 (180deg=-0.156) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 69 TYR OH : rot 120:sc= -0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.197 14.189 10.087 1.00 0.00 N ATOM 2 CA SER A 1 0.706 15.156 9.407 1.00 0.00 C ATOM 3 C SER A 1 1.368 14.528 8.180 1.00 0.00 C ATOM 4 O SER A 1 1.272 15.066 7.075 1.00 0.00 O ATOM 5 CB SER A 1 1.781 15.655 10.380 1.00 0.00 C ATOM 6 OG SER A 1 1.199 16.324 11.487 1.00 0.00 O ATOM 0 H1 SER A 1 -0.632 14.643 10.915 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.942 13.887 9.427 1.00 0.00 H new ATOM 0 H3 SER A 1 0.350 13.360 10.394 1.00 0.00 H new ATOM 0 HA SER A 1 0.101 16.000 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.376 14.812 10.732 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.461 16.330 9.860 1.00 0.00 H new ATOM 0 HG SER A 1 1.906 16.630 12.093 1.00 0.00 H new ATOM 14 N ASP A 2 2.037 13.391 8.379 1.00 0.00 N ATOM 15 CA ASP A 2 2.714 12.695 7.286 1.00 0.00 C ATOM 16 C ASP A 2 2.149 11.289 7.078 1.00 0.00 C ATOM 17 O ASP A 2 1.281 10.834 7.827 1.00 0.00 O ATOM 18 CB ASP A 2 4.219 12.621 7.559 1.00 0.00 C ATOM 19 CG ASP A 2 4.911 13.956 7.355 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.961 14.752 8.317 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.400 14.205 6.234 1.00 0.00 O ATOM 0 H ASP A 2 2.124 12.934 9.287 1.00 0.00 H new ATOM 0 HA ASP A 2 2.540 13.264 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.384 12.282 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.669 11.878 6.901 1.00 0.00 H new ATOM 26 N VAL A 3 2.658 10.609 6.050 1.00 0.00 N ATOM 27 CA VAL A 3 2.222 9.254 5.720 1.00 0.00 C ATOM 28 C VAL A 3 2.641 8.253 6.803 1.00 0.00 C ATOM 29 O VAL A 3 1.924 7.286 7.070 1.00 0.00 O ATOM 30 CB VAL A 3 2.777 8.801 4.347 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.299 8.736 4.360 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.177 7.463 3.939 1.00 0.00 C ATOM 0 H VAL A 3 3.377 10.979 5.429 1.00 0.00 H new ATOM 0 HA VAL A 3 1.134 9.275 5.667 1.00 0.00 H new ATOM 0 HB VAL A 3 2.486 9.545 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.658 8.415 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.703 9.722 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.626 8.024 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.580 7.163 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.427 6.709 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.093 7.557 3.867 1.00 0.00 H new ATOM 42 N TRP A 4 3.795 8.496 7.429 1.00 0.00 N ATOM 43 CA TRP A 4 4.295 7.618 8.487 1.00 0.00 C ATOM 44 C TRP A 4 3.521 7.845 9.787 1.00 0.00 C ATOM 45 O TRP A 4 3.286 6.901 10.545 1.00 0.00 O ATOM 46 CB TRP A 4 5.794 7.851 8.719 1.00 0.00 C ATOM 47 CG TRP A 4 6.632 6.624 8.510 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.424 5.386 9.048 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.820 6.520 7.714 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.404 4.518 8.628 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.272 5.190 7.810 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.543 7.421 6.926 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.413 4.741 7.149 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.675 6.974 6.271 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.101 5.645 6.385 1.00 0.00 C ATOM 0 H TRP A 4 4.399 9.292 7.222 1.00 0.00 H new ATOM 0 HA TRP A 4 4.147 6.586 8.169 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.140 8.636 8.046 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.944 8.214 9.736 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.609 5.127 9.707 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.473 3.533 8.884 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.223 8.448 6.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.743 3.716 7.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.241 7.662 5.660 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.990 5.327 5.860 1.00 0.00 H new ATOM 66 N SER A 5 3.127 9.098 10.042 1.00 0.00 N ATOM 67 CA SER A 5 2.355 9.430 11.238 1.00 0.00 C ATOM 68 C SER A 5 1.009 8.704 11.216 1.00 0.00 C ATOM 69 O SER A 5 0.630 8.052 12.190 1.00 0.00 O ATOM 70 CB SER A 5 2.135 10.944 11.333 1.00 0.00 C ATOM 71 OG SER A 5 1.438 11.287 12.519 1.00 0.00 O ATOM 0 H SER A 5 3.331 9.894 9.437 1.00 0.00 H new ATOM 0 HA SER A 5 2.918 9.105 12.113 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.097 11.456 11.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.572 11.288 10.465 1.00 0.00 H new ATOM 0 HG SER A 5 1.312 12.258 12.555 1.00 0.00 H new ATOM 77 N LEU A 6 0.294 8.824 10.094 1.00 0.00 N ATOM 78 CA LEU A 6 -1.002 8.170 9.929 1.00 0.00 C ATOM 79 C LEU A 6 -0.835 6.850 9.178 1.00 0.00 C ATOM 80 O LEU A 6 -1.005 6.789 7.957 1.00 0.00 O ATOM 81 CB LEU A 6 -1.984 9.085 9.183 1.00 0.00 C ATOM 82 CG LEU A 6 -2.571 10.236 10.007 1.00 0.00 C ATOM 83 CD1 LEU A 6 -3.321 9.700 11.219 1.00 0.00 C ATOM 84 CD2 LEU A 6 -1.477 11.201 10.439 1.00 0.00 C ATOM 0 H LEU A 6 0.594 9.370 9.286 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.410 7.965 10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.474 9.505 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.805 8.476 8.806 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.277 10.779 9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.730 10.533 11.791 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.133 9.053 10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.637 9.130 11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.915 12.010 11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.744 10.671 11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.987 11.614 9.557 1.00 0.00 H new ATOM 96 N SER A 7 -0.487 5.799 9.919 1.00 0.00 N ATOM 97 CA SER A 7 -0.283 4.475 9.333 1.00 0.00 C ATOM 98 C SER A 7 -1.292 3.444 9.856 1.00 0.00 C ATOM 99 O SER A 7 -1.175 2.253 9.561 1.00 0.00 O ATOM 100 CB SER A 7 1.147 3.998 9.599 1.00 0.00 C ATOM 101 OG SER A 7 2.090 4.812 8.922 1.00 0.00 O ATOM 0 H SER A 7 -0.340 5.839 10.928 1.00 0.00 H new ATOM 0 HA SER A 7 -0.444 4.567 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.347 4.018 10.670 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.255 2.963 9.274 1.00 0.00 H new ATOM 0 HG SER A 7 2.465 5.467 9.547 1.00 0.00 H new ATOM 107 N LYS A 8 -2.285 3.901 10.626 1.00 0.00 N ATOM 108 CA LYS A 8 -3.312 3.010 11.164 1.00 0.00 C ATOM 109 C LYS A 8 -4.608 3.063 10.343 1.00 0.00 C ATOM 110 O LYS A 8 -5.526 2.274 10.580 1.00 0.00 O ATOM 111 CB LYS A 8 -3.598 3.360 12.627 1.00 0.00 C ATOM 112 CG LYS A 8 -2.550 2.832 13.597 1.00 0.00 C ATOM 113 CD LYS A 8 -2.478 1.310 13.573 1.00 0.00 C ATOM 114 CE LYS A 8 -3.788 0.678 14.026 1.00 0.00 C ATOM 115 NZ LYS A 8 -3.722 -0.810 14.013 1.00 0.00 N ATOM 0 H LYS A 8 -2.397 4.880 10.889 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.928 1.992 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.660 4.444 12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.573 2.958 12.904 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.575 3.247 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.785 3.170 14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.241 0.973 12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.668 0.973 14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.028 1.022 15.032 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.596 1.011 13.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.657 -1.201 14.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.435 -1.137 13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.027 -1.133 14.716 1.00 0.00 H new ATOM 129 N THR A 9 -4.681 3.988 9.378 1.00 0.00 N ATOM 130 CA THR A 9 -5.863 4.129 8.528 1.00 0.00 C ATOM 131 C THR A 9 -5.850 3.105 7.389 1.00 0.00 C ATOM 132 O THR A 9 -5.196 3.311 6.363 1.00 0.00 O ATOM 133 CB THR A 9 -5.966 5.552 7.935 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.753 5.892 7.249 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.238 6.578 9.028 1.00 0.00 C ATOM 0 H THR A 9 -3.933 4.649 9.169 1.00 0.00 H new ATOM 0 HA THR A 9 -6.732 3.948 9.161 1.00 0.00 H new ATOM 0 HB THR A 9 -6.797 5.564 7.230 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.456 5.128 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.306 7.572 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.177 6.338 9.527 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.426 6.559 9.755 1.00 0.00 H new ATOM 143 N SER A 10 -6.575 2.001 7.579 1.00 0.00 N ATOM 144 CA SER A 10 -6.639 0.940 6.572 1.00 0.00 C ATOM 145 C SER A 10 -7.572 1.318 5.422 1.00 0.00 C ATOM 146 O SER A 10 -8.325 2.291 5.509 1.00 0.00 O ATOM 147 CB SER A 10 -7.107 -0.376 7.203 1.00 0.00 C ATOM 148 OG SER A 10 -6.296 -0.736 8.308 1.00 0.00 O ATOM 0 H SER A 10 -7.125 1.818 8.419 1.00 0.00 H new ATOM 0 HA SER A 10 -5.634 0.809 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.143 -0.278 