USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 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 Single : A 9 LYS NZ :NH3+ 147:sc= -0.281 (180deg=-1.61!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.28) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0617 X(o=-0.062,f=-0.21) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 14:sc= 0.843 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -10:sc= -1.44! USER MOD Single : A 32 SER OG : rot 150:sc= 0.668 USER MOD Single : A 34 ASN : amide:sc= -0.477 K(o=-0.48,f=-3.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 13:sc= 0.703 USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= 0.0113 (180deg=-0.378) USER MOD Single : A 42 ASN :FLIP amide:sc= -1.18 F(o=-3.3,f=-1.2) USER MOD Single : A 47 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.02) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= 0.118 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.944 K(o=-0.94,f=-5.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -6.91! C(o=-7.6!,f=-6.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc=-0.00275 X(o=-0.0027,f=-0.054) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 76 TYR OH : rot 130:sc= -0.0901 USER MOD Single : A 83 TYR OH : rot 8:sc= 1.16 USER MOD Single : A 84 ASN : amide:sc= -0.0842 K(o=-0.084,f=-2.2!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0329) USER MOD Single : A 92 HIS : no HD1:sc= -0.297 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.621 -2.543 12.850 1.00 0.00 N ATOM 67 CA LEU A 8 -12.262 -2.868 12.433 1.00 0.00 C ATOM 68 C LEU A 8 -11.240 -2.275 13.398 1.00 0.00 C ATOM 69 O LEU A 8 -11.314 -1.098 13.752 1.00 0.00 O ATOM 70 CB LEU A 8 -12.004 -2.349 11.017 1.00 0.00 C ATOM 71 CG LEU A 8 -10.772 -2.914 10.309 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.999 -4.366 9.918 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.429 -2.077 9.085 1.00 0.00 C ATOM 0 HA LEU A 8 -12.155 -3.953 12.441 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.881 -2.566 10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.907 -1.264 11.061 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.930 -2.873 11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.111 -4.751 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.194 -4.957 10.813 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.854 -4.432 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.550 -2.494 8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.270 -2.085 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.221 -1.052 9.392 1.00 0.00 H new ATOM 85 N LYS A 9 -10.285 -3.097 13.818 1.00 0.00 N ATOM 86 CA LYS A 9 -9.244 -2.655 14.739 1.00 0.00 C ATOM 87 C LYS A 9 -7.859 -2.877 14.142 1.00 0.00 C ATOM 88 O LYS A 9 -7.260 -3.938 14.318 1.00 0.00 O ATOM 89 CB LYS A 9 -9.363 -3.400 16.071 1.00 0.00 C ATOM 90 CG LYS A 9 -8.274 -3.041 17.068 1.00 0.00 C ATOM 91 CD LYS A 9 -8.476 -3.754 18.394 1.00 0.00 C ATOM 92 CE LYS A 9 -9.369 -2.951 19.328 1.00 0.00 C ATOM 93 NZ LYS A 9 -10.812 -3.143 19.017 1.00 0.00 N ATOM 0 H LYS A 9 -10.210 -4.074 13.535 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.378 -1.587 14.914 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.335 -3.183 16.514 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.331 -4.473 15.882 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.300 -3.306 16.656 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.269 -1.963 17.230 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.920 -4.734 18.218 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.509 -3.923 18.869 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.177 -3.249 20.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.118 -1.893 19.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.366 -3.091 19.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.128 -2.399 18.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.951 -4.074 18.575 1.00 0.00 H new ATOM 107 N ILE A 10 -7.354 -1.869 13.438 1.00 0.00 N ATOM 108 CA ILE A 10 -6.038 -1.954 12.818 1.00 0.00 C ATOM 109 C ILE A 10 -5.013 -2.542 13.782 1.00 0.00 C ATOM 110 O ILE A 10 -4.799 -2.016 14.875 1.00 0.00 O ATOM 111 CB ILE A 10 -5.548 -0.572 12.346 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.474 -0.022 11.260 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.118 -0.664 11.834 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.632 0.784 11.805 1.00 0.00 C ATOM 0 H ILE A 10 -7.837 -0.984 13.283 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.138 -2.610 11.953 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.567 0.113 13.194 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.894 0.604 10.582 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.865 -0.853 10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.786 0.320 11.504 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.467 -1.017 12.634 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.075 -1.361 10.997 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.246 1.142 10.979 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.236 0.156 12.461 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.250 1.635 12.369 1.00 0.00 H new ATOM 126 N LEU A 11 -4.381 -3.636 13.370 1.00 0.00 N ATOM 127 CA LEU A 11 -3.376 -4.296 14.196 1.00 0.00 C ATOM 128 C LEU A 11 -1.973 -3.831 13.821 1.00 0.00 C ATOM 129 O LEU A 11 -1.258 -3.254 14.641 1.00 0.00 O ATOM 130 CB LEU A 11 -3.480 -5.814 14.044 1.00 0.00 C ATOM 131 CG LEU A 11 -4.833 -6.433 14.399 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.898 -7.879 13.930 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.083 -6.345 15.897 1.00 0.00 C ATOM 0 H LEU A 11 -4.547 -4.084 12.469 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.562 -4.028 15.236 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.244 -6.073 13.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.716 -6.275 14.671 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.614 -5.871 13.887 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.868 -8.303 14.191 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.765 -7.917 12.849 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.108 -8.454 14.414 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.050 -6.790 16.131 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.298 -6.882 16.429 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.081 -5.300 16.205 1.00 0.00 H new ATOM 145 N THR A 12 -1.584 -4.084 12.575 1.00 0.00 N ATOM 146 CA THR A 12 -0.266 -3.691 12.091 1.00 0.00 C ATOM 147 C THR A 12 -0.377 -2.766 10.885 1.00 0.00 C ATOM 148 O THR A 12 -0.356 -3.202 9.734 1.00 0.00 O ATOM 149 CB THR A 12 0.580 -4.919 11.706 1.00 0.00 C ATOM 150 OG1 THR A 12 0.509 -5.907 12.740 1.00 0.00 O ATOM 151 CG2 THR A 12 2.031 -4.525 11.473 1.00 0.00 C ATOM 0 H THR A 12 -2.163 -4.559 11.883 1.00 0.00 H new ATOM 0 HA THR A 12 0.226 -3.162 12.907 1.00 0.00 H new ATOM 0 HB THR A 12 0.179 -5.333 10.781 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.048 -6.685 12.487 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.609 -5.409 11.202 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.085 -3.795 10.665 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.440 -4.089 12.384 1.00 0.00 H new ATOM 159 N PRO A 13 -0.499 -1.457 11.151 1.00 0.00 N ATOM 160 CA PRO A 13 -0.614 -0.443 10.099 1.00 0.00 C ATOM 161 C PRO A 13 0.685 -0.264 9.321 1.00 0.00 C ATOM 162 O PRO A 13 1.776 -0.377 9.880 1.00 0.00 O ATOM 163 CB PRO A 13 -0.954 0.834 10.873 1.00 0.00 C ATOM 164 CG PRO A 13 -0.400 0.608 12.237 1.00 0.00 C ATOM 165 CD PRO A 13 -0.532 -0.866 12.500 1.00 0.00 C ATOM 0 HA PRO A 13 -1.358 -0.715 9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.508 1.711 10.405 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.030 1.003 10.906 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.642 0.922 12.291 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.947 1.187 12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.282 -1.238 13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.462 -1.100 13.019 1.00 0.00 H new ATOM 173 N LEU A 14 0.560 0.016 8.028 1.00 0.00 N ATOM 174 CA LEU A 14 1.726 0.212 7.172 1.00 0.00 C ATOM 175 C LEU A 14 2.804 1.012 7.895 1.00 0.00 C ATOM 176 O LEU A 14 2.509 1.974 8.605 1.00 0.00 O ATOM 177 CB LEU A 14 1.321 0.928 5.883 1.00 0.00 C ATOM 178 CG LEU A 14 0.208 0.267 5.069 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.511 1.298 4.213 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.773 -0.848 4.201 1.00 0.00 C ATOM 0 H LEU A 14 -0.336 0.112 7.550 1.00 0.00 H new ATOM 0 HA LEU A 14 2.133 -0.768 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.006 1.940 6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.203 1.018 5.249 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.513 -0.168 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.300 0.810 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.949 2.062 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.199 1.762 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.033 -1.307 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.515 -0.436 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.242 -1.600 4.835 1.00 0.00 H new ATOM 192 N THR A 15 4.058 0.610 7.709 1.00 0.00 N ATOM 193 CA THR A 15 5.181 1.289 8.342 1.00 0.00 C ATOM 194 C THR A 15 6.093 1.930 7.302 1.00 0.00 C ATOM 195 O THR A 15 6.491 1.286 6.331 1.00 0.00 O ATOM 196 CB THR A 15 6.009 0.320 9.206 1.00 0.00 C ATOM 197 OG1 THR A 15 6.366 -0.836 8.441 1.00 0.00 O ATOM 198 CG2 THR A 15 5.229 -0.104 10.442 1.00 0.00 C ATOM 0 H THR A 15 4.321 -0.183 7.124 1.00 0.00 H new ATOM 0 HA THR A 15 4.761 2.066 8.981 1.00 0.00 H new ATOM 0 HB THR A 15 6.914 0.836 9.526 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.894 -1.446 8.997 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.834 -0.788 11.037 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.985 0.776 11.037 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.309 -0.603 10.138 1.00 0.00 H new ATOM 206 N ASP A 16 6.419 3.201 7.511 1.00 0.00 N ATOM 207 CA ASP A 16 7.287 3.928 6.591 1.00 0.00 C ATOM 208 C ASP A 16 8.348 3.006 6.001 1.00 0.00 C ATOM 209 O ASP A 16 8.871 2.128 6.686 1.00 0.00 O ATOM 210 CB ASP A 16 7.955 5.103 7.308 1.00 0.00 C ATOM 211 CG ASP A 16 6.975 5.906 8.141 1.00 0.00 C ATOM 212 OD1 ASP A 16 5.794 5.999 7.743 1.00 0.00 O ATOM 213 OD2 ASP A 16 7.388 6.442 9.190 1.00 0.00 O ATOM 0 H ASP A 16 6.096 3.749 8.308 1.00 0.00 H new ATOM 0 HA ASP A 16 6.672 4.311 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.751 4.727 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.422 