USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 711 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 17 GLN : amide:sc= -0.52 K(o=-0.25,f=-1.3!) USER MOD Set 1.2: A 26 CYS SG : rot 8:sc= 0.267 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 105:sc= 0.139 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 20 ASN : amide:sc= -2.27 K(o=-2.3,f=-7!) USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= -1.21 (180deg=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -28:sc= -1.13 USER MOD Single : A 32 SER OG : rot -55:sc= 0.189 USER MOD Single : A 34 ASN : amide:sc= -2.02! C(o=-2!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00402) USER MOD Single : A 40 THR OG1 : rot -3:sc= 0.33 USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= 1.67 (180deg=1.51) USER MOD Single : A 42 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 49 SER OG : rot -150:sc= -2.08 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.0624 (180deg=-0.323) USER MOD Single : A 56 GLN : amide:sc= -0.74 K(o=-0.74,f=-2) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc=-0.00736 (180deg=-0.153) USER MOD Single : A 61 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-2.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -32:sc= 0.366 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 38:sc= 0.522 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -14.049 -2.332 13.012 1.00 0.00 N ATOM 67 CA LEU A 8 -12.782 -2.817 12.474 1.00 0.00 C ATOM 68 C LEU A 8 -11.603 -2.115 13.141 1.00 0.00 C ATOM 69 O LEU A 8 -11.639 -0.907 13.378 1.00 0.00 O ATOM 70 CB LEU A 8 -12.731 -2.597 10.961 1.00 0.00 C ATOM 71 CG LEU A 8 -11.391 -2.891 10.285 1.00 0.00 C ATOM 72 CD1 LEU A 8 -11.192 -4.390 10.124 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.311 -2.193 8.935 1.00 0.00 C ATOM 0 HA LEU A 8 -12.711 -3.884 12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.494 -3.222 10.497 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.999 -1.561 10.755 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.593 -2.505 10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.233 -4.580 9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.205 -4.866 11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.995 -4.800 9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.351 -2.413 8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.117 -2.549 8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.408 -1.116 9.076 1.00 0.00 H new ATOM 85 N LYS A 9 -10.558 -2.879 13.439 1.00 0.00 N ATOM 86 CA LYS A 9 -9.366 -2.332 14.076 1.00 0.00 C ATOM 87 C LYS A 9 -8.107 -2.755 13.326 1.00 0.00 C ATOM 88 O LYS A 9 -8.057 -3.835 12.737 1.00 0.00 O ATOM 89 CB LYS A 9 -9.284 -2.792 15.533 1.00 0.00 C ATOM 90 CG LYS A 9 -8.553 -1.816 16.439 1.00 0.00 C ATOM 91 CD LYS A 9 -8.873 -2.067 17.903 1.00 0.00 C ATOM 92 CE LYS A 9 -10.167 -1.384 18.316 1.00 0.00 C ATOM 93 NZ LYS A 9 -10.274 -1.246 19.795 1.00 0.00 N ATOM 0 H LYS A 9 -10.512 -3.880 13.249 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.436 -1.245 14.049 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.294 -2.943 15.915 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.781 -3.758 15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.478 -1.906 16.280 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.830 -0.795 16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.954 -3.139 18.080 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.054 -1.702 18.523 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.220 -0.398 17.854 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.015 -1.957 17.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.170 -0.776 20.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.249 -2.188 20.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.478 -0.677 20.149 1.00 0.00 H new ATOM 107 N ILE A 10 -7.092 -1.898 13.354 1.00 0.00 N ATOM 108 CA ILE A 10 -5.832 -2.185 12.679 1.00 0.00 C ATOM 109 C ILE A 10 -4.804 -2.755 13.652 1.00 0.00 C ATOM 110 O ILE A 10 -4.514 -2.154 14.687 1.00 0.00 O ATOM 111 CB ILE A 10 -5.249 -0.924 12.015 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.199 -0.405 10.934 1.00 0.00 C ATOM 113 CG2 ILE A 10 -3.879 -1.221 11.424 1.00 0.00 C ATOM 114 CD1 ILE A 10 -6.586 -1.453 9.915 1.00 0.00 C ATOM 0 H ILE A 10 -7.117 -1.000 13.837 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.049 -2.925 11.908 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.136 -0.151 12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.102 -0.021 11.409 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.728 0.433 10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.480 -0.320 10.958 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.205 -1.549 12.215 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.969 -2.007 10.674 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.261 -1.014 9.180 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.691 -1.820 9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.086 -2.281 10.417 1.00 0.00 H new ATOM 126 N LEU A 11 -4.256 -3.916 13.312 1.00 0.00 N ATOM 127 CA LEU A 11 -3.259 -4.567 14.154 1.00 0.00 C ATOM 128 C LEU A 11 -1.853 -4.096 13.796 1.00 0.00 C ATOM 129 O LEU A 11 -1.075 -3.707 14.668 1.00 0.00 O ATOM 130 CB LEU A 11 -3.353 -6.087 14.008 1.00 0.00 C ATOM 131 CG LEU A 11 -4.685 -6.719 14.414 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.772 -8.151 13.908 1.00 0.00 C ATOM 133 CD2 LEU A 11 -4.858 -6.674 15.925 1.00 0.00 C ATOM 0 H LEU A 11 -4.485 -4.426 12.459 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.461 -4.295 15.190 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.153 -6.345 12.968 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.562 -6.539 14.606 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.492 -6.145 13.959 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.726 -8.585 14.206 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.694 -8.158 12.821 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.958 -8.737 14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.811 -7.128 16.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.046 -7.224 16.401 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.841 -5.638 16.262 1.00 0.00 H new ATOM 145 N THR A 12 -1.533 -4.132 12.506 1.00 0.00 N ATOM 146 CA THR A 12 -0.222 -3.708 12.032 1.00 0.00 C ATOM 147 C THR A 12 -0.347 -2.697 10.897 1.00 0.00 C ATOM 148 O THR A 12 -0.375 -3.052 9.719 1.00 0.00 O ATOM 149 CB THR A 12 0.614 -4.907 11.546 1.00 0.00 C ATOM 150 OG1 THR A 12 0.776 -5.854 12.608 1.00 0.00 O ATOM 151 CG2 THR A 12 1.980 -4.451 11.055 1.00 0.00 C ATOM 0 H THR A 12 -2.164 -4.451 11.771 1.00 0.00 H new ATOM 0 HA THR A 12 0.283 -3.240 12.877 1.00 0.00 H new ATOM 0 HB THR A 12 0.085 -5.378 10.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.196 -6.628 12.448 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.552 -5.315 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.855 -3.752 10.228 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.513 -3.958 11.868 1.00 0.00 H new ATOM 159 N PRO A 13 -0.424 -1.408 11.258 1.00 0.00 N ATOM 160 CA PRO A 13 -0.547 -0.319 10.284 1.00 0.00 C ATOM 161 C PRO A 13 0.730 -0.118 9.475 1.00 0.00 C ATOM 162 O PRO A 13 1.834 -0.340 9.974 1.00 0.00 O ATOM 163 CB PRO A 13 -0.826 0.907 11.156 1.00 0.00 C ATOM 164 CG PRO A 13 -0.234 0.573 12.481 1.00 0.00 C ATOM 165 CD PRO A 13 -0.397 -0.913 12.645 1.00 0.00 C ATOM 0 HA PRO A 13 -1.323 -0.519 9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.372 1.804 10.735 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.896 1.099 11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.818 0.857 12.521 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.741 1.112 13.282 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.427 -1.348 13.211 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.315 -1.160 13.178 1.00 0.00 H new ATOM 173 N LEU A 14 0.573 0.302 8.225 1.00 0.00 N ATOM 174 CA LEU A 14 1.715 0.534 7.347 1.00 0.00 C ATOM 175 C LEU A 14 2.765 1.400 8.035 1.00 0.00 C ATOM 176 O LEU A 14 2.436 2.381 8.703 1.00 0.00 O ATOM 177 CB LEU A 14 1.257 1.202 6.049 1.00 0.00 C ATOM 178 CG LEU A 14 0.138 0.492 5.286 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.655 1.487 4.454 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.709 -0.609 4.404 1.00 0.00 C ATOM 0 H LEU A 14 -0.333 0.489 7.796 1.00 0.00 H new ATOM 0 HA LEU A 14 2.164 -0.431 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.925 2.214 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.119 1.294 5.388 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.537 0.036 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.447 0.964 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.095 2.239 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.008 1.973 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.102 -1.103 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.406 -0.176 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.232 -1.337 5.024 1.00 0.00 H new ATOM 192 N THR A 15 4.031 1.032 7.867 1.00 0.00 N ATOM 193 CA THR A 15 5.130 1.775 8.471 1.00 0.00 C ATOM 194 C THR A 15 5.984 2.454 7.407 1.00 0.00 C ATOM 195 O THR A 15 6.045 2.002 6.264 1.00 0.00 O ATOM 196 CB THR A 15 6.026 0.857 9.324 1.00 0.00 C ATOM 197 OG1 THR A 15 6.505 -0.235 8.531 1.00 0.00 O ATOM 198 CG2 THR A 15 5.264 0.321 10.526 1.00 0.00 C ATOM 0 H THR A 15 4.321 0.223 7.317 1.00 0.00 H new ATOM 0 HA THR A 15 4.684 2.534 9.114 1.00 0.00 H new ATOM 0 HB THR A 15 6.872 1.444 9.682 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.075 -0.813 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.918 -0.324 11.113 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.926 1.153 11.143 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.401 -0.251 10.184 1.00 0.00 H new ATOM 206 N ASP A 16 6.643 3.543 7.791 1.00 0.00 N ATOM 207 CA ASP A 16 7.496 4.284 6.869 1.00 0.00 C ATOM 208 C ASP A 16 8.632 3.406 6.354 1.00 0.00 C ATOM 209 O ASP A 16 9.458 2.927 7.129 1.00 0.00 O ATOM 210 CB ASP A 16 8.066 5.526 7.556 1.00 0.00 C ATOM 211 CG ASP A 16 8.439 5.268 9.003 1.00 0.00 C ATOM 212 OD1 ASP A 16 9.169 4.288 9.261 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.000 6.044 9.877 1.00 0.00 O ATOM 0 H ASP A 16 6.603 3.931 8.733 1.00 0.00 H new ATOM 0 HA ASP A 16 6.888 4.594 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.947 5.866 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.333 6.331 7.511 1.00 0.00 H new ATOM 218 N GLN A 17 8.664 3.199 5.041 1.00 0.00 N ATOM 219 CA GLN A 17 9.698 2.377 4.423 1.00 0.00 C ATOM 220 C GLN A 17 10.425 3.149 3.327 1.00 