USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 996 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 127 THR OG1 : rot 83:sc= -5.6! USER MOD Set 1.2: A 128 ASN : amide:sc= 1.3 K(o=-4.3,f=-8.2) USER MOD Set 2.1: A 73 ASN : amide:sc= -2.15! C(o=-5.1!,f=-5.9!) USER MOD Set 2.2: A 99 GLN : amide:sc= -2.91! X(o=-5.1!,f=-5.1) USER MOD Set 3.1: A 12 MET CE :methyl -151:sc= -1.78 (180deg=-3.49!) USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 10 THR OG1 : rot -64:sc= 0.035 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.096 K(o=-0.096,f=-2.3!) USER MOD Single : A 22 SER OG : rot -78:sc= 1.22 USER MOD Single : A 23 MET CE :methyl -148:sc= -0.678 (180deg=-2.67!) USER MOD Single : A 29 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.23) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 83:sc= -0.14 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 50 ASN : amide:sc= -0.0542 K(o=-0.054,f=-0.94) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 118:sc= 0.13 USER MOD Single : A 78 HIS : no HE2:sc= -3.19! C(o=-3.2!,f=-2.8!) USER MOD Single : A 86 SER OG : rot 52:sc= 1.03 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 27:sc= -0.333 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.4!) USER MOD Single : A 110 ASN : amide:sc= -0.128 K(o=-0.13,f=-2!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN :FLIP amide:sc= -5.51! C(o=-7!,f=-5.5!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-17!) USER MOD Single : A 135 THR OG1 : rot -100:sc= -0.22 USER MOD Single : A 136 ASN : amide:sc= -0.967 K(o=-0.97,f=-1.7!) USER MOD Single : A 139 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 10 -8.433 9.018 1.055 1.00 0.00 N ATOM 91 CA THR A 10 -7.486 8.475 2.014 1.00 0.00 C ATOM 92 C THR A 10 -6.712 7.308 1.398 1.00 0.00 C ATOM 93 O THR A 10 -7.087 6.798 0.343 1.00 0.00 O ATOM 94 CB THR A 10 -8.260 8.091 3.277 1.00 0.00 C ATOM 95 OG1 THR A 10 -9.377 7.354 2.789 1.00 0.00 O ATOM 96 CG2 THR A 10 -8.887 9.302 3.970 1.00 0.00 C ATOM 0 HA THR A 10 -6.733 9.214 2.288 1.00 0.00 H new ATOM 0 HB THR A 10 -7.592 7.581 3.971 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.938 7.937 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.424 8.974 4.860 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.103 10.003 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.581 9.793 3.288 1.00 0.00 H new ATOM 104 N VAL A 11 -5.646 6.920 2.082 1.00 0.00 N ATOM 105 CA VAL A 11 -4.816 5.822 1.615 1.00 0.00 C ATOM 106 C VAL A 11 -5.712 4.697 1.093 1.00 0.00 C ATOM 107 O VAL A 11 -5.534 4.228 -0.030 1.00 0.00 O ATOM 108 CB VAL A 11 -3.873 5.368 2.731 1.00 0.00 C ATOM 109 CG1 VAL A 11 -4.554 5.466 4.097 1.00 0.00 C ATOM 110 CG2 VAL A 11 -3.363 3.948 2.473 1.00 0.00 C ATOM 0 H VAL A 11 -5.338 7.346 2.956 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.185 6.145 0.787 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.013 6.037 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.862 5.138 4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.846 6.499 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.440 4.831 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.695 3.649 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.208 3.261 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.823 3.922 1.527 1.00 0.00 H new ATOM 120 N MET A 12 -6.655 4.297 1.933 1.00 0.00 N ATOM 121 CA MET A 12 -7.579 3.236 1.571 1.00 0.00 C ATOM 122 C MET A 12 -8.451 3.650 0.384 1.00 0.00 C ATOM 123 O MET A 12 -8.466 2.976 -0.645 1.00 0.00 O ATOM 124 CB MET A 12 -8.471 2.904 2.769 1.00 0.00 C ATOM 125 CG MET A 12 -7.991 1.634 3.474 1.00 0.00 C ATOM 126 SD MET A 12 -8.041 0.252 2.345 1.00 0.00 S ATOM 127 CE MET A 12 -9.638 0.522 1.596 1.00 0.00 C ATOM 0 H MET A 12 -6.799 4.689 2.864 1.00 0.00 H new ATOM 0 HA MET A 12 -7.000 2.358 1.284 1.00 0.00 H new ATOM 0 HB2 MET A 12 -8.468 3.738 3.471 1.00 0.00 H new ATOM 0 HB3 MET A 12 -9.500 2.772 2.435 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.975 1.775 3.844 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.620 1.429 4.340 1.00 0.00 H new ATOM 0 HE1 MET A 12 -10.060 -0.434 1.285 1.00 0.00 H new ATOM 0 HE2 MET A 12 -10.303 0.995 2.318 1.00 0.00 H new ATOM 0 HE3 MET A 12 -9.527 1.170 0.726 1.00 0.00 H new ATOM 137 N ASP A 13 -9.157 4.756 0.567 1.00 0.00 N ATOM 138 CA ASP A 13 -10.030 5.268 -0.476 1.00 0.00 C ATOM 139 C ASP A 13 -9.274 5.283 -1.806 1.00 0.00 C ATOM 140 O ASP A 13 -9.795 4.834 -2.825 1.00 0.00 O ATOM 141 CB ASP A 13 -10.476 6.699 -0.168 1.00 0.00 C ATOM 142 CG ASP A 13 -11.690 6.813 0.756 1.00 0.00 C ATOM 143 OD1 ASP A 13 -12.178 5.746 1.187 1.00 0.00 O ATOM 144 OD2 ASP A 13 -12.102 7.966 1.011 1.00 0.00 O ATOM 0 H ASP A 13 -9.142 5.312 1.422 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.906 4.622 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.642 7.234 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.705 7.202 -1.107 1.00 0.00 H new ATOM 149 N VAL A 14 -8.057 5.805 -1.752 1.00 0.00 N ATOM 150 CA VAL A 14 -7.224 5.885 -2.940 1.00 0.00 C ATOM 151 C VAL A 14 -7.319 4.569 -3.713 1.00 0.00 C ATOM 152 O VAL A 14 -7.313 4.566 -4.943 1.00 0.00 O ATOM 153 CB VAL A 14 -5.790 6.248 -2.549 1.00 0.00 C ATOM 154 CG1 VAL A 14 -4.799 5.794 -3.623 1.00 0.00 C ATOM 155 CG2 VAL A 14 -5.658 7.748 -2.279 1.00 0.00 C ATOM 0 H VAL A 14 -7.628 6.177 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.576 6.676 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.550 5.720 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.787 6.064 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.865 4.713 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.038 6.282 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.629 7.979 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.926 8.304 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.324 8.031 -1.464 1.00 0.00 H new ATOM 165 N LEU A 15 -7.404 3.482 -2.961 1.00 0.00 N ATOM 166 CA LEU A 15 -7.500 2.162 -3.560 1.00 0.00 C ATOM 167 C LEU A 15 -8.907 1.965 -4.129 1.00 0.00 C ATOM 168 O LEU A 15 -9.068 1.425 -5.222 1.00 0.00 O ATOM 169 CB LEU A 15 -7.087 1.085 -2.555 1.00 0.00 C ATOM 170 CG LEU A 15 -5.765 1.323 -1.823 1.00 0.00 C ATOM 171 CD1 LEU A 15 -5.663 0.443 -0.575 1.00 0.00 C ATOM 172 CD2 LEU A 15 -4.574 1.124 -2.763 1.00 0.00 C ATOM 0 H LEU A 15 -7.408 3.488 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.803 2.071 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.878 0.987 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.022 0.132 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.742 2.360 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.714 0.632 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.484 0.676 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.718 -0.606 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.647 1.299 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.581 0.104 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.645 1.826 -3.594 1.00 0.00 H new ATOM 184 N LYS A 16 -9.888 2.415 -3.361 1.00 0.00 N ATOM 185 CA LYS A 16 -11.276 2.295 -3.775 1.00 0.00 C ATOM 186 C LYS A 16 -11.486 3.076 -5.073 1.00 0.00 C ATOM 187 O LYS A 16 -12.136 2.588 -5.997 1.00 0.00 O ATOM 188 CB LYS A 16 -12.212 2.723 -2.642 1.00 0.00 C ATOM 189 CG LYS A 16 -12.282 1.650 -1.554 1.00 0.00 C ATOM 190 CD LYS A 16 -12.858 2.221 -0.256 1.00 0.00 C ATOM 191 CE LYS A 16 -14.018 1.363 0.252 1.00 0.00 C ATOM 192 NZ LYS A 16 -14.832 2.119 1.230 1.00 0.00 N ATOM 0 H LYS A 16 -9.750 2.863 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.522 1.254 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.862 3.661 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.210 2.908 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.900 0.820 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.285 1.250 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.077 2.269 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.202 3.241 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.642 1.052 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.631 0.456 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.615 1.522 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.237 2.395 2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.217 2.972 0.776 1.00 0.00 H new ATOM 206 N GLY A 17 -10.924 4.275 -5.103 1.00 0.00 N ATOM 207 CA GLY A 17 -11.041 5.129 -6.273 1.00 0.00 C ATOM 208 C GLY A 17 -10.618 4.383 -7.540 1.00 0.00 C ATOM 209 O GLY A 17 -11.414 4.219 -8.463 1.00 0.00 O ATOM 0 H GLY A 17 -10.386 4.676 -4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.070 5.473 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.420 6.016 -6.144 1.00 0.00 H new ATOM 213 N ASP A 18 -9.366 3.950 -7.543 1.00 0.00 N ATOM 214 CA ASP A 18 -8.827 3.226 -8.682 1.00 0.00 C ATOM 215 C ASP A 18 -9.491 1.850 -8.765 1.00 0.00 C ATOM 216 O ASP A 18 -9.523 1.111 -7.782 1.00 0.00 O ATOM 217 CB ASP A 18 -7.319 3.015 -8.537 1.00 0.00 C ATOM 218 CG ASP A 18 -6.495 4.299 -8.412 1.00 0.00 C ATOM 219 OD1 ASP A 18 -6.731 5.207 -9.238 1.00 0.00 O ATOM 220 OD2 ASP A 18 -5.649 4.343 -7.493 1.00 0.00 O ATOM 0 H ASP A 18 -8.709 4.087 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.024 3.813 -9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.137 2.397 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.961 2.454 -9.400 1.00 0.00 H new