5.757 6.571 1.00 0.00 H new ATOM 218 N GLN A 17 8.661 3.212 4.725 1.00 0.00 N ATOM 219 CA GLN A 17 9.659 2.397 4.043 1.00 0.00 C ATOM 220 C GLN A 17 10.608 3.269 3.227 1.00 0.00 C ATOM 221 O GLN A 17 10.176 4.064 2.391 1.00 0.00 O ATOM 222 CB GLN A 17 8.977 1.375 3.132 1.00 0.00 C ATOM 223 CG GLN A 17 8.403 0.182 3.879 1.00 0.00 C ATOM 224 CD GLN A 17 9.458 -0.588 4.648 1.00 0.00 C ATOM 225 OE1 GLN A 17 10.329 -1.229 4.058 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.386 -0.529 5.973 1.00 0.00 N ATOM 0 H GLN A 17 8.238 3.936 4.144 1.00 0.00 H new ATOM 0 HA GLN A 17 10.239 1.869 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.176 1.869 2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.697 1.020 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.634 0.527 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.916 -0.487 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.647 0.014 6.420 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.069 -1.027 6.544 1.00 0.00 H new ATOM 235 N THR A 18 11.905 3.116 3.476 1.00 0.00 N ATOM 236 CA THR A 18 12.916 3.890 2.766 1.00 0.00 C ATOM 237 C THR A 18 13.865 2.980 1.996 1.00 0.00 C ATOM 238 O THR A 18 14.636 2.226 2.589 1.00 0.00 O ATOM 239 CB THR A 18 13.734 4.766 3.733 1.00 0.00 C ATOM 240 OG1 THR A 18 12.957 5.894 4.150 1.00 0.00 O ATOM 241 CG2 THR A 18 15.019 5.245 3.074 1.00 0.00 C ATOM 0 H THR A 18 12.280 2.463 4.164 1.00 0.00 H new ATOM 0 HA THR A 18 12.386 4.534 2.064 1.00 0.00 H new ATOM 0 HB THR A 18 13.993 4.163 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.484 6.445 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.580 5.862 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.622 4.384 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.777 5.832 2.188 1.00 0.00 H new ATOM 249 N VAL A 19 13.804 3.055 0.670 1.00 0.00 N ATOM 250 CA VAL A 19 14.661 2.239 -0.182 1.00 0.00 C ATOM 251 C VAL A 19 15.305 3.078 -1.279 1.00 0.00 C ATOM 252 O VAL A 19 15.100 4.289 -1.350 1.00 0.00 O ATOM 253 CB VAL A 19 13.872 1.085 -0.830 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.210 0.225 0.236 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.839 1.629 -1.806 1.00 0.00 C ATOM 0 H VAL A 19 13.170 3.672 0.163 1.00 0.00 H new ATOM 0 HA VAL A 19 15.440 1.824 0.458 1.00 0.00 H new ATOM 0 HB VAL A 19 14.569 0.458 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.658 -0.585 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.974 -0.194 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.524 0.836 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.291 0.801 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.144 2.279 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.342 2.197 -2.588 1.00 0.00 H new ATOM 265 N ASN A 20 16.086 2.426 -2.134 1.00 0.00 N ATOM 266 CA ASN A 20 16.762 3.112 -3.229 1.00 0.00 C ATOM 267 C ASN A 20 15.957 3.001 -4.520 1.00 0.00 C ATOM 268 O ASN A 20 14.972 2.265 -4.589 1.00 0.00 O ATOM 269 CB ASN A 20 18.163 2.532 -3.436 1.00 0.00 C ATOM 270 CG ASN A 20 19.112 2.899 -2.312 1.00 0.00 C ATOM 271 OD1 ASN A 20 19.986 3.750 -2.476 1.00 0.00 O ATOM 272 ND2 ASN A 20 18.945 2.255 -1.163 1.00 0.00 N ATOM 0 H ASN A 20 16.266 1.423 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 20 16.849 4.166 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.096 1.447 -3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.567 2.894 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.555 2.458 -0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.207 1.557 -1.072 1.00 0.00 H new ATOM 279 N LEU A 21 16.384 3.735 -5.542 1.00 0.00 N ATOM 280 CA LEU A 21 15.704 3.719 -6.832 1.00 0.00 C ATOM 281 C LEU A 21 15.948 2.401 -7.560 1.00 0.00 C ATOM 282 O LEU A 21 17.056 1.866 -7.542 1.00 0.00 O ATOM 283 CB LEU A 21 16.180 4.888 -7.697 1.00 0.00 C ATOM 284 CG LEU A 21 15.286 5.255 -8.882 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.193 6.219 -8.447 1.00 0.00 C ATOM 286 CD2 LEU A 21 16.113 5.856 -10.008 1.00 0.00 C ATOM 0 H LEU A 21 17.198 4.348 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 21 14.634 3.821 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.283 5.766 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.174 4.651 -8.077 1.00 0.00 H new ATOM 0 HG LEU A 21 14.813 4.345 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.567 6.469 -9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.582 5.752 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.646 7.128 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.460 6.111 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.614 6.756 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.858 5.132 -10.338 1.00 0.00 H new ATOM 298 N GLY A 22 14.906 1.884 -8.203 1.00 0.00 N ATOM 299 CA GLY A 22 15.029 0.634 -8.931 1.00 0.00 C ATOM 300 C GLY A 22 14.792 -0.576 -8.048 1.00 0.00 C ATOM 301 O GLY A 22 14.335 -1.618 -8.519 1.00 0.00 O ATOM 0 H GLY A 22 13.979 2.308 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.315 0.625 -9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.024 0.570 -9.371 1.00 0.00 H new ATOM 305 N LYS A 23 15.104 -0.440 -6.764 1.00 0.00 N ATOM 306 CA LYS A 23 14.923 -1.530 -5.813 1.00 0.00 C ATOM 307 C LYS A 23 13.480 -2.024 -5.819 1.00 0.00 C ATOM 308 O LYS A 23 12.609 -1.415 -6.439 1.00 0.00 O ATOM 309 CB LYS A 23 15.311 -1.074 -4.404 1.00 0.00 C ATOM 310 CG LYS A 23 16.785 -1.258 -4.089 1.00 0.00 C ATOM 311 CD LYS A 23 17.084 -2.675 -3.628 1.00 0.00 C ATOM 312 CE LYS A 23 18.358 -2.734 -2.799 1.00 0.00 C ATOM 313 NZ LYS A 23 19.578 -2.654 -3.649 1.00 0.00 N ATOM 0 H LYS A 23 15.484 0.415 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 23 15.571 -2.353 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.052 -0.022 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.720 -1.630 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.378 -1.030 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.083 -0.552 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.248 -3.051 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.182 -3.328 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.362 -1.914 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.375 -3.661 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.424 -2.698 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.588 -3.450 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.575 -1.758 -4.177 1.00 0.00 H new ATOM 327 N GLU A 24 13.235 -3.131 -5.125 1.00 0.00 N ATOM 328 CA GLU A 24 11.896 -3.705 -5.051 1.00 0.00 C ATOM 329 C GLU A 24 11.205 -3.309 -3.750 1.00 0.00 C ATOM 330 O GLU A 24 11.394 -3.949 -2.715 1.00 0.00 O ATOM 331 CB GLU A 24 11.964 -5.229 -5.162 1.00 0.00 C ATOM 332 CG GLU A 24 10.604 -5.891 -5.300 1.00 0.00 C ATOM 333 CD GLU A 24 10.695 -7.306 -5.839 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.271 -8.168 -5.144 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.190 -7.550 -6.954 1.00 0.00 O ATOM 0 H GLU A 24 13.945 -3.648 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 24 11.314 -3.313 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.577 -5.495 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.464 -5.627 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.112 -5.908 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.979 -5.293 -5.963 1.00 0.00 H new ATOM 342 N ILE A 25 10.405 -2.250 -3.810 1.00 0.00 N ATOM 343 CA ILE A 25 9.685 -1.769 -2.637 1.00 0.00 C ATOM 344 C ILE A 25 8.784 -2.856 -2.061 1.00 0.00 C ATOM 345 O ILE A 25 8.376 -3.778 -2.769 1.00 0.00 O ATOM 346 CB ILE A 25 8.831 -0.531 -2.969 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.726 0.634 -3.397 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.978 -0.140 -1.771 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.009 1.671 -4.232 1.00 0.00 C ATOM 0 H ILE A 25 10.239 -1.709 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 25 10.436 -1.494 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 25 8.167 -0.777 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.134 1.114 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.571 0.243 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.380 0.736 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.318 -0.967 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.624 0.091 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.704 2.467 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.624 1.205 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.181 2.089 -3.660 1.00 0.00 H new ATOM 361 N CYS A 26 8.475 -2.740 -0.774 1.00 0.00 N ATOM 362 CA CYS A 26 7.620 -3.713 -0.103 1.00 0.00 C ATOM 363 C CYS A 26 6.812 -3.050 1.008 1.00 0.00 C ATOM 364 O CYS A 26 7.363 -2.351 1.860 1.00 0.00 O ATOM 365 CB CYS A 26 8.462 -4.852 0.472 1.00 0.00 C ATOM 366 SG CYS A 26 9.279 -4.450 2.034 1.00 0.00 S ATOM 0 H CYS A 26 8.803 -1.983 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 26 6.927 -4.120 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.823 -5.722 0.622 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.219 -5.135 -0.259 1.00 0.00 H new ATOM 0 HG CYS A 26 8.759 -3.366 2.529 1.00 0.00 H new ATOM 372 N LEU A 27 5.503 -3.273 0.993 1.00 0.00 N ATOM 373 CA LEU A 27 4.617 -2.696 1.999 1.00 0.00 C ATOM 374 C LEU A 27 3.525 -3.685 2.394 1.00 0.00 C ATOM 375 O LEU A 27 2.649 -4.012 1.594 1.00 0.00 O ATOM 376 CB LEU A 27 3.986 -1.406 1.472 1.00 0.00 C ATOM 377 CG LEU A 27 4.906 -0.187 1.408 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.363 0.841 0.427 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.074 0.429 2.789 1.00 0.00 C ATOM 0 H LEU A 27 5.031 -3.849 0.296 1.00 0.00 H new ATOM 0 HA LEU A 27 5.212 -2.467 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.599 -1.597 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.132 -1.159 2.102 1.00 0.00 H new ATOM 0 HG LEU A 27 5.885 -0.514 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.031 1.702 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.296 0.396 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.372 1.163 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.732 1.295 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.101 0.740 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.509 -0.307 3.465 1.00 0.00 H new ATOM 391 N LYS A 28 3.582 -4.157 3.635 1.00 0.00 N ATOM 392 CA LYS A 28 2.597 -5.106 4.139 1.00 0.00 C ATOM 393 C LYS A 28 1.806 -4.506 5.298 1.00 0.00 C ATOM 394 O LYS A 28 2.243 -3.540 5.925 1.00 0.00 O ATOM 395 CB LYS A 28 3.285 -6.396 4.592 1.00 0.00 C ATOM 396 CG LYS A 28 2.406 -7.628 4.476 1.00 0.00 C ATOM 397 CD LYS A 28 3.043 -8.834 5.146 1.00 0.00 C ATOM 398 CE LYS A 28 3.092 -8.669 6.657 1.00 0.00 C ATOM 399 