0.00 C ATOM 221 O GLN A 17 9.819 3.563 2.338 1.00 0.00 O ATOM 222 CB GLN A 17 9.085 1.101 3.844 1.00 0.00 C ATOM 223 CG GLN A 17 8.531 0.158 4.900 1.00 0.00 C ATOM 224 CD GLN A 17 8.486 -1.283 4.431 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.343 -1.725 3.666 1.00 0.00 O ATOM 226 NE2 GLN A 17 7.484 -2.024 4.889 1.00 0.00 N ATOM 0 H GLN A 17 7.987 3.589 4.386 1.00 0.00 H new ATOM 0 HA GLN A 17 10.421 2.108 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.285 1.372 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.842 0.576 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.144 0.224 5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.526 0.478 5.176 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.796 -1.616 5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.402 -3.001 4.608 1.00 0.00 H new ATOM 235 N THR A 18 11.728 3.341 3.509 1.00 0.00 N ATOM 236 CA THR A 18 12.537 4.064 2.537 1.00 0.00 C ATOM 237 C THR A 18 13.525 3.134 1.843 1.00 0.00 C ATOM 238 O THR A 18 14.262 2.396 2.496 1.00 0.00 O ATOM 239 CB THR A 18 13.315 5.217 3.200 1.00 0.00 C ATOM 240 OG1 THR A 18 12.401 6.192 3.715 1.00 0.00 O ATOM 241 CG2 THR A 18 14.259 5.875 2.206 1.00 0.00 C ATOM 0 H THR A 18 12.245 3.005 4.322 1.00 0.00 H new ATOM 0 HA THR A 18 11.849 4.476 1.798 1.00 0.00 H new ATOM 0 HB THR A 18 13.905 4.804 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.903 6.921 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.797 6.686 2.697 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.972 5.137 1.838 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.686 6.274 1.369 1.00 0.00 H new ATOM 249 N VAL A 19 13.534 3.174 0.514 1.00 0.00 N ATOM 250 CA VAL A 19 14.433 2.335 -0.270 1.00 0.00 C ATOM 251 C VAL A 19 15.102 3.135 -1.382 1.00 0.00 C ATOM 252 O VAL A 19 14.771 4.298 -1.608 1.00 0.00 O ATOM 253 CB VAL A 19 13.687 1.139 -0.890 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.081 0.265 0.198 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.616 1.623 -1.855 1.00 0.00 C ATOM 0 H VAL A 19 12.929 3.778 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 19 15.195 1.963 0.414 1.00 0.00 H new ATOM 0 HB VAL A 19 14.403 0.536 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.558 -0.575 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.873 -0.110 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.378 0.853 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.098 0.765 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.901 2.248 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.080 2.203 -2.653 1.00 0.00 H new ATOM 265 N ASN A 20 16.044 2.503 -2.074 1.00 0.00 N ATOM 266 CA ASN A 20 16.760 3.157 -3.164 1.00 0.00 C ATOM 267 C ASN A 20 16.051 2.926 -4.495 1.00 0.00 C ATOM 268 O ASN A 20 15.288 1.972 -4.648 1.00 0.00 O ATOM 269 CB ASN A 20 18.197 2.637 -3.242 1.00 0.00 C ATOM 270 CG ASN A 20 19.052 3.126 -2.089 1.00 0.00 C ATOM 271 OD1 ASN A 20 19.249 4.329 -1.914 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.565 2.193 -1.295 1.00 0.00 N ATOM 0 H ASN A 20 16.330 1.539 -1.900 1.00 0.00 H new ATOM 0 HA ASN A 20 16.779 4.228 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.186 1.547 -3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.645 2.955 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.148 2.462 -0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.376 1.208 -1.478 1.00 0.00 H new ATOM 279 N LEU A 21 16.309 3.807 -5.456 1.00 0.00 N ATOM 280 CA LEU A 21 15.696 3.700 -6.776 1.00 0.00 C ATOM 281 C LEU A 21 16.019 2.355 -7.419 1.00 0.00 C ATOM 282 O LEU A 21 17.181 1.962 -7.510 1.00 0.00 O ATOM 283 CB LEU A 21 16.179 4.838 -7.677 1.00 0.00 C ATOM 284 CG LEU A 21 15.378 5.064 -8.960 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.140 5.900 -8.675 1.00 0.00 C ATOM 286 CD2 LEU A 21 16.243 5.732 -10.018 1.00 0.00 C ATOM 0 H LEU A 21 16.938 4.603 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 21 14.615 3.774 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.169 5.762 -7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.216 4.644 -7.949 1.00 0.00 H new ATOM 0 HG LEU A 21 15.057 4.095 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.582 6.051 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.510 5.383 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.439 6.867 -8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.657 5.885 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.594 6.695 -9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.099 5.096 -10.243 1.00 0.00 H new ATOM 298 N GLY A 22 14.981 1.654 -7.865 1.00 0.00 N ATOM 299 CA GLY A 22 15.175 0.361 -8.495 1.00 0.00 C ATOM 300 C GLY A 22 14.763 -0.790 -7.599 1.00 0.00 C ATOM 301 O GLY A 22 14.295 -1.823 -8.077 1.00 0.00 O ATOM 0 H GLY A 22 14.010 1.958 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.599 0.321 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.224 0.247 -8.768 1.00 0.00 H new ATOM 305 N LYS A 23 14.939 -0.612 -6.294 1.00 0.00 N ATOM 306 CA LYS A 23 14.582 -1.644 -5.326 1.00 0.00 C ATOM 307 C LYS A 23 13.116 -2.038 -5.467 1.00 0.00 C ATOM 308 O LYS A 23 12.283 -1.229 -5.874 1.00 0.00 O ATOM 309 CB LYS A 23 14.855 -1.153 -3.903 1.00 0.00 C ATOM 310 CG LYS A 23 16.264 -1.446 -3.418 1.00 0.00 C ATOM 311 CD LYS A 23 16.432 -2.910 -3.045 1.00 0.00 C ATOM 312 CE LYS A 23 16.018 -3.169 -1.605 1.00 0.00 C ATOM 313 NZ LYS A 23 14.540 -3.097 -1.431 1.00 0.00 N ATOM 0 H LYS A 23 15.327 0.237 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 23 15.196 -2.522 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.681 -0.078 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.142 -1.619 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.980 -1.184 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.490 -0.821 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.833 -3.528 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.472 -3.205 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.372 -4.152 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.497 -2.439 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.250 -3.732 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.265 -2.121 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.072 -3.387 -2.313 1.00 0.00 H new ATOM 327 N GLU A 24 12.808 -3.286 -5.127 1.00 0.00 N ATOM 328 CA GLU A 24 11.441 -3.786 -5.215 1.00 0.00 C ATOM 329 C GLU A 24 10.611 -3.313 -4.025 1.00 0.00 C ATOM 330 O GLU A 24 10.572 -3.968 -2.983 1.00 0.00 O ATOM 331 CB GLU A 24 11.436 -5.314 -5.279 1.00 0.00 C ATOM 332 CG GLU A 24 10.058 -5.910 -5.515 1.00 0.00 C ATOM 333 CD GLU A 24 10.119 -7.311 -6.090 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.626 -7.468 -7.220 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.659 -8.252 -5.408 1.00 0.00 O ATOM 0 H GLU A 24 13.486 -3.969 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 24 10.995 -3.390 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.104 -5.638 -6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.839 -5.709 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.509 -5.931 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.499 -5.266 -6.195 1.00 0.00 H new ATOM 342 N ILE A 25 9.949 -2.173 -4.188 1.00 0.00 N ATOM 343 CA ILE A 25 9.119 -1.613 -3.128 1.00 0.00 C ATOM 344 C ILE A 25 8.354 -2.708 -2.393 1.00 0.00 C ATOM 345 O ILE A 25 8.102 -3.780 -2.943 1.00 0.00 O ATOM 346 CB ILE A 25 8.116 -0.584 -3.683 1.00 0.00 C ATOM 347 CG1 ILE A 25 8.855 0.542 -4.408 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.257 -0.024 -2.559 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.806 1.312 -3.518 1.00 0.00 C ATOM 0 H ILE A 25 9.971 -1.619 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 25 9.791 -1.113 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 25 7.463 -1.084 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.413 0.120 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.125 1.233 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.553 0.702 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.707 -0.835 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.895 0.463 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.295 2.094 -4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.250 1.764 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.559 0.634 -3.117 1.00 0.00 H new ATOM 361 N CYS A 26 7.985 -2.429 -1.148 1.00 0.00 N ATOM 362 CA CYS A 26 7.247 -3.390 -0.336 1.00 0.00 C ATOM 363 C CYS A 26 6.476 -2.685 0.776 1.00 0.00 C ATOM 364 O CYS A 26 6.991 -1.768 1.417 1.00 0.00 O ATOM 365 CB CYS A 26 8.202 -4.423 0.265 1.00 0.00 C ATOM 366 SG CYS A 26 9.068 -3.853 1.747 1.00 0.00 S ATOM 0 H CYS A 26 8.185 -1.546 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 26 6.532 -3.900 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.639 -5.323 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.939 -4.703 -0.488 1.00 0.00 H new ATOM 0 HG CYS A 26 8.584 -2.705 2.118 1.00 0.00 H new ATOM 372 N LEU A 27 5.240 -3.117 0.997 1.00 0.00 N ATOM 373 CA LEU A 27 4.397 -2.526 2.030 1.00 0.00 C ATOM 374 C LEU A 27 3.351 -3.525 2.517 1.00 0.00 C ATOM 375 O LEU A 27 2.419 -3.868 1.791 1.00 0.00 O ATOM 376 CB LEU A 27 3.708 -1.269 1.497 1.00 0.00 C ATOM 377 CG LEU A 27 4.605 -0.048 1.292 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.841 1.064 0.589 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.154 0.440 2.625 1.00 0.00 C ATOM 0 H LEU A 27 4.799 -3.874 0.475 1.00 0.00 H new ATOM 0 HA LEU A 27 5.034 -2.255 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.237 -1.513 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.909 -0.996 2.187 1.00 0.00 H new ATOM 0 HG LEU A 27 5.444 -0.340 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.496 1.925 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.497 0.711 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.982 1.354 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.790 1.310 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.327 0.714 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.738 -0.354 3.091 1.00 0.00 H new ATOM 391 N LYS A 28 3.512 -3.986 3.753 1.00 0.00 N ATOM 392 CA LYS A 28 2.582 -4.943 4.340 1.00 0.00 C ATOM 393 C LYS A 28 1.816 -4.315 5.500 1.00 0.00 C ATOM 394 O LYS A 28 2.335 -3.445 6.200 1.00 0.00 O ATOM 395 CB LYS A 28 3.333 -6.185 4.824 1.00 0.00 C ATOM 396 CG LYS A 28 2.429 -7.244 5.431 1.00 0.00 C ATOM 397 CD LYS A 28 3.182 -8.122 6.416 1.00 0.00 C ATOM 398 CE LYS A 28 3.978 -9.204 5.703 1.00 0.00 C ATOM 399 NZ LYS A 28 4.531 -10.206 6.656 1.00 0.00 N ATOM 0 H LYS A 28 4.278 -3.712 4.368 1.00 0.00 H new ATOM 0 HA LYS A 28 1.867 -5.235 