ATOM 225 N ASN A 19 -10.005 1.547 -9.948 1.00 0.00 N ATOM 226 CA ASN A 19 -10.666 0.272 -10.173 1.00 0.00 C ATOM 227 C ASN A 19 -9.616 -0.839 -10.227 1.00 0.00 C ATOM 228 O ASN A 19 -9.843 -1.937 -9.721 1.00 0.00 O ATOM 229 CB ASN A 19 -11.424 0.272 -11.502 1.00 0.00 C ATOM 230 CG ASN A 19 -12.431 1.422 -11.559 1.00 0.00 C ATOM 231 OD1 ASN A 19 -12.082 2.590 -11.520 1.00 0.00 O ATOM 232 ND2 ASN A 19 -13.698 1.028 -11.653 1.00 0.00 N ATOM 0 H ASN A 19 -9.977 2.162 -10.761 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.370 0.108 -9.357 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.718 0.361 -12.327 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.944 -0.678 -11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -14.446 1.721 -11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.922 0.033 -11.681 1.00 0.00 H new ATOM 239 N ARG A 20 -8.490 -0.516 -10.846 1.00 0.00 N ATOM 240 CA ARG A 20 -7.404 -1.474 -10.973 1.00 0.00 C ATOM 241 C ARG A 20 -7.281 -2.308 -9.696 1.00 0.00 C ATOM 242 O ARG A 20 -7.071 -3.519 -9.759 1.00 0.00 O ATOM 243 CB ARG A 20 -6.075 -0.767 -11.243 1.00 0.00 C ATOM 244 CG ARG A 20 -6.239 0.324 -12.303 1.00 0.00 C ATOM 245 CD ARG A 20 -5.090 0.285 -13.312 1.00 0.00 C ATOM 246 NE ARG A 20 -5.290 -0.829 -14.265 1.00 0.00 N ATOM 247 CZ ARG A 20 -4.632 -0.953 -15.425 1.00 0.00 C ATOM 248 NH1 ARG A 20 -3.726 -0.033 -15.783 1.00 0.00 N ATOM 249 NH2 ARG A 20 -4.879 -1.997 -16.228 1.00 0.00 N ATOM 0 H ARG A 20 -8.306 0.395 -11.265 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.633 -2.126 -11.816 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.699 -0.328 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.334 -1.494 -11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.188 0.192 -12.822 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.272 1.301 -11.822 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.037 1.231 -13.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.141 0.162 -12.790 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.972 -1.548 -14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.537 0.762 -15.172 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.225 -0.127 -16.666 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.568 -2.698 -15.956 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.378 -2.091 -17.111 1.00 0.00 H new ATOM 263 N PHE A 21 -7.416 -1.628 -8.567 1.00 0.00 N ATOM 264 CA PHE A 21 -7.322 -2.291 -7.278 1.00 0.00 C ATOM 265 C PHE A 21 -8.679 -2.312 -6.571 1.00 0.00 C ATOM 266 O PHE A 21 -8.776 -1.964 -5.396 1.00 0.00 O ATOM 267 CB PHE A 21 -6.332 -1.488 -6.433 1.00 0.00 C ATOM 268 CG PHE A 21 -5.176 -0.885 -7.233 1.00 0.00 C ATOM 269 CD1 PHE A 21 -4.358 -1.694 -7.959 1.00 0.00 C ATOM 270 CD2 PHE A 21 -4.966 0.458 -7.219 1.00 0.00 C ATOM 271 CE1 PHE A 21 -3.284 -1.135 -8.702 1.00 0.00 C ATOM 272 CE2 PHE A 21 -3.892 1.017 -7.962 1.00 0.00 C ATOM 273 CZ PHE A 21 -3.074 0.209 -8.688 1.00 0.00 C ATOM 0 H PHE A 21 -7.590 -0.624 -8.518 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.998 -3.323 -7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.869 -0.685 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.924 -2.135 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.525 -2.761 -7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.616 1.100 -6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.634 -1.777 -9.278 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.725 2.084 -7.950 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.258 0.634 -9.253 1.00 0.00 H new ATOM 283 N SER A 22 -9.693 -2.722 -7.319 1.00 0.00 N ATOM 284 CA SER A 22 -11.040 -2.792 -6.779 1.00 0.00 C ATOM 285 C SER A 22 -11.247 -4.126 -6.059 1.00 0.00 C ATOM 286 O SER A 22 -12.006 -4.204 -5.094 1.00 0.00 O ATOM 287 CB SER A 22 -12.086 -2.616 -7.882 1.00 0.00 C ATOM 288 OG SER A 22 -11.816 -3.444 -9.010 1.00 0.00 O ATOM 0 H SER A 22 -9.609 -3.009 -8.294 1.00 0.00 H new ATOM 0 HA SER A 22 -11.164 -1.978 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.074 -2.853 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.110 -1.572 -8.196 1.00 0.00 H new ATOM 0 HG SER A 22 -11.106 -3.039 -9.550 1.00 0.00 H new ATOM 294 N MET A 23 -10.558 -5.143 -6.556 1.00 0.00 N ATOM 295 CA MET A 23 -10.657 -6.470 -5.972 1.00 0.00 C ATOM 296 C MET A 23 -9.900 -6.543 -4.645 1.00 0.00 C ATOM 297 O MET A 23 -10.341 -7.210 -3.710 1.00 0.00 O ATOM 298 CB MET A 23 -10.080 -7.500 -6.946 1.00 0.00 C ATOM 299 CG MET A 23 -11.181 -8.104 -7.821 1.00 0.00 C ATOM 300 SD MET A 23 -11.135 -9.885 -7.718 1.00 0.00 S ATOM 301 CE MET A 23 -9.382 -10.161 -7.911 1.00 0.00 C ATOM 0 H MET A 23 -9.929 -5.075 -7.356 1.00 0.00 H new ATOM 0 HA MET A 23 -11.708 -6.685 -5.781 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.327 -7.027 -7.577 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.578 -8.291 -6.389 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.155 -7.738 -7.498 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.049 -7.788 -8.856 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.217 -11.109 -8.422 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.949 -9.352 -8.499 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.908 -10.191 -6.930 1.00 0.00 H new ATOM 311 N LEU A 24 -8.773 -5.847 -4.604 1.00 0.00 N ATOM 312 CA LEU A 24 -7.950 -5.825 -3.406 1.00 0.00 C ATOM 313 C LEU A 24 -8.770 -5.269 -2.240 1.00 0.00 C ATOM 314 O LEU A 24 -8.843 -5.886 -1.179 1.00 0.00 O ATOM 315 CB LEU A 24 -6.650 -5.060 -3.664 1.00 0.00 C ATOM 316 CG LEU A 24 -5.957 -4.481 -2.429 1.00 0.00 C ATOM 317 CD1 LEU A 24 -5.616 -5.584 -1.424 1.00 0.00 C ATOM 318 CD2 LEU A 24 -4.724 -3.665 -2.824 1.00 0.00 C ATOM 0 H LEU A 24 -8.410 -5.294 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.649 -6.836 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.952 -5.729 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.863 -4.243 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.650 -3.799 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.124 -5.146 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.531 -6.084 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.949 -6.309 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.250 -3.265 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.018 -4.305 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.025 -2.843 -3.473 1.00 0.00 H new ATOM 330 N VAL A 25 -9.366 -4.109 -2.477 1.00 0.00 N ATOM 331 CA VAL A 25 -10.178 -3.463 -1.460 1.00 0.00 C ATOM 332 C VAL A 25 -11.099 -4.501 -0.814 1.00 0.00 C ATOM 333 O VAL A 25 -11.131 -4.632 0.409 1.00 0.00 O ATOM 334 CB VAL A 25 -10.939 -2.284 -2.069 1.00 0.00 C ATOM 335 CG1 VAL A 25 -11.939 -1.702 -1.068 1.00 0.00 C ATOM 336 CG2 VAL A 25 -9.974 -1.208 -2.569 1.00 0.00 C ATOM 0 H VAL A 25 -9.302 -3.600 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.548 -3.052 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.500 -2.654 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.467 -0.865 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.657 -2.471 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.407 -1.355 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.541 -0.381 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.373 -0.843 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.319 -1.632 -3.331 1.00 0.00 H new ATOM 346 N ALA A 26 -11.825 -5.211 -1.664 1.00 0.00 N ATOM 347 CA ALA A 26 -12.744 -6.232 -1.192 1.00 0.00 C ATOM 348 C ALA A 26 -12.065 -7.055 -0.095 1.00 0.00 C ATOM 349 O ALA A 26 -12.672 -7.342 0.936 1.00 0.00 O ATOM 350 CB ALA A 26 -13.199 -7.095 -2.371 1.00 0.00 C ATOM 0 H ALA A 26 -11.795 -5.099 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.635 -5.776 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.889 -7.861 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.701 -6.468 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.332 -7.571 -2.829 1.00 0.00 H new ATOM 356 N ALA A 27 -10.816 -7.411 -0.354 1.00 0.00 N ATOM 357 CA ALA A 27 -10.048 -8.195 0.599 1.00 0.00 C ATOM 358 C ALA A 27 -9.878 -7.394 1.891 1.00 0.00 C ATOM 359 O ALA A 27 -10.046 -7.932 2.985 1.00 0.00 O ATOM 360 CB ALA A 27 -8.707 -8.587 -0.025 1.00 0.00 C ATOM 0 H ALA A 27 -10.316 -7.171 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.573 -9.117 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.131 -9.175 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.883 -9.179 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.150 -7.687 -0.286 1.00 0.00 H new ATOM 366 N ILE A 28 -9.546 -6.123 1.723 1.00 0.00 N ATOM 367 CA ILE A 28 -9.351 -5.243 2.863 1.00 0.00 C ATOM 368 C ILE A 28 -10.680 -5.070 3.601 1.00 0.00 C ATOM 369 O ILE A 28 -10.735 -5.191 4.824 1.00 0.00 O ATOM 370 CB ILE A 28 -8.718 -3.923 2.418 1.00 0.00 C ATOM 371 CG1 ILE A 28 -7.396 -4.167 1.688 1.00 0.00 C ATOM 372 CG2 ILE A 28 -8.551 -2.969 3.602 1.00 0.00 C ATOM 373 CD1 ILE A 28 -6.992 -2.945 0.861 1.00 0.00 C ATOM 0 H ILE A 28 -9.407 -5.681 0.814 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.649 -5.684 3.570 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.393 -3.443 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.614 -4.395 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.491 -5.036 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.099 -2.038 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.527 -2.758 