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.080 -1.169 6.456 1.00 0.00 H new ATOM 0 HG SER A 10 -6.619 -1.578 8.691 1.00 0.00 H new ATOM 154 N MET A 11 -7.512 0.535 4.346 1.00 0.00 N ATOM 155 CA MET A 11 -8.351 0.762 3.172 1.00 0.00 C ATOM 156 C MET A 11 -8.970 -0.550 2.703 1.00 0.00 C ATOM 157 O MET A 11 -8.299 -1.584 2.665 1.00 0.00 O ATOM 158 CB MET A 11 -7.532 1.384 2.041 1.00 0.00 C ATOM 159 CG MET A 11 -8.364 1.803 0.839 1.00 0.00 C ATOM 160 SD MET A 11 -9.488 3.164 1.209 1.00 0.00 S ATOM 161 CE MET A 11 -10.182 3.477 -0.412 1.00 0.00 C ATOM 0 H MET A 11 -6.887 -0.267 4.264 1.00 0.00 H new ATOM 0 HA MET A 11 -9.149 1.452 3.448 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.002 2.255 2.426 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.776 0.669 1.716 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.699 2.097 0.027 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.940 0.948 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.899 4.296 -0.349 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.384 3.746 -1.104 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.686 2.580 -0.771 1.00 0.00 H new ATOM 171 N THR A 12 -10.251 -0.504 2.343 1.00 0.00 N ATOM 172 CA THR A 12 -10.956 -1.693 1.882 1.00 0.00 C ATOM 173 C THR A 12 -10.916 -1.810 0.360 1.00 0.00 C ATOM 174 O THR A 12 -11.408 -0.935 -0.356 1.00 0.00 O ATOM 175 CB THR A 12 -12.427 -1.696 2.350 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.487 -1.608 3.779 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.145 -2.958 1.887 1.00 0.00 C ATOM 0 H THR A 12 -10.819 0.343 2.362 1.00 0.00 H new ATOM 0 HA THR A 12 -10.442 -2.549 2.320 1.00 0.00 H new ATOM 0 HB THR A 12 -12.924 -0.832 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.423 -1.609 4.068 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.179 -2.935 2.230 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.125 -3.010 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.645 -3.834 2.301 1.00 0.00 H new ATOM 185 N PHE A 13 -10.323 -2.900 -0.122 1.00 0.00 N ATOM 186 CA PHE A 13 -10.234 -3.168 -1.552 1.00 0.00 C ATOM 187 C PHE A 13 -11.389 -4.067 -1.975 1.00 0.00 C ATOM 188 O PHE A 13 -11.798 -4.960 -1.229 1.00 0.00 O ATOM 189 CB PHE A 13 -8.894 -3.825 -1.899 1.00 0.00 C ATOM 190 CG PHE A 13 -7.747 -2.856 -1.992 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.908 -1.619 -2.599 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.507 -3.187 -1.475 1.00 0.00 C ATOM 193 CE1 PHE A 13 -6.851 -0.734 -2.686 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.448 -2.307 -1.561 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.619 -1.078 -2.167 1.00 0.00 C ATOM 0 H PHE A 13 -9.894 -3.616 0.464 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.297 -2.223 -2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.662 -4.576 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.993 -4.349 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.869 -1.345 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.366 -4.146 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.988 0.227 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.485 -2.579 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.791 -0.388 -2.235 1.00 0.00 H new ATOM 205 N GLN A 14 -11.909 -3.830 -3.177 1.00 0.00 N ATOM 206 CA GLN A 14 -13.024 -4.612 -3.696 1.00 0.00 C ATOM 207 C GLN A 14 -12.549 -5.570 -4.783 1.00 0.00 C ATOM 208 O GLN A 14 -12.079 -5.138 -5.838 1.00 0.00 O ATOM 209 CB GLN A 14 -14.107 -3.688 -4.257 1.00 0.00 C ATOM 210 CG GLN A 14 -14.641 -2.683 -3.248 1.00 0.00 C ATOM 211 CD GLN A 14 -15.647 -1.718 -3.853 1.00 0.00 C ATOM 212 OE1 GLN A 14 -15.585 -1.399 -5.041 1.00 0.00 O ATOM 213 NE2 GLN A 14 -16.581 -1.245 -3.035 1.00 0.00 N ATOM 0 H GLN A 14 -11.575 -3.102 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.443 -5.193 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.703 -3.149 -5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.935 -4.295 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.109 -3.218 -2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.808 -2.118 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.597 -1.535 -2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.282 -0.592 -3.385 1.00 0.00 H new ATOM 222 N PRO A 15 -12.662 -6.889 -4.538 1.00 0.00 N ATOM 223 CA PRO A 15 -12.244 -7.912 -5.503 1.00 0.00 C ATOM 224 C PRO A 15 -12.992 -7.786 -6.827 1.00 0.00 C ATOM 225 O PRO A 15 -14.159 -7.387 -6.851 1.00 0.00 O ATOM 226 CB PRO A 15 -12.597 -9.234 -4.815 1.00 0.00 C ATOM 227 CG PRO A 15 -12.716 -8.904 -3.369 1.00 0.00 C ATOM 228 CD PRO A 15 -13.197 -7.485 -3.302 1.00 0.00 C ATOM 0 HA PRO A 15 -11.187 -7.824 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.530 -9.643 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.825 -9.984 -4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.416 -9.576 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.756 -9.014 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.285 -7.430 -3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.823 -6.975 -2.414 1.00 0.00 H new ATOM 236 N LYS A 16 -12.321 -8.127 -7.924 1.00 0.00 N ATOM 237 CA LYS A 16 -12.941 -8.060 -9.244 1.00 0.00 C ATOM 238 C LYS A 16 -13.870 -9.253 -9.454 1.00 0.00 C ATOM 239 O LYS A 16 -14.963 -9.110 -10.006 1.00 0.00 O ATOM 240 CB LYS A 16 -11.872 -8.020 -10.342 1.00 0.00 C ATOM 241 CG LYS A 16 -11.111 -6.703 -10.404 1.00 0.00 C ATOM 242 CD LYS A 16 -12.016 -5.550 -10.809 1.00 0.00 C ATOM 243 CE LYS A 16 -11.353 -4.206 -10.553 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.199 -3.071 -11.017 1.00 0.00 N ATOM 0 H LYS A 16 -11.354 -8.451 -7.926 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.528 -7.144 -9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.164 -8.832 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.347 -8.202 -11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.667 -6.493 -9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.291 -6.790 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.268 -5.637 -11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.952 -5.607 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.153 -4.097 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.390 -4.173 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.621 -2.414 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.978 -3.435 -11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.590 -2.570 -10.194 1.00 0.00 H new ATOM 258 N LYS A 17 -13.426 -10.429 -9.004 1.00 0.00 N ATOM 259 CA LYS A 17 -14.209 -11.655 -9.131 1.00 0.00 C ATOM 260 C LYS A 17 -14.682 -12.146 -7.760 1.00 0.00 C ATOM 261 O LYS A 17 -14.206 -11.679 -6.723 1.00 0.00 O ATOM 262 CB LYS A 17 -13.374 -12.741 -9.816 1.00 0.00 C ATOM 263 CG LYS A 17 -12.694 -12.269 -11.093 1.00 0.00 C ATOM 264 CD LYS A 17 -11.730 -13.312 -11.633 1.00 0.00 C ATOM 265 CE LYS A 17 -10.842 -12.738 -12.728 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.861 -11.751 -12.194 1.00 0.00 N ATOM 0 H LYS A 17 -12.523 -10.555 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.087 -11.439 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.615 -13.097 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.017 -13.590 -10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.449 -12.046 -11.847 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.155 -11.342 -10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.109 -13.690 -10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.292 -14.159 -12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.307 -13.549 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.464 -12.258 -13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.113 -11.590 -12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.346 -10.853 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.439 -12.120 -11.318 1.00 0.00 H new ATOM 280 N ALA A 18 -15.622 -13.093 -7.767 1.00 0.00 N ATOM 281 CA ALA A 18 -16.166 -13.655 -6.531 1.00 0.00 C ATOM 282 C ALA A 18 -15.116 -14.462 -5.768 1.00 0.00 C ATOM 283 O ALA A 18 -15.094 -14.455 -4.535 1.00 0.00 O ATOM 284 CB ALA A 18 -17.376 -14.527 -6.837 1.00 0.00 C ATOM 0 H ALA A 18 -16.023 -13.487 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.473 -12.823 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.771 -14.939 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.144 -13.926 -7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.080 -15.341 -7.498 1.00 0.00 H new ATOM 290 N SER A 19 -14.249 -15.156 -6.509 1.00 0.00 N ATOM 291 CA SER A 19 -13.192 -15.972 -5.909 1.00 0.00 C ATOM 292 C SER A 19 -12.275 -15.132 -5.022 1.00 0.00 C ATOM 293 O SER A 19 -11.883 -15.564 -3.937 1.00 0.00 O ATOM 294 CB SER A 19 -12.372 -16.662 -7.002 1.00 0.00 C ATOM 295 OG SER A 19 -13.175 -17.552 -7.758 1.00 0.00 O ATOM 0 H SER A 19 -14.259 -15.169 -7.529 1.00 0.00 H new ATOM 0 HA SER A 19 -13.668 -16.727 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.935 -15.912 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.545 -17.209 -6.550 1.00 0.00 H new ATOM 0 HG SER A 19 -12.628 -17.978 -8.450 1.00 0.00 H new ATOM 301 N LEU A 20 -11.934 -13.930 -5.492 1.00 0.00 N ATOM 302 CA LEU A 20 -11.066 -13.026 -4.743 1.00 0.00 C ATOM 303 C LEU A 20 -11.750 -12.536 -3.464 1.00 0.00 C ATOM 304 O LEU A 20 -12.980 -12.495 -3.383 1.00 0.00 O ATOM 305 CB LEU A 20 -10.673 -11.835 -5.618 1.00 0.00 C ATOM 306 CG LEU A 20 -9.789 -12.169 -6.825 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.620 -10.948 -7.716 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.432 -12.688 -6.369 1.00 0.00 C ATOM 0 H LEU A 20 -12.248 -13.562 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.169 -13.575 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.583 -11.354 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.151 -11.106 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.280 -12.953 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.990 -11.204 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.596 -10.620 -8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.153 -10.144 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.819 -12.919 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.935 -11.927 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.569 -13.590 -5.772 1.00 0.00 H new ATOM 320 N GLN A 21 -10.941 -12.159 -2.473 1.00 0.00 N ATOM 321 CA GLN A 21 -11.458 -11.681 -1.188 1.00 0.00 C ATOM 322 C GLN A 21 -11.001 -10.248 -0.911 1.00 0.00 C ATOM 323 O GLN A 21 -9.829 -9.919 -1.105 1.00 0.00 O ATOM 324 CB GLN A 21 -10.997 -12.603 -0.054 1.00 0.00 C ATOM 325 CG GLN A 21 -11.540 -14.022 -0.153 1.00 0.00 C ATOM 326 CD GLN A 21 -13.051 -14.085 -0.015 1.00 0.00 C ATOM 327 OE1 GLN A 21 -13.779 -14.021 -1.005 1.00 0.00 O ATOM 328 NE2 GLN A 21 -13.530 -14.210 1.218 1.00 0.00 N ATOM 0 H GLN A 21 -9.923 -12.175 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.547 -11.691 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.908 -12.641 -0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.305 -12.172 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.249 -14.451 -1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.083 -14.636 0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.890 -14.259 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.537 -14.257 1.372 1.00 0.00 H new ATOM 337 N PRO A 22 -11.923 -9.379 -0.441 1.00 0.00 N ATOM 338 CA PRO A 22 -11.616 -7.970 -0.141 1.00 0.00 C ATOM 339 C PRO A 22 -10.419 -7.812 0.795 1.00 0.00 C ATOM 340 O PRO A 22 -10.320 -8.495 1.816 1.00 0.00 O ATOM 341 CB PRO A 22 -12.896 -7.461 0.529 1.00 0.00 C ATOM 342 CG PRO A 22 -13.970 -8.344 0.001 1.00 0.00 C ATOM 343 CD PRO A 22 -13.339 -9.699 -0.168 1.00 0.00 C ATOM 0 HA PRO A 22 -11.340 -7.417 -1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.828 -7.525 1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.084 -6.416 0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.814 -8.389 0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.353 -7.970 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.449 -10.309 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.792 -10.255 -0.989 1.00 0.00 H new ATOM 351 N LEU A 23 -9.516 -6.901 0.434 1.00 0.00 N ATOM 352 CA LEU A 23 -8.317 -6.644 1.227 1.00 0.00 C ATOM 353 C LEU A 23 -8.491 -5.399 2.090 1.00 0.00 C ATOM 354 O LEU A 23 -8.749 -4.311 1.575 1.00 0.00 O ATOM 355 CB LEU A 23 -7.105 -6.482 0.307 1.00 0.00 C ATOM 356 CG LEU A 23 -5.738 -6.498 1.000 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.637 -6.795 -0.006 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.472 -5.172 1.700 1.00 0.00 C ATOM 0 H LEU A 23 -9.594 -6.327 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.154 -7.496 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.125 -7.281 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.206 -5.542 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.746 -7.287 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.673 -6.803 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.814 -7.769 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.634 -6.027 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.496 -5.206 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.485 -4.365 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.244 -4.995 2.449 1.00 0.00 H new ATOM 370 N THR A 24 -8.338 -5.564 3.401 1.00 0.00 N ATOM 371 CA THR A 24 -8.482 -4.449 4.330 1.00 0.00 C ATOM 372 C THR A 24 -7.278 -4.350 5.269 1.00 0.00 C ATOM 373 O THR A 24 -7.231 -5.015 6.306 1.00 0.00 O ATOM 374 CB THR A 24 -9.776 -4.565 5.163 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.893 -4.817 4.300 1.00 0.00 O ATOM 376 CG2 THR A 24 -10.027 -3.288 5.953 1.00 0.00 C ATOM 0 H THR A 24 -8.115 -6.456 3.842 1.00 0.00 H new ATOM 0 HA THR A 24 -8.537 -3.543 3.726 1.00 0.00 H new ATOM 0 HB THR A 24 -9.658 -5.393 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.710 -4.891 4.836 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.944 -3.393 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.190 -3.107 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.126 -2.448 5.265 1.00 0.00 H new ATOM 384 N ILE A 25 -6.301 -3.526 4.892 1.00 0.00 N ATOM 385 CA ILE A 25 -5.092 -3.354 5.694 1.00 0.00 C ATOM 386 C ILE A 25 -4.511 -1.946 5.524 1.00 0.00 C ATOM 387 O ILE A 25 -4.819 -1.251 4.552 1.00 0.00 O ATOM 388 CB ILE A 25 -4.027 -4.417 5.319 1.00 0.00 C ATOM 389 CG1 ILE A 25 -3.064 -4.659 6.487 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.258 -4.004 4.070 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.725 -5.284 7.696 1.00 0.00 C ATOM 0 H ILE A 25 -6.323 -2.969 4.038 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.368 -3.488 6.740 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.548 -5.350 5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.254 -5.306 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.614 -3.710 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.518 -4.767 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.951 -3.895 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.755 -3.054 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.984 -5.426 8.483 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.517 -4.628 8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.151 -6.249 7.420 1.00 0.00 H new ATOM 403 N SER A 26 -3.671 -1.533 6.475 1.00 0.00 N ATOM 404 CA SER A 26 -3.053 -0.211 6.434 1.00 0.00 C ATOM 405 C SER A 26 -1.524 -0.298 6.362 1.00 0.00 C ATOM 406 O SER A 26 -0.949 -1.384 6.291 1.00 0.00 O ATOM 407 CB SER A 26 -3.471 0.596 7.667 1.00 0.00 C ATOM 408 OG SER A 26 -3.105 1.959 7.538 1.00 0.00 O ATOM 0 H SER A 26 -3.405 -2.097 7.282 1.00 0.00 H new ATOM 0 HA SER A 26 -3.399 0.290 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.549 0.518 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.003 0.174 8.556 1.00 0.00 H new ATOM 0 HG SER A 26 -2.318 2.140 8.093 1.00 0.00 H new ATOM 414 N LEU A 27 -0.885 0.874 6.378 1.00 0.00 N ATOM 415 CA LEU A 27 0.573 0.998 6.324 1.00 0.00 C ATOM 416 C LEU A 27 1.259 0.245 7.466 1.00 0.00 C ATOM 417 O LEU A 27 2.031 -0.685 7.229 1.00 0.00 O ATOM 418 CB LEU A 27 0.964 2.480 6.394 1.00 0.00 C ATOM 419 CG LEU A 27 0.282 3.388 5.363 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.824 4.804 5.463 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.464 2.841 3.953 1.00 0.00 C ATOM 0 H LEU A 27 -1.369 1.770 6.429 1.00 0.00 H new ATOM 0 HA LEU A 27 0.905 0.557 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.732 2.853 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.044 2.560 6.266 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.786 3.410 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.330 5.436 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.634 5.197 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.897 4.797 5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.028 3.502 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.527 2.783 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.024 1.846 3.889 1.00 0.00 H new ATOM 433 N ASP A 28 0.961 0.641 8.702 1.00 0.00 N ATOM 434 CA ASP A 28 1.565 0.018 9.881 1.00 0.00 C ATOM 435 C ASP A 28 1.162 -1.452 10.002 1.00 0.00 C ATOM 436 O ASP A 28 1.930 -2.275 10.503 1.00 0.00 O ATOM 437 CB ASP A 28 1.157 0.780 11.147 1.00 0.00 C ATOM 438 CG ASP A 28 1.779 0.202 12.406 1.00 0.00 C ATOM 439 OD1 ASP A 28 2.974 0.469 12.656 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.071 -0.520 13.141 1.00 0.00 O ATOM 0 H ASP A 28 0.304 1.392 8.915 1.00 0.00 H new ATOM 0 HA ASP A 28 2.648 0.063 9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.452 1.825 11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.071 0.763 11.242 1.00 0.00 H new ATOM 445 N GLU A 29 -0.044 -1.770 9.537 1.00 0.00 N ATOM 446 CA GLU A 29 -0.561 -3.135 9.595 1.00 0.00 C ATOM 