NZ LYS A 28 3.525 -9.921 7.338 1.00 0.00 N ATOM 0 H LYS A 28 4.301 -3.897 4.310 1.00 0.00 H new ATOM 0 HA LYS A 28 1.904 -5.336 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.186 -6.546 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.603 -6.283 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.436 -7.428 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.225 -7.849 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.478 -9.732 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.053 -8.975 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.778 -7.861 6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.107 -8.379 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.546 -9.768 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.857 -10.686 7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.475 -10.185 7.008 1.00 0.00 H new ATOM 413 N CYS A 29 0.643 -5.084 5.576 1.00 0.00 N ATOM 414 CA CYS A 29 -0.208 -4.606 6.660 1.00 0.00 C ATOM 415 C CYS A 29 -1.001 -5.754 7.276 1.00 0.00 C ATOM 416 O CYS A 29 -1.122 -6.825 6.682 1.00 0.00 O ATOM 417 CB CYS A 29 -1.163 -3.527 6.149 1.00 0.00 C ATOM 418 SG CYS A 29 -1.671 -2.333 7.408 1.00 0.00 S ATOM 0 H CYS A 29 0.268 -5.884 5.066 1.00 0.00 H new ATOM 0 HA CYS A 29 0.434 -4.178 7.430 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.684 -2.992 5.329 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.052 -4.008 5.740 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.296 -2.752 8.580 1.00 0.00 H new ATOM 424 N GLU A 30 -1.537 -5.523 8.470 1.00 0.00 N ATOM 425 CA GLU A 30 -2.316 -6.540 9.167 1.00 0.00 C ATOM 426 C GLU A 30 -3.591 -5.941 9.753 1.00 0.00 C ATOM 427 O GLU A 30 -3.539 -5.019 10.567 1.00 0.00 O ATOM 428 CB GLU A 30 -1.482 -7.180 10.279 1.00 0.00 C ATOM 429 CG GLU A 30 -2.050 -8.495 10.786 1.00 0.00 C ATOM 430 CD GLU A 30 -1.035 -9.307 11.567 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.748 -8.942 12.726 1.00 0.00 O ATOM 432 OE2 GLU A 30 -0.529 -10.308 11.018 1.00 0.00 O ATOM 0 H GLU A 30 -1.446 -4.641 8.975 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.594 -7.307 8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.470 -7.349 9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.406 -6.482 11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.913 -8.293 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.406 -9.083 9.940 1.00 0.00 H new ATOM 439 N ILE A 31 -4.734 -6.472 9.332 1.00 0.00 N ATOM 440 CA ILE A 31 -6.023 -5.992 9.815 1.00 0.00 C ATOM 441 C ILE A 31 -6.718 -7.046 10.669 1.00 0.00 C ATOM 442 O ILE A 31 -6.273 -8.191 10.744 1.00 0.00 O ATOM 443 CB ILE A 31 -6.950 -5.599 8.649 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.096 -6.765 7.670 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.412 -4.366 7.938 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.024 -6.469 6.512 1.00 0.00 C ATOM 0 H ILE A 31 -4.794 -7.235 8.657 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.823 -5.110 10.423 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.935 -5.362 9.051 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.113 -7.026 7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.467 -7.637 8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.077 -4.100 7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.355 -3.536 8.642 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.417 -4.577 7.545 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.080 -7.340 5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.019 -6.237 6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.643 -5.617 5.949 1.00 0.00 H new ATOM 458 N SER A 32 -7.813 -6.652 11.311 1.00 0.00 N ATOM 459 CA SER A 32 -8.570 -7.563 12.162 1.00 0.00 C ATOM 460 C SER A 32 -9.812 -8.076 11.440 1.00 0.00 C ATOM 461 O SER A 32 -10.848 -8.316 12.060 1.00 0.00 O ATOM 462 CB SER A 32 -8.974 -6.863 13.461 1.00 0.00 C ATOM 463 OG SER A 32 -10.048 -5.965 13.244 1.00 0.00 O ATOM 0 H SER A 32 -8.196 -5.708 11.258 1.00 0.00 H new ATOM 0 HA SER A 32 -7.932 -8.414 12.399 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.262 -7.607 14.204 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.120 -6.321 13.867 1.00 0.00 H new ATOM 0 HG SER A 32 -10.590 -5.901 14.058 1.00 0.00 H new ATOM 469 N GLU A 33 -9.699 -8.240 10.126 1.00 0.00 N ATOM 470 CA GLU A 33 -10.813 -8.724 9.318 1.00 0.00 C ATOM 471 C GLU A 33 -10.323 -9.247 7.972 1.00 0.00 C ATOM 472 O GLU A 33 -9.241 -8.886 7.510 1.00 0.00 O ATOM 473 CB GLU A 33 -11.837 -7.607 9.102 1.00 0.00 C ATOM 474 CG GLU A 33 -12.812 -7.443 10.256 1.00 0.00 C ATOM 475 CD GLU A 33 -14.129 -6.829 9.824 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.188 -6.276 8.706 1.00 0.00 O ATOM 477 OE2 GLU A 33 -15.101 -6.902 10.604 1.00 0.00 O ATOM 0 H GLU A 33 -8.848 -8.045 9.598 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.288 -9.545 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.309 -6.666 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.398 -7.811 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.000 -8.416 10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.358 -6.817 11.024 1.00 0.00 H new ATOM 484 N ASN A 34 -11.126 -10.101 7.347 1.00 0.00 N ATOM 485 CA ASN A 34 -10.774 -10.676 6.054 1.00 0.00 C ATOM 486 C ASN A 34 -11.633 -10.082 4.942 1.00 0.00 C ATOM 487 O ASN A 34 -12.596 -10.702 4.489 1.00 0.00 O ATOM 488 CB ASN A 34 -10.942 -12.197 6.085 1.00 0.00 C ATOM 489 CG ASN A 34 -10.311 -12.873 4.883 1.00 0.00 C ATOM 490 OD1 ASN A 34 -10.185 -12.274 3.816 1.00 0.00 O ATOM 491 ND2 ASN A 34 -9.913 -14.128 5.053 1.00 0.00 N ATOM 0 H ASN A 34 -12.026 -10.410 7.715 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.730 -10.436 5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.493 -12.591 6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.004 -12.442 6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.482 -14.636 4.280 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.038 -14.585 5.956 1.00 0.00 H new ATOM 498 N ILE A 35 -11.279 -8.877 4.508 1.00 0.00 N ATOM 499 CA ILE A 35 -12.016 -8.200 3.448 1.00 0.00 C ATOM 500 C ILE A 35 -11.067 -7.554 2.444 1.00 0.00 C ATOM 501 O ILE A 35 -9.985 -7.081 2.791 1.00 0.00 O ATOM 502 CB ILE A 35 -12.955 -7.120 4.017 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.193 -6.204 4.977 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.139 -7.766 4.721 1.00 0.00 C ATOM 505 CD1 ILE A 35 -11.530 -5.029 4.292 1.00 0.00 C ATOM 0 H ILE A 35 -10.486 -8.349 4.874 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.612 -8.960 2.944 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.332 -6.516 3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.882 -5.831 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.433 -6.787 5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.794 -6.990 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.693 -8.381 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.780 -8.391 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.008 -4.423 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.816 -5.394 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.287 -4.423 3.795 1.00 0.00 H new ATOM 517 N PRO A 36 -11.481 -7.532 1.169 1.00 0.00 N ATOM 518 CA PRO A 36 -10.683 -6.944 0.088 1.00 0.00 C ATOM 519 C PRO A 36 -10.599 -5.425 0.190 1.00 0.00 C ATOM 520 O PRO A 36 -11.577 -4.761 0.528 1.00 0.00 O ATOM 521 CB PRO A 36 -11.443 -7.354 -1.176 1.00 0.00 C ATOM 522 CG PRO A 36 -12.848 -7.558 -0.725 1.00 0.00 C ATOM 523 CD PRO A 36 -12.759 -8.078 0.683 1.00 0.00 C ATOM 0 HA PRO A 36 -9.649 -7.288 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.382 -6.582 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.030 -8.265 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.409 -6.624 -0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.366 -8.267 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.598 -7.738 1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.767 -9.168 0.710 1.00 0.00 H new ATOM 531 N GLY A 37 -9.422 -4.881 -0.106 1.00 0.00 N ATOM 532 CA GLY A 37 -9.232 -3.444 -0.042 1.00 0.00 C ATOM 533 C GLY A 37 -8.426 -2.913 -1.211 1.00 0.00 C ATOM 534 O GLY A 37 -7.814 -3.681 -1.953 1.00 0.00 O ATOM 0 H GLY A 37 -8.597 -5.410 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.205 -2.953 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.727 -3.189 0.889 1.00 0.00 H new ATOM 538 N LYS A 38 -8.425 -1.595 -1.376 1.00 0.00 N ATOM 539 CA LYS A 38 -7.689 -0.960 -2.463 1.00 0.00 C ATOM 540 C LYS A 38 -6.802 0.164 -1.936 1.00 0.00 C ATOM 541 O LYS A 38 -7.179 0.882 -1.010 1.00 0.00 O ATOM 542 CB LYS A 38 -8.658 -0.410 -3.511 1.00 0.00 C ATOM 543 CG LYS A 38 -9.293 -1.485 -4.377 1.00 0.00 C ATOM 544 CD LYS A 38 -10.212 -0.885 -5.427 1.00 0.00 C ATOM 545 CE LYS A 38 -9.424 -0.304 -6.591 1.00 0.00 C ATOM 546 NZ LYS A 38 -10.183 0.766 -7.296 1.00 0.00 N ATOM 0 H LYS A 38 -8.926 -0.945 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.053 -1.715 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.445 0.150 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.126 0.293 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.512 -2.068 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.858 -2.173 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.895 -1.651 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.823 -0.104 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.481 0.101 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.178 -1.099 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.612 1.136 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.072 0.374 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.396 1.536 -6.631 1.00 0.00 H new ATOM 560 N TRP A 39 -5.624 0.311 -2.532 1.00 0.00 N ATOM 561 CA TRP A 39 -4.685 1.349 -2.123 1.00 0.00 C ATOM 562 C TRP A 39 -4.986 2.665 -2.831 1.00 0.00 C ATOM 563 O TRP A 39 -5.742 2.701 -3.803 1.00 0.00 O ATOM 564 CB TRP A 39 -3.250 0.912 -2.420 1.00 0.00 C ATOM 565 CG TRP A 39 -2.912 -0.437 -1.863 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.435 -1.638 -2.250 1.00 0.00 C ATOM 567 CD2 TRP A 39 -1.977 -0.723 -0.817 1.00 0.00 C ATOM 568 NE1 TRP A 39 -2.882 -2.653 -1.507 1.00 0.00 N ATOM 569 CE2 TRP A 39 -1.984 -2.118 -0.622 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.133 0.063 -0.027 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.181 -2.741 0.330 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.337 -0.556 0.917 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.364 -1.947 1.089 1.00 0.00 C ATOM 0 H TRP A 39 -5.297 -0.275 -3.300 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.796 1.502 -1.050 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.098 0.900 -3.499 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.561 1.650 -2.009 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.174 -1.770 -3.026 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.104 -3.644 -1.600 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.104 1.135 -0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.202 -3.812 0.