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.908 -3.429 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.049 -3.145 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.765 -2.734 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.874 -2.084 1.518 1.00 0.00 H new ATOM 385 N GLN A 29 -11.718 -4.789 2.827 1.00 0.00 N ATOM 386 CA GLN A 29 -13.043 -4.598 3.393 1.00 0.00 C ATOM 387 C GLN A 29 -13.466 -5.837 4.184 1.00 0.00 C ATOM 388 O GLN A 29 -13.945 -5.725 5.311 1.00 0.00 O ATOM 389 CB GLN A 29 -14.063 -4.269 2.301 1.00 0.00 C ATOM 390 CG GLN A 29 -14.970 -3.113 2.727 1.00 0.00 C ATOM 391 CD GLN A 29 -15.832 -3.507 3.928 1.00 0.00 C ATOM 392 OE1 GLN A 29 -16.413 -4.578 3.984 1.00 0.00 O ATOM 393 NE2 GLN A 29 -15.882 -2.583 4.884 1.00 0.00 N ATOM 0 H GLN A 29 -11.669 -4.689 1.813 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.006 -3.750 4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.543 -4.007 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.668 -5.150 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.363 -2.244 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.611 -2.823 1.894 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.371 -1.707 4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.431 -2.751 5.727 1.00 0.00 H new ATOM 402 N SER A 30 -13.274 -6.991 3.562 1.00 0.00 N ATOM 403 CA SER A 30 -13.630 -8.250 4.193 1.00 0.00 C ATOM 404 C SER A 30 -12.739 -8.494 5.413 1.00 0.00 C ATOM 405 O SER A 30 -13.222 -8.903 6.467 1.00 0.00 O ATOM 406 CB SER A 30 -13.511 -9.414 3.208 1.00 0.00 C ATOM 407 OG SER A 30 -14.678 -10.231 3.202 1.00 0.00 O ATOM 0 H SER A 30 -12.876 -7.080 2.627 1.00 0.00 H new ATOM 0 HA SER A 30 -14.669 -8.188 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.337 -9.024 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.645 -10.022 3.468 1.00 0.00 H new ATOM 0 HG SER A 30 -14.563 -10.962 2.559 1.00 0.00 H new ATOM 413 N ALA A 31 -11.453 -8.233 5.228 1.00 0.00 N ATOM 414 CA ALA A 31 -10.490 -8.419 6.300 1.00 0.00 C ATOM 415 C ALA A 31 -10.845 -7.492 7.465 1.00 0.00 C ATOM 416 O ALA A 31 -10.569 -7.809 8.621 1.00 0.00 O ATOM 417 CB ALA A 31 -9.078 -8.170 5.767 1.00 0.00 C ATOM 0 H ALA A 31 -11.056 -7.894 4.352 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.522 -9.443 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.356 -8.310 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.864 -8.872 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.007 -7.150 5.388 1.00 0.00 H new ATOM 423 N GLY A 32 -11.451 -6.366 7.120 1.00 0.00 N ATOM 424 CA GLY A 32 -11.847 -5.391 8.123 1.00 0.00 C ATOM 425 C GLY A 32 -10.660 -4.518 8.537 1.00 0.00 C ATOM 426 O GLY A 32 -10.522 -4.168 9.707 1.00 0.00 O ATOM 0 H GLY A 32 -11.678 -6.106 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.646 -4.762 7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.248 -5.905 8.997 1.00 0.00 H new ATOM 430 N LEU A 33 -9.835 -4.193 7.553 1.00 0.00 N ATOM 431 CA LEU A 33 -8.665 -3.367 7.800 1.00 0.00 C ATOM 432 C LEU A 33 -8.958 -1.931 7.363 1.00 0.00 C ATOM 433 O LEU A 33 -8.358 -0.987 7.875 1.00 0.00 O ATOM 434 CB LEU A 33 -7.430 -3.974 7.131 1.00 0.00 C ATOM 435 CG LEU A 33 -6.615 -4.948 7.984 1.00 0.00 C ATOM 436 CD1 LEU A 33 -5.908 -5.985 7.109 1.00 0.00 C ATOM 437 CD2 LEU A 33 -5.636 -4.198 8.889 1.00 0.00 C ATOM 0 H LEU A 33 -9.953 -4.486 6.583 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.439 -3.336 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.749 -4.493 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.775 -3.161 6.817 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.302 -5.490 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.336 -6.665 7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.649 -6.551 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.234 -5.479 6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.069 -4.914 9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.950 -3.612 8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.190 -3.533 9.552 1.00 0.00 H new ATOM 449 N THR A 34 -9.881 -1.810 6.420 1.00 0.00 N ATOM 450 CA THR A 34 -10.261 -0.504 5.907 1.00 0.00 C ATOM 451 C THR A 34 -10.500 0.472 7.061 1.00 0.00 C ATOM 452 O THR A 34 -10.104 1.634 6.987 1.00 0.00 O ATOM 453 CB THR A 34 -11.482 -0.688 5.004 1.00 0.00 C ATOM 454 OG1 THR A 34 -10.937 -1.174 3.780 1.00 0.00 O ATOM 455 CG2 THR A 34 -12.131 0.643 4.620 1.00 0.00 C ATOM 0 H THR A 34 -10.377 -2.595 5.998 1.00 0.00 H new ATOM 0 HA THR A 34 -9.461 -0.065 5.311 1.00 0.00 H new ATOM 0 HB THR A 34 -12.215 -1.318 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.661 -1.323 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 34 -12.993 0.456 3.979 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.455 1.163 5.521 1.00 0.00 H new ATOM 0 HG23 THR A 34 -11.408 1.259 4.086 1.00 0.00 H new ATOM 463 N GLU A 35 -11.148 -0.036 8.099 1.00 0.00 N ATOM 464 CA GLU A 35 -11.445 0.777 9.267 1.00 0.00 C ATOM 465 C GLU A 35 -10.153 1.336 9.866 1.00 0.00 C ATOM 466 O GLU A 35 -10.025 2.545 10.056 1.00 0.00 O ATOM 467 CB GLU A 35 -12.230 -0.024 10.307 1.00 0.00 C ATOM 468 CG GLU A 35 -13.702 0.394 10.323 1.00 0.00 C ATOM 469 CD GLU A 35 -13.865 1.804 10.893 1.00 0.00 C ATOM 470 OE1 GLU A 35 -12.908 2.593 10.738 1.00 0.00 O ATOM 471 OE2 GLU A 35 -14.943 2.061 11.472 1.00 0.00 O ATOM 0 H GLU A 35 -11.476 -1.000 8.156 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.070 1.614 8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.153 -1.089 10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.794 0.129 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.105 0.358 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.278 -0.313 10.921 1.00 0.00 H new ATOM 478 N THR A 36 -9.228 0.430 10.148 1.00 0.00 N ATOM 479 CA THR A 36 -7.951 0.819 10.722 1.00 0.00 C ATOM 480 C THR A 36 -7.289 1.902 9.868 1.00 0.00 C ATOM 481 O THR A 36 -6.776 2.887 10.397 1.00 0.00 O ATOM 482 CB THR A 36 -7.097 -0.442 10.872 1.00 0.00 C ATOM 483 OG1 THR A 36 -7.721 -1.160 11.933 1.00 0.00 O ATOM 484 CG2 THR A 36 -5.694 -0.140 11.401 1.00 0.00 C ATOM 0 H THR A 36 -9.337 -0.572 9.990 1.00 0.00 H new ATOM 0 HA THR A 36 -8.080 1.262 11.709 1.00 0.00 H new ATOM 0 HB THR A 36 -7.021 -0.945 9.908 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.232 -1.994 12.096 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.130 -1.069 11.489 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.182 0.532 10.712 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.768 0.333 12.380 1.00 0.00 H new ATOM 492 N LEU A 37 -7.323 1.684 8.562 1.00 0.00 N ATOM 493 CA LEU A 37 -6.733 2.629 7.629 1.00 0.00 C ATOM 494 C LEU A 37 -7.674 3.823 7.457 1.00 0.00 C ATOM 495 O LEU A 37 -7.327 4.801 6.796 1.00 0.00 O ATOM 496 CB LEU A 37 -6.375 1.933 6.315 1.00 0.00 C ATOM 497 CG LEU A 37 -5.455 0.716 6.429 1.00 0.00 C ATOM 498 CD1 LEU A 37 -5.688 -0.258 5.272 1.00 0.00 C ATOM 499 CD2 LEU A 37 -3.990 1.145 6.530 1.00 0.00 C ATOM 0 H LEU A 37 -7.750 0.866 8.127 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.793 3.017 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.299 1.621 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.900 2.662 5.658 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.701 0.187 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.021 -1.114 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.723 -0.600 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.486 0.245 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.357 0.261 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.714 1.710 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.854 1.770 7.413 1.00 0.00 H new ATOM 511 N ASN A 38 -8.846 3.705 8.063 1.00 0.00 N ATOM 512 CA ASN A 38 -9.839 4.762 7.985 1.00 0.00 C ATOM 513 C ASN A 38 -9.507 5.845 9.013 1.00 0.00 C ATOM 514 O ASN A 38 -9.748 7.028 8.775 1.00 0.00 O ATOM 515 CB ASN A 38 -11.238 4.228 8.297 1.00 0.00 C ATOM 516 CG ASN A 38 -12.313 5.059 7.592 1.00 0.00 C ATOM 517 OD1 ASN A 38 -12.273 6.278 7.565 1.00 0.00 O ATOM 518 ND2 ASN A 38 -13.272 4.333 7.024 1.00 0.00 N ATOM 0 H ASN A 38 -9.130 2.893 8.611 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.824 5.164 6.972 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.313 3.187 7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.407 4.247 9.374 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -14.035 4.794 6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.245 3.315 7.084 1.00 0.00 H new ATOM 525 N ARG A 39 -8.959 5.402 10.136 1.00 0.00 N ATOM 526 CA ARG A 39 -8.591 6.319 11.201 1.00 0.00 C ATOM 527 C ARG A 39 -7.244 6.976 10.895 1.00 0.00 C ATOM 528 O ARG A 39 -6.321 6.315 10.421 1.00 0.00 O ATOM 529 CB ARG A 39 -8.504 5.594 12.546 1.00 0.00 C ATOM 530 CG ARG A 39 -9.856 4.991 12.933 1.00 0.00 C ATOM 531 CD ARG A 39 -9.858 4.542 14.395 1.00 0.00 C ATOM 532 NE ARG A 39 -11.204 4.730 14.981 1.00 0.00 N ATOM 533 CZ ARG A 39 -11.656 4.066 16.053 1.00 0.00 C ATOM 534 NH1 ARG A 39 -10.873 3.167 16.664 1.00 0.00 N ATOM 535 NH2 ARG A 39 -12.892 4.302 16.515 1.00 0.00 N ATOM 0 H ARG A 39 -8.761 4.420 10.331 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.365 7.084 11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.753 4.806 12.490 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.178 6.291 13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.645 5.726 