447 C GLU A 29 -0.049 -4.012 8.445 1.00 0.00 C ATOM 448 O GLU A 29 -0.303 -5.218 8.436 1.00 0.00 O ATOM 449 CB GLU A 29 -2.090 -3.107 9.572 1.00 0.00 C ATOM 450 CG GLU A 29 -2.710 -2.517 10.824 1.00 0.00 C ATOM 451 CD GLU A 29 -4.082 -1.922 10.572 1.00 0.00 C ATOM 452 OE1 GLU A 29 -5.043 -2.698 10.384 1.00 0.00 O ATOM 453 OE2 GLU A 29 -4.198 -0.677 10.567 1.00 0.00 O ATOM 0 H GLU A 29 -0.684 -1.098 9.114 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.200 -3.575 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.421 -2.531 8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.461 -4.123 9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.789 -3.293 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.051 -1.745 11.222 1.00 0.00 H new ATOM 460 N LEU A 30 0.669 -3.425 7.478 1.00 0.00 N ATOM 461 CA LEU A 30 1.175 -4.202 6.343 1.00 0.00 C ATOM 462 C LEU A 30 2.677 -3.986 6.084 1.00 0.00 C ATOM 463 O LEU A 30 3.191 -4.400 5.045 1.00 0.00 O ATOM 464 CB LEU A 30 0.368 -3.866 5.086 1.00 0.00 C ATOM 465 CG LEU A 30 0.504 -4.861 3.928 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.141 -6.191 4.285 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.114 -4.288 2.662 1.00 0.00 C ATOM 0 H LEU A 30 0.908 -2.434 7.459 1.00 0.00 H new ATOM 0 HA LEU A 30 1.053 -5.255 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.685 -3.796 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.672 -2.881 4.733 1.00 0.00 H new ATOM 0 HG LEU A 30 1.564 -5.036 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.034 -6.883 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.347 -6.607 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.199 -6.037 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.009 -5.006 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.171 -4.085 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.395 -3.362 2.396 1.00 0.00 H new ATOM 479 N PHE A 31 3.380 -3.362 7.037 1.00 0.00 N ATOM 480 CA PHE A 31 4.821 -3.134 6.874 1.00 0.00 C ATOM 481 C PHE A 31 5.570 -3.407 8.178 1.00 0.00 C ATOM 482 O PHE A 31 5.079 -3.090 9.264 1.00 0.00 O ATOM 483 CB PHE A 31 5.116 -1.714 6.367 1.00 0.00 C ATOM 484 CG PHE A 31 4.442 -1.374 5.063 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.608 -2.180 3.948 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.639 -0.249 4.956 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.984 -1.872 2.754 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.016 0.063 3.764 1.00 0.00 C ATOM 489 CZ PHE A 31 3.187 -0.750 2.663 1.00 0.00 C ATOM 0 H PHE A 31 2.986 -3.013 7.910 1.00 0.00 H new ATOM 0 HA PHE A 31 5.177 -3.836 6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.801 -0.996 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.193 -1.599 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.232 -3.059 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.499 0.391 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.120 -2.509 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.395 0.944 3.694 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.698 -0.508 1.731 1.00 0.00 H new ATOM 499 N SER A 32 6.761 -3.998 8.063 1.00 0.00 N ATOM 500 CA SER A 32 7.577 -4.323 9.234 1.00 0.00 C ATOM 501 C SER A 32 9.036 -3.902 9.028 1.00 0.00 C ATOM 502 O SER A 32 9.957 -4.600 9.458 1.00 0.00 O ATOM 503 CB SER A 32 7.516 -5.833 9.488 1.00 0.00 C ATOM 504 OG SER A 32 6.184 -6.262 9.716 1.00 0.00 O ATOM 0 H SER A 32 7.181 -4.261 7.172 1.00 0.00 H new ATOM 0 HA SER A 32 7.181 -3.778 10.091 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.931 -6.365 8.632 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.134 -6.085 10.350 1.00 0.00 H new ATOM 0 HG SER A 32 6.174 -7.229 9.874 1.00 0.00 H new ATOM 510 N SER A 33 9.245 -2.749 8.386 1.00 0.00 N ATOM 511 CA SER A 33 10.596 -2.247 8.131 1.00 0.00 C ATOM 512 C SER A 33 10.577 -0.800 7.638 1.00 0.00 C ATOM 513 O SER A 33 9.778 -0.439 6.771 1.00 0.00 O ATOM 514 CB SER A 33 11.314 -3.137 7.111 1.00 0.00 C ATOM 515 OG SER A 33 12.568 -2.588 6.741 1.00 0.00 O ATOM 0 H SER A 33 8.499 -2.149 8.035 1.00 0.00 H new ATOM 0 HA SER A 33 11.138 -2.273 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.460 -4.132 7.532 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.690 -3.254 6.225 1.00 0.00 H new ATOM 0 HG SER A 33 13.004 -3.178 6.091 1.00 0.00 H new ATOM 521 N ARG A 34 11.468 0.024 8.197 1.00 0.00 N ATOM 522 CA ARG A 34 11.571 1.430 7.809 1.00 0.00 C ATOM 523 C ARG A 34 12.010 1.550 6.352 1.00 0.00 C ATOM 524 O ARG A 34 11.405 2.290 5.573 1.00 0.00 O ATOM 525 CB ARG A 34 12.560 2.162 8.721 1.00 0.00 C ATOM 526 CG ARG A 34 12.636 3.658 8.470 1.00 0.00 C ATOM 527 CD ARG A 34 13.543 4.345 9.479 1.00 0.00 C ATOM 528 NE ARG A 34 13.763 5.753 9.150 1.00 0.00 N ATOM 529 CZ ARG A 34 14.852 6.222 8.530 1.00 0.00 C ATOM 530 NH1 ARG A 34 15.827 5.399 8.151 1.00 0.00 N ATOM 531 NH2 ARG A 34 14.961 7.523 8.283 1.00 0.00 N ATOM 0 H ARG A 34 12.128 -0.261 8.920 1.00 0.00 H new ATOM 0 HA ARG A 34 10.589 1.891 7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.276 1.992 9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.552 1.730 8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.007 3.841 7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.636 4.089 8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.102 4.270 10.473 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.502 3.827 9.516 1.00 0.00 H new ATOM 0 HE ARG A 34 13.038 6.422 9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.749 4.398 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.652 5.769 7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.216 8.160 8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.789 7.885 7.811 1.00 0.00 H new ATOM 545 N GLY A 35 13.068 0.818 5.990 1.00 0.00 N ATOM 546 CA GLY A 35 13.559 0.838 4.623 1.00 0.00 C ATOM 547 C GLY A 35 12.531 0.302 3.646 1.00 0.00 C ATOM 548 O GLY A 35 12.435 0.780 2.515 1.00 0.00 O ATOM 0 H GLY A 35 13.591 0.213 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.824 1.859 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.469 0.243 4.555 1.00 0.00 H new ATOM 552 N GLU A 36 11.763 -0.703 4.083 1.00 0.00 N ATOM 553 CA GLU A 36 10.714 -1.282 3.251 1.00 0.00 C ATOM 554 C GLU A 36 9.718 -0.196 2.848 1.00 0.00 C ATOM 555 O GLU A 36 9.292 -0.130 1.694 1.00 0.00 O ATOM 556 CB GLU A 36 9.994 -2.408 4.001 1.00 0.00 C ATOM 557 CG GLU A 36 8.797 -2.980 3.255 1.00 0.00 C ATOM 558 CD GLU A 36 9.190 -3.713 1.984 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.336 -3.049 0.936 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.349 -4.951 2.037 1.00 0.00 O ATOM 0 H GLU A 36 11.852 -1.128 5.006 1.00 0.00 H new ATOM 0 HA GLU A 36 11.168 -1.703 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.704 -3.211 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.661 -2.032 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.259 -3.664 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.110 -2.171 3.005 1.00 0.00 H new ATOM 567 N PHE A 37 9.360 0.656 3.817 1.00 0.00 N ATOM 568 CA PHE A 37 8.436 1.763 3.582 1.00 0.00 C ATOM 569 C PHE A 37 8.944 2.643 2.440 1.00 0.00 C ATOM 570 O PHE A 37 8.172 3.077 1.584 1.00 0.00 O ATOM 571 CB PHE A 37 8.281 2.593 4.862 1.00 0.00 C ATOM 572 CG PHE A 37 7.118 3.547 4.843 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.844 3.110 5.170 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.302 4.878 4.510 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.775 3.984 5.162 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.235 5.758 4.501 1.00 0.00 C ATOM 577 CZ PHE A 37 4.970 5.309 4.828 1.00 0.00 C ATOM 0 H PHE A 37 9.701 0.595 4.776 1.00 0.00 H new ATOM 0 HA PHE A 37 7.463 1.358 3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.167 1.916 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.198 3.159 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.686 2.075 5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.289 5.233 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.787 3.631 5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.390 6.794 4.239 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.135 5.994 4.822 1.00 0.00 H new ATOM 587 N ILE A 38 10.249 2.921 2.452 1.00 0.00 N ATOM 588 CA ILE A 38 10.879 3.723 1.408 1.00 0.00 C ATOM 589 C ILE A 38 10.632 3.128 0.019 1.00 0.00 C ATOM 590 O ILE A 38 10.151 3.826 -0.876 1.00 0.00 O ATOM 591 CB ILE A 38 12.400 3.856 1.650 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.667 4.529 3.002 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.060 4.643 0.525 1.00 0.00 C ATOM 594 CD1 ILE A 38 11.952 5.856 3.175 1.00 0.00 C ATOM 0 H ILE A 38 10.890 2.600 3.177 1.00 0.00 H new ATOM 0 HA ILE A 38 10.425 4.713 1.449 1.00 0.00 H new ATOM 0 HB ILE A 38 12.833 2.856 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.360 3.854 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.740 4.687 