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.318 0.042 1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.272 -2.401 1.835 1.00 0.00 H new ATOM 584 N THR A 40 -4.391 3.747 -2.338 1.00 0.00 N ATOM 585 CA THR A 40 -4.596 5.066 -2.924 1.00 0.00 C ATOM 586 C THR A 40 -3.349 5.931 -2.781 1.00 0.00 C ATOM 587 O THR A 40 -2.742 5.992 -1.711 1.00 0.00 O ATOM 588 CB THR A 40 -5.788 5.791 -2.270 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.901 5.407 -0.895 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.083 5.469 -3.000 1.00 0.00 C ATOM 0 H THR A 40 -3.763 3.736 -1.534 1.00 0.00 H new ATOM 0 HA THR A 40 -4.809 4.913 -3.982 1.00 0.00 H new ATOM 0 HB THR A 40 -5.611 6.865 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.089 4.933 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.911 5.992 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.004 5.789 -4.039 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.263 4.395 -2.964 1.00 0.00 H new ATOM 598 N LYS A 41 -2.972 6.600 -3.865 1.00 0.00 N ATOM 599 CA LYS A 41 -1.798 7.465 -3.861 1.00 0.00 C ATOM 600 C LYS A 41 -2.204 8.934 -3.922 1.00 0.00 C ATOM 601 O LYS A 41 -3.154 9.296 -4.614 1.00 0.00 O ATOM 602 CB LYS A 41 -0.886 7.127 -5.042 1.00 0.00 C ATOM 603 CG LYS A 41 0.145 8.202 -5.342 1.00 0.00 C ATOM 604 CD LYS A 41 1.231 7.689 -6.273 1.00 0.00 C ATOM 605 CE LYS A 41 2.250 6.842 -5.527 1.00 0.00 C ATOM 606 NZ LYS A 41 2.906 5.847 -6.420 1.00 0.00 N ATOM 0 H LYS A 41 -3.463 6.560 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.256 7.295 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.371 6.189 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.499 6.966 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.347 9.063 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.595 8.546 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.779 7.099 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.734 8.532 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.008 7.490 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.758 6.323 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.263 5.052 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.216 5.494 -7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.699 6.298 -6.920 1.00 0.00 H new ATOM 620 N ASN A 42 -1.475 9.775 -3.195 1.00 0.00 N ATOM 621 CA ASN A 42 -1.760 11.206 -3.169 1.00 0.00 C ATOM 622 C ASN A 42 -3.263 11.462 -3.206 1.00 0.00 C ATOM 623 O ASN A 42 -3.730 12.382 -3.876 1.00 0.00 O ATOM 624 CB ASN A 42 -1.083 11.903 -4.350 1.00 0.00 C ATOM 625 CG ASN A 42 0.308 11.363 -4.621 1.00 0.00 C ATOM 626 OD1 ASN A 42 0.943 10.819 -3.589 1.00 0.00 O flip ATOM 627 ND2 ASN A 42 0.806 11.434 -5.745 1.00 0.00 N flip ATOM 0 H ASN A 42 -0.684 9.491 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.363 11.614 -2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.698 11.780 -5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.022 12.973 -4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.282 11.860 -6.509 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.743 11.066 -5.912 1.00 0.00 H new ATOM 634 N GLY A 43 -4.016 10.642 -2.479 1.00 0.00 N ATOM 635 CA GLY A 43 -5.459 10.797 -2.442 1.00 0.00 C ATOM 636 C GLY A 43 -6.112 10.466 -3.769 1.00 0.00 C ATOM 637 O GLY A 43 -6.964 11.212 -4.254 1.00 0.00 O ATOM 0 H GLY A 43 -3.653 9.873 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.871 10.151 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.704 11.823 -2.166 1.00 0.00 H new ATOM 641 N LEU A 44 -5.711 9.346 -4.361 1.00 0.00 N ATOM 642 CA LEU A 44 -6.262 8.918 -5.642 1.00 0.00 C ATOM 643 C LEU A 44 -6.177 7.403 -5.793 1.00 0.00 C ATOM 644 O LEU A 44 -5.315 6.744 -5.211 1.00 0.00 O ATOM 645 CB LEU A 44 -5.518 9.599 -6.792 1.00 0.00 C ATOM 646 CG LEU A 44 -5.668 11.118 -6.883 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.712 11.688 -7.920 1.00 0.00 C ATOM 648 CD2 LEU A 44 -7.105 11.493 -7.217 1.00 0.00 C ATOM 0 H LEU A 44 -5.006 8.718 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.312 9.209 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.458 9.364 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.863 9.163 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.417 11.547 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.833 12.770 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.686 11.451 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.931 11.252 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.193 12.578 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.383 11.052 -8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.769 11.118 -6.438 1.00 0.00 H new ATOM 660 N PRO A 45 -7.091 6.835 -6.594 1.00 0.00 N ATOM 661 CA PRO A 45 -7.138 5.392 -6.843 1.00 0.00 C ATOM 662 C PRO A 45 -5.960 4.909 -7.681 1.00 0.00 C ATOM 663 O PRO A 45 -5.884 5.183 -8.879 1.00 0.00 O ATOM 664 CB PRO A 45 -8.451 5.206 -7.608 1.00 0.00 C ATOM 665 CG PRO A 45 -8.699 6.523 -8.259 1.00 0.00 C ATOM 666 CD PRO A 45 -8.148 7.560 -7.320 1.00 0.00 C ATOM 0 HA PRO A 45 -7.083 4.817 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.370 4.408 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.266 4.937 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.208 6.576 -9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.764 6.679 -8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.749 8.419 -7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.915 7.937 -6.643 1.00 0.00 H new ATOM 674 N VAL A 46 -5.043 4.187 -7.045 1.00 0.00 N ATOM 675 CA VAL A 46 -3.869 3.664 -7.733 1.00 0.00 C ATOM 676 C VAL A 46 -4.265 2.668 -8.817 1.00 0.00 C ATOM 677 O VAL A 46 -4.882 1.641 -8.534 1.00 0.00 O ATOM 678 CB VAL A 46 -2.901 2.978 -6.750 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.663 2.481 -7.480 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.522 3.930 -5.626 1.00 0.00 C ATOM 0 H VAL A 46 -5.091 3.951 -6.054 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.366 4.515 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.404 2.117 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.991 1.999 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.956 1.763 -8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.154 3.324 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.838 3.430 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.036 4.812 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.420 4.232 -5.087 1.00 0.00 H new ATOM 690 N GLN A 47 -3.906 2.978 -10.058 1.00 0.00 N ATOM 691 CA GLN A 47 -4.225 2.110 -11.185 1.00 0.00 C ATOM 692 C GLN A 47 -3.231 0.957 -11.282 1.00 0.00 C ATOM 693 O GLN A 47 -2.132 1.116 -11.812 1.00 0.00 O ATOM 694 CB GLN A 47 -4.225 2.910 -12.489 1.00 0.00 C ATOM 695 CG GLN A 47 -5.192 4.082 -12.484 1.00 0.00 C ATOM 696 CD GLN A 47 -6.627 3.656 -12.724 1.00 0.00 C ATOM 697 OE1 GLN A 47 -7.523 3.985 -11.946 1.00 0.00 O ATOM 698 NE2 GLN A 47 -6.853 2.920 -13.806 1.00 0.00 N ATOM 0 H GLN A 47 -3.394 3.824 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.220 1.696 -11.022 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.218 3.282 -12.677 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.479 2.244 -13.314 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.126 4.599 -11.526 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.896 4.796 -13.253 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.080 2.670 -14.424 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.799 2.604 -14.020 1.00 0.00 H new ATOM 707 N GLU A 48 -3.626 -0.203 -10.767 1.00 0.00 N ATOM 708 CA GLU A 48 -2.769 -1.382 -10.795 1.00 0.00 C ATOM 709 C GLU A 48 -2.136 -1.562 -12.171 1.00 0.00 C ATOM 710 O GLU A 48 -2.726 -1.201 -13.190 1.00 0.00 O ATOM 711 CB GLU A 48 -3.570 -2.632 -10.423 1.00 0.00 C ATOM 712 CG GLU A 48 -3.649 -2.881 -8.926 1.00 0.00 C ATOM 713 CD GLU A 48 -4.907 -3.626 -8.525 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.041 -4.810 -8.898 1.00 0.00 O ATOM 715 OE2 GLU A 48 -5.759 -3.025 -7.837 1.00 0.00 O ATOM 0 H GLU A 48 -4.534 -0.351 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.973 -1.238 -10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.580 -2.538 -10.821 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.118 -3.499 -10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.776 -3.452 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.613 -1.927 -8.400 1.00 0.00 H new ATOM 722 N SER A 49 -0.930 -2.121 -12.193 1.00 0.00 N ATOM 723 CA SER A 49 -0.214 -2.345 -13.443 1.00 0.00 C ATOM 724 C SER A 49 0.734 -3.535 -13.321 1.00 0.00 C ATOM 725 O SER A 49 1.168 -3.887 -12.224 1.00 0.00 O ATOM 726 CB SER A 49 0.571 -1.092 -13.838 1.00 0.00 C ATOM 727 OG SER A 49 1.506 -0.739 -12.833 1.00 0.00 O ATOM 0 H SER A 49 -0.429 -2.427 -11.359 1.00 0.00 H new ATOM 0 HA SER A 49 -0.948 -2.565 -14.218 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.092 -1.267 -14.779 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.118 -0.264 -14.005 1.00 0.00 H new ATOM 0 HG SER A 49 1.996 0.063 -13.109 1.00 0.00 H new ATOM 733 N ASP A 50 1.050 -4.150 -14.455 1.00 0.00 N ATOM 734 CA ASP A 50 1.947 -5.299 -14.477 1.00 0.00 C ATOM 735 C ASP A 50 3.072 -5.131 -13.460 1.00 0.00 C ATOM 736 O ASP A 50 3.585 -6.111 -12.920 1.00 0.00 O ATOM 737 CB ASP A 50 2.533 -5.489 -15.877 1.00 0.00 C ATOM 738 CG ASP A 50 2.672 -4.180 -16.629 1.00 0.00 C ATOM 739 OD1 ASP A 50 1.698 -3.773 -17.297 1.00 0.00 O ATOM 740 OD2 ASP A 50 3.754 -3.562 -16.549 1.00 0.00 O ATOM 0 H ASP A 50 0.698 -3.872 -15.371 1.00 0.00 H new ATOM 0 HA ASP A 50 1.369 -6.184 -14.210 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.511 -5.964 -15.797 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.895 -6.166 -16.446 1.00 0.00 H new ATOM 745 N ARG A 51 3.450 -3.882 -13.205 1.00 0.00 N ATOM 746 CA ARG A 51 4.515 -3.586 -12.255 1.00 0.00 C ATOM 747 C ARG A 51 3.989 -3.613 -10.823 1.00 0.00 C ATOM 748 O ARG A 51 4.522 -4.320 -9.967 1.00 0.00 O ATOM 749 CB ARG A 51 5.132 -2.219 -12.558 1.00 0.00 C ATOM 750 CG ARG A 51 6.030 -2.214 -13.784 1.00 0.00 C ATOM 751 CD ARG A 51 6.065 -0.845 -14.444 1.00 0.00 C ATOM 752 NE ARG A 51 6.672 -0.892 -15.771 1.00 0.00 N ATOM 753 CZ ARG A 51 6.437 0.009 -16.719 1.00 0.00 C ATOM 754 NH1 ARG A 51 5.614 1.022 -16.486 1.00 0.00 N ATOM 755 NH2 ARG A 51 7.028 -0.102 -17.902 1.00 0.00 N ATOM 0 H ARG A 51 3.035 -3.060 -13.643 1.00 0.00 H new ATOM 0 HA ARG A 51 5.282 -4.354 -12.356 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.332 -1.493 -12.701 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.710 -1.891 -11.694 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.040 -2.507 -13.497 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.674 -2.955 -14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.050 -0.455 -14.523 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.624 -0.153 -13.814 1.00 0.00 H new ATOM 0 HE ARG A 51 7.311 -1.658 -15.982 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.159 1.111 -15.577 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.435 1.712 -17.