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.877 -6.620 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.075 -5.885 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.592 -6.763 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.009 -7.863 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.856 -7.507 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.476 -8.584 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.338 -9.707 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.794 -8.746 5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.067 -10.926 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.162 -9.730 7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.751 -10.662 7.171 1.00 0.00 H new ATOM 413 N CYS A 29 0.581 -4.762 5.698 1.00 0.00 N ATOM 414 CA CYS A 29 -0.257 -4.244 6.774 1.00 0.00 C ATOM 415 C CYS A 29 -1.255 -5.298 7.242 1.00 0.00 C ATOM 416 O CYS A 29 -1.851 -6.005 6.430 1.00 0.00 O ATOM 417 CB CYS A 29 -1.000 -2.989 6.312 1.00 0.00 C ATOM 418 SG CYS A 29 -1.948 -3.213 4.788 1.00 0.00 S ATOM 0 H CYS A 29 0.138 -5.482 5.128 1.00 0.00 H new ATOM 0 HA CYS A 29 0.390 -3.986 7.612 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.676 -2.668 7.104 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.278 -2.186 6.164 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.392 -4.138 4.063 1.00 0.00 H new ATOM 424 N GLU A 30 -1.430 -5.397 8.556 1.00 0.00 N ATOM 425 CA GLU A 30 -2.355 -6.367 9.131 1.00 0.00 C ATOM 426 C GLU A 30 -3.647 -5.689 9.578 1.00 0.00 C ATOM 427 O GLU A 30 -3.651 -4.508 9.926 1.00 0.00 O ATOM 428 CB GLU A 30 -1.705 -7.083 10.317 1.00 0.00 C ATOM 429 CG GLU A 30 -2.489 -8.290 10.804 1.00 0.00 C ATOM 430 CD GLU A 30 -1.719 -9.118 11.814 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.888 -8.540 12.545 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.949 -10.344 11.874 1.00 0.00 O ATOM 0 H GLU A 30 -0.944 -4.818 9.241 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.598 -7.100 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.702 -7.402 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.593 -6.377 11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.424 -7.954 11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.751 -8.916 9.951 1.00 0.00 H new ATOM 439 N ILE A 31 -4.740 -6.444 9.564 1.00 0.00 N ATOM 440 CA ILE A 31 -6.037 -5.917 9.968 1.00 0.00 C ATOM 441 C ILE A 31 -6.791 -6.918 10.838 1.00 0.00 C ATOM 442 O ILE A 31 -6.358 -8.058 11.007 1.00 0.00 O ATOM 443 CB ILE A 31 -6.904 -5.559 8.747 1.00 0.00 C ATOM 444 CG1 ILE A 31 -6.982 -6.746 7.785 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.345 -4.334 8.041 1.00 0.00 C ATOM 446 CD1 ILE A 31 -7.790 -6.461 6.538 1.00 0.00 C ATOM 0 H ILE A 31 -4.753 -7.423 9.277 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.844 -5.012 10.544 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.912 -5.327 9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.972 -7.036 7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.421 -7.597 8.306 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.969 -4.094 7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.336 -3.489 8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.328 -4.539 7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.802 -7.346 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.811 -6.201 6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.340 -5.630 5.995 1.00 0.00 H new ATOM 458 N SER A 32 -7.921 -6.484 11.386 1.00 0.00 N ATOM 459 CA SER A 32 -8.735 -7.341 12.240 1.00 0.00 C ATOM 460 C SER A 32 -9.964 -7.846 11.489 1.00 0.00 C ATOM 461 O SER A 32 -11.065 -7.884 12.036 1.00 0.00 O ATOM 462 CB SER A 32 -9.167 -6.583 13.496 1.00 0.00 C ATOM 463 OG SER A 32 -9.689 -7.468 14.472 1.00 0.00 O ATOM 0 H SER A 32 -8.294 -5.544 11.254 1.00 0.00 H new ATOM 0 HA SER A 32 -8.131 -8.200 12.533 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.315 -6.042 13.909 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.920 -5.840 13.235 1.00 0.00 H new ATOM 0 HG SER A 32 -10.422 -7.989 14.083 1.00 0.00 H new ATOM 469 N GLU A 33 -9.764 -8.233 10.233 1.00 0.00 N ATOM 470 CA GLU A 33 -10.856 -8.736 9.407 1.00 0.00 C ATOM 471 C GLU A 33 -10.320 -9.379 8.130 1.00 0.00 C ATOM 472 O GLU A 33 -9.182 -9.138 7.732 1.00 0.00 O ATOM 473 CB GLU A 33 -11.821 -7.602 9.054 1.00 0.00 C ATOM 474 CG GLU A 33 -13.222 -8.081 8.710 1.00 0.00 C ATOM 475 CD GLU A 33 -13.827 -8.944 9.800 1.00 0.00 C ATOM 476 OE1 GLU A 33 -13.843 -8.500 10.968 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.285 -10.062 9.487 1.00 0.00 O ATOM 0 H GLU A 33 -8.858 -8.208 9.766 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.391 -9.494 9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.879 -6.910 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.419 -7.044 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.865 -7.218 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.190 -8.647 7.779 1.00 0.00 H new ATOM 484 N ASN A 34 -11.151 -10.198 7.494 1.00 0.00 N ATOM 485 CA ASN A 34 -10.762 -10.877 6.264 1.00 0.00 C ATOM 486 C ASN A 34 -11.551 -10.341 5.073 1.00 0.00 C ATOM 487 O ASN A 34 -12.287 -11.081 4.419 1.00 0.00 O ATOM 488 CB ASN A 34 -10.982 -12.385 6.398 1.00 0.00 C ATOM 489 CG ASN A 34 -10.607 -13.139 5.135 1.00 0.00 C ATOM 490 OD1 ASN A 34 -10.371 -12.537 4.088 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.552 -14.462 5.231 1.00 0.00 N ATOM 0 H ASN A 34 -12.098 -10.407 7.810 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.703 -10.684 6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.391 -12.763 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.028 -12.577 6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.306 -15.023 4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.756 -14.918 6.120 1.00 0.00 H new ATOM 498 N ILE A 35 -11.392 -9.051 4.798 1.00 0.00 N ATOM 499 CA ILE A 35 -12.088 -8.416 3.686 1.00 0.00 C ATOM 500 C ILE A 35 -11.105 -7.747 2.732 1.00 0.00 C ATOM 501 O ILE A 35 -10.017 -7.321 3.120 1.00 0.00 O ATOM 502 CB ILE A 35 -13.100 -7.366 4.181 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.397 -6.313 5.040 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.219 -8.036 4.964 1.00 0.00 C ATOM 505 CD1 ILE A 35 -11.876 -5.135 4.247 1.00 0.00 C ATOM 0 H ILE A 35 -10.787 -8.425 5.330 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.624 -9.205 3.158 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.537 -6.868 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.092 -5.951 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.566 -6.782 5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.926 -7.281 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.735 -8.751 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.799 -8.557 5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.390 -4.429 4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.156 -5.484 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.706 -4.641 3.741 1.00 0.00 H new ATOM 517 N PRO A 36 -11.495 -7.651 1.452 1.00 0.00 N ATOM 518 CA PRO A 36 -10.663 -7.032 0.415 1.00 0.00 C ATOM 519 C PRO A 36 -10.540 -5.523 0.594 1.00 0.00 C ATOM 520 O PRO A 36 -11.305 -4.913 1.340 1.00 0.00 O ATOM 521 CB PRO A 36 -11.410 -7.359 -0.880 1.00 0.00 C ATOM 522 CG PRO A 36 -12.827 -7.546 -0.463 1.00 0.00 C ATOM 523 CD PRO A 36 -12.778 -8.137 0.918 1.00 0.00 C ATOM 0 HA PRO A 36 -9.639 -7.404 0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.314 -6.552 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.013 -8.259 -1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.362 -6.596 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.352 -8.207 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.618 -7.805 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.815 -9.226 0.891 1.00 0.00 H new ATOM 531 N GLY A 37 -9.573 -4.926 -0.096 1.00 0.00 N ATOM 532 CA GLY A 37 -9.369 -3.493 0.000 1.00 0.00 C ATOM 533 C GLY A 37 -8.644 -2.928 -1.205 1.00 0.00 C ATOM 534 O GLY A 37 -8.297 -3.662 -2.131 1.00 0.00 O ATOM 0 H GLY A 37 -8.927 -5.410 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.335 -2.998 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.798 -3.270 0.901 1.00 0.00 H new ATOM 538 N LYS A 38 -8.416 -1.619 -1.197 1.00 0.00 N ATOM 539 CA LYS A 38 -7.729 -0.954 -2.298 1.00 0.00 C ATOM 540 C LYS A 38 -6.735 0.078 -1.774 1.00 0.00 C ATOM 541 O LYS A 38 -6.925 0.647 -0.699 1.00 0.00 O ATOM 542 CB LYS A 38 -8.742 -0.278 -3.225 1.00 0.00 C ATOM 543 CG LYS A 38 -9.227 1.068 -2.716 1.00 0.00 C ATOM 544 CD LYS A 38 -10.620 1.390 -3.232 1.00 0.00 C ATOM 545 CE LYS A 38 -10.570 2.020 -4.616 1.00 0.00 C ATOM 546 NZ LYS A 38 -10.198 3.460 -4.556 1.00 0.00 N ATOM 0 H LYS A 38 -8.697 -0.997 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.180 -1.709 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.290 -0.144 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.599 -0.938 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.233 1.065 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.533 1.848 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.216 0.478 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.118 2.069 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.849 1.484 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.542 1.916 -5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.224 3.866 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.871 3.967 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.238 3.555 -4.166 1.00 0.00 H new ATOM 560 N TRP A 39 -5.677 0.315 -2.541 1.00 0.00 N ATOM 561 CA TRP A 39 -4.654 1.280 -2.155 1.00 0.00 C ATOM 562 C TRP A 39 -4.818 2.585 -2.926 1.00 0.00 C ATOM 563 O TRP A 39 -5.322 2.596 -4.049 1.00 0.00 O ATOM 564 CB TRP A 39 -3.259 0.701 -2.399 1.00 0.00 C ATOM 565 CG TRP A 39 -3.021 -0.596 -1.686 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.653 -1.785 -1.916 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.088 -0.833 -0.627 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.168 -2.747 -1.063 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.206 -2.189 -0.264 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.162 -0.034 0.047 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.434 -2.759 0.745 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.396 -0.601 1.049 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.535 -1.953 1.389 1.00 0.00 C ATOM 0 H TRP A 39 -5.505 -0.148 -3.434 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.771 1.491 -1.092 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.118 0.550 -3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.511 1.426 -2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.421 -1.945 -2.659 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.475 -3.719 -1.030 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.046 1.009 -0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.541 -3.801 1.