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.130 4.724 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.899 4.128 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.624 5.641 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.189 6.272 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.277 6.548 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.876 5.702 3.097 1.00 0.00 H new ATOM 606 N SER A 39 10.960 1.840 -0.160 1.00 0.00 N ATOM 607 CA SER A 39 10.765 1.181 -1.454 1.00 0.00 C ATOM 608 C SER A 39 9.293 1.245 -1.861 1.00 0.00 C ATOM 609 O SER A 39 8.955 1.895 -2.851 1.00 0.00 O ATOM 610 CB SER A 39 11.250 -0.273 -1.410 1.00 0.00 C ATOM 611 OG SER A 39 12.646 -0.339 -1.173 1.00 0.00 O ATOM 0 H SER A 39 11.356 1.243 0.566 1.00 0.00 H new ATOM 0 HA SER A 39 11.359 1.709 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.719 -0.813 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.014 -0.767 -2.353 1.00 0.00 H new ATOM 0 HG SER A 39 12.930 -1.277 -1.148 1.00 0.00 H new ATOM 617 N VAL A 40 8.431 0.548 -1.107 1.00 0.00 N ATOM 618 CA VAL A 40 6.991 0.489 -1.390 1.00 0.00 C ATOM 619 C VAL A 40 6.413 1.781 -1.976 1.00 0.00 C ATOM 620 O VAL A 40 5.543 1.717 -2.847 1.00 0.00 O ATOM 621 CB VAL A 40 6.168 0.078 -0.148 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.488 -1.353 0.254 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.409 1.027 1.014 1.00 0.00 C ATOM 0 H VAL A 40 8.712 0.011 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 40 6.903 -0.282 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 40 5.112 0.137 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.899 -1.625 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.245 -2.025 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.549 -1.436 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.816 0.710 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.466 1.016 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.119 2.037 0.725 1.00 0.00 H new ATOM 633 N GLY A 41 6.869 2.949 -1.511 1.00 0.00 N ATOM 634 CA GLY A 41 6.355 4.203 -2.040 1.00 0.00 C ATOM 635 C GLY A 41 5.949 5.173 -0.943 1.00 0.00 C ATOM 636 O GLY A 41 4.892 5.800 -1.028 1.00 0.00 O ATOM 0 H GLY A 41 7.578 3.046 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.115 4.667 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.495 3.999 -2.678 1.00 0.00 H new ATOM 640 N GLY A 42 6.794 5.307 0.086 1.00 0.00 N ATOM 641 CA GLY A 42 6.487 6.197 1.192 1.00 0.00 C ATOM 642 C GLY A 42 7.526 7.285 1.393 1.00 0.00 C ATOM 643 O GLY A 42 8.569 7.050 2.005 1.00 0.00 O ATOM 0 H GLY A 42 7.683 4.814 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.515 6.660 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.402 5.612 2.108 1.00 0.00 H new ATOM 647 N ASP A 43 7.235 8.476 0.874 1.00 0.00 N ATOM 648 CA ASP A 43 8.114 9.630 1.050 1.00 0.00 C ATOM 649 C ASP A 43 7.661 10.402 2.292 1.00 0.00 C ATOM 650 O ASP A 43 8.219 10.212 3.374 1.00 0.00 O ATOM 651 CB ASP A 43 8.088 10.525 -0.194 1.00 0.00 C ATOM 652 CG ASP A 43 8.714 9.854 -1.403 1.00 0.00 C ATOM 653 OD1 ASP A 43 7.992 9.132 -2.122 1.00 0.00 O ATOM 654 OD2 ASP A 43 9.927 10.051 -1.630 1.00 0.00 O ATOM 0 H ASP A 43 6.396 8.667 0.327 1.00 0.00 H new ATOM 0 HA ASP A 43 9.142 9.294 1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.057 10.793 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.619 11.453 0.018 1.00 0.00 H new ATOM 659 N GLY A 44 6.655 11.269 2.142 1.00 0.00 N ATOM 660 CA GLY A 44 6.173 12.048 3.272 1.00 0.00 C ATOM 661 C GLY A 44 4.680 12.296 3.228 1.00 0.00 C ATOM 662 O GLY A 44 3.924 11.668 3.963 1.00 0.00 O ATOM 0 H GLY A 44 6.169 11.443 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.422 11.528 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.694 13.005 3.295 1.00 0.00 H new ATOM 666 N ARG A 45 4.252 13.217 2.369 1.00 0.00 N ATOM 667 CA ARG A 45 2.835 13.541 2.245 1.00 0.00 C ATOM 668 C ARG A 45 2.190 12.715 1.136 1.00 0.00 C ATOM 669 O ARG A 45 2.264 13.068 -0.043 1.00 0.00 O ATOM 670 CB ARG A 45 2.644 15.037 1.984 1.00 0.00 C ATOM 671 CG ARG A 45 2.928 15.908 3.199 1.00 0.00 C ATOM 672 CD ARG A 45 4.405 15.907 3.559 1.00 0.00 C ATOM 673 NE ARG A 45 4.708 16.838 4.646 1.00 0.00 N ATOM 674 CZ ARG A 45 5.946 17.187 5.006 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.002 16.689 4.368 1.00 0.00 N ATOM 676 NH2 ARG A 45 6.129 18.035 6.012 1.00 0.00 N ATOM 0 H ARG A 45 4.864 13.750 1.751 1.00 0.00 H new ATOM 0 HA ARG A 45 2.344 13.293 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.299 15.342 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.620 15.212 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.603 16.929 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.346 15.549 4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.706 14.901 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.992 16.174 2.680 1.00 0.00 H new ATOM 0 HE ARG A 45 3.927 17.245 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.870 16.035 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.944 16.962 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.325 18.419 6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.074 18.302 6.288 1.00 0.00 H new ATOM 690 N MET A 46 1.566 11.606 1.530 1.00 0.00 N ATOM 691 CA MET A 46 0.905 10.714 0.582 1.00 0.00 C ATOM 692 C MET A 46 -0.421 11.307 0.109 1.00 0.00 C ATOM 693 O MET A 46 -0.877 12.329 0.629 1.00 0.00 O ATOM 694 CB MET A 46 0.674 9.344 1.220 1.00 0.00 C ATOM 695 CG MET A 46 0.789 8.189 0.239 1.00 0.00 C ATOM 696 SD MET A 46 2.336 7.278 0.410 1.00 0.00 S ATOM 697 CE MET A 46 3.537 8.591 0.201 1.00 0.00 C ATOM 0 H MET A 46 1.505 11.304 2.502 1.00 0.00 H new ATOM 0 HA MET A 46 1.554 10.596 -0.286 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.396 9.200 2.024 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.317 9.326 1.675 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.048 7.507 0.389 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.709 8.573 -0.778 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.465 8.176 -0.192 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.147 9.333 -0.496 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.730 9.064 1.164 1.00 0.00 H new ATOM 707 N SER A 47 -1.042 10.660 -0.877 1.00 0.00 N ATOM 708 CA SER A 47 -2.308 11.133 -1.425 1.00 0.00 C ATOM 709 C SER A 47 -3.509 10.504 -0.717 1.00 0.00 C ATOM 710 O SER A 47 -4.201 11.164 0.057 1.00 0.00 O ATOM 711 CB SER A 47 -2.377 10.843 -2.931 1.00 0.00 C ATOM 712 OG SER A 47 -3.537 11.416 -3.511 1.00 0.00 O ATOM 0 H SER A 47 -0.687 9.808 -1.311 1.00 0.00 H new ATOM 0 HA SER A 47 -2.352 12.209 -1.259 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.488 11.240 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.379 9.766 -3.097 1.00 0.00 H new ATOM 0 HG SER A 47 -3.555 11.218 -4.471 1.00 0.00 H new ATOM 718 N HIS A 48 -3.735 9.220 -0.994 1.00 0.00 N ATOM 719 CA HIS A 48 -4.870 8.473 -0.452 1.00 0.00 C ATOM 720 C HIS A 48 -4.880 7.061 -1.030 1.00 0.00 C ATOM 721 O HIS A 48 -4.937 6.081 -0.283 1.00 0.00 O ATOM 722 CB HIS A 48 -6.183 9.185 -0.808 1.00 0.00 C ATOM 723 CG HIS A 48 -7.413 8.399 -0.459 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.060 8.513 0.753 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.114 7.485 -1.173 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.104 7.703 0.771 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.159 7.069 -0.385 1.00 0.00 N ATOM 0 H HIS A 48 -3.133 8.666 -1.603 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.775 8.419 0.633 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.217 10.144 -0.291 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.191 9.399 -1.877 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.892 7.147 -2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.795 7.581 1.592 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.864 6.381 -0.650 1.00 0.00 H new ATOM 736 N LYS A 49 -4.822 6.956 -2.356 1.00 0.00 N ATOM 737 CA LYS A 49 -4.772 5.661 -3.026 1.00 0.00 C ATOM 738 C LYS A 49 -3.336 5.131 -3.066 1.00 0.00 C ATOM 739 O LYS A 49 -3.114 3.920 -3.119 1.00 0.00 O ATOM 740 CB LYS A 49 -5.306 5.796 -4.453 1.00 0.00 C ATOM 741 CG LYS A 49 -6.824 5.775 -4.547 1.00 0.00 C ATOM 742 CD LYS A 49 -7.399 4.452 -4.062 1.00 0.00 C ATOM 743 CE LYS A 49 -8.915 4.413 -4.198 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.356 4.563 -5.613 1.00 0.00 N ATOM 0 H LYS A 49 -4.809 7.756 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.391 4.958 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.938 6.728 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.903 4.985 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.237 6.591 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.127 5.947 -5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.961 3.634 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.123 4.296 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.290 