12.774 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.077 4.141 12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.566 3.494 14.462 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.123 5.114 14.961 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.827 5.408 14.541 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.932 2.988 16.313 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.218 2.662 17.480 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.488 4.987 16.050 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.237 3.797 17.331 1.00 0.00 H new ATOM 549 N GLU A 40 -7.173 8.268 11.179 1.00 0.00 N ATOM 550 CA GLU A 40 -5.954 9.021 10.940 1.00 0.00 C ATOM 551 C GLU A 40 -4.744 8.258 11.482 1.00 0.00 C ATOM 552 O GLU A 40 -4.893 7.349 12.297 1.00 0.00 O ATOM 553 CB GLU A 40 -6.043 10.419 11.556 1.00 0.00 C ATOM 554 CG GLU A 40 -6.142 10.340 13.081 1.00 0.00 C ATOM 555 CD GLU A 40 -5.321 11.449 13.742 1.00 0.00 C ATOM 556 OE1 GLU A 40 -4.084 11.421 13.566 1.00 0.00 O ATOM 557 OE2 GLU A 40 -5.949 12.300 14.408 1.00 0.00 O ATOM 0 H GLU A 40 -7.940 8.813 11.573 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.830 9.142 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.165 11.001 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.913 10.941 11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.185 10.424 13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.787 9.367 13.422 1.00 0.00 H new ATOM 564 N GLY A 41 -3.572 8.657 11.009 1.00 0.00 N ATOM 565 CA GLY A 41 -2.337 8.022 11.437 1.00 0.00 C ATOM 566 C GLY A 41 -1.378 7.840 10.259 1.00 0.00 C ATOM 567 O GLY A 41 -1.189 8.756 9.460 1.00 0.00 O ATOM 0 H GLY A 41 -3.452 9.412 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.861 8.627 12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.558 7.053 11.884 1.00 0.00 H new ATOM 571 N VAL A 42 -0.796 6.652 10.188 1.00 0.00 N ATOM 572 CA VAL A 42 0.139 6.338 9.122 1.00 0.00 C ATOM 573 C VAL A 42 0.168 4.824 8.904 1.00 0.00 C ATOM 574 O VAL A 42 0.306 4.058 9.857 1.00 0.00 O ATOM 575 CB VAL A 42 1.516 6.922 9.444 1.00 0.00 C ATOM 576 CG1 VAL A 42 1.559 8.421 9.143 1.00 0.00 C ATOM 577 CG2 VAL A 42 1.903 6.643 10.898 1.00 0.00 C ATOM 0 H VAL A 42 -0.954 5.895 10.853 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.182 6.795 8.186 1.00 0.00 H new ATOM 0 HB VAL A 42 2.247 6.430 8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.549 8.812 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.348 8.586 8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.811 8.935 9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.886 7.068 11.101 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.167 7.095 11.563 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.932 5.567 11.067 1.00 0.00 H new ATOM 587 N TYR A 43 0.036 4.437 7.643 1.00 0.00 N ATOM 588 CA TYR A 43 0.045 3.028 7.288 1.00 0.00 C ATOM 589 C TYR A 43 0.452 2.833 5.826 1.00 0.00 C ATOM 590 O TYR A 43 -0.249 3.277 4.919 1.00 0.00 O ATOM 591 CB TYR A 43 -1.392 2.536 7.475 1.00 0.00 C ATOM 592 CG TYR A 43 -1.847 2.485 8.935 1.00 0.00 C ATOM 593 CD1 TYR A 43 -1.272 1.581 9.805 1.00 0.00 C ATOM 594 CD2 TYR A 43 -2.833 3.341 9.380 1.00 0.00 C ATOM 595 CE1 TYR A 43 -1.701 1.533 11.179 1.00 0.00 C ATOM 596 CE2 TYR A 43 -3.262 3.293 10.754 1.00 0.00 C ATOM 597 CZ TYR A 43 -2.675 2.391 11.586 1.00 0.00 C ATOM 598 OH TYR A 43 -3.080 2.345 12.883 1.00 0.00 O ATOM 0 H TYR A 43 -0.078 5.075 6.855 1.00 0.00 H new ATOM 0 HA TYR A 43 0.758 2.482 7.906 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.064 3.189 6.918 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.484 1.540 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.501 0.910 9.456 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.283 4.047 8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.259 0.831 11.871 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.032 3.958 11.116 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.780 3.015 13.031 1.00 0.00 H new ATOM 608 N THR A 44 1.584 2.170 5.644 1.00 0.00 N ATOM 609 CA THR A 44 2.093 1.911 4.308 1.00 0.00 C ATOM 610 C THR A 44 1.502 0.614 3.753 1.00 0.00 C ATOM 611 O THR A 44 1.780 -0.469 4.267 1.00 0.00 O ATOM 612 CB THR A 44 3.622 1.901 4.378 1.00 0.00 C ATOM 613 OG1 THR A 44 3.968 3.264 4.609 1.00 0.00 O ATOM 614 CG2 THR A 44 4.267 1.576 3.029 1.00 0.00 C ATOM 0 H THR A 44 2.163 1.804 6.400 1.00 0.00 H new ATOM 0 HA THR A 44 1.790 2.693 3.612 1.00 0.00 H new ATOM 0 HB THR A 44 3.947 1.172 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.894 3.463 5.566 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.352 1.582 3.134 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.940 0.591 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.969 2.324 2.294 1.00 0.00 H new ATOM 622 N VAL A 45 0.697 0.766 2.712 1.00 0.00 N ATOM 623 CA VAL A 45 0.063 -0.380 2.082 1.00 0.00 C ATOM 624 C VAL A 45 0.556 -0.501 0.639 1.00 0.00 C ATOM 625 O VAL A 45 0.999 0.482 0.046 1.00 0.00 O ATOM 626 CB VAL A 45 -1.459 -0.260 2.186 1.00 0.00 C ATOM 627 CG1 VAL A 45 -2.135 -1.605 1.914 1.00 0.00 C ATOM 628 CG2 VAL A 45 -1.873 0.296 3.550 1.00 0.00 C ATOM 0 H VAL A 45 0.469 1.666 2.289 1.00 0.00 H new ATOM 0 HA VAL A 45 0.339 -1.300 2.598 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.793 0.443 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.216 -1.492 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.879 -1.944 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.792 -2.339 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.959 0.371 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.521 -0.371 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.434 1.284 3.688 1.00 0.00 H new ATOM 638 N PHE A 46 0.463 -1.714 0.115 1.00 0.00 N ATOM 639 CA PHE A 46 0.894 -1.976 -1.248 1.00 0.00 C ATOM 640 C PHE A 46 -0.195 -2.707 -2.036 1.00 0.00 C ATOM 641 O PHE A 46 -0.539 -3.844 -1.718 1.00 0.00 O ATOM 642 CB PHE A 46 2.132 -2.871 -1.161 1.00 0.00 C ATOM 643 CG PHE A 46 3.341 -2.198 -0.509 1.00 0.00 C ATOM 644 CD1 PHE A 46 4.187 -1.443 -1.261 1.00 0.00 C ATOM 645 CD2 PHE A 46 3.571 -2.354 0.822 1.00 0.00 C ATOM 646 CE1 PHE A 46 5.310 -0.818 -0.655 1.00 0.00 C ATOM 647 CE2 PHE A 46 4.693 -1.730 1.428 1.00 0.00 C ATOM 648 CZ PHE A 46 5.539 -0.975 0.676 1.00 0.00 C ATOM 0 H PHE A 46 0.095 -2.527 0.610 1.00 0.00 H new ATOM 0 HA PHE A 46 1.106 -1.037 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.880 -3.768 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.406 -3.193 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.005 -1.319 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.899 -2.953 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.982 -0.218 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.875 -1.855 2.485 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.393 -0.500 1.137 1.00 0.00 H new ATOM 658 N ALA A 47 -0.706 -2.024 -3.050 1.00 0.00 N ATOM 659 CA ALA A 47 -1.748 -2.594 -3.886 1.00 0.00 C ATOM 660 C ALA A 47 -1.155 -2.978 -5.243 1.00 0.00 C ATOM 661 O ALA A 47 -0.686 -2.117 -5.986 1.00 0.00 O ATOM 662 CB ALA A 47 -2.902 -1.597 -4.016 1.00 0.00 C ATOM 0 H ALA A 47 -0.418 -1.081 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.149 -3.500 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.684 -2.025 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.308 -1.380 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.537 -0.675 -4.469 1.00 0.00 H new ATOM 668 N PRO A 48 -1.195 -4.306 -5.533 1.00 0.00 N ATOM 669 CA PRO A 48 -0.667 -4.815 -6.788 1.00 0.00 C ATOM 670 C PRO A 48 -1.611 -4.497 -7.949 1.00 0.00 C ATOM 671 O PRO A 48 -2.688 -3.940 -7.744 1.00 0.00 O ATOM 672 CB PRO A 48 -0.485 -6.307 -6.562 1.00 0.00 C ATOM 673 CG PRO A 48 -1.347 -6.654 -5.359 1.00 0.00 C ATOM 674 CD PRO A 48 -1.743 -5.355 -4.678 1.00 0.00 C ATOM 0 HA PRO A 48 0.279 -4.350 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.792 -6.875 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.561 -6.549 -6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.233 -7.207 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.798 -7.295 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.826 -5.268 -4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.335 -5.297 -3.669 1.00 0.00 H new ATOM 682 N THR A 49 -1.172 -4.864 -9.144 1.00 0.00 N ATOM 683 CA THR A 49 -1.964 -4.625 -10.338 1.00 0.00 C ATOM 684 C THR A 49 -3.032 -5.709 -10.496 1.00 0.00 C ATOM 685 O THR A 49 -3.088 -6.649 -9.705 1.00 0.00 O ATOM 686 CB THR A 49 -1.008 -4.537 -11.530 1.00 0.00 C ATOM 687 OG1 THR A 49 -0.044 -5.555 -11.278 1.00 0.00 O ATOM 688 CG2 THR A 49 -0.192 -3.243 -11.531 1.00 0.00 C ATOM 0 H THR A 49 -0.278 -5.325 -9.311 1.00 0.00 H new ATOM 0 HA THR A 49 -2.509 -3.683 -10.269 1.00 0.00 H new ATOM 0 HB THR A 49 -1.576 -4.609 -12.457 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.614 -5.569 -12.004 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.470 -3.231 -12.397 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.866 -2.388 -11.578 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.403 -3.187 -10.619 1.00 0.00 H new ATOM 696 N ASN A 50 -3.853 -5.541 -11.522 1.00 0.00 N ATOM 697 CA ASN A 50 -4.916 -6.494 -11.793 1.00 0.00 C ATOM 698 C ASN A 50 -4.305 -7.809 -12.281 1.00 0.00 C ATOM 699 O ASN A 50 -4.742 -8.887 -11.880 1.00 0.00 O ATOM 700 CB ASN A 50 -5.855 -5.975 -12.884 1.00 0.00 C ATOM 701 CG ASN A 50 -7.157 -6.778 -12.914 1.00 0.00 C ATOM 702 OD1 ASN A 50 -7.178 -7.966 -13.193 1.00 0.00 O ATOM 703 ND2 ASN A 50 -8.239 -6.066 -12.613 1.00 0.00 N ATOM 0 H ASN A 50 -3.804 -4.759 -12.176 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.480 -6.642 -10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.077 -4.922 -12.708 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.362 -6.039 -13.854 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.157 -6.511 -12.606 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.151 -5.075 -12.389 1.00 0.00 H new ATOM 710 N GLU A 51 -3.304 -7.677 -13.138 1.00 0.00 N ATOM 711 CA GLU A 51 -2.629 -8.842 -13.685 1.00 0.00 C ATOM 712 C GLU A 51 -1.873 -9.583 -12.581 1.00 0.00 C ATOM 713 O GLU A 51 -1.441 -10.719 -12.774 1.00 0.00 O ATOM 714 CB GLU A 51 -1.687 -8.445 -14.823 1.00 0.00 C ATOM 715 CG GLU A 51 -2.462 -8.220 -16.123 1.00 0.00 C ATOM 716 CD GLU A 51 -1.538 -7.708 -17.231 1.00 0.00 C ATOM 717 OE1 GLU A 51 -1.125 -6.533 -17.127 1.00 0.00 O ATOM 718 OE2 GLU A 51 -1.267 -8.503 -18.156 1.00 0.00 O ATOM 0 H GLU A 51 -2.944 -6.781 -13.467 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.381 -9.514 -14.098 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.149 -7.536 -14.554 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.940 -9.225 -14.971 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.930 -9.153 -16.437 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.264 -7.502 -15.953 1.00 0.00 H new ATOM 725 N ALA A 52 -1.736 -8.912 -11.447 1.00 0.00 N ATOM 726 CA ALA A 52 -1.039 -9.493 -10.312 1.00 0.00 C ATOM 727 C ALA A 52 -1.886 -10.623 -9.724 1.00 0.00 C ATOM 728 O ALA A 52 -1.430 -11.761 -9.630 1.00 0.00 O ATOM 729 CB ALA A 52 -0.733 -8.400 -9.287 1.00 0.00 C ATOM 0 H ALA A 52 -2.096 -7.971 -11.290 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.087 -9.922 -10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.210 -8.836 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.105 -7.636 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.665 -7.948 -8.948 1.00 0.00 H new ATOM 735 N PHE A 53 -3.106 -10.270 -9.344 1.00 0.00 N ATOM 736 CA PHE A 53 -4.021 -11.241 -8.768 1.00 0.00 C ATOM 737 C PHE A 53 -4.358 -12.341 -9.776 1.00 0.00 C ATOM 738 O PHE A 53 -4.579 -13.490 -9.395 1.00 0.00 O ATOM 739 CB PHE A 53 -5.302 -10.487 -8.405 1.00 0.00 C ATOM 740 CG PHE A 53 -5.178 -9.618 -7.152 1.00 0.00 C ATOM 741 CD1 PHE A 53 -4.677 -8.357 -7.246 1.00 0.00 C ATOM 742 CD2 PHE A 53 -5.571 -10.105 -5.945 1.00 0.00 C ATOM 743 CE1 PHE A 53 -4.563 -7.550 -6.083 1.00 0.00 C ATOM 744 CE2 PHE A 53 -5.457 -9.298 -4.782 1.00 0.00 C ATOM 745 CZ PHE A 53 -4.955 -8.038 -4.876 1.00 0.00 C ATOM 0 H PHE A 53 -3.482 -9.325 -9.424 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.565 -11.711 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.591 -9.856 -9.245 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.106 -11.208 -8.257 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.366 -7.970 -8.205 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.970 -11.106 -5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.165 -6.549 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.769 -9.685 -3.823 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.868 -7.424 -3.992 1.00 0.00 H new ATOM 755 N ARG A 54 -4.388 -11.951 -11.042 1.00 0.00 N ATOM 756 CA ARG A 54 -4.696 -12.890 -12.107 1.00 0.00 C ATOM 757 C ARG A 54 -3.612 -13.967 -12.195 1.00 0.00 C ATOM 758 O ARG A 54 -3.879 -15.089 -12.623 1.00 0.00 O ATOM 759 CB ARG A 54 -4.806 -12.177 -13.456 1.00 0.00 C ATOM 760 CG ARG A 54 -6.174 -11.509 -13.612 1.00 0.00 C ATOM 761 CD ARG A 54 -6.416 -11.089 -15.063 1.00 0.00 C ATOM 762 NE ARG A 54 -7.766 -11.515 -15.495 1.00 0.00 N ATOM 763 CZ ARG A 54 -8.070 -12.758 -15.892 1.00 0.00 C ATOM 764 NH1 ARG A 54 -7.122 -13.705 -15.915 1.00 0.00 N ATOM 765 NH2 ARG A 54 -9.322 -13.054 -16.267 1.00 0.00 N ATOM 0 H ARG A 54 -4.204 -10.997 -11.354 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.655 -13.352 -11.874 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.019 -11.427 -13.541 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.652 -12.893 -14.264 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.957 -12.197 -13.293 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.233 -10.636 -12.962 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.319 -10.007 -15.158 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.661 -11.535 -15.710 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.511 -10.819 -15.490 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.169 -13.480 -15.630 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.354 -14.651 -16.217 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.043 -12.333 -16.250 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.554 -14.000 -16.569 1.00 0.00 H new ATOM 779 N ALA A 55 -2.411 -13.587 -11.783 1.00 0.00 N ATOM 780 CA ALA A 55 -1.286 -14.506 -11.809 1.00 0.00 C ATOM 781 C ALA A 55 -1.488 -15.584 -10.743 1.00 0.00 C ATOM 782 O ALA A 55 -1.188 -16.755 -10.975 1.00 0.00 O ATOM 783 CB ALA A 55 0.015 -13.726 -11.610 1.00 0.00 C ATOM 0 H ALA A 55 -2.193 -12.655 -11.429 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.222 -15.006 -12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.859 -14.415 -11.629 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.126 -12.994 -12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.012 -13.213 -10.649 1.00 0.00 H new ATOM 789 N LEU A 56 -1.995 -15.152 -9.598 1.00 0.00 N ATOM 790 CA LEU A 56 -2.241 -16.066 -8.496 1.00 0.00 C ATOM 791 C LEU A 56 -2.995 -17.292 -9.014 1.00 0.00 C ATOM 792 O LEU A 56 -3.892 -17.168 -9.846 1.00 0.00 O ATOM 793 CB LEU A 56 -2.954 -15.345 -7.350 1.00 0.00 C ATOM 794 CG LEU A 56 -2.069 -14.486 -6.444 1.00 0.00 C ATOM 795 CD1 LEU A 56 -2.818 -14.079 -5.173 1.00 0.00 C ATOM 796 CD2 LEU A 56 -0.752 -15.198 -6.130 1.00 0.00 C ATOM 0 H LEU A 56 -2.242 -14.181 -9.410 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.299 -16.423 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.731 -14.709 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.455 -16.091 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.820 -13.569 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.167 -13.469 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.705 -13.505 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.116 -14.973 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.142 -14.566 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.960 -16.141 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.215 -15.395 -7.058 1.00 0.00 H new ATOM 808 N PRO A 57 -2.591 -18.480 -8.488 1.00 0.00 N ATOM 809 CA PRO A 57 -3.219 -19.728 -8.889 1.00 0.00 C ATOM 810 C PRO A 57 -4.602 -19.875 -8.251 1.00 0.00 C ATOM 811 O PRO A 57 -4.952 -19.128 -7.340 1.00 0.00 O ATOM 812 CB PRO A 57 -2.247 -20.813 -8.456 1.00 0.00 C ATOM 813 CG PRO A 57 -1.337 -20.171 -7.422 1.00 0.00 C ATOM 814 CD PRO A 57 -1.532 -18.665 -7.501 1.00 0.00 C ATOM 0 HA PRO A 57 -3.403 -19.781 -9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.778 -21.666 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.673 -21.184 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.577 -20.535 -6.423 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.296 -20.432 -7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.816 -18.251 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.614 -18.162 -7.806 1.00 0.00 H new ATOM 822 N PRO A 58 -5.370 -20.871 -8.770 1.00 0.00 N ATOM 823 CA PRO A 58 -6.707 -21.126 -8.261 1.00 0.00 C ATOM 824 C PRO A 58 -6.652 -21.828 -6.903 1.00 0.00 C ATOM 825 O PRO A 58 -7.688 -22.098 -6.297 1.00 0.00 O ATOM 826 CB PRO A 58 -7.383 -21.962 -9.335 1.00 0.00 C ATOM 827 CG PRO A 58 -6.261 -22.534 -10.187 1.00 0.00 C ATOM 828 CD PRO A 58 -4.988 -21.776 -9.850 1.00 0.00 C ATOM 0 HA PRO A 58 -7.268 -20.210 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.981 -22.758 -8.891 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.058 -21.353 -9.936 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.135 -23.598 -9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.496 -22.433 -11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.195 -22.454 -9.536 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.614 -21.226 -10.714 1.00 0.00 H new ATOM 836 N ARG A 59 -5.433 -22.105 -6.465 1.00 0.00 N ATOM 837 CA ARG A 59 -5.229 -22.771 -5.189 1.00 0.00 C ATOM 838 C ARG A 59 -5.019 -21.739 -4.079 1.00 0.00 C ATOM 839 O ARG A 59 -5.518 -21.908 -2.967 1.00 0.00 O ATOM 840 CB ARG A 59 -4.019 -23.706 -5.243 1.00 0.00 C ATOM 841 CG ARG A 59 -4.225 -24.921 -4.337 1.00 0.00 C ATOM 842 CD ARG A 59 -3.251 -24.897 -3.157 1.00 0.00 C ATOM 843 NE ARG A 59 -3.710 -25.827 -2.102 1.00 0.00 N ATOM 844 CZ ARG A 59 -3.239 -25.833 -0.848 1.00 0.00 C ATOM 845 NH1 ARG A 59 -2.292 -24.957 -0.484 1.00 0.00 N ATOM 846 NH2 ARG A 59 -3.715 -26.713 0.043 1.00 0.00 N ATOM 0 H ARG A 59 -4.576 -21.881 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.120 -23.361 -4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.855 -24.036 -6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.124 -23.166 -4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.250 -24.933 -3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.083 -25.836 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.253 -25.179 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.178 -23.886 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.431 -26.507 -2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.930 -24.286 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.933 -24.961 0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.436 -27.379 -0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.356 -26.717 0.998 1.00 0.00 H new ATOM 860 N GLU A 60 -4.281 -20.693 -4.419 1.00 0.00 N ATOM 861 CA GLU A 60 -3.999 -19.634 -3.465 1.00 0.00 C ATOM 862 C GLU A 60 -5.034 -18.515 -3.593 1.00 0.00 C ATOM 863 O GLU A 60 -5.111 -17.635 -2.737 1.00 0.00 O ATOM 864 CB GLU A 60 -2.580 -19.092 -3.651 1.00 0.00 C ATOM 865 CG GLU A 60 -2.512 -17.604 -3.302 1.00 0.00 C ATOM 866 CD GLU A 60 -1.066 -17.104 -3.315 1.00 0.00 C ATOM 867 OE1 GLU A 60 -0.188 -17.913 -3.685 1.00 0.00 O ATOM 868 OE2 GLU A 60 -0.870 -15.923 -2.952 1.00 0.00 O ATOM 0 H GLU A 60 -3.870 -20.556 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.065 -20.050 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.888 -19.649 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.262 -19.242 -4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.105 -17.032 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.950 -17.437 -2.318 1.00 0.00 H new ATOM 875 N ARG A 61 -5.806 -18.586 -4.668 1.00 0.00 N ATOM 876 CA ARG A 61 -6.833 -17.590 -4.919 1.00 0.00 C ATOM 877 C ARG A 61 -7.930 -17.680 -3.856 1.00 0.00 C ATOM 878 O ARG A 61 -7.997 -16.845 -2.955 1.00 0.00 O ATOM 879 CB ARG A 61 -7.457 -17.778 -6.303 1.00 0.00 C ATOM 880 CG ARG A 61 -7.284 -16.521 -7.158 1.00 0.00 C ATOM 881 CD ARG A 61 -8.198 -16.562 -8.384 1.00 0.00 C ATOM 882 NE ARG A 61 -8.056 -15.312 -9.164 1.00 0.00 N ATOM 883 CZ ARG A 61 -8.989 -14.839 -10.002 1.00 0.00 C ATOM 884 NH1 ARG A 61 -10.136 -15.510 -10.174 1.00 0.00 N ATOM 885 NH2 ARG A 61 -8.774 -13.696 -10.667 1.00 0.00 N ATOM 0 H ARG A 61 -5.740 -19.318 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.360 -16.609 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.993 -18.629 -6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.517 -18.009 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.509 -15.637 -6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.245 -16.434 -7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.946 -17.420 -9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.234 -16.689 -8.071 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.194 -14.777 -9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.299 -16.380 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.846 -15.151 -10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.900 -13.186 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.484 -13.336 -11.305 1.00 0.00 H new ATOM 899 N SER A 62 -8.764 -18.700 -3.997 1.00 0.00 N ATOM 900 CA SER A 62 -9.854 -18.910 -3.060 1.00 0.00 C ATOM 901 C SER A 62 -9.313 -18.968 -1.630 1.00 0.00 C ATOM 902 O SER A 62 -10.058 -18.772 -0.672 1.00 0.00 O ATOM 903 CB SER A 62 -10.623 -20.192 -3.388 1.00 0.00 C ATOM 904 OG SER A 62 -11.967 -20.144 -2.915 1.00 0.00 O ATOM 0 H SER A 62 -8.707 -19.390 -4.746 1.00 0.00 H new ATOM 0 HA SER A 62 -10.544 -18.071 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.624 -20.349 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.112 -21.045 -2.942 1.00 0.00 H new ATOM 0 HG SER A 62 -12.425 -20.979 -3.145 1.00 0.00 H new ATOM 910 N ARG A 63 -8.019 -19.238 -1.532 1.00 0.00 N ATOM 911 CA ARG A 63 -7.369 -19.324 -0.236 1.00 0.00 C ATOM 912 C ARG A 63 -7.563 -18.021 0.543 1.00 0.00 C ATOM 913 O ARG A 63 -8.062 -18.034 1.668 1.00 0.00 O ATOM 914 CB ARG A 63 -5.872 -19.600 -0.387 1.00 0.00 C ATOM 915 CG ARG A 63 -5.561 -21.080 -0.152 1.00 0.00 C ATOM 916 CD ARG A 63 -5.662 -21.431 1.334 1.00 0.00 C ATOM 917 NE ARG A 63 -6.282 -22.765 1.498 1.00 0.00 N ATOM 918 CZ ARG A 63 -6.651 -23.282 2.678 1.00 0.00 C ATOM 919 NH1 ARG A 63 -6.464 -22.581 3.804 1.00 0.00 N ATOM 920 NH2 ARG A 63 -7.206 -24.500 2.731 1.00 0.00 N ATOM 0 H ARG A 63 -7.404 -19.400 -2.329 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.826 -20.150 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.544 -19.310 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.313 -18.990 0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.255 -21.697 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.559 -21.307 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.670 -21.424 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.255 -20.679 1.854 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.438 -23.326 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.041 -21.654 3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.745 -22.974 4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.348 -25.034 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.487 -24.894 3.629 1.00 0.00 H new ATOM 934 N LEU A 64 -7.160 -16.927 -0.086 1.00 0.00 N ATOM 935 CA LEU A 64 -7.283 -15.619 0.534 1.00 0.00 C ATOM 936 C LEU A 64 -8.694 -15.077 0.296 1.00 0.00 C ATOM 937 O LEU A 64 -9.332 -14.569 1.217 1.00 0.00 O ATOM 938 CB LEU A 64 -6.175 -14.685 0.041 1.00 0.00 C ATOM 939 CG LEU A 64 -4.742 -15.185 0.234 1.00 0.00 C ATOM 940 CD1 LEU A 64 -3.736 -14.220 -0.396 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.445 -15.438 1.714 1.00 0.00 C ATOM 0 H LEU A 64 -6.748 -16.920 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.147 -15.695 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.333 -14.495 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.278 -13.729 0.554 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.640 -16.139 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.725 -14.598 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.935 -14.133 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.830 -13.240 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.420 -15.793 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.570 -14.511 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.133 -16.191 2.100 1.00 0.00 H new ATOM 953 N LEU A 65 -9.141 -15.206 -0.945 1.00 0.00 N ATOM 954 CA LEU A 65 -10.465 -14.736 -1.316 1.00 0.00 C ATOM 955 C LEU A 65 -11.517 -15.495 -0.505 1.00 0.00 C ATOM 956 O LEU A 65 -12.665 -15.063 -0.411 1.00 0.00 O ATOM 957 CB LEU A 65 -10.665 -14.836 -2.830 1.00 0.00 C ATOM 958 CG LEU A 65 -9.682 -14.040 -3.690 1.00 0.00 C ATOM 959 CD1 LEU A 65 -9.922 -14.299 -5.179 1.00 0.00 C ATOM 960 CD2 LEU A 65 -9.740 -12.549 -3.351 1.00 0.00 C ATOM 0 H LEU A 65 -8.610 -15.629 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.576 -13.679 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.600 -15.886 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.676 -14.503 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.673 -14.383 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.210 -13.721 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.790 -15.360 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.937 -14.000 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.032 -12.006 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.747 -12.173 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.483 -12.404 -2.302 1.00 0.00 H new ATOM 972 N GLY A 66 -11.088 -16.614 0.060 1.00 0.00 N ATOM 973 CA GLY A 66 -11.978 -17.438 0.860 1.00 0.00 C ATOM 974 C GLY A 66 -11.774 -17.175 2.353 1.00 0.00 C ATOM 975 O GLY A 66 -12.534 -16.426 2.965 1.00 0.00 O ATOM 0 H GLY A 66 -10.135 -16.969 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.013 -17.231 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.797 -18.491 0.644 1.00 0.00 H new ATOM 979 N ASP A 67 -10.745 -17.807 2.898 1.00 0.00 N ATOM 980 CA ASP A 67 -10.431 -17.651 4.308 1.00 0.00 C ATOM 981 C ASP A 67 -10.100 -16.185 4.593 1.00 0.00 C ATOM 982 O ASP A 67 -9.383 -15.546 3.824 1.00 0.00 O ATOM 983 CB ASP A 67 -9.217 -18.495 4.699 1.00 0.00 C ATOM 984 CG ASP A 67 -9.355 -19.254 6.021 1.00 0.00 C ATOM 985 OD1 ASP A 67 -9.841 -20.404 5.966 1.00 0.00 O ATOM 986 OD2 ASP A 67 -8.972 -18.666 7.055 1.00 0.00 O ATOM 0 H ASP A 67 -10.117 -18.429 2.388 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.297 -17.977 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.022 -19.214 3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.345 -17.844 4.761 1.00 0.00 H new ATOM 991 N ALA A 68 -10.637 -15.694 5.700 1.00 0.00 N ATOM 992 CA ALA A 68 -10.407 -14.315 6.096 1.00 0.00 C ATOM 993 C ALA A 68 -9.062 -14.214 6.817 1.00 0.00 C ATOM 994 O ALA A 68 -8.251 -13.342 6.507 1.00 0.00 O ATOM 995 CB ALA A 68 -11.571 -13.832 6.963 1.00 0.00 C ATOM 0 H ALA A 68 -11.231 -16.227 6.335 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.362 -13.667 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -11.399 -12.798 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.499 -13.897 6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.646 -14.457 7.853 1.00 0.00 H new ATOM 1001 N LYS A 69 -8.865 -15.118 7.766 1.00 0.00 N ATOM 1002 CA LYS A 69 -7.632 -15.141 8.533 1.00 0.00 C ATOM 1003 C LYS A 69 -6.447 -14.906 7.594 1.00 0.00 C ATOM 1004 O LYS A 69 -5.802 -13.860 7.652 1.00 0.00 O ATOM 1005 CB LYS A 69 -7.528 -16.436 9.342 1.00 0.00 C ATOM 1006 CG LYS A 69 -8.018 -16.227 10.777 1.00 0.00 C ATOM 1007 CD LYS A 69 -6.878 -16.417 11.779 1.00 0.00 C ATOM 1008 CE LYS A 69 -6.936 -17.806 12.418 1.00 0.00 C ATOM 1009 NZ LYS A 69 -6.897 -17.699 13.894 1.00 0.00 N ATOM 0 H LYS A 69 -9.539 -15.840 8.021 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.624 -14.333 9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.118 -17.217 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.494 -16.780 9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.435 -15.225 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.821 -16.930 10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.920 -16.284 11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.939 -15.653 12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.847 -18.318 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.098 -18.409 12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.937 -18.650 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.016 -17.230 14.