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.321 0.009 1.578 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.079 -2.367 2.175 1.00 0.00 H new ATOM 584 N THR A 40 -4.389 3.686 -2.316 1.00 0.00 N ATOM 585 CA THR A 40 -4.489 4.996 -2.945 1.00 0.00 C ATOM 586 C THR A 40 -3.281 5.862 -2.608 1.00 0.00 C ATOM 587 O THR A 40 -2.828 5.897 -1.463 1.00 0.00 O ATOM 588 CB THR A 40 -5.771 5.732 -2.509 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.884 5.715 -1.082 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.002 5.087 -3.128 1.00 0.00 C ATOM 0 H THR A 40 -3.969 3.695 -1.387 1.00 0.00 H new ATOM 0 HA THR A 40 -4.523 4.828 -4.021 1.00 0.00 H new ATOM 0 HB THR A 40 -5.707 6.763 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.145 5.196 -0.701 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.895 5.623 -2.806 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.926 5.128 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.068 4.047 -2.807 1.00 0.00 H new ATOM 598 N LYS A 41 -2.761 6.561 -3.611 1.00 0.00 N ATOM 599 CA LYS A 41 -1.606 7.430 -3.421 1.00 0.00 C ATOM 600 C LYS A 41 -2.025 8.896 -3.396 1.00 0.00 C ATOM 601 O LYS A 41 -2.914 9.310 -4.139 1.00 0.00 O ATOM 602 CB LYS A 41 -0.581 7.200 -4.535 1.00 0.00 C ATOM 603 CG LYS A 41 0.603 8.150 -4.478 1.00 0.00 C ATOM 604 CD LYS A 41 1.525 7.965 -5.671 1.00 0.00 C ATOM 605 CE LYS A 41 2.583 9.055 -5.732 1.00 0.00 C ATOM 606 NZ LYS A 41 3.581 8.922 -4.635 1.00 0.00 N ATOM 0 H LYS A 41 -3.122 6.543 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.152 7.185 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.216 6.174 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.076 7.307 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.244 9.179 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.161 7.983 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.009 6.990 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.939 7.974 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.093 9.012 -6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.102 10.031 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.405 9.522 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.151 9.220 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.885 7.930 -4.561 1.00 0.00 H new ATOM 620 N ASN A 42 -1.378 9.677 -2.537 1.00 0.00 N ATOM 621 CA ASN A 42 -1.684 11.098 -2.417 1.00 0.00 C ATOM 622 C ASN A 42 -3.173 11.354 -2.626 1.00 0.00 C ATOM 623 O ASN A 42 -3.561 12.280 -3.337 1.00 0.00 O ATOM 624 CB ASN A 42 -0.869 11.904 -3.430 1.00 0.00 C ATOM 625 CG ASN A 42 0.479 12.330 -2.880 1.00 0.00 C ATOM 626 OD1 ASN A 42 0.650 13.464 -2.435 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.444 11.418 -2.911 1.00 0.00 N ATOM 0 H ASN A 42 -0.639 9.350 -1.914 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.417 11.417 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.719 11.307 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.434 12.788 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.373 11.646 -2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.256 10.490 -3.289 1.00 0.00 H new ATOM 634 N GLY A 43 -4.004 10.525 -2.001 1.00 0.00 N ATOM 635 CA GLY A 43 -5.442 10.678 -2.131 1.00 0.00 C ATOM 636 C GLY A 43 -5.926 10.426 -3.545 1.00 0.00 C ATOM 637 O GLY A 43 -6.763 11.166 -4.064 1.00 0.00 O ATOM 0 H GLY A 43 -3.707 9.751 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.941 9.987 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.726 11.685 -1.827 1.00 0.00 H new ATOM 641 N LEU A 44 -5.398 9.380 -4.172 1.00 0.00 N ATOM 642 CA LEU A 44 -5.781 9.033 -5.536 1.00 0.00 C ATOM 643 C LEU A 44 -5.760 7.522 -5.740 1.00 0.00 C ATOM 644 O LEU A 44 -4.975 6.798 -5.126 1.00 0.00 O ATOM 645 CB LEU A 44 -4.840 9.707 -6.538 1.00 0.00 C ATOM 646 CG LEU A 44 -4.734 11.229 -6.439 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.574 11.738 -7.280 1.00 0.00 C ATOM 648 CD2 LEU A 44 -6.037 11.884 -6.873 1.00 0.00 C ATOM 0 H LEU A 44 -4.704 8.758 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.797 9.390 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.843 9.284 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.169 9.450 -7.545 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.546 11.494 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.514 12.823 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.644 11.295 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.732 11.461 -8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.943 12.967 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.255 11.611 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.848 11.543 -6.229 1.00 0.00 H new ATOM 660 N PRO A 45 -6.641 7.031 -6.624 1.00 0.00 N ATOM 661 CA PRO A 45 -6.742 5.601 -6.931 1.00 0.00 C ATOM 662 C PRO A 45 -5.532 5.088 -7.704 1.00 0.00 C ATOM 663 O PRO A 45 -5.272 5.518 -8.828 1.00 0.00 O ATOM 664 CB PRO A 45 -8.004 5.512 -7.793 1.00 0.00 C ATOM 665 CG PRO A 45 -8.139 6.862 -8.408 1.00 0.00 C ATOM 666 CD PRO A 45 -7.606 7.835 -7.393 1.00 0.00 C ATOM 0 HA PRO A 45 -6.782 4.992 -6.028 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.909 4.738 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.878 5.262 -7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.578 6.924 -9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.180 7.079 -8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.127 8.691 -7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.399 8.227 -6.757 1.00 0.00 H new ATOM 674 N VAL A 46 -4.795 4.164 -7.095 1.00 0.00 N ATOM 675 CA VAL A 46 -3.613 3.590 -7.727 1.00 0.00 C ATOM 676 C VAL A 46 -3.998 2.678 -8.886 1.00 0.00 C ATOM 677 O VAL A 46 -4.894 1.844 -8.761 1.00 0.00 O ATOM 678 CB VAL A 46 -2.769 2.790 -6.717 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.535 2.212 -7.391 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.381 3.666 -5.535 1.00 0.00 C ATOM 0 H VAL A 46 -4.996 3.797 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.020 4.423 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.370 1.961 -6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.951 1.650 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.840 1.549 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.928 3.022 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.785 3.085 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.798 4.516 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.282 4.025 -5.037 1.00 0.00 H new ATOM 690 N GLN A 47 -3.313 2.843 -10.014 1.00 0.00 N ATOM 691 CA GLN A 47 -3.584 2.034 -11.196 1.00 0.00 C ATOM 692 C GLN A 47 -2.785 0.736 -11.162 1.00 0.00 C ATOM 693 O GLN A 47 -1.554 0.754 -11.153 1.00 0.00 O ATOM 694 CB GLN A 47 -3.249 2.820 -12.465 1.00 0.00 C ATOM 695 CG GLN A 47 -3.399 2.008 -13.741 1.00 0.00 C ATOM 696 CD GLN A 47 -2.495 2.498 -14.855 1.00 0.00 C ATOM 697 OE1 GLN A 47 -2.850 3.413 -15.600 1.00 0.00 O ATOM 698 NE2 GLN A 47 -1.320 1.892 -14.975 1.00 0.00 N ATOM 0 H GLN A 47 -2.567 3.529 -10.133 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.645 1.786 -11.200 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.897 3.694 -12.522 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.225 3.186 -12.396 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.175 0.962 -13.530 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.436 2.051 -14.074 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.067 1.139 -14.336 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.670 2.180 -15.706 1.00 0.00 H new ATOM 707 N GLU A 48 -3.493 -0.389 -11.143 1.00 0.00 N ATOM 708 CA GLU A 48 -2.848 -1.696 -11.108 1.00 0.00 C ATOM 709 C GLU A 48 -2.250 -2.044 -12.468 1.00 0.00 C ATOM 710 O GLU A 48 -2.947 -2.047 -13.483 1.00 0.00 O ATOM 711 CB GLU A 48 -3.851 -2.773 -10.690 1.00 0.00 C ATOM 712 CG GLU A 48 -3.933 -2.978 -9.186 1.00 0.00 C ATOM 713 CD GLU A 48 -4.963 -4.020 -8.795 1.00 0.00 C ATOM 714 OE1 GLU A 48 -4.623 -5.221 -8.799 1.00 0.00 O ATOM 715 OE2 GLU A 48 -6.109 -3.633 -8.483 1.00 0.00 O ATOM 0 H GLU A 48 -4.512 -0.421 -11.151 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.042 -1.655 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.838 -2.504 -11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.576 -3.716 -11.162 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.955 -3.280 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.180 -2.031 -8.707 1.00 0.00 H new ATOM 722 N SER A 49 -0.953 -2.336 -12.481 1.00 0.00 N ATOM 723 CA SER A 49 -0.259 -2.680 -13.716 1.00 0.00 C ATOM 724 C SER A 49 0.637 -3.899 -13.513 1.00 0.00 C ATOM 725 O SER A 49 0.829 -4.362 -12.389 1.00 0.00 O ATOM 726 CB SER A 49 0.576 -1.495 -14.204 1.00 0.00 C ATOM 727 OG SER A 49 1.700 -1.284 -13.368 1.00 0.00 O ATOM 0 H SER A 49 -0.362 -2.341 -11.650 1.00 0.00 H new ATOM 0 HA SER A 49 -1.008 -2.922 -14.470 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.908 -1.677 -15.226 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.040 -0.596 -14.224 1.00 0.00 H new ATOM 0 HG SER A 49 1.934 -0.332 -13.368 1.00 0.00 H new ATOM 733 N ASP A 50 1.183 -4.412 -14.610 1.00 0.00 N ATOM 734 CA ASP A 50 2.059 -5.576 -14.555 1.00 0.00 C ATOM 735 C ASP A 50 3.207 -5.347 -13.576 1.00 0.00 C ATOM 736 O ASP A 50 3.752 -6.294 -13.011 1.00 0.00 O ATOM 737 CB ASP A 50 2.614 -5.890 -15.946 1.00 0.00 C ATOM 738 CG ASP A 50 1.529 -5.947 -17.003 1.00 0.00 C ATOM 739 OD1 ASP A 50 0.985 -4.879 -17.352 1.00 0.00 O ATOM 740 OD2 ASP A 50 1.223 -7.060 -17.480 1.00 0.00 O ATOM 0 H ASP A 50 1.034 -4.040 -15.548 1.00 0.00 H new ATOM 0 HA ASP A 50 1.472 -6.425 -14.206 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.346 -5.131 -16.222 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.140 -6.844 -15.917 1.00 0.00 H new ATOM 745 N ARG A 51 3.568 -4.082 -13.381 1.00 0.00 N ATOM 746 CA ARG A 51 4.651 -3.729 -12.473 1.00 0.00 C ATOM 747 C ARG A 51 4.122 -3.491 -11.061 1.00 0.00 C ATOM 748 O ARG A 51 4.880 -3.510 -10.091 1.00 0.00 O ATOM 749 CB ARG A 51 5.378 -2.479 -12.973 1.00 0.00 C ATOM 750 CG ARG A 51 4.455 -1.296 -13.219 1.00 0.00 C ATOM 751 CD ARG A 51 5.232 0.009 -13.295 1.00 0.00 C ATOM 752 NE ARG A 51 4.370 1.141 -13.624 1.00 0.00 N ATOM 753 CZ ARG A 51 3.991 1.441 -14.861 1.00 0.00 C ATOM 754 NH1 ARG A 51 4.397 0.697 -15.881 1.00 0.00 N ATOM 755 NH2 ARG A 51 3.205 2.487 -15.081 1.00 0.00 N ATOM 0 H ARG A 51 3.126 -3.286 -13.840 1.00 0.00 H new ATOM 