3.470 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.353 5.209 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.367 4.330 -5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.203 5.544 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.806 3.920 -6.218 1.00 0.00 H new ATOM 758 N GLU A 50 -2.367 6.052 -3.034 1.00 0.00 N ATOM 759 CA GLU A 50 -0.949 5.705 -3.084 1.00 0.00 C ATOM 760 C GLU A 50 -0.499 4.935 -1.840 1.00 0.00 C ATOM 761 O GLU A 50 0.043 3.836 -1.959 1.00 0.00 O ATOM 762 CB GLU A 50 -0.111 6.980 -3.241 1.00 0.00 C ATOM 763 CG GLU A 50 1.391 6.741 -3.230 1.00 0.00 C ATOM 764 CD GLU A 50 2.181 7.982 -3.601 1.00 0.00 C ATOM 765 OE1 GLU A 50 2.181 8.948 -2.809 1.00 0.00 O ATOM 766 OE2 GLU A 50 2.804 7.986 -4.684 1.00 0.00 O ATOM 0 H GLU A 50 -2.546 7.054 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.798 5.052 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.384 7.468 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.364 7.670 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.695 6.404 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.633 5.939 -3.927 1.00 0.00 H new ATOM 773 N ALA A 51 -0.733 5.512 -0.655 1.00 0.00 N ATOM 774 CA ALA A 51 -0.323 4.886 0.609 1.00 0.00 C ATOM 775 C ALA A 51 -0.707 3.412 0.655 1.00 0.00 C ATOM 776 O ALA A 51 0.151 2.568 0.912 1.00 0.00 O ATOM 777 CB ALA A 51 -0.917 5.630 1.798 1.00 0.00 C ATOM 0 H ALA A 51 -1.203 6.410 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 51 0.764 4.948 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.600 5.149 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.572 6.664 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.005 5.610 1.733 1.00 0.00 H new ATOM 783 N ILE A 52 -1.976 3.089 0.413 1.00 0.00 N ATOM 784 CA ILE A 52 -2.401 1.693 0.473 1.00 0.00 C ATOM 785 C ILE A 52 -1.648 0.867 -0.570 1.00 0.00 C ATOM 786 O ILE A 52 -1.148 -0.216 -0.262 1.00 0.00 O ATOM 787 CB ILE A 52 -3.924 1.535 0.292 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.673 2.444 1.275 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.340 0.083 0.478 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.442 2.097 2.731 1.00 0.00 C ATOM 0 H ILE A 52 -2.711 3.756 0.179 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.159 1.322 1.469 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.185 1.834 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.367 3.476 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.741 2.389 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.418 -0.006 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.832 -0.538 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.069 -0.248 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.005 2.784 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.775 1.076 2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.380 2.180 2.961 1.00 0.00 H new ATOM 802 N LEU A 53 -1.576 1.381 -1.801 1.00 0.00 N ATOM 803 CA LEU A 53 -0.951 0.649 -2.906 1.00 0.00 C ATOM 804 C LEU A 53 0.449 0.131 -2.561 1.00 0.00 C ATOM 805 O LEU A 53 0.882 -0.886 -3.107 1.00 0.00 O ATOM 806 CB LEU A 53 -0.934 1.497 -4.181 1.00 0.00 C ATOM 807 CG LEU A 53 -0.553 0.756 -5.465 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.590 -0.300 -5.804 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.400 1.739 -6.614 1.00 0.00 C ATOM 0 H LEU A 53 -1.942 2.298 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.566 -0.233 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.922 1.936 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.235 2.321 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 53 0.402 0.256 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.299 -0.814 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.656 -1.020 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.560 0.176 -5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.129 1.199 -7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.342 2.264 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.381 2.460 -6.374 1.00 0.00 H new ATOM 821 N LEU A 54 1.155 0.832 -1.668 1.00 0.00 N ATOM 822 CA LEU A 54 2.492 0.421 -1.227 1.00 0.00 C ATOM 823 C LEU A 54 2.554 -1.080 -0.900 1.00 0.00 C ATOM 824 O LEU A 54 3.562 -1.739 -1.163 1.00 0.00 O ATOM 825 CB LEU A 54 2.889 1.223 0.018 1.00 0.00 C ATOM 826 CG LEU A 54 3.595 2.561 -0.236 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.755 3.462 -1.126 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.897 3.254 1.086 1.00 0.00 C ATOM 0 H LEU A 54 0.820 1.692 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 54 3.184 0.617 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.990 1.416 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.542 0.602 0.632 1.00 0.00 H new ATOM 0 HG LEU A 54 4.533 2.359 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.280 4.403 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.584 2.971 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.798 3.659 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.398 4.203 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.966 3.438 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.544 2.618 1.691 1.00 0.00 H new ATOM 840 N GLY A 55 1.464 -1.600 -0.317 1.00 0.00 N ATOM 841 CA GLY A 55 1.385 -3.005 0.070 1.00 0.00 C ATOM 842 C GLY A 55 1.813 -3.982 -1.013 1.00 0.00 C ATOM 843 O GLY A 55 2.557 -4.923 -0.734 1.00 0.00 O ATOM 0 H GLY A 55 0.625 -1.061 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.008 -3.162 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.359 -3.231 0.361 1.00 0.00 H new ATOM 847 N LEU A 56 1.329 -3.782 -2.241 1.00 0.00 N ATOM 848 CA LEU A 56 1.663 -4.673 -3.360 1.00 0.00 C ATOM 849 C LEU A 56 3.166 -4.948 -3.435 1.00 0.00 C ATOM 850 O LEU A 56 3.581 -6.102 -3.538 1.00 0.00 O ATOM 851 CB LEU A 56 1.180 -4.088 -4.690 1.00 0.00 C ATOM 852 CG LEU A 56 -0.287 -3.648 -4.730 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.708 -3.329 -6.156 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.189 -4.718 -4.128 1.00 0.00 C ATOM 0 H LEU A 56 0.706 -3.013 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 56 1.150 -5.617 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.804 -3.229 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.338 -4.831 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.390 -2.743 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.753 -3.018 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.086 -2.524 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.587 -4.216 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.226 -4.384 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.084 -5.643 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.903 -4.893 -3.091 1.00 0.00 H new ATOM 866 N ARG A 57 3.975 -3.890 -3.388 1.00 0.00 N ATOM 867 CA ARG A 57 5.431 -4.035 -3.453 1.00 0.00 C ATOM 868 C ARG A 57 5.966 -4.831 -2.259 1.00 0.00 C ATOM 869 O ARG A 57 6.977 -5.525 -2.373 1.00 0.00 O ATOM 870 CB ARG A 57 6.101 -2.660 -3.522 1.00 0.00 C ATOM 871 CG ARG A 57 5.637 -1.825 -4.706 1.00 0.00 C ATOM 872 CD ARG A 57 6.447 -0.547 -4.846 1.00 0.00 C ATOM 873 NE ARG A 57 5.908 0.333 -5.884 1.00 0.00 N ATOM 874 CZ ARG A 57 6.306 1.593 -6.078 1.00 0.00 C ATOM 875 NH1 ARG A 57 7.253 2.127 -5.312 1.00 0.00 N ATOM 876 NH2 ARG A 57 5.756 2.320 -7.044 1.00 0.00 N ATOM 0 H ARG A 57 3.650 -2.927 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 57 5.672 -4.590 -4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.896 -2.116 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.181 -2.792 -3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.723 -2.412 -5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.583 -1.576 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.458 -0.019 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.481 -0.797 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 57 5.183 -0.039 -6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.681 1.573 -4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.551 3.090 -5.467 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.031 1.916 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.059 3.282 -7.193 1.00 0.00 H new ATOM 890 N TYR A 58 5.281 -4.724 -1.118 1.00 0.00 N ATOM 891 CA TYR A 58 5.665 -5.452 0.091 1.00 0.00 C ATOM 892 C TYR A 58 5.448 -6.956 -0.099 1.00 0.00 C ATOM 893 O TYR A 58 6.312 -7.767 0.236 1.00 0.00 O ATOM 894 CB TYR A 58 4.845 -4.953 1.286 1.00 0.00 C ATOM 895 CG TYR A 58 5.182 -5.632 2.596 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.238 -5.188 3.377 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.440 -6.715 3.051 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.550 -5.802 4.574 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.743 -7.335 4.248 1.00 0.00 C ATOM 900 CZ TYR A 58 5.800 -6.875 5.006 1.00 0.00 C ATOM 901 OH TYR A 58 6.106 -7.488 6.200 1.00 0.00 O ATOM 