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.663 -0.879 -18.084 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.847 0.590 -18.629 1.00 0.00 H new ATOM 769 N LEU A 52 2.941 -2.837 -10.569 1.00 0.00 N ATOM 770 CA LEU A 52 2.342 -2.771 -9.240 1.00 0.00 C ATOM 771 C LEU A 52 1.278 -3.851 -9.068 1.00 0.00 C ATOM 772 O LEU A 52 0.298 -3.896 -9.811 1.00 0.00 O ATOM 773 CB LEU A 52 1.727 -1.391 -9.005 1.00 0.00 C ATOM 774 CG LEU A 52 1.441 -1.023 -7.548 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.538 0.482 -7.349 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.069 -1.531 -7.129 1.00 0.00 C ATOM 0 H LEU A 52 2.488 -2.245 -11.265 1.00 0.00 H new ATOM 0 HA LEU A 52 3.128 -2.942 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.397 -0.640 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.793 -1.331 -9.564 1.00 0.00 H new ATOM 0 HG LEU A 52 2.191 -1.501 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.332 0.725 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.541 0.819 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.811 0.981 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.117 -1.260 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.695 -1.082 -7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.035 -2.616 -7.233 1.00 0.00 H new ATOM 788 N LYS A 53 1.477 -4.718 -8.081 1.00 0.00 N ATOM 789 CA LYS A 53 0.534 -5.796 -7.807 1.00 0.00 C ATOM 790 C LYS A 53 0.028 -5.723 -6.370 1.00 0.00 C ATOM 791 O LYS A 53 0.785 -5.416 -5.449 1.00 0.00 O ATOM 792 CB LYS A 53 1.194 -7.154 -8.059 1.00 0.00 C ATOM 793 CG LYS A 53 2.654 -7.207 -7.645 1.00 0.00 C ATOM 794 CD LYS A 53 3.564 -6.677 -8.741 1.00 0.00 C ATOM 795 CE LYS A 53 3.999 -7.784 -9.689 1.00 0.00 C ATOM 796 NZ LYS A 53 5.206 -7.402 -10.472 1.00 0.00 N ATOM 0 H LYS A 53 2.284 -4.695 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.316 -5.682 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.643 -7.922 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.117 -7.395 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.797 -6.621 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.929 -8.235 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.045 -5.900 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.443 -6.214 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.208 -8.689 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.183 -8.019 -10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.759 -8.254 -10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.914 -6.938 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.789 -6.747 -9.913 1.00 0.00 H new ATOM 810 N VAL A 54 -1.257 -6.010 -6.185 1.00 0.00 N ATOM 811 CA VAL A 54 -1.864 -5.980 -4.860 1.00 0.00 C ATOM 812 C VAL A 54 -2.179 -7.389 -4.368 1.00 0.00 C ATOM 813 O VAL A 54 -3.214 -7.960 -4.710 1.00 0.00 O ATOM 814 CB VAL A 54 -3.157 -5.145 -4.854 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.882 -5.291 -3.524 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.848 -3.684 -5.144 1.00 0.00 C ATOM 0 H VAL A 54 -1.897 -6.266 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.139 -5.518 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.813 -5.518 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.793 -4.693 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.137 -6.338 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.235 -4.946 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.773 -3.108 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.173 -3.297 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.376 -3.599 -6.123 1.00 0.00 H new ATOM 826 N VAL A 55 -1.280 -7.943 -3.562 1.00 0.00 N ATOM 827 CA VAL A 55 -1.463 -9.285 -3.020 1.00 0.00 C ATOM 828 C VAL A 55 -2.168 -9.241 -1.669 1.00 0.00 C ATOM 829 O VAL A 55 -1.869 -8.391 -0.830 1.00 0.00 O ATOM 830 CB VAL A 55 -0.115 -10.014 -2.860 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.308 -11.340 -2.141 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.541 -10.224 -4.217 1.00 0.00 C ATOM 0 H VAL A 55 -0.417 -7.484 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.082 -9.832 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 55 0.545 -9.393 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.654 -11.841 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.732 -11.160 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.985 -11.971 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.492 -10.740 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.114 -10.825 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.715 -9.258 -4.690 1.00 0.00 H new ATOM 842 N GLN A 56 -3.104 -10.162 -1.466 1.00 0.00 N ATOM 843 CA GLN A 56 -3.852 -10.228 -0.216 1.00 0.00 C ATOM 844 C GLN A 56 -3.784 -11.628 0.385 1.00 0.00 C ATOM 845 O GLN A 56 -3.955 -12.626 -0.316 1.00 0.00 O ATOM 846 CB GLN A 56 -5.310 -9.830 -0.449 1.00 0.00 C ATOM 847 CG GLN A 56 -6.148 -9.822 0.820 1.00 0.00 C ATOM 848 CD GLN A 56 -7.375 -8.939 0.703 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.632 -8.348 -0.347 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.141 -8.844 1.783 1.00 0.00 N ATOM 0 H GLN A 56 -3.363 -10.873 -2.151 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.400 -9.528 0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.340 -8.838 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.756 -10.520 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.459 -10.841 1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.535 -9.478 1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.891 -9.351 2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.980 -8.264 1.764 1.00 0.00 H new ATOM 859 N LYS A 57 -3.534 -11.695 1.688 1.00 0.00 N ATOM 860 CA LYS A 57 -3.445 -12.973 2.386 1.00 0.00 C ATOM 861 C LYS A 57 -4.303 -12.965 3.647 1.00 0.00 C ATOM 862 O LYS A 57 -3.860 -12.530 4.709 1.00 0.00 O ATOM 863 CB LYS A 57 -1.990 -13.278 2.749 1.00 0.00 C ATOM 864 CG LYS A 57 -1.166 -13.790 1.579 1.00 0.00 C ATOM 865 CD LYS A 57 -1.589 -15.192 1.171 1.00 0.00 C ATOM 866 CE LYS A 57 -0.474 -15.917 0.434 1.00 0.00 C ATOM 867 NZ LYS A 57 0.527 -16.496 1.373 1.00 0.00 N ATOM 0 H LYS A 57 -3.389 -10.879 2.283 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.818 -13.750 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.525 -12.374 3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.971 -14.019 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.277 -13.114 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.110 -13.792 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.871 -15.761 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.472 -15.136 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.900 -16.712 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.023 -15.224 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.270 -16.982 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.952 -15.735 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.058 -17.176 2.004 1.00 0.00 H new ATOM 881 N GLY A 58 -5.534 -13.451 3.522 1.00 0.00 N ATOM 882 CA GLY A 58 -6.434 -13.492 4.660 1.00 0.00 C ATOM 883 C GLY A 58 -6.719 -12.114 5.224 1.00 0.00 C ATOM 884 O GLY A 58 -7.608 -11.412 4.744 1.00 0.00 O ATOM 0 H GLY A 58 -5.924 -13.817 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.372 -13.960 4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.000 -14.118 5.440 1.00 0.00 H new ATOM 888 N ARG A 59 -5.963 -11.728 6.247 1.00 0.00 N ATOM 889 CA ARG A 59 -6.141 -10.426 6.879 1.00 0.00 C ATOM 890 C ARG A 59 -4.846 -9.620 6.836 1.00 0.00 C ATOM 891 O ARG A 59 -4.614 -8.755 7.682 1.00 0.00 O ATOM 892 CB ARG A 59 -6.600 -10.598 8.328 1.00 0.00 C ATOM 893 CG ARG A 59 -7.676 -11.657 8.504 1.00 0.00 C ATOM 894 CD ARG A 59 -8.069 -11.813 9.965 1.00 0.00 C ATOM 895 NE ARG A 59 -9.094 -12.837 10.149 1.00 0.00 N ATOM 896 CZ ARG A 59 -9.748 -13.025 11.290 1.00 0.00 C ATOM 897 NH1 ARG A 59 -9.486 -12.262 12.342 1.00 0.00 N ATOM 898 NH2 ARG A 59 -10.667 -13.978 11.380 1.00 0.00 N ATOM 0 H ARG A 59 -5.222 -12.298 6.655 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.906 -9.882 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.740 -10.860 8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.977 -9.644 8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.554 -11.387 7.917 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.316 -12.611 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.188 -12.072 10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.436 -10.860 10.346 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.320 -13.441 9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.781 -11.528 12.277 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.990 -12.409 13.217 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.872 -14.567 10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.169 -14.122 12.256 1.00 0.00 H new ATOM 912 N ILE A 60 -4.006 -9.910 5.848 1.00 0.00 N ATOM 913 CA ILE A 60 -2.736 -9.212 5.696 1.00 0.00 C ATOM 914 C ILE A 60 -2.540 -8.733 4.261 1.00 0.00 C ATOM 915 O ILE A 60 -2.530 -9.532 3.324 1.00 0.00 O ATOM 916 CB ILE A 60 -1.549 -10.110 6.091 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.725 -10.624 7.522 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.239 -9.348 5.954 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.698 -11.660 7.922 1.00 0.00 C ATOM 0 H ILE A 60 -4.182 -10.624 5.141 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.768 -8.351 6.363 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.520 -10.966 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.667 -9.782 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.722 -11.053 7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.590 -9.996 6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.112 -9.026 4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.256 -8.475 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.883 -11.979 8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.770 -12.520 7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.301 -11.229 7.851 1.00 0.00 H new ATOM 931 N HIS A 61 -2.384 -7.423 4.097 1.00 0.00 N ATOM 932 CA HIS A 61 -2.186 -6.837 2.776 1.00 0.00 C ATOM 933 C HIS A 61 -0.702 -6.774 2.426 1.00 0.00 C ATOM 934 O HIS A 61 0.151 -6.661 3.308 1.00 0.00 O ATOM 935 CB HIS A 61 -2.794 -5.435 2.720 1.00 0.00 C ATOM 936 CG HIS A 61 -4.291 -5.434 2.661 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.215 -5.589 3.638 1.00 0.00 N flip ATOM 938 CD2 HIS A 61 -4.997 -5.259 1.490 1.00 0.00 C flip ATOM 939 CE1 HIS A 61 -6.451 -5.505 3.045 1.00 0.00 C flip ATOM 940 NE2 HIS A 61 -6.292 -5.305 1.749 1.00 0.00 N flip ATOM 0 H HIS A 61 -2.391 -6.748 4.862 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.687 -7.472 2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.473 -4.873 3.597 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.404 -4.913 1.846 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.560 -5.108 0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.399 -5.589 3.555 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.041 -5.203 1.065 1.00 0.00 H new ATOM 949 N LYS A 62 -0.400 -6.849 1.135 1.00 0.00 N ATOM 950 CA LYS A 62 0.981 -6.801 0.667 1.00 0.00 C ATOM 951 C LYS A 62 1.075 -6.085 -0.676 1.00 0.00 C ATOM 952 O LYS A 62 0.207 -6.239 -1.536 1.00 0.00 O ATOM 953 CB LYS A 62 1.549 -8.216 0.544 1.00 0.00 C ATOM 954 CG LYS A 62 2.985 -8.255 0.050 1.00 0.00 C ATOM 955 CD LYS A 62 3.350 -9.623 -0.499 1.00 0.00 C ATOM 956 CE LYS A 62 3.225 -10.702 0.566 1.00 0.00 C ATOM 957 NZ LYS A 62 4.402 -10.721 1.477 1.00 0.00 N ATOM 0 H LYS A 62 -1.093 -6.943 0.393 1.00 0.00 H new ATOM 0 HA LYS A 62 1.567 -6.244 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.495 -8.706 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.923 -8.791 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.124 -7.502 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.659 -7.999 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.700 -9.864 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.371 -9.603 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.318 -10.535 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.121 -11.675 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.278 -11.470 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.265 -10.906 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.487 -9.801 1.954 1.00 0.00 H new ATOM 971 N LEU A 63 2.135 -5.302 -0.851 1.00 0.00 N ATOM 972 CA LEU A 63 2.344 -4.563 -2.091 1.00 0.00 C ATOM 973 C LEU A 63 3.826 -4.277 -2.311 1.00 0.00 C ATOM 974 O LEU A 63 4.445 -3.535 -1.549 1.00 0.00 O ATOM 975 CB LEU A 63 1.558 -3.251 -2.065 1.00 0.00 C ATOM 976 CG LEU A 63 1.476 -2.490 -3.389 1.00 0.00 C ATOM 977 CD1 LEU A 63 0.258 -1.581 -3.408 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.748 -1.687 -3.621 1.00 0.00 C ATOM 0 H LEU A 63 2.862 -5.163 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 63 1.985 -5.178 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.543 -3.465 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.009 -2.596 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 63 1.375 -3.214 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.217 -1.048 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.645 -2.180 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.328 -0.862 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.673 -1.152 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.880 -0.972 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.603 -2.362 -3.653 1.00 0.00 H new ATOM 990 N VAL A 64 4.388 -4.869 -3.360 1.00 0.00 N ATOM 991 CA VAL A 64 5.796 -4.675 -3.684 1.00 0.00 C ATOM 992 C VAL A 64 5.972 -4.230 -5.131 1.00 0.00 C ATOM 993 O VAL A 64 5.592 -4.942 -6.061 1.00 0.00 O ATOM 994 CB VAL A 64 6.608 -5.964 -3.453 1.00 0.00 C ATOM 995 CG1 VAL A 64 6.514 -6.400 -1.999 1.00 0.00 C ATOM 996 CG2 VAL A 64 6.127 -7.069 -4.381 1.00 0.00 C ATOM 0 H VAL A 64 3.889 -5.487 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 64 6.168 -3.895 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 64 7.654 -5.760 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.093 -7.312 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.910 -5.613 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.472 -6.588 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.711 -7.972 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.074 -7.274 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.251 -6.754 -5.417 1.00 0.00 H new ATOM 1006 N ILE A 65 6.549 -3.047 -5.314 1.00 0.00 N ATOM 1007 CA ILE A 65 6.777 -2.507 -6.649 1.00 0.00 C ATOM 1008 C ILE A 65 7.973 -3.177 -7.316 1.00 0.00 C ATOM 1009 O ILE A 65 8.969 -3.485 -6.663 1.00 0.00 O ATOM 1010 CB ILE A 65 7.011 -0.986 -6.609 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.823 -0.282 -5.950 1.00 0.00 C ATOM 1012 CG2 ILE A 65 7.241 -0.448 -8.013 1.00 0.00 C ATOM 1013 CD1 ILE A 65 6.030 1.204 -5.761 1.00 0.00 C ATOM 0 H ILE A 65 6.867 -2.444 -4.555 1.00 0.00 H new ATOM 0 HA ILE A 65 5.878 -2.712 -7.230 1.00 0.00 H new ATOM 0 HB ILE A 65 7.902 -0.786 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.933 -0.442 -6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.632 -0.740 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.405 0.629 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.116 -0.930 -8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.367 -0.656 -8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.148 1.637 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.901 1.372 -5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.191 1.675 -6.731 1.00 0.00 H new ATOM 1025 N ALA A 66 7.868 -3.399 -8.623 1.00 0.00 N ATOM 1026 CA ALA A 66 8.942 -4.028 -9.380 1.00 0.00 C ATOM 1027 C ALA A 66 10.155 -3.109 -9.480 1.00 0.00 C ATOM 1028 O ALA A 66 11.285 -3.528 -9.234 1.00 0.00 O ATOM 1029 CB ALA A 66 8.454 -4.414 -10.768 1.00 0.00 C ATOM 0 H ALA A 66 7.049 -3.152 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 66 9.246 -4.931 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.267 -4.883 -11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.624 -5.115 -10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.121 -3.522 -11.298 1.00 0.00 H new ATOM 1035 N ASN A 67 9.912 -1.854 -9.844 1.00 0.00 N ATOM 1036 CA ASN A 67 10.985 -0.876 -9.978 1.00 0.00 C ATOM 1037 C ASN A 67 10.652 0.405 -9.218 1.00 0.00 C ATOM 1038 O ASN A 67 9.652 1.064 -9.500 1.00 0.00 O ATOM 1039 CB ASN A 67 11.231 -0.556 -11.454 1.00 0.00 C ATOM 1040 CG ASN A 67 11.469 -1.803 -12.284 1.00 0.00 C ATOM 1041 OD1 ASN A 67 10.524 -2.473 -12.702 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.735 -2.121 -12.525 1.00 0.00 N ATOM 0 H ASN A 67 8.982 -1.491 -10.051 1.00 0.00 H new ATOM 0 HA ASN A 67 11.890 -1.307 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.373 -0.015 -11.854 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.093 0.105 -11.541 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.957 -2.950 -13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.486 -1.536 -12.159 1.00 0.00 H new ATOM 1049 N ALA A 68 11.498 0.750 -8.253 1.00 0.00 N ATOM 1050 CA ALA A 68 11.296 1.952 -7.454 1.00 0.00 C ATOM 1051 C ALA A 68 11.523 3.210 -8.287 1.00 0.00 C ATOM 1052 O ALA A 68 12.601 3.408 -8.849 1.00 0.00 O ATOM 1053 CB ALA A 68 12.219 1.944 -6.245 1.00 0.00 C ATOM 0 H ALA A 68 12.330 0.214 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 68 10.262 1.958 -7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.057 2.848 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.006 1.069 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.256 1.909 -6.579 1.00 0.00 H new ATOM 1059 N LEU A 69 10.502 4.056 -8.363 1.00 0.00 N ATOM 1060 CA LEU A 69 10.590 5.295 -9.128 1.00 0.00 C ATOM 1061 C LEU A 69 10.228 6.496 -8.261 1.00 0.00 C ATOM 1062 O LEU A 69 9.637 6.349 -7.191 1.00 0.00 O ATOM 1063 CB LEU A 69 9.665 5.232 -10.345 1.00 0.00 C ATOM 1064 CG LEU A 69 10.190 4.446 -11.547 1.00 0.00 C ATOM 1065 CD1 LEU A 69 9.120 4.337 -12.622 1.00 0.00 C ATOM 1066 CD2 LEU A 69 11.446 5.101 -12.105 1.00 0.00 C ATOM 0 H LEU A 69 9.603 3.907 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 69 11.619 5.412 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.718 4.792 -10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.452 6.251 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 69 10.446 3.440 -11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.512 3.775 -13.470 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.248 3.823 -12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.832 5.335 -12.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.806 4.528 -12.960 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.216 6.119 -12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.217 5.126 -11.334 1.00 0.00 H new ATOM 1078 N THR A 70 10.584 7.688 -8.732 1.00 0.00 N ATOM 1079 CA THR A 70 10.297 8.916 -8.001 1.00 0.00 C ATOM 1080 C THR A 70 8.800 9.075 -7.762 1.00 0.00 C ATOM 1081 O THR A 70 8.381 9.685 -6.779 1.00 0.00 O ATOM 1082 CB THR A 70 10.819 10.153 -8.755 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.668 9.967 -10.167 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.281 10.410 -8.426 1.00 0.00 C ATOM 0 H THR A 70 11.072 7.828 -9.617 1.00 0.00 H new ATOM 0 HA THR A 70 10.810 8.841 -7.042 1.00 0.00 H new ATOM 0 HB THR A 70 10.234 11.017 -8.439 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.001 10.759 -10.639 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.627 11.289 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.388 10.581 -7.355 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.877 9.545 -8.717 1.00 0.00 H new ATOM 1092 N GLU A 71 7.998 8.521 -8.666 1.00 0.00 N ATOM 1093 CA GLU A 71 6.546 8.603 -8.551 1.00 0.00 C ATOM 1094 C GLU A 71 6.057 7.871 -7.305 1.00 0.00 C ATOM 1095 O GLU A 71 4.981 8.162 -6.784 1.00 0.00 O ATOM 1096 CB GLU A 71 5.880 8.014 -9.797 1.00 0.00 C ATOM 1097 CG GLU A 71 6.637 8.298 -11.083 1.00 0.00 C ATOM 1098 CD GLU A 71 5.817 7.992 -12.322 1.00 0.00 C ATOM 1099 OE1 GLU A 71 4.683 8.506 -12.425 1.00 0.00 O ATOM 1100 OE2 GLU A 71 6.309 7.239 -13.188 1.00 0.00 O ATOM 0 H GLU A 71 8.328 8.011 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 71 6.272 9.654 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.784 6.935 -9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.870 8.416 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.937 9.346 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.551 7.704 -11.101 1.00 0.00 H new ATOM 