0 HA ARG A 51 5.353 -4.563 -12.444 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.135 -2.193 -12.243 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.902 -2.719 -13.898 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.906 -1.448 -14.148 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.717 -1.236 -12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.724 0.194 -12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.017 -0.080 -14.046 1.00 0.00 H new ATOM 0 HE ARG A 51 4.041 1.734 -12.862 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.002 -0.108 -15.716 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.104 0.929 -16.830 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.891 3.062 -14.299 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.915 2.716 -16.032 1.00 0.00 H new ATOM 769 N LEU A 52 2.816 -3.267 -10.955 1.00 0.00 N ATOM 770 CA LEU A 52 2.185 -3.025 -9.662 1.00 0.00 C ATOM 771 C LEU A 52 1.101 -4.062 -9.383 1.00 0.00 C ATOM 772 O LEU A 52 -0.036 -3.925 -9.835 1.00 0.00 O ATOM 773 CB LEU A 52 1.583 -1.620 -9.622 1.00 0.00 C ATOM 774 CG LEU A 52 1.364 -1.023 -8.231 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.482 0.492 -8.275 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.008 -1.439 -7.680 1.00 0.00 C ATOM 0 H LEU A 52 2.175 -3.248 -11.748 1.00 0.00 H new ATOM 0 HA LEU A 52 2.950 -3.109 -8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.235 -0.951 -10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.625 -1.642 -10.141 1.00 0.00 H new ATOM 0 HG LEU A 52 2.138 -1.407 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.323 0.898 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.476 0.769 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.732 0.896 -8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.131 -1.005 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.779 -1.084 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.038 -2.526 -7.610 1.00 0.00 H new ATOM 788 N LYS A 53 1.461 -5.099 -8.634 1.00 0.00 N ATOM 789 CA LYS A 53 0.520 -6.159 -8.291 1.00 0.00 C ATOM 790 C LYS A 53 0.153 -6.102 -6.811 1.00 0.00 C ATOM 791 O LYS A 53 1.023 -6.167 -5.943 1.00 0.00 O ATOM 792 CB LYS A 53 1.116 -7.527 -8.627 1.00 0.00 C ATOM 793 CG LYS A 53 0.075 -8.571 -8.993 1.00 0.00 C ATOM 794 CD LYS A 53 0.531 -9.970 -8.612 1.00 0.00 C ATOM 795 CE LYS A 53 -0.108 -11.026 -9.502 1.00 0.00 C ATOM 796 NZ LYS A 53 0.408 -10.961 -10.897 1.00 0.00 N ATOM 0 H LYS A 53 2.398 -5.228 -8.253 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.386 -6.011 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.814 -7.416 -9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.691 -7.883 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.864 -8.343 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.121 -8.530 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.616 -10.034 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.275 -10.167 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.087 -12.016 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.189 -10.890 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.228 -11.866 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.074 -10.195 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.431 -10.776 -10.880 1.00 0.00 H new ATOM 810 N VAL A 54 -1.141 -5.982 -6.531 1.00 0.00 N ATOM 811 CA VAL A 54 -1.623 -5.920 -5.157 1.00 0.00 C ATOM 812 C VAL A 54 -2.044 -7.298 -4.659 1.00 0.00 C ATOM 813 O VAL A 54 -3.131 -7.779 -4.979 1.00 0.00 O ATOM 814 CB VAL A 54 -2.813 -4.951 -5.023 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.345 -4.954 -3.598 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.407 -3.548 -5.447 1.00 0.00 C ATOM 0 H VAL A 54 -1.874 -5.926 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.796 -5.555 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.611 -5.288 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.185 -4.264 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.676 -5.959 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.556 -4.641 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.260 -2.876 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.592 -3.198 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.078 -3.563 -6.486 1.00 0.00 H new ATOM 826 N VAL A 55 -1.177 -7.928 -3.874 1.00 0.00 N ATOM 827 CA VAL A 55 -1.460 -9.251 -3.329 1.00 0.00 C ATOM 828 C VAL A 55 -2.102 -9.152 -1.951 1.00 0.00 C ATOM 829 O VAL A 55 -1.692 -8.341 -1.121 1.00 0.00 O ATOM 830 CB VAL A 55 -0.179 -10.101 -3.227 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.490 -11.465 -2.630 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.475 -10.245 -4.593 1.00 0.00 C ATOM 0 H VAL A 55 -0.272 -7.544 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.155 -9.734 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 55 0.522 -9.592 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.426 -12.052 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.911 -11.338 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.209 -11.984 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.378 -10.848 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.219 -10.731 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.735 -9.259 -4.978 1.00 0.00 H new ATOM 842 N GLN A 56 -3.112 -9.983 -1.713 1.00 0.00 N ATOM 843 CA GLN A 56 -3.812 -9.989 -0.434 1.00 0.00 C ATOM 844 C GLN A 56 -3.823 -11.388 0.174 1.00 0.00 C ATOM 845 O GLN A 56 -4.168 -12.364 -0.492 1.00 0.00 O ATOM 846 CB GLN A 56 -5.246 -9.486 -0.611 1.00 0.00 C ATOM 847 CG GLN A 56 -5.912 -9.078 0.693 1.00 0.00 C ATOM 848 CD GLN A 56 -7.425 -9.077 0.599 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.993 -8.837 -0.467 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.088 -9.346 1.718 1.00 0.00 N ATOM 0 H GLN A 56 -3.464 -10.661 -2.389 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.281 -9.322 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.242 -8.633 -1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.841 -10.267 -1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.601 -9.760 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.569 -8.083 0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.577 -9.539 2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.108 -9.359 1.716 1.00 0.00 H new ATOM 859 N LYS A 57 -3.441 -11.478 1.444 1.00 0.00 N ATOM 860 CA LYS A 57 -3.407 -12.757 2.144 1.00 0.00 C ATOM 861 C LYS A 57 -4.226 -12.695 3.430 1.00 0.00 C ATOM 862 O LYS A 57 -3.825 -12.057 4.402 1.00 0.00 O ATOM 863 CB LYS A 57 -1.963 -13.148 2.465 1.00 0.00 C ATOM 864 CG LYS A 57 -1.258 -13.860 1.323 1.00 0.00 C ATOM 865 CD LYS A 57 -0.562 -12.877 0.397 1.00 0.00 C ATOM 866 CE LYS A 57 0.719 -12.339 1.015 1.00 0.00 C ATOM 867 NZ LYS A 57 1.790 -13.373 1.059 1.00 0.00 N ATOM 0 H LYS A 57 -3.151 -10.680 2.009 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.845 -13.512 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.401 -12.251 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.957 -13.793 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.527 -14.561 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.982 -14.445 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.333 -13.367 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.234 -12.049 0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.067 -11.480 0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.514 -11.985 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.703 -12.918 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.575 -14.064 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.840 -13.860 0.141 1.00 0.00 H new ATOM 881 N GLY A 58 -5.375 -13.363 3.427 1.00 0.00 N ATOM 882 CA GLY A 58 -6.231 -13.372 4.599 1.00 0.00 C ATOM 883 C GLY A 58 -6.472 -11.981 5.151 1.00 0.00 C ATOM 884 O GLY A 58 -6.998 -11.112 4.455 1.00 0.00 O ATOM 0 H GLY A 58 -5.729 -13.898 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.187 -13.829 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.777 -13.993 5.372 1.00 0.00 H new ATOM 888 N ARG A 59 -6.089 -11.770 6.406 1.00 0.00 N ATOM 889 CA ARG A 59 -6.270 -10.475 7.052 1.00 0.00 C ATOM 890 C ARG A 59 -5.004 -9.630 6.939 1.00 0.00 C ATOM 891 O ARG A 59 -4.629 -8.929 7.879 1.00 0.00 O ATOM 892 CB ARG A 59 -6.641 -10.663 8.524 1.00 0.00 C ATOM 893 CG ARG A 59 -5.710 -11.605 9.271 1.00 0.00 C ATOM 894 CD ARG A 59 -5.978 -11.581 10.768 1.00 0.00 C ATOM 895 NE ARG A 59 -4.918 -12.243 11.524 1.00 0.00 N ATOM 896 CZ ARG A 59 -4.873 -13.554 11.733 1.00 0.00 C ATOM 897 NH1 ARG A 59 -5.822 -14.339 11.245 1.00 0.00 N ATOM 898 NH2 ARG A 59 -3.875 -14.081 12.432 1.00 0.00 N ATOM 0 H ARG A 59 -5.652 -12.478 6.995 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.081 -9.953 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.635 -9.692 9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.659 -11.046 8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.837 -12.620 8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.675 -11.322 9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.071 -10.548 11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.930 -12.070 10.974 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.171 -11.667 11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.590 -13.937 10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.785 -15.345 11.407 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.143 -13.479 12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.841 -15.088 12.592 1.00 0.00 H new ATOM 912 N ILE A 60 -4.351 -9.703 5.785 1.00 0.00 N ATOM 913 CA ILE A 60 -3.129 -8.944 5.550 1.00 0.00 C ATOM 914 C ILE A 60 -3.015 -8.525 4.088 1.00 0.00 C ATOM 915 O ILE A 60 -3.179 -9.342 3.181 1.00 0.00 O ATOM 916 CB ILE A 60 -1.879 -9.756 5.938 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.924 -10.124 7.422 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.617 -8.970 5.619 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.841 -11.095 7.837 1.00 0.00 C ATOM 0 H ILE A 60 -4.647 -10.280 4.998 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.184 -8.054 6.178 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.866 -10.677 5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.833 -9.215 8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.897 -10.558 7.651 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.258 -9.557 5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.583 -8.754 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.620 -8.034 6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.934 -11.311 8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.944 -12.020 7.269 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.137 -10.655 7.640 1.00 0.00 H new ATOM 931 N HIS A 61 -2.731 -7.245 3.866 1.00 0.00 N ATOM 932 CA HIS A 61 -2.592 -6.717 2.513 1.00 0.00 C ATOM 933 C HIS A 61 -1.134 -6.393 2.204 1.00 0.00 C ATOM 934 O HIS A 61 -0.439 -5.774 3.011 1.00 0.00 O ATOM 935 CB HIS A 61 -3.452 -5.464 2.342 1.00 0.00 C ATOM 936 CG HIS A 61 -4.923 -5.747 2.316 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.680 -5.694 1.165 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.776 -6.088 3.310 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.935 -5.989 1.452 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.020 -6.232 2.747 1.00 0.00 N ATOM 0 H HIS A 61 -2.593 -6.555 4.605 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.932 -7.481 1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.238 -4.772 3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.170 -4.963 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.525 -6.222 4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.753 -6.025 0.747 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.872 -6.486 3.248 1.00 0.00 H new ATOM 949 N LYS A 62 -0.675 -6.815 1.031 1.00 0.00 N ATOM 950 CA LYS A 62 0.700 -6.570 0.613 1.00 0.00 C ATOM 951 C LYS A 62 0.741 -5.861 -0.737 1.00 0.00 C ATOM 952 O LYS A 62 -0.052 -6.160 -1.631 1.00 0.00 O ATOM 953 CB LYS A 62 1.473 -7.889 0.532 1.00 0.00 C ATOM 954 CG LYS A 62 2.893 -7.731 0.017 1.00 0.00 C ATOM 955 CD LYS A 62 3.428 -9.034 -0.553 1.00 0.00 C ATOM 956 CE LYS A 62 3.709 -10.049 0.545 1.00 0.00 C ATOM 957 NZ LYS A 62 5.101 -9.936 1.061 1.00 0.00 N ATOM 0 H LYS A 62 -1.236 -7.329 0.352 1.00 0.00 H new ATOM 0 HA LYS A 62 1.169 -5.925 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.503 -8.344 1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.934 -8.577 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.918 -6.959 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.540 -7.395 0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.706 -9.448 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.343 -8.839 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.005 -9.902 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.545 -11.055 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.253 -10.644 1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.773 -10.101 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.250 -8.984 1.452 1.00 0.00 H new ATOM 971 N LEU A 63 1.670 -4.923 -0.879 1.00 0.00 N ATOM 972 CA LEU A 63 1.816 -4.172 -2.121 1.00 0.00 C ATOM 973 C LEU A 63 3.287 -3.922 -2.438 1.00 0.00 C ATOM 974 O LEU A 63 3.972 -3.194 -1.719 1.00 0.00 O ATOM 975 CB LEU A 63 1.069 -2.840 -2.026 1.00 0.00 C ATOM 976 CG LEU A 63 0.926 -2.056 -3.331 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.342 -1.217 -3.313 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.146 -1.176 -3.561 1.00 0.00 C ATOM 0 H LEU A 63 2.334 -4.664 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 63 1.386 -4.766 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.072 -3.033 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.583 -2.209 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 63 0.855 -2.767 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.427 -0.666 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.208 -1.869 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.301 -0.514 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.027 -0.625 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.248 -0.472 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.038 -1.799 -3.619 1.00 0.00 H new ATOM 990 N VAL A 64 3.766 -4.529 -3.519 1.00 0.00 N ATOM 991 CA VAL A 64 5.155 -4.370 -3.933 1.00 0.00 C ATOM 992 C VAL A 64 5.248 -3.945 -5.394 1.00 0.00 C ATOM 993 O VAL A 64 4.422 -4.337 -6.218 1.00 0.00 O ATOM 994 CB VAL A 64 5.952 -5.674 -3.738 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.740 -6.224 -2.335 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.556 -6.701 -4.788 1.00 0.00 C ATOM 0 H VAL A 64 3.213 -5.136 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 64 5.586 -3.592 -3.303 1.00 0.00 H new ATOM 0 HB VAL A 64 7.013 -5.454 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.310 -7.145 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.077 -5.491 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.681 -6.431 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.128 -7.616 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.492 -6.920 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.764 -6.304 -5.782 1.00 0.00 H new ATOM 1006 N ILE A 65 6.258 -3.141 -5.707 1.00 0.00 N ATOM 1007 CA ILE A 65 6.460 -2.663 -7.069 1.00 0.00 C ATOM 1008 C ILE A 65 7.740 -3.234 -7.668 1.00 0.00 C ATOM 1009 O ILE A 65 8.757 -3.356 -6.985 1.00 0.00 O ATOM 1010 CB ILE A 65 6.523 -1.125 -7.123 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.517 -0.517 -6.143 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.256 -0.633 -8.538 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.732 0.960 -5.896 1.00 0.00 C ATOM 0 H ILE A 65 6.949 -2.807 -5.036 1.00 0.00 H new ATOM 0 HA ILE A 65 5.605 -3.004 -7.653 1.00 0.00 H new ATOM 0 HB ILE A 65 7.524 -0.807 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.509 -0.670 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.580 -1.049 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.304 0.456 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.007 -1.043 -9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.266 -0.959 -8.856 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.984 1.324 -5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.728 1.118 -5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.640 1.503 -6.836 1.00 0.00 H new ATOM 1025 N ALA A 66 7.684 -3.582 -8.950 1.00 0.00 N ATOM 1026 CA ALA A 66 8.840 -4.137 -9.642 1.00 0.00 C ATOM 1027 C ALA A 66 10.061 -3.239 -9.478 1.00 0.00 C ATOM 1028 O ALA A 66 11.041 -3.619 -8.840 1.00 0.00 O ATOM 1029 CB ALA A 66 8.525 -4.338 -11.117 1.00 0.00 C ATOM 0 H ALA A 66 6.850 -3.489 -9.530 1.00 0.00 H new ATOM 0 HA ALA A 66 9.070 -5.104 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.397 -4.753 -11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.685 -5.025 -11.219 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.267 -3.380 -11.568 1.00 0.00 H new ATOM 1035 N ASN A 67 9.995 -2.046 -10.060 1.00 0.00 N ATOM 1036 CA ASN A 67 11.097 -1.094 -9.978 1.00 0.00 C ATOM 1037 C ASN A 67 10.645 0.207 -9.322 1.00 0.00 C ATOM 1038 O ASN A 67 9.736 0.877 -9.811 1.00 0.00 O ATOM 1039 CB ASN A 67 11.655 -0.807 -11.374 1.00 0.00 C ATOM 1040 CG ASN A 67 12.390 -1.998 -11.958 1.00 0.00 C ATOM 1041 OD1 ASN A 67 13.533 -2.275 -11.595 1.00 0.00 O ATOM 1042 ND2 ASN A 67 11.736 -2.708 -12.870 1.00 0.00 N ATOM 0 H ASN A 67 9.191 -1.716 -10.593 1.00 0.00 H new ATOM 0 HA ASN A 67 11.881 -1.536 -9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.838 -0.526 -12.038 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.332 0.046 -11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.180 -3.519 -13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.789 -2.442 -13.141 1.00 0.00 H new ATOM 1049 N ALA A 68 11.287 0.558 -8.213 1.00 0.00 N ATOM 1050 CA ALA A 68 10.953 1.780 -7.491 1.00 0.00 C ATOM 1051 C ALA A 68 11.423 3.014 -8.253 1.00 0.00 C ATOM 1052 O ALA A 68 12.612 3.168 -8.533 1.00 0.00 O ATOM 1053 CB ALA A 68 11.564 1.753 -6.098 1.00 0.00 C ATOM 0 H ALA A 68 12.041 0.014 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 68 9.868 1.834 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.307 2.671 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.176 0.897 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.648 1.672 -6.178 1.00 0.00 H new ATOM 1059 N LEU A 69 10.482 3.890 -8.589 1.00 0.00 N ATOM 1060 CA LEU A 69 10.800 5.111 -9.320 1.00 0.00 C ATOM 1061 C LEU A 69 10.848 6.312 -8.381 1.00 0.00 C ATOM 1062 O LEU A 69 10.553 6.196 -7.191 1.00 0.00 O ATOM 1063 CB LEU A 69 9.767 5.353 -10.422 1.00 0.00 C ATOM 1064 CG LEU A 69 9.592 4.222 -11.437 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.527 3.243 -10.967 1.00 0.00 C ATOM 1066 CD2 LEU A 69 9.235 4.785 -12.805 1.00 0.00 C ATOM 0 H LEU A 69 9.493 3.777 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 69 11.784 4.987 -9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.802 5.546 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.045 6.258 -10.961 1.00 0.00 H new ATOM 0 HG LEU A 69 10.537 3.686 -11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.416 2.445 -11.702 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.823 2.815 -10.009 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.577 3.766 -10.853 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.114 3.967 -13.515 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.303 5.346 -12.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.032 5.446 -13.146 1.00 0.00 H new ATOM 1078 N THR A 70 11.219 7.468 -8.924 1.00 0.00 N ATOM 1079 CA THR A 70 11.305 8.690 -8.135 1.00 0.00 C ATOM 1080 C THR A 70 9.933 9.333 -7.968 1.00 0.00 C ATOM 1081 O THR A 70 9.802 10.382 -7.337 1.00 0.00 O ATOM 1082 CB THR A 70 12.262 9.709 -8.781 1.00 0.00 C ATOM 1083 OG1 THR A 70 13.367 9.029 -9.386 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.775 10.700 -7.747 1.00 0.00 C ATOM 0 H THR A 70 11.465 7.583 -9.907 1.00 0.00 H new ATOM 0 HA THR A 70 11.693 8.408 -7.156 1.00 0.00 H new ATOM 0 HB THR A 70 11.711 10.257 -9.545 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.970 9.684 -9.796 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.449 11.410 -8.226 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.934 11.237 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.310 10.164 -6.963 1.00 0.00 H new ATOM 1092 N GLU A 71 8.913 8.698 -8.536 1.00 0.00 N ATOM 1093 CA GLU A 71 7.551 9.210 -8.449 1.00 0.00 C ATOM 1094 C GLU A 71 6.734 8.414 -7.435 1.00 0.00 C ATOM 1095 O GLU A 71 5.751 8.912 -6.886 1.00 0.00 O ATOM 1096 CB GLU A 71 6.874 9.158 -9.820 1.00 0.00 C ATOM 1097 CG GLU A 71 6.777 7.756 -10.398 1.00 0.00 C ATOM 1098 CD GLU A 71 5.807 7.669 -11.560 1.00 0.00 C ATOM 1099 OE1 GLU A 71 6.106 8.244 -12.628 1.00 0.00 O ATOM 1100 OE2 GLU A 71 4.748 7.026 -11.402 1.00 0.00 O ATOM 0 H GLU A 71 9.004 7.828 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 71 7.601 10.247 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.872 9.578 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.428 9.790 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.764 7.435 -10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.463 7.065 -9.615 