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.711 -17.141 14.223 1.00 0.00 H new ATOM 1023 N GLU A 70 -6.196 -15.897 6.751 1.00 0.00 N ATOM 1024 CA GLU A 70 -5.101 -15.811 5.800 1.00 0.00 C ATOM 1025 C GLU A 70 -5.166 -14.490 5.032 1.00 0.00 C ATOM 1026 O GLU A 70 -4.134 -13.925 4.672 1.00 0.00 O ATOM 1027 CB GLU A 70 -5.112 -17.004 4.842 1.00 0.00 C ATOM 1028 CG GLU A 70 -4.718 -18.293 5.566 1.00 0.00 C ATOM 1029 CD GLU A 70 -3.463 -18.910 4.943 1.00 0.00 C ATOM 1030 OE1 GLU A 70 -3.366 -18.862 3.698 1.00 0.00 O ATOM 1031 OE2 GLU A 70 -2.631 -19.415 5.727 1.00 0.00 O ATOM 0 H GLU A 70 -6.732 -16.764 6.707 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.162 -15.840 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.105 -17.116 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.422 -16.820 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.539 -18.082 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.540 -19.007 5.519 1.00 0.00 H new ATOM 1038 N LEU A 71 -6.389 -14.035 4.804 1.00 0.00 N ATOM 1039 CA LEU A 71 -6.603 -12.790 4.085 1.00 0.00 C ATOM 1040 C LEU A 71 -5.898 -11.652 4.825 1.00 0.00 C ATOM 1041 O LEU A 71 -4.896 -11.122 4.346 1.00 0.00 O ATOM 1042 CB LEU A 71 -8.098 -12.548 3.866 1.00 0.00 C ATOM 1043 CG LEU A 71 -8.489 -11.955 2.511 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -10.002 -11.751 2.418 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -7.719 -10.662 2.235 1.00 0.00 C ATOM 0 H LEU A 71 -7.242 -14.506 5.104 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.163 -12.844 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.621 -13.496 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.457 -11.881 4.650 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.211 -12.667 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.253 -11.328 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.506 -12.710 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.326 -11.069 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.016 -10.262 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.943 -9.932 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.649 -10.870 2.229 1.00 0.00 H new ATOM 1057 N ALA A 72 -6.448 -11.309 5.980 1.00 0.00 N ATOM 1058 CA ALA A 72 -5.884 -10.243 6.791 1.00 0.00 C ATOM 1059 C ALA A 72 -4.393 -10.508 7.009 1.00 0.00 C ATOM 1060 O ALA A 72 -3.588 -9.578 7.019 1.00 0.00 O ATOM 1061 CB ALA A 72 -6.657 -10.139 8.107 1.00 0.00 C ATOM 0 H ALA A 72 -7.279 -11.750 6.374 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.977 -9.284 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.234 -9.340 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.704 -9.920 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.584 -11.083 8.647 1.00 0.00 H new ATOM 1067 N ASN A 73 -4.070 -11.782 7.178 1.00 0.00 N ATOM 1068 CA ASN A 73 -2.690 -12.181 7.396 1.00 0.00 C ATOM 1069 C ASN A 73 -1.806 -11.552 6.317 1.00 0.00 C ATOM 1070 O ASN A 73 -0.753 -10.993 6.621 1.00 0.00 O ATOM 1071 CB ASN A 73 -2.536 -13.701 7.307 1.00 0.00 C ATOM 1072 CG ASN A 73 -1.450 -14.198 8.263 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -0.412 -13.581 8.440 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -1.744 -15.346 8.866 1.00 0.00 N ATOM 0 H ASN A 73 -4.740 -12.551 7.168 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.395 -11.846 8.390 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.485 -14.181 7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.284 -13.986 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.082 -15.762 9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.631 -15.811 8.673 1.00 0.00 H new ATOM 1081 N ILE A 74 -2.266 -11.665 5.080 1.00 0.00 N ATOM 1082 CA ILE A 74 -1.530 -11.115 3.955 1.00 0.00 C ATOM 1083 C ILE A 74 -1.586 -9.587 4.012 1.00 0.00 C ATOM 1084 O ILE A 74 -0.551 -8.922 3.985 1.00 0.00 O ATOM 1085 CB ILE A 74 -2.046 -11.700 2.639 1.00 0.00 C ATOM 1086 CG1 ILE A 74 -1.770 -13.203 2.562 1.00 0.00 C ATOM 1087 CG2 ILE A 74 -1.465 -10.949 1.439 1.00 0.00 C ATOM 1088 CD1 ILE A 74 -0.268 -13.482 2.482 1.00 0.00 C ATOM 0 H ILE A 74 -3.140 -12.130 4.832 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.479 -11.399 4.013 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.128 -11.568 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.189 -13.699 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.268 -13.623 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.848 -11.385 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.755 -9.899 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.378 -11.027 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.100 -14.558 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.144 -13.006 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.224 -13.082 3.368 1.00 0.00 H new ATOM 1100 N LEU A 75 -2.805 -9.074 4.090 1.00 0.00 N ATOM 1101 CA LEU A 75 -3.010 -7.637 4.151 1.00 0.00 C ATOM 1102 C LEU A 75 -2.092 -7.040 5.220 1.00 0.00 C ATOM 1103 O LEU A 75 -1.400 -6.055 4.969 1.00 0.00 O ATOM 1104 CB LEU A 75 -4.491 -7.316 4.364 1.00 0.00 C ATOM 1105 CG LEU A 75 -5.469 -7.993 3.401 1.00 0.00 C ATOM 1106 CD1 LEU A 75 -6.789 -7.223 3.329 1.00 0.00 C ATOM 1107 CD2 LEU A 75 -4.838 -8.179 2.020 1.00 0.00 C ATOM 0 H LEU A 75 -3.661 -9.628 4.112 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.740 -7.173 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.761 -7.598 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.623 -6.237 4.286 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.697 -8.986 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.466 -7.725 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.243 -7.186 4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.600 -6.208 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.554 -8.662 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.563 -7.207 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.947 -8.801 2.108 1.00 0.00 H new ATOM 1119 N LYS A 76 -2.117 -7.663 6.390 1.00 0.00 N ATOM 1120 CA LYS A 76 -1.295 -7.206 7.498 1.00 0.00 C ATOM 1121 C LYS A 76 0.153 -7.058 7.026 1.00 0.00 C ATOM 1122 O LYS A 76 0.807 -6.059 7.322 1.00 0.00 O ATOM 1123 CB LYS A 76 -1.458 -8.133 8.704 1.00 0.00 C ATOM 1124 CG LYS A 76 -2.679 -7.738 9.537 1.00 0.00 C ATOM 1125 CD LYS A 76 -3.150 -8.906 10.407 1.00 0.00 C ATOM 1126 CE LYS A 76 -4.554 -8.648 10.957 1.00 0.00 C ATOM 1127 NZ LYS A 76 -4.547 -8.695 12.437 1.00 0.00 N ATOM 0 H LYS A 76 -2.693 -8.480 6.594 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.622 -6.223 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.563 -9.163 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.562 -8.091 9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.432 -6.885 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.487 -7.422 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.148 -9.825 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.454 -9.053 11.232 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.910 -7.675 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.247 -9.394 10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.507 -8.518 12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.227 -9.633 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.901 -7.967 12.804 1.00 0.00 H new ATOM 1141 N TYR A 77 0.611 -8.069 6.302 1.00 0.00 N ATOM 1142 CA TYR A 77 1.970 -8.064 5.787 1.00 0.00 C ATOM 1143 C TYR A 77 2.136 -7.016 4.685 1.00 0.00 C ATOM 1144 O TYR A 77 3.254 -6.615 4.367 1.00 0.00 O ATOM 1145 CB TYR A 77 2.200 -9.454 5.191 1.00 0.00 C ATOM 1146 CG TYR A 77 3.618 -9.678 4.662 1.00 0.00 C ATOM 1147 CD1 TYR A 77 4.621 -10.072 5.523 1.00 0.00 C ATOM 1148 CD2 TYR A 77 3.893 -9.486 3.323 1.00 0.00 C ATOM 1149 CE1 TYR A 77 5.956 -10.283 5.025 1.00 0.00 C ATOM 1150 CE2 TYR A 77 5.228 -9.696 2.825 1.00 0.00 C ATOM 1151 CZ TYR A 77 6.193 -10.085 3.700 1.00 0.00 C ATOM 1152 OH TYR A 77 7.454 -10.283 3.230 1.00 0.00 O ATOM 0 H TYR A 77 0.066 -8.896 6.060 1.00 0.00 H new ATOM 0 HA TYR A 77 2.679 -7.826 6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.984 -10.204 5.952 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.491 -9.611 4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.405 -10.222 6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.107 -9.178 2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.751 -10.591 5.688 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.457 -9.548 1.780 1.00 0.00 H