1107 N ASP A 72 6.855 6.919 -6.834 1.00 0.00 N ATOM 1108 CA ASP A 72 6.505 6.145 -5.649 1.00 0.00 C ATOM 1109 C ASP A 72 6.658 6.986 -4.385 1.00 0.00 C ATOM 1110 O ASP A 72 6.110 6.651 -3.336 1.00 0.00 O ATOM 1111 CB ASP A 72 7.381 4.895 -5.553 1.00 0.00 C ATOM 1112 CG ASP A 72 7.507 4.173 -6.880 1.00 0.00 C ATOM 1113 OD1 ASP A 72 6.871 4.616 -7.859 1.00 0.00 O ATOM 1114 OD2 ASP A 72 8.242 3.165 -6.939 1.00 0.00 O ATOM 0 H ASP A 72 7.749 6.665 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 72 5.462 5.843 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.373 5.176 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.960 4.216 -4.812 1.00 0.00 H new ATOM 1119 N GLU A 73 7.406 8.079 -4.495 1.00 0.00 N ATOM 1120 CA GLU A 73 7.632 8.967 -3.360 1.00 0.00 C ATOM 1121 C GLU A 73 6.439 9.895 -3.150 1.00 0.00 C ATOM 1122 O GLU A 73 6.138 10.738 -3.994 1.00 0.00 O ATOM 1123 CB GLU A 73 8.903 9.792 -3.574 1.00 0.00 C ATOM 1124 CG GLU A 73 9.176 10.788 -2.460 1.00 0.00 C ATOM 1125 CD GLU A 73 9.925 12.014 -2.945 1.00 0.00 C ATOM 1126 OE1 GLU A 73 11.051 11.856 -3.461 1.00 0.00 O ATOM 1127 OE2 GLU A 73 9.385 13.132 -2.808 1.00 0.00 O ATOM 0 H GLU A 73 7.866 8.371 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 73 7.753 8.352 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.754 9.117 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.823 10.329 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.231 11.097 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.754 10.300 -1.675 1.00 0.00 H new ATOM 1134 N GLY A 74 5.762 9.733 -2.017 1.00 0.00 N ATOM 1135 CA GLY A 74 4.610 10.562 -1.716 1.00 0.00 C ATOM 1136 C GLY A 74 3.923 10.154 -0.428 1.00 0.00 C ATOM 1137 O GLY A 74 4.436 10.403 0.663 1.00 0.00 O ATOM 0 H GLY A 74 5.991 9.042 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.925 11.603 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.898 10.502 -2.539 1.00 0.00 H new ATOM 1141 N ASP A 75 2.758 9.528 -0.553 1.00 0.00 N ATOM 1142 CA ASP A 75 1.999 9.085 0.610 1.00 0.00 C ATOM 1143 C ASP A 75 1.146 7.866 0.272 1.00 0.00 C ATOM 1144 O ASP A 75 0.338 7.900 -0.657 1.00 0.00 O ATOM 1145 CB ASP A 75 1.109 10.218 1.126 1.00 0.00 C ATOM 1146 CG ASP A 75 1.831 11.120 2.107 1.00 0.00 C ATOM 1147 OD1 ASP A 75 2.537 10.592 2.991 1.00 0.00 O ATOM 1148 OD2 ASP A 75 1.691 12.356 1.991 1.00 0.00 O ATOM 0 H ASP A 75 2.319 9.316 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 75 2.707 8.805 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.756 10.812 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.228 9.794 1.608 1.00 0.00 H new ATOM 1153 N TYR A 76 1.334 6.791 1.029 1.00 0.00 N ATOM 1154 CA TYR A 76 0.585 5.560 0.807 1.00 0.00 C ATOM 1155 C TYR A 76 -0.637 5.493 1.719 1.00 0.00 C ATOM 1156 O TYR A 76 -0.536 5.704 2.928 1.00 0.00 O ATOM 1157 CB TYR A 76 1.481 4.343 1.046 1.00 0.00 C ATOM 1158 CG TYR A 76 2.383 4.018 -0.123 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.314 4.940 -0.585 1.00 0.00 C ATOM 1160 CD2 TYR A 76 2.304 2.788 -0.765 1.00 0.00 C ATOM 1161 CE1 TYR A 76 4.141 4.647 -1.652 1.00 0.00 C ATOM 1162 CE2 TYR A 76 3.128 2.486 -1.833 1.00 0.00 C ATOM 1163 CZ TYR A 76 4.044 3.419 -2.273 1.00 0.00 C ATOM 1164 OH TYR A 76 4.865 3.122 -3.336 1.00 0.00 O ATOM 0 H TYR A 76 1.998 6.747 1.802 1.00 0.00 H new ATOM 0 HA TYR A 76 0.244 5.554 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.094 4.522 1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.855 3.478 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.393 5.903 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.587 2.056 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.860 5.375 -1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.055 1.525 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 76 5.291 2.252 -3.187 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.791 5.198 1.130 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.033 5.101 1.888 1.00 0.00 C ATOM 1176 C VAL A 77 -3.868 3.912 1.425 1.00 0.00 C ATOM 1177 O VAL A 77 -4.095 3.727 0.230 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.872 6.385 1.757 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.183 6.247 2.517 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.084 7.589 2.251 1.00 0.00 C ATOM 0 H VAL A 77 -1.892 5.022 0.130 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.756 4.962 2.933 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.105 6.540 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.762 7.164 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.752 5.410 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.975 6.067 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.692 8.488 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.818 7.445 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.176 7.698 1.658 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.322 3.108 2.381 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.132 1.935 2.072 1.00 0.00 C ATOM 1192 C PHE A 78 -6.547 2.091 2.622 1.00 0.00 C ATOM 1193 O PHE A 78 -6.737 2.481 3.773 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.484 0.675 2.649 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.396 -0.519 2.656 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.536 -1.307 1.525 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.114 -0.852 3.793 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.375 -2.406 1.529 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.954 -1.949 3.803 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.084 -2.728 2.669 1.00 0.00 C ATOM 0 H PHE A 78 -4.143 3.247 3.375 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.191 1.840 0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.592 0.437 2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.157 0.879 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.984 -1.060 0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.016 -0.247 4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.476 -3.012 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.508 -2.197 4.696 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.739 -3.587 2.675 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.536 1.783 1.790 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.933 1.887 2.192 1.00 0.00 C ATOM 1212 C ALA A 79 -9.718 0.647 1.777 1.00 0.00 C ATOM 1213 O ALA A 79 -9.758 0.272 0.604 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.563 3.137 1.596 1.00 0.00 C ATOM 0 H ALA A 79 -7.396 1.459 0.833 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.967 1.960 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.606 3.201 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.026 4.018 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.509 3.089 0.508 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.358 -0.006 2.758 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.153 -1.214 2.518 1.00 0.00 C ATOM 1222 C PRO A 80 -12.434 -0.920 1.745 1.00 0.00 C ATOM 1223 O PRO A 80 -12.957 0.194 1.792 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.481 -1.709 3.929 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.418 -0.490 4.782 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.354 0.384 4.178 1.00 0.00 C ATOM 0 HA PRO A 80 -10.615 -1.942 1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.469 -2.169 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.766 -2.462 4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.380 0.023 4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.173 -0.747 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.583 1.442 4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.382 0.211 4.640 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.936 -1.925 1.036 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.157 -1.774 0.254 1.00 0.00 C ATOM 1236 C ASP A 81 -15.390 -1.993 1.125 1.00 0.00 C ATOM 1237 O ASP A 81 -16.501 -2.149 0.618 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.164 -2.758 -0.917 1.00 0.00 C ATOM 1239 CG ASP A 81 -15.118 -2.342 -2.018 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -15.374 -1.127 -2.153 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -15.611 -3.230 -2.745 1.00 0.00 O ATOM 0 H ASP A 81 -12.516 -2.853 0.987 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.185 -0.757 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.157 -2.839 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.442 -3.748 -0.554 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.186 -2.004 2.438 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.281 -2.202 3.380 1.00 0.00 C ATOM 1248 C ALA A 82 -16.396 -1.027 4.345 1.00 0.00 C ATOM 1249 O ALA A 82 -17.489 -0.690 4.801 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.088 -3.501 4.148 1.00 0.00 C ATOM 0 H ALA A 82 -14.272 -1.878 2.874 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.209 -2.263 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.913 -3.636 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.065 -4.337 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.148 -3.462 4.698 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.262 -0.407 4.652 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.235 0.729 5.565 1.00 0.00 C ATOM 1258 C TYR A 83 -14.548 1.929 4.922 1.00 0.00 C ATOM 1259 O TYR A 83 -14.025 1.838 3.812 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.516 0.351 6.862 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.953 -0.981 7.429 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.609 -2.172 6.801 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.709 -1.049 8.593 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -15.006 -3.391 7.315 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.109 -2.264 9.115 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.755 -3.432 8.473 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.153 -4.644 8.989 1.00 0.00 O ATOM 0 H TYR A 83 -14.349 -0.672 4.282 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.265 1.002 5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.442 0.323 6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.692 1.128 7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -14.021 -2.144 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.989 -0.136 9.098 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.732 -4.307 6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.696 -2.299 10.021 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.720 -5.369 8.492 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.553 3.055 5.628 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.930 4.275 5.127 1.00 0.00 C ATOM 1279 