1.00 0.00 H new ATOM 1107 N ASP A 72 7.147 7.175 -7.194 1.00 0.00 N ATOM 1108 CA ASP A 72 6.455 6.309 -6.247 1.00 0.00 C ATOM 1109 C ASP A 72 6.388 6.957 -4.867 1.00 0.00 C ATOM 1110 O ASP A 72 5.347 6.936 -4.212 1.00 0.00 O ATOM 1111 CB ASP A 72 7.159 4.954 -6.154 1.00 0.00 C ATOM 1112 CG ASP A 72 7.024 4.143 -7.427 1.00 0.00 C ATOM 1113 OD1 ASP A 72 6.411 4.648 -8.391 1.00 0.00 O ATOM 1114 OD2 ASP A 72 7.533 3.003 -7.461 1.00 0.00 O ATOM 0 H ASP A 72 7.958 6.748 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 72 5.438 6.157 -6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.216 5.111 -5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.743 4.388 -5.320 1.00 0.00 H new ATOM 1119 N GLU A 73 7.506 7.530 -4.433 1.00 0.00 N ATOM 1120 CA GLU A 73 7.573 8.182 -3.130 1.00 0.00 C ATOM 1121 C GLU A 73 6.430 9.178 -2.961 1.00 0.00 C ATOM 1122 O GLU A 73 5.873 9.673 -3.940 1.00 0.00 O ATOM 1123 CB GLU A 73 8.916 8.895 -2.961 1.00 0.00 C ATOM 1124 CG GLU A 73 8.896 10.346 -3.412 1.00 0.00 C ATOM 1125 CD GLU A 73 8.204 10.531 -4.749 1.00 0.00 C ATOM 1126 OE1 GLU A 73 8.304 9.621 -5.599 1.00 0.00 O ATOM 1127 OE2 GLU A 73 7.564 11.585 -4.946 1.00 0.00 O ATOM 0 H GLU A 73 8.377 7.556 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 73 7.479 7.414 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.210 8.853 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.677 8.358 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.390 10.950 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.919 10.715 -3.482 1.00 0.00 H new ATOM 1134 N GLY A 74 6.086 9.468 -1.710 1.00 0.00 N ATOM 1135 CA GLY A 74 5.011 10.404 -1.434 1.00 0.00 C ATOM 1136 C GLY A 74 4.205 10.017 -0.210 1.00 0.00 C ATOM 1137 O GLY A 74 4.744 9.925 0.893 1.00 0.00 O ATOM 0 H GLY A 74 6.532 9.072 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.429 11.400 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.349 10.458 -2.299 1.00 0.00 H new ATOM 1141 N ASP A 75 2.911 9.790 -0.403 1.00 0.00 N ATOM 1142 CA ASP A 75 2.028 9.411 0.694 1.00 0.00 C ATOM 1143 C ASP A 75 1.072 8.303 0.265 1.00 0.00 C ATOM 1144 O ASP A 75 0.187 8.518 -0.562 1.00 0.00 O ATOM 1145 CB ASP A 75 1.236 10.625 1.182 1.00 0.00 C ATOM 1146 CG ASP A 75 2.027 11.483 2.149 1.00 0.00 C ATOM 1147 OD1 ASP A 75 3.052 12.060 1.728 1.00 0.00 O ATOM 1148 OD2 ASP A 75 1.621 11.579 3.326 1.00 0.00 O ATOM 0 H ASP A 75 2.449 9.862 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 75 2.645 9.037 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.938 11.229 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.320 10.287 1.667 1.00 0.00 H new ATOM 1153 N TYR A 76 1.258 7.116 0.833 1.00 0.00 N ATOM 1154 CA TYR A 76 0.415 5.972 0.506 1.00 0.00 C ATOM 1155 C TYR A 76 -0.671 5.778 1.560 1.00 0.00 C ATOM 1156 O TYR A 76 -0.413 5.878 2.760 1.00 0.00 O ATOM 1157 CB TYR A 76 1.262 4.704 0.390 1.00 0.00 C ATOM 1158 CG TYR A 76 2.003 4.589 -0.922 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.204 5.257 -1.125 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.502 3.813 -1.960 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.885 5.156 -2.323 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.177 3.704 -3.161 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.367 4.378 -3.338 1.00 0.00 C ATOM 1164 OH TYR A 76 4.042 4.273 -4.533 1.00 0.00 O ATOM 0 H TYR A 76 1.985 6.921 1.522 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.065 6.168 -0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.982 4.682 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.617 3.834 0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.613 5.866 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.569 3.286 -1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.817 5.683 -2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.775 3.094 -3.957 1.00 0.00 H new ATOM 0 HH TYR A 76 4.519 5.110 -4.714 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.887 5.498 1.103 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.013 5.287 2.005 1.00 0.00 C ATOM 1176 C VAL A 77 -3.842 4.081 1.576 1.00 0.00 C ATOM 1177 O VAL A 77 -4.091 3.876 0.388 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.924 6.527 2.065 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.087 6.290 3.016 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.126 7.754 2.481 1.00 0.00 C ATOM 0 H VAL A 77 -2.118 5.412 0.113 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.596 5.104 2.995 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.331 6.706 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.720 7.177 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.672 5.438 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.704 6.085 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.785 8.621 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.689 7.587 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.331 7.933 1.757 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.268 3.286 2.552 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.069 2.099 2.276 1.00 0.00 C ATOM 1192 C PHE A 78 -6.543 2.356 2.577 1.00 0.00 C ATOM 1193 O PHE A 78 -6.879 3.157 3.449 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.567 0.915 3.105 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.428 -0.310 2.983 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.556 -0.965 1.769 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.109 -0.806 4.083 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.348 -2.092 1.654 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.903 -1.933 3.974 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.021 -2.577 2.758 1.00 0.00 C ATOM 0 H PHE A 78 -4.072 3.442 3.541 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.968 1.861 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.552 0.668 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.516 1.211 4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.031 -0.591 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.019 -0.307 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.440 -2.593 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.430 -2.309 4.838 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.639 -3.459 2.671 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.418 1.671 1.848 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.855 1.823 2.036 1.00 0.00 C ATOM 1212 C ALA A 79 -9.581 0.502 1.810 1.00 0.00 C ATOM 1213 O ALA A 79 -9.637 -0.021 0.696 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.399 2.894 1.103 1.00 0.00 C ATOM 0 H ALA A 79 -7.156 1.005 1.121 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.031 2.132 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.474 2.997 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.910 3.845 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.204 2.609 0.069 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.152 -0.054 2.889 1.00 0.00 N ATOM 1221 CA PRO A 80 -10.885 -1.322 2.833 1.00 0.00 C ATOM 1222 C PRO A 80 -12.205 -1.195 2.079 1.00 0.00 C ATOM 1223 O PRO A 80 -12.879 -0.168 2.157 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.140 -1.650 4.306 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.119 -0.330 4.997 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.125 0.514 4.248 1.00 0.00 C ATOM 0 HA PRO A 80 -10.327 -2.093 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.098 -2.152 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.373 -2.316 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.107 0.131 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.828 -0.441 6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.409 1.566 4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.131 0.452 4.690 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.568 -2.246 1.351 1.00 0.00 N ATOM 1235 CA ASP A 81 -13.808 -2.253 0.585 1.00 0.00 C ATOM 1236 C ASP A 81 -14.989 -2.647 1.466 1.00 0.00 C ATOM 1237 O ASP A 81 -16.093 -2.879 0.974 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.696 -3.214 -0.599 1.00 0.00 C ATOM 1239 CG ASP A 81 -13.044 -2.571 -1.808 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -13.187 -1.341 -1.975 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -12.391 -3.297 -2.586 1.00 0.00 O ATOM 0 H ASP A 81 -12.021 -3.104 1.276 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.979 -1.244 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.118 -4.088 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.690 -3.568 -0.871 1.00 0.00 H new ATOM 1246 N ALA A 82 -14.749 -2.721 2.771 1.00 0.00 N ATOM 1247 CA ALA A 82 -15.792 -3.087 3.720 1.00 0.00 C ATOM 1248 C ALA A 82 -16.081 -1.942 4.686 1.00 0.00 C ATOM 1249 O ALA A 82 -17.157 -1.875 5.280 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.394 -4.339 4.487 1.00 0.00 C ATOM 0 H ALA A 82 -13.841 -2.532 3.195 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.703 -3.294 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.183 -4.600 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.245 -5.162 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.468 -4.153 5.031 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.113 -1.045 4.839 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.263 0.095 5.735 1.00 0.00 C ATOM 1258 C TYR A 83 -14.616 1.343 5.142 1.00 0.00 C ATOM 1259 O TYR A 83 -14.123 1.324 4.015 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.641 -0.216 7.098 1.00 0.00 C ATOM 1261 CG TYR A 83 -15.004 -1.584 7.630 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.284 -2.711 7.252 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -16.066 -1.751 8.510 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.611 -3.963 7.736 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.400 -2.999 8.999 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.670 -4.102 8.609 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.000 -5.347 9.093 1.00 0.00 O ATOM 0 H TYR A 83 -14.216 -1.086 4.354 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.328 0.286 5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.556 -0.142 7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.960 0.540 7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.455 -2.606 6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.641 -0.890 8.817 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.041 -4.828 7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -17.228 -3.110 9.683 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.768 -5.270 9.696 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.621 2.427 5.912 1.00 0.00 N ATOM 1278 CA ASN A 84 -14.034 3.685 5.464 1.00 