0 H TYR A 58 4.454 -4.137 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 58 6.723 -5.273 0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.000 -3.880 1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.786 -5.103 1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.827 -4.347 3.043 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.613 -7.078 2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.377 -5.443 5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.156 -8.175 4.588 1.00 0.00 H new ATOM 0 HH TYR A 58 5.481 -8.226 6.359 1.00 0.00 H new ATOM 911 N LYS A 59 4.281 -7.306 -0.642 1.00 0.00 N ATOM 912 CA LYS A 59 3.917 -8.699 -0.898 1.00 0.00 C ATOM 913 C LYS A 59 4.534 -9.227 -2.199 1.00 0.00 C ATOM 914 O LYS A 59 4.479 -10.428 -2.469 1.00 0.00 O ATOM 915 CB LYS A 59 2.395 -8.828 -0.969 1.00 0.00 C ATOM 916 CG LYS A 59 1.682 -8.382 0.300 1.00 0.00 C ATOM 917 CD LYS A 59 2.108 -9.207 1.504 1.00 0.00 C ATOM 918 CE LYS A 59 1.377 -8.773 2.765 1.00 0.00 C ATOM 919 NZ LYS A 59 -0.064 -9.156 2.736 1.00 0.00 N ATOM 0 H LYS A 59 3.564 -6.634 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 59 4.310 -9.297 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.028 -8.237 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.137 -9.867 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.895 -7.329 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.604 -8.469 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.910 -10.262 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.183 -9.107 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.855 -9.225 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.463 -7.692 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.425 -9.225 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.604 -8.435 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.169 -10.076 2.262 1.00 0.00 H new ATOM 933 N LYS A 60 5.111 -8.326 -3.005 1.00 0.00 N ATOM 934 CA LYS A 60 5.729 -8.697 -4.276 1.00 0.00 C ATOM 935 C LYS A 60 4.670 -9.139 -5.287 1.00 0.00 C ATOM 936 O LYS A 60 4.599 -10.312 -5.664 1.00 0.00 O ATOM 937 CB LYS A 60 6.777 -9.798 -4.071 1.00 0.00 C ATOM 938 CG LYS A 60 7.627 -10.074 -5.303 1.00 0.00 C ATOM 939 CD LYS A 60 8.505 -8.883 -5.658 1.00 0.00 C ATOM 940 CE LYS A 60 9.261 -9.111 -6.960 1.00 0.00 C ATOM 941 NZ LYS A 60 8.346 -9.170 -8.135 1.00 0.00 N ATOM 0 H LYS A 60 5.160 -7.329 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 60 6.234 -7.818 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.431 -9.515 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.271 -10.718 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.254 -10.948 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.979 -10.313 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.888 -7.989 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.215 -8.701 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.985 -8.309 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.825 -10.041 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.902 -9.105 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.823 -10.069 -8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.674 -8.378 -8.092 1.00 0.00 H new ATOM 955 N LEU A 61 3.836 -8.188 -5.709 1.00 0.00 N ATOM 956 CA LEU A 61 2.779 -8.468 -6.685 1.00 0.00 C ATOM 957 C LEU A 61 2.140 -7.182 -7.230 1.00 0.00 C ATOM 958 O LEU A 61 0.966 -7.178 -7.602 1.00 0.00 O ATOM 959 CB LEU A 61 1.713 -9.384 -6.067 1.00 0.00 C ATOM 960 CG LEU A 61 1.445 -9.174 -4.570 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.914 -7.775 -4.302 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.469 -10.221 -4.055 1.00 0.00 C ATOM 0 H LEU A 61 3.871 -7.219 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 61 3.240 -8.979 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.778 -9.241 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.016 -10.420 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 61 2.390 -9.284 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.733 -7.653 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.646 -7.038 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.018 -7.629 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.289 -10.059 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.472 -10.140 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.890 -11.215 -4.204 1.00 0.00 H new ATOM 974 N TYR A 62 2.920 -6.103 -7.305 1.00 0.00 N ATOM 975 CA TYR A 62 2.433 -4.817 -7.818 1.00 0.00 C ATOM 976 C TYR A 62 1.910 -4.919 -9.263 1.00 0.00 C ATOM 977 O TYR A 62 1.203 -4.025 -9.731 1.00 0.00 O ATOM 978 CB TYR A 62 3.565 -3.784 -7.744 1.00 0.00 C ATOM 979 CG TYR A 62 3.141 -2.364 -8.056 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.569 -1.559 -7.081 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.324 -1.828 -9.325 1.00 0.00 C ATOM 982 CE1 TYR A 62 2.189 -0.261 -7.360 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.944 -0.531 -9.613 1.00 0.00 C ATOM 984 CZ TYR A 62 2.378 0.248 -8.627 1.00 0.00 C ATOM 985 OH TYR A 62 2.000 1.542 -8.910 1.00 0.00 O ATOM 0 H TYR A 62 3.898 -6.092 -7.016 1.00 0.00 H new ATOM 0 HA TYR A 62 1.593 -4.507 -7.196 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.998 -3.809 -6.744 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.352 -4.076 -8.439 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.418 -1.954 -6.087 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.770 -2.435 -10.099 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.746 0.352 -6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.090 -0.130 -10.605 1.00 0.00 H new ATOM 0 HH TYR A 62 2.203 1.745 -9.847 1.00 0.00 H new ATOM 995 N ASN A 63 2.250 -6.009 -9.964 1.00 0.00 N ATOM 996 CA ASN A 63 1.830 -6.198 -11.354 1.00 0.00 C ATOM 997 C ASN A 63 0.356 -6.604 -11.486 1.00 0.00 C ATOM 998 O ASN A 63 -0.459 -5.825 -11.983 1.00 0.00 O ATOM 999 CB ASN A 63 2.718 -7.245 -12.037 1.00 0.00 C ATOM 1000 CG ASN A 63 4.176 -6.825 -12.107 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.491 -5.638 -12.198 1.00 0.00 O ATOM 1002 ND2 ASN A 63 5.077 -7.803 -12.067 1.00 0.00 N ATOM 0 H ASN A 63 2.814 -6.771 -9.589 1.00 0.00 H new ATOM 0 HA ASN A 63 1.942 -5.232 -11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.642 -8.188 -11.496 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.348 -7.426 -13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.072 -7.582 -12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.773 -8.774 -11.991 1.00 0.00 H new ATOM 1009 N GLN A 64 0.015 -7.819 -11.040 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.359 -8.326 -11.160 1.00 0.00 C ATOM 1011 C GLN A 64 -2.219 -8.022 -9.924 1.00 0.00 C ATOM 1012 O GLN A 64 -3.422 -8.291 -9.944 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.335 -9.834 -11.442 1.00 0.00 C ATOM 1014 CG GLN A 64 -2.699 -10.424 -11.767 1.00 0.00 C ATOM 1015 CD GLN A 64 -2.618 -11.868 -12.225 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.513 -12.148 -13.420 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -2.661 -12.797 -11.275 1.00 0.00 N ATOM 0 H GLN A 64 0.666 -8.466 -10.595 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.824 -7.803 -11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.659 -10.027 -12.275 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.925 -10.349 -10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.337 -10.362 -10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.173 -9.826 -12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.749 -12.522 -10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.606 -13.785 -11.525 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.645 -7.465 -8.860 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.434 -7.169 -7.661 1.00 0.00 C ATOM 1028 C ALA A 65 -3.333 -5.951 -7.871 1.00 0.00 C ATOM 1029 O ALA A 65 -4.476 -5.930 -7.411 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.528 -6.951 -6.463 1.00 0.00 C ATOM 0 H ALA A 65 -0.658 -7.213 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.072 -8.031 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.134 -6.733 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.939 -7.851 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.859 -6.113 -6.660 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.810 -4.942 -8.569 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.559 -3.716 -8.837 1.00 0.00 C ATOM 1038 C ARG A 66 -4.668 -3.935 -9.875 1.00 0.00 C ATOM 1039 O ARG A 66 -5.640 -3.178 -9.913 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.607 -2.613 -9.308 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.269 -1.250 -9.450 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.251 -0.160 -9.750 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.516 -0.412 -10.991 1.00 0.00 N ATOM 1044 CZ ARG A 66 -0.522 0.358 -11.439 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.147 1.441 -10.762 1.00 0.00 N ATOM 1046 NH2 ARG A 66 0.099 0.045 -12.572 1.00 0.00 N ATOM 0 H ARG A 66 -1.868 -4.951 -8.960 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.038 -3.412 -7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.780 -2.533 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.179 -2.901 -10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.010 -1.286 -10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.803 -1.007 -8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.761 0.801 -9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.546 -0.086 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.780 -1.225 -11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.620 1.689 -9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.614 2.023 -11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.184 -0.782 -13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.859 0.632 -12.916 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.526 -4.967 -10.712 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.525 -5.261 -11.742 1.00 0.00 C ATOM 1062 C VAL A 67 -6.600 -6.226 -11.233 1.00 0.00 C ATOM 1063 O VAL A 67 -7.775 -6.086 -11.575 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.879 -5.845 -13.021 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.816 -4.901 -13.561 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -4.287 -7.223 -12.763 1.00 0.00 C ATOM 0 H VAL A 67 -3.734 -5.609 -10.697 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.994 -4.309 -11.989 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.663 -5.953 -13.771 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.373 -5.328 -14.460 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.271 -3.940 -13.802 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.041 -4.757 -12.808 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.841 -7.605 -13.681 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.521 -7.151 -11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.074 -7.901 -12.432 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.192 -7.201 -10.414 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.124 -8.188 -9.863 1.00 0.00 C ATOM 1078 C LYS A 68 -8.105 -7.560 -8.874 1.00 0.00 C ATOM 1079 O LYS A 68 -9.197 -8.091 -8.659 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.357 -9.320 -9.176 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.767 -10.328 -10.147 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.856 -11.078 -10.900 1.00 0.00 C ATOM 1083 CE LYS A 68 -6.281 -12.199 -11.751 1.00 0.00 C ATOM 1084 NZ LYS A 68 -5.764 -13.323 -10.920 1.00 0.00 N ATOM 0 H LYS A 68 -5.224 -7.327 -10.119 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.699 -8.588 -10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.554 -8.892 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.027 -9.838 -8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.119 -9.815 -10.857 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.144 -11.038 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.572 -11.491 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.404 -10.383 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.051 -12.572 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.475 -11.806 -12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.412 -14.080 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.989 -12.981 -10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.530 -13.693 -10.322 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.712 -6.442 -8.266 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.567 -5.757 -7.303 1.00 0.00 C ATOM 1100 C TYR A 69 -8.802 -4.306 -7.711 1.00 0.00 C ATOM 1101 O TYR A 69 -8.066 -3.751 -8.530 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.943 -5.820 -5.908 1.00 0.00 C ATOM 1103 CG TYR A 69 -8.033 -7.184 -5.266 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -7.092 -8.167 -5.539 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -9.064 -7.487 -4.387 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.176 -9.415 -4.955 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -9.154 -8.731 -3.798 1.00 0.00 C ATOM 1108 CZ TYR A 69 -8.209 -9.692 -4.084 1.00 0.00 C ATOM 1109 OH TYR A 69 -8.300 -10.934 -3.498 1.00 0.00 O ATOM 0 H TYR A 69 -6.809 -5.994 -8.424 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.532 -6.263 -7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.895 -5.527 -5.974 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.437 -5.092 -5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.281 -7.952 -6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.807 -6.737 -4.161 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.437 -10.170 -5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.962 -8.951 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.255 -10.840 -2.524 1.00 0.00 H new ATOM 1119 N SER A 70 -9.840 -3.700 -7.138 1.00 0.00 N ATOM 1120 CA SER A 70 -10.176 -2.312 -7.434 1.00 0.00 C ATOM 1121 C SER A 70 -9.339 -1.351 -6.587 1.00 0.00 C ATOM 1122 O SER A 70 -9.785 -0.879 -5.538 1.00 0.00 O ATOM 1123 CB SER A 70 -11.669 -2.064 -7.200 1.00 0.00 C ATOM 1124 OG SER A 70 -12.462 -2.778 -8.133 1.00 0.00 O ATOM 0 H SER A 70 -10.462 -4.150 -6.466 1.00 0.00 H new ATOM 0 HA SER A 70 -9.948 -2.125 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.936 -2.366 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.880 -0.998 -7.281 1.00 0.00 H new ATOM 0 HG SER A 70 -13.410 -2.602 -7.959 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.116 -1.078 -7.046 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.210 -0.168 -6.346 1.00 0.00 C ATOM 1132 C LEU A 71 -7.290 1.227 -6.960 1.00 0.00 C ATOM 1133 O LEU A 71 -7.685 2.183 -6.293 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.767 -0.687 -6.403 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.496 -1.968 -5.605 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.139 -3.170 -6.276 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.001 -2.190 -5.438 1.00 0.00 C ATOM 0 H LEU A 71 -7.730 -1.476 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.516 -0.115 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.504 -0.866 -7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.103 0.096 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.940 -1.850 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.933 -4.067 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.216 -3.018 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.730 -3.289 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.830 -3.104 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.535 -2.281 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.565 -1.345 -4.906 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.914 1.333 -8.233 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.951 2.608 -8.941 1.00 0.00 C ATOM 1151 C LEU A 72 -8.205 2.699 -9.807 1.00 0.00 C ATOM 1152 O LEU A 72 -8.193 2.328 -10.982 1.00 0.00 O ATOM 1153 CB LEU A 72 -5.692 2.789 -9.797 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.441 3.250 -9.036 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -4.667 4.624 -8.421 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -4.057 2.242 -7.962 1.00 0.00 C ATOM 0 H LEU A 72 -6.580 0.550 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.980 3.410 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.469 1.843 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.907 3.514 -10.582 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.618 3.319 -9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.770 4.935 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.887 5.344 -9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.506 4.578 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.168 2.591 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.878 2.135 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.849 1.278 -8.426 1.00 0.00 H new ATOM 1168 N GLU A 73 -9.289 3.187 -9.206 1.00 0.00 N ATOM 1169 CA GLU A 73 -10.564 3.324 -9.901 1.00 0.00 C ATOM 1170 C GLU A 73 -10.813 4.777 -10.302 1.00 0.00 C ATOM 1171 O GLU A 73 -11.164 5.590 -9.417 1.00 0.00 O ATOM 1172 CB GLU A 73 -11.707 2.810 -9.015 1.00 0.00 C ATOM 1173 CG GLU A 73 -11.489 1.398 -8.487 1.00 0.00 C ATOM 1174 CD GLU A 73 -11.321 0.374 -9.595 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -12.345 -0.067 -10.156 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -10.164 0.011 -9.899 1.00 0.00 O ATOM 0 H GLU A 73 -9.307 3.495 -8.234 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.525 2.724 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.833 3.488 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.636 2.835 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.604 1.386 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.336 1.114 -7.862 1.00 0.00 H new TER 1183 GLU A 73