C ASN A 84 -12.649 4.587 5.895 1.00 0.00 C ATOM 1280 O ASN A 84 -12.256 5.746 6.022 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.903 5.451 5.237 1.00 0.00 C ATOM 1282 CG ASN A 84 -16.062 5.334 4.266 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -16.650 4.264 4.109 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -16.396 6.439 3.609 1.00 0.00 N ATOM 0 H ASN A 84 -14.982 3.148 6.549 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.675 4.119 4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.289 5.506 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.367 6.381 5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.168 6.422 2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.880 7.304 3.771 1.00 0.00 H new ATOM 1291 N VAL A 85 -12.002 3.543 6.405 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.765 3.705 7.159 1.00 0.00 C ATOM 1293 C VAL A 85 -9.576 3.906 6.226 1.00 0.00 C ATOM 1294 O VAL A 85 -9.559 3.400 5.103 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.494 2.487 8.062 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -10.337 1.226 7.226 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -9.262 2.724 8.921 1.00 0.00 C ATOM 0 H VAL A 85 -12.314 2.577 6.309 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.888 4.590 7.783 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.349 2.351 8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.146 0.376 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.251 1.049 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.501 1.348 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.086 1.853 9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.397 2.888 8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.419 3.601 9.548 1.00 0.00 H new ATOM 1307 N THR A 86 -8.579 4.649 6.699 1.00 0.00 N ATOM 1308 CA THR A 86 -7.385 4.918 5.907 1.00 0.00 C ATOM 1309 C THR A 86 -6.121 4.728 6.738 1.00 0.00 C ATOM 1310 O THR A 86 -6.075 5.098 7.912 1.00 0.00 O ATOM 1311 CB THR A 86 -7.400 6.349 5.337 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.655 7.291 6.384 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.459 6.488 4.254 1.00 0.00 C ATOM 0 H THR A 86 -8.575 5.075 7.626 1.00 0.00 H new ATOM 0 HA THR A 86 -7.385 4.206 5.082 1.00 0.00 H new ATOM 0 HB THR A 86 -6.424 6.552 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.661 8.198 6.013 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.451 7.507 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.245 5.790 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.440 6.267 4.674 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.096 4.150 6.122 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.829 3.911 6.805 1.00 0.00 C ATOM 1323 C LEU A 87 -2.697 4.690 6.142 1.00 0.00 C ATOM 1324 O LEU A 87 -2.195 4.320 5.080 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.501 2.417 6.806 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.443 1.525 7.616 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.867 1.640 7.094 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.974 0.078 7.574 1.00 0.00 C ATOM 0 H LEU A 87 -5.117 3.838 5.151 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.929 4.256 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.497 2.065 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.489 2.287 7.191 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.429 1.861 8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.523 0.998 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.202 2.674 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.898 1.330 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.656 -0.543 8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.959 -0.270 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.971 0.008 7.995 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.285 5.795 6.781 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.206 6.648 6.273 1.00 0.00 C ATOM 1342 C PRO A 88 0.157 5.970 6.358 1.00 0.00 C ATOM 1343 O PRO A 88 0.441 5.243 7.309 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.255 7.869 7.195 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.864 7.365 8.458 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.839 6.295 8.050 1.00 0.00 C ATOM 0 HA PRO A 88 -1.338 6.888 5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.258 8.273 7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.852 8.670 6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.102 6.964 9.126 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.368 8.168 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.905 5.505 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.844 6.696 7.919 1.00 0.00 H new ATOM 1354 N ALA A 89 0.998 6.215 5.358 1.00 0.00 N ATOM 1355 CA ALA A 89 2.332 5.631 5.321 1.00 0.00 C ATOM 1356 C ALA A 89 3.309 6.539 4.581 1.00 0.00 C ATOM 1357 O ALA A 89 3.050 6.958 3.453 1.00 0.00 O ATOM 1358 CB ALA A 89 2.289 4.256 4.670 1.00 0.00 C ATOM 0 H ALA A 89 0.778 6.814 4.563 1.00 0.00 H new ATOM 0 HA ALA A 89 2.683 5.524 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.293 3.832 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.631 3.603 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.913 4.347 3.651 1.00 0.00 H new ATOM 1364 N LYS A 90 4.433 6.839 5.224 1.00 0.00 N ATOM 1365 CA LYS A 90 5.450 7.697 4.627 1.00 0.00 C ATOM 1366 C LYS A 90 6.421 6.881 3.779 1.00 0.00 C ATOM 1367 O LYS A 90 6.840 5.792 4.172 1.00 0.00 O ATOM 1368 CB LYS A 90 6.216 8.449 5.717 1.00 0.00 C ATOM 1369 CG LYS A 90 7.121 9.543 5.180 1.00 0.00 C ATOM 1370 CD LYS A 90 7.379 10.617 6.224 1.00 0.00 C ATOM 1371 CE LYS A 90 8.643 11.404 5.914 1.00 0.00 C ATOM 1372 NZ LYS A 90 9.872 10.635 6.255 1.00 0.00 N ATOM 0 H LYS A 90 4.662 6.501 6.158 1.00 0.00 H new ATOM 0 HA LYS A 90 4.948 8.418 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.502 8.889 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.817 7.738 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.069 9.109 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.665 9.994 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.528 11.296 6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.468 10.156 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.659 11.664 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.634 12.340 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.705 11.251 6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.807 10.293 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.964 9.824 5.610 1.00 0.00 H new ATOM 1386 N VAL A 91 6.775 7.415 2.615 1.00 0.00 N ATOM 1387 CA VAL A 91 7.699 6.738 1.713 1.00 0.00 C ATOM 1388 C VAL A 91 8.821 7.671 1.273 1.00 0.00 C ATOM 1389 O VAL A 91 8.658 8.892 1.257 1.00 0.00 O ATOM 1390 CB VAL A 91 6.973 6.202 0.465 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.539 4.760 0.677 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.780 7.082 0.124 1.00 0.00 C ATOM 0 H VAL A 91 6.436 8.315 2.274 1.00 0.00 H new ATOM 0 HA VAL A 91 8.124 5.900 2.266 1.00 0.00 H new ATOM 0 HB VAL A 91 7.666 6.227 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.028 4.399 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.415 4.141 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.862 4.705 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.279 6.689 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.083 7.091 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.122 8.098 -0.075 1.00 0.00 H new ATOM 1402 N HIS A 92 9.961 7.089 0.915 1.00 0.00 N ATOM 1403 CA HIS A 92 11.112 7.869 0.472 1.00 0.00 C ATOM 1404 C HIS A 92 11.948 7.082 -0.532 1.00 0.00 C ATOM 1405 O HIS A 92 12.285 5.921 -0.301 1.00 0.00 O ATOM 1406 CB HIS A 92 11.975 8.268 1.670 1.00 0.00 C ATOM 1407 CG HIS A 92 12.928 9.385 1.376 1.00 0.00 C ATOM 1408 ND1 HIS A 92 12.955 10.561 2.096 1.00 0.00 N ATOM 1409 CD2 HIS A 92 13.892 9.501 0.433 1.00 0.00 C ATOM 1410 CE1 HIS A 92 13.894 11.352 1.609 1.00 0.00 C ATOM 1411 NE2 HIS A 92 14.478 10.732 0.599 1.00 0.00 N ATOM 0 H HIS A 92 10.113 6.080 0.923 1.00 0.00 H new ATOM 0 HA HIS A 92 10.743 8.770 -0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.325 8.563 2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.540 7.398 2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.152 8.763 -0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 92 14.142 12.338 1.974 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.240 11.107 0.034 1.00 0.00 H new ATOM 1420 N VAL A 93 12.279 7.722 -1.650 1.00 0.00 N ATOM 1421 CA VAL A 93 13.075 7.083 -2.690 1.00 0.00 C ATOM 1422 C VAL A 93 14.387 7.827 -2.914 1.00 0.00 C ATOM 1423 O VAL A 93 14.394 9.037 -3.141 1.00 0.00 O ATOM 1424 CB VAL A 93 12.305 7.010 -4.022 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.067 8.405 -4.578 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.057 6.148 -5.025 1.00 0.00 C ATOM 0 H VAL A 93 12.008 8.683 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 93 13.289 6.071 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 93 11.335 6.549 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.522 8.333 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.484 8.987 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.025 8.896 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.499 6.107 -5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.042 6.578 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.170 5.140 -4.626 1.00 0.00 H new ATOM 1436 N ILE A 94 15.494 7.096 -2.848 1.00 0.00 N ATOM 1437 CA ILE A 94 16.812 7.687 -3.045 1.00 0.00 C ATOM 1438 C ILE A 94 17.145 7.806 -4.529 1.00 0.00 C ATOM 1439 O ILE A 94 17.096 6.822 -5.267 1.00 0.00 O ATOM 1440 CB ILE A 94 17.910 6.862 -2.349 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.486 6.511 -0.921 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.225 7.626 -2.344 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.622 6.005 -0.060 1.00 0.00 C ATOM 0 H ILE A 94 15.505 6.094 -2.660 1.00 0.00 H new ATOM 0 HA ILE A 94 16.781 8.682 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 94 18.054 5.935 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.051 7.394 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.704 5.753 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 94 19.991 7.029 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.531 7.830 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.097 8.567 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 94 18.248 5.776 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 94 19.043 5.103 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.395 6.770 0.009 1.00 0.00 H new