0.00 C ATOM 1279 C ASN A 84 -12.805 4.038 6.295 1.00 0.00 C ATOM 1280 O ASN A 84 -12.727 5.119 6.880 1.00 0.00 O ATOM 1281 CB ASN A 84 -15.065 4.812 5.552 1.00 0.00 C ATOM 1282 CG ASN A 84 -16.410 4.412 4.976 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -16.502 3.981 3.826 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -17.461 4.554 5.775 1.00 0.00 N ATOM 0 H ASN A 84 -15.025 2.459 6.848 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.725 3.564 4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.192 5.104 6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.690 5.686 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.392 4.302 5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.337 4.915 6.721 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.845 3.120 6.342 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.618 3.335 7.100 1.00 0.00 C ATOM 1293 C VAL A 85 -9.497 3.839 6.198 1.00 0.00 C ATOM 1294 O VAL A 85 -9.492 3.586 4.993 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.158 2.043 7.801 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.703 2.158 8.231 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.052 1.736 8.992 1.00 0.00 C ATOM 0 H VAL A 85 -11.893 2.220 5.864 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.839 4.089 7.855 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.239 1.218 7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.395 1.236 8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.077 2.327 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.593 2.994 8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.712 0.820 9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.006 2.560 9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.080 1.607 8.652 1.00 0.00 H new ATOM 1307 N THR A 86 -8.544 4.553 6.790 1.00 0.00 N ATOM 1308 CA THR A 86 -7.417 5.093 6.041 1.00 0.00 C ATOM 1309 C THR A 86 -6.115 4.935 6.817 1.00 0.00 C ATOM 1310 O THR A 86 -5.962 5.478 7.912 1.00 0.00 O ATOM 1311 CB THR A 86 -7.625 6.583 5.709 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.731 7.344 6.918 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.878 6.780 4.869 1.00 0.00 C ATOM 0 H THR A 86 -8.531 4.770 7.786 1.00 0.00 H new ATOM 0 HA THR A 86 -7.355 4.526 5.112 1.00 0.00 H new ATOM 0 HB THR A 86 -6.764 6.929 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.108 6.987 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.004 7.840 4.647 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.783 6.223 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.746 6.419 5.420 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.177 4.188 6.244 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.886 3.958 6.882 1.00 0.00 C ATOM 1323 C LEU A 87 -2.803 4.827 6.250 1.00 0.00 C ATOM 1324 O LEU A 87 -2.311 4.550 5.156 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.498 2.483 6.776 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.131 1.546 7.806 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.648 1.593 7.708 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.627 0.124 7.615 1.00 0.00 C ATOM 0 H LEU A 87 -5.287 3.731 5.339 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.976 4.229 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.764 2.129 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.414 2.406 6.862 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.840 1.882 8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.081 0.920 8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.993 2.610 7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.958 1.283 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.088 -0.528 8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.887 -0.223 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.544 0.102 7.736 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.422 5.903 6.954 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.391 6.833 6.482 1.00 0.00 C ATOM 1342 C PRO A 88 0.001 6.211 6.492 1.00 0.00 C ATOM 1343 O PRO A 88 0.444 5.676 7.508 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.469 7.987 7.484 1.00 0.00 C ATOM 1345 CG PRO A 88 -2.026 7.376 8.723 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.966 6.295 8.265 1.00 0.00 C ATOM 0 HA PRO A 88 -1.558 7.136 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.486 8.422 7.664 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.109 8.789 7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.232 6.965 9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.550 8.120 9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.983 5.456 8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.989 6.661 8.182 1.00 0.00 H new ATOM 1354 N ALA A 89 0.685 6.284 5.356 1.00 0.00 N ATOM 1355 CA ALA A 89 2.028 5.730 5.236 1.00 0.00 C ATOM 1356 C ALA A 89 2.958 6.696 4.509 1.00 0.00 C ATOM 1357 O ALA A 89 2.542 7.403 3.591 1.00 0.00 O ATOM 1358 CB ALA A 89 1.984 4.392 4.512 1.00 0.00 C ATOM 0 H ALA A 89 0.332 6.721 4.505 1.00 0.00 H new ATOM 0 HA ALA A 89 2.421 5.575 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.994 3.990 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.361 3.695 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.566 4.531 3.515 1.00 0.00 H new ATOM 1364 N LYS A 90 4.219 6.722 4.926 1.00 0.00 N ATOM 1365 CA LYS A 90 5.210 7.601 4.316 1.00 0.00 C ATOM 1366 C LYS A 90 6.307 6.792 3.631 1.00 0.00 C ATOM 1367 O LYS A 90 6.682 5.716 4.099 1.00 0.00 O ATOM 1368 CB LYS A 90 5.824 8.522 5.371 1.00 0.00 C ATOM 1369 CG LYS A 90 6.783 9.550 4.797 1.00 0.00 C ATOM 1370 CD LYS A 90 6.046 10.779 4.291 1.00 0.00 C ATOM 1371 CE LYS A 90 6.901 11.583 3.324 1.00 0.00 C ATOM 1372 NZ LYS A 90 7.715 12.613 4.027 1.00 0.00 N ATOM 0 H LYS A 90 4.580 6.144 5.685 1.00 0.00 H new ATOM 0 HA LYS A 90 4.706 8.207 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.023 9.040 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.352 7.916 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.502 9.845 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.351 9.103 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.124 10.474 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.761 11.407 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.561 10.910 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.259 12.068 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.283 13.139 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.085 13.271 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.346 12.149 4.711 1.00 0.00 H new ATOM 1386 N VAL A 91 6.818 7.316 2.522 1.00 0.00 N ATOM 1387 CA VAL A 91 7.874 6.643 1.775 1.00 0.00 C ATOM 1388 C VAL A 91 8.825 7.651 1.139 1.00 0.00 C ATOM 1389 O VAL A 91 8.445 8.789 0.859 1.00 0.00 O ATOM 1390 CB VAL A 91 7.293 5.737 0.673 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.107 4.319 1.191 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.978 6.303 0.158 1.00 0.00 C ATOM 0 H VAL A 91 6.518 8.204 2.121 1.00 0.00 H new ATOM 0 HA VAL A 91 8.423 6.028 2.488 1.00 0.00 H new ATOM 0 HB VAL A 91 7.998 5.705 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.696 3.693 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.070 3.918 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.422 4.328 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.581 5.651 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.263 6.366 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.147 7.298 -0.254 1.00 0.00 H new ATOM 1402 N HIS A 92 10.064 7.227 0.913 1.00 0.00 N ATOM 1403 CA HIS A 92 11.071 8.092 0.308 1.00 0.00 C ATOM 1404 C HIS A 92 11.885 7.333 -0.735 1.00 0.00 C ATOM 1405 O HIS A 92 12.011 6.110 -0.669 1.00 0.00 O ATOM 1406 CB HIS A 92 11.999 8.658 1.383 1.00 0.00 C ATOM 1407 CG HIS A 92 13.077 9.543 0.838 1.00 0.00 C ATOM 1408 ND1 HIS A 92 12.866 10.861 0.491 1.00 0.00 N ATOM 1409 CD2 HIS A 92 14.383 9.293 0.583 1.00 0.00 C ATOM 1410 CE1 HIS A 92 13.994 11.382 0.044 1.00 0.00 C ATOM 1411 NE2 HIS A 92 14.930 10.452 0.089 1.00 0.00 N ATOM 0 H HIS A 92 10.395 6.289 1.140 1.00 0.00 H new ATOM 0 HA HIS A 92 10.556 8.915 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.406 9.223 2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.458 7.832 1.926 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.898 8.357 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 92 14.128 12.397 -0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.902 10.574 -0.197 1.00 0.00 H new ATOM 1420 N VAL A 93 12.434 8.066 -1.698 1.00 0.00 N ATOM 1421 CA VAL A 93 13.236 7.462 -2.755 1.00 0.00 C ATOM 1422 C VAL A 93 14.590 8.150 -2.879 1.00 0.00 C ATOM 1423 O VAL A 93 14.668 9.375 -2.979 1.00 0.00 O ATOM 1424 CB VAL A 93 12.513 7.525 -4.114 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.102 8.955 -4.433 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.398 6.958 -5.214 1.00 0.00 C ATOM 0 H VAL A 93 12.338 9.079 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 93 13.387 6.418 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 93 11.610 6.917 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.593 8.981 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.430 9.322 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.989 9.588 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.872 7.010 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.319 7.538 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.638 5.919 -4.988 1.00 0.00 H new ATOM 1436 N ILE A 94 15.655 7.355 -2.873 1.00 0.00 N ATOM 1437 CA ILE A 94 17.007 7.889 -2.986 1.00 0.00 C ATOM 1438 C ILE A 94 17.522 7.780 -4.417 1.00 0.00 C ATOM 1439 O ILE A 94 17.447 6.718 -5.036 1.00 0.00 O ATOM 1440 CB ILE A 94 17.981 7.157 -2.044 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.390 7.063 -0.636 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.324 7.871 -2.014 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.107 6.074 0.255 1.00 0.00 C ATOM 0 H ILE A 94 15.608 6.339 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 94 16.958 8.939 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 94 18.137 6.146 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.422 8.048 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.340 6.779 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.002 7.342 -1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.748 7.891 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.185 8.892 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.634 6.060 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.053 5.080 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.151 6.369 0.359 1.00 0.00 H new