new ATOM 0 HH TYR A 77 7.447 -11.006 2.568 1.00 0.00 H new ATOM 1162 N HIS A 78 1.005 -6.602 4.131 1.00 0.00 N ATOM 1163 CA HIS A 78 1.010 -5.609 3.071 1.00 0.00 C ATOM 1164 C HIS A 78 0.935 -4.207 3.681 1.00 0.00 C ATOM 1165 O HIS A 78 1.289 -3.224 3.032 1.00 0.00 O ATOM 1166 CB HIS A 78 -0.111 -5.880 2.067 1.00 0.00 C ATOM 1167 CG HIS A 78 0.288 -6.791 0.931 1.00 0.00 C ATOM 1168 ND1 HIS A 78 0.448 -8.157 1.087 1.00 0.00 N ATOM 1169 CD2 HIS A 78 0.557 -6.519 -0.378 1.00 0.00 C ATOM 1170 CE1 HIS A 78 0.798 -8.673 -0.082 1.00 0.00 C ATOM 1171 NE2 HIS A 78 0.866 -7.656 -0.988 1.00 0.00 N ATOM 0 H HIS A 78 0.079 -6.937 4.397 1.00 0.00 H new ATOM 0 HA HIS A 78 1.943 -5.674 2.511 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -0.957 -6.322 2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -0.453 -4.931 1.655 1.00 0.00 H new ATOM 0 HD1 HIS A 78 0.318 -8.678 1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 78 0.524 -5.543 -0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.995 -9.716 -0.282 1.00 0.00 H new ATOM 1179 N ILE A 79 0.471 -4.161 4.921 1.00 0.00 N ATOM 1180 CA ILE A 79 0.344 -2.897 5.626 1.00 0.00 C ATOM 1181 C ILE A 79 1.510 -2.744 6.605 1.00 0.00 C ATOM 1182 O ILE A 79 1.965 -3.725 7.191 1.00 0.00 O ATOM 1183 CB ILE A 79 -1.032 -2.787 6.287 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -2.149 -2.862 5.243 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -1.130 -1.522 7.141 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -3.335 -3.674 5.768 1.00 0.00 C ATOM 0 H ILE A 79 0.178 -4.979 5.456 1.00 0.00 H new ATOM 0 HA ILE A 79 0.403 -2.064 4.926 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.159 -3.638 6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.478 -1.856 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.768 -3.317 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.117 -1.468 7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.369 -1.550 7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.973 -0.645 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.115 -3.712 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.007 -4.687 6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.729 -3.202 6.668 1.00 0.00 H new ATOM 1198 N GLY A 80 1.959 -1.506 6.751 1.00 0.00 N ATOM 1199 CA GLY A 80 3.064 -1.212 7.649 1.00 0.00 C ATOM 1200 C GLY A 80 2.600 -0.349 8.824 1.00 0.00 C ATOM 1201 O GLY A 80 1.451 0.087 8.863 1.00 0.00 O ATOM 0 H GLY A 80 1.578 -0.695 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.491 -2.143 8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.854 -0.696 7.103 1.00 0.00 H new ATOM 1205 N ASP A 81 3.519 -0.128 9.752 1.00 0.00 N ATOM 1206 CA ASP A 81 3.219 0.675 10.925 1.00 0.00 C ATOM 1207 C ASP A 81 3.983 1.998 10.841 1.00 0.00 C ATOM 1208 O ASP A 81 4.488 2.493 11.848 1.00 0.00 O ATOM 1209 CB ASP A 81 3.651 -0.039 12.208 1.00 0.00 C ATOM 1210 CG ASP A 81 3.467 0.770 13.493 1.00 0.00 C ATOM 1211 OD1 ASP A 81 2.389 1.389 13.624 1.00 0.00 O ATOM 1212 OD2 ASP A 81 4.408 0.753 14.314 1.00 0.00 O ATOM 0 H ASP A 81 4.472 -0.491 9.716 1.00 0.00 H new ATOM 0 HA ASP A 81 2.142 0.843 10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.086 -0.967 12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.702 -0.313 12.117 1.00 0.00 H new ATOM 1217 N GLU A 82 4.045 2.533 9.631 1.00 0.00 N ATOM 1218 CA GLU A 82 4.739 3.789 9.402 1.00 0.00 C ATOM 1219 C GLU A 82 4.822 4.084 7.903 1.00 0.00 C ATOM 1220 O GLU A 82 4.604 3.198 7.079 1.00 0.00 O ATOM 1221 CB GLU A 82 6.132 3.769 10.035 1.00 0.00 C ATOM 1222 CG GLU A 82 6.850 2.451 9.736 1.00 0.00 C ATOM 1223 CD GLU A 82 7.784 2.064 10.885 1.00 0.00 C ATOM 1224 OE1 GLU A 82 8.876 2.668 10.958 1.00 0.00 O ATOM 1225 OE2 GLU A 82 7.385 1.171 11.664 1.00 0.00 O ATOM 0 H GLU A 82 3.626 2.120 8.798 1.00 0.00 H new ATOM 0 HA GLU A 82 4.171 4.588 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.721 4.603 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.048 3.905 11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.116 1.661 9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.422 2.545 8.813 1.00 0.00 H new ATOM 1232 N ILE A 83 5.137 5.334 7.595 1.00 0.00 N ATOM 1233 CA ILE A 83 5.251 5.758 6.210 1.00 0.00 C ATOM 1234 C ILE A 83 6.690 5.547 5.734 1.00 0.00 C ATOM 1235 O ILE A 83 7.637 5.827 6.467 1.00 0.00 O ATOM 1236 CB ILE A 83 4.753 7.195 6.046 1.00 0.00 C ATOM 1237 CG1 ILE A 83 3.315 7.337 6.548 1.00 0.00 C ATOM 1238 CG2 ILE A 83 4.904 7.666 4.599 1.00 0.00 C ATOM 1239 CD1 ILE A 83 2.528 6.043 6.332 1.00 0.00 C ATOM 0 H ILE A 83 5.317 6.067 8.281 1.00 0.00 H new ATOM 0 HA ILE A 83 4.611 5.149 5.571 1.00 0.00 H new ATOM 0 HB ILE A 83 5.375 7.844 6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.320 7.591 7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.823 8.157 6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.543 8.690 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.954 7.626 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.323 7.018 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.509 6.171 6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.505 5.805 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.009 5.230 6.876 1.00 0.00 H new ATOM 1251 N LEU A 84 6.809 5.056 4.509 1.00 0.00 N ATOM 1252 CA LEU A 84 8.116 4.805 3.927 1.00 0.00 C ATOM 1253 C LEU A 84 8.064 5.094 2.425 1.00 0.00 C ATOM 1254 O LEU A 84 7.295 4.471 1.696 1.00 0.00 O ATOM 1255 CB LEU A 84 8.590 3.390 4.265 1.00 0.00 C ATOM 1256 CG LEU A 84 10.105 3.172 4.260 1.00 0.00 C ATOM 1257 CD1 LEU A 84 10.479 1.910 5.040 1.00 0.00 C ATOM 1258 CD2 LEU A 84 10.650 3.144 2.830 1.00 0.00 C ATOM 0 H LEU A 84 6.021 4.825 3.904 1.00 0.00 H new ATOM 0 HA LEU A 84 8.860 5.476 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.208 3.126 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.141 2.698 3.553 1.00 0.00 H new ATOM 0 HG LEU A 84 10.574 4.015 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.561 1.778 5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.143 2.007 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.000 1.044 4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.728 2.988 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.178 2.332 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.432 4.092 2.339 1.00 0.00 H new ATOM 1270 N VAL A 85 8.893 6.040 2.009 1.00 0.00 N ATOM 1271 CA VAL A 85 8.952 6.420 0.607 1.00 0.00 C ATOM 1272 C VAL A 85 10.413 6.609 0.195 1.00 0.00 C ATOM 1273 O VAL A 85 11.319 6.423 1.006 1.00 0.00 O ATOM 1274 CB VAL A 85 8.097 7.666 0.366 1.00 0.00 C ATOM 1275 CG1 VAL A 85 6.612 7.359 0.569 1.00 0.00 C ATOM 1276 CG2 VAL A 85 8.546 8.821 1.263 1.00 0.00 C ATOM 0 H VAL A 85 9.529 6.555 2.618 1.00 0.00 H new ATOM 0 HA VAL A 85 8.537 5.631 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 85 8.237 7.973 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.026 8.261 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.302 6.582 -0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.448 7.015 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.922 9.694 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.450 8.528 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.587 9.065 1.049 1.00 0.00 H new ATOM 1286 N SER A 86 10.597 6.976 -1.064 1.00 0.00 N ATOM 1287 CA SER A 86 11.933 7.192 -1.594 1.00 0.00 C ATOM 1288 C SER A 86 12.418 8.598 -1.232 1.00 0.00 C ATOM 1289 O SER A 86 12.611 9.437 -2.110 1.00 0.00 O ATOM 1290 CB SER A 86 11.963 6.995 -3.111 1.00 0.00 C ATOM 1291 OG SER A 86 11.276 8.037 -3.799 1.00 0.00 O ATOM 0 H SER A 86 9.843 7.130 -1.733 1.00 0.00 H new ATOM 0 HA SER A 86 12.601 6.457 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.998 6.957 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.510 6.036 -3.361 1.00 0.00 H new ATOM 0 HG SER A 86 11.610 8.906 -3.493 1.00 0.00 H new ATOM 1366 N VAL A 93 16.015 -0.263 4.533 1.00 0.00 N ATOM 1367 CA VAL A 93 15.285 0.056 5.748 1.00 0.00 C ATOM 1368 C VAL A 93 14.355 -1.107 6.099 1.00 0.00 C ATOM 1369 O VAL A 93 13.970 -1.884 5.226 1.00 0.00 O ATOM 1370 CB VAL A 93 14.544 1.384 5.580 1.00 0.00 C ATOM 1371 CG1 VAL A 93 13.454 1.542 6.642 1.00 0.00 C ATOM 1372 CG2 VAL A 93 15.518 2.563 5.615 1.00 0.00 C ATOM 0 HA VAL A 93 15.973 0.186 6.584 1.00 0.00 H new ATOM 0 HB VAL A 93 14.061 1.377 4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.943 2.494 6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.736 0.727 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.906 1.517 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.966 3.495 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 93 16.042 2.574 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.241 2.462 4.806 1.00 0.00 H new ATOM 1382 N ARG A 94 14.021 -1.192 7.378 1.00 0.00 N ATOM 1383 CA ARG A 94 13.144 -2.247 7.855 1.00 0.00 C ATOM 1384 C ARG A 94 11.828 -1.654 8.363 1.00 0.00 C ATOM 1385 O ARG A 94 11.804 -0.973 9.387 1.00 0.00 O ATOM 1386 CB ARG A 94 13.804 -3.045 8.981 1.00 0.00 C ATOM 1387 CG ARG A 94 15.032 -3.801 8.471 1.00 0.00 C ATOM 1388 CD ARG A 94 14.952 -5.285 8.832 1.00 0.00 C ATOM 1389 NE ARG A 94 15.641 -5.532 10.118 1.00 0.00 N ATOM 1390 CZ ARG A 94 16.969 -5.456 10.285 1.00 0.00 C ATOM 1391 NH1 ARG A 94 17.758 -5.139 9.249 1.00 0.00 N ATOM 1392 NH2 ARG A 94 17.507 -5.696 11.488 1.00 0.00 N ATOM 0 H ARG A 94 14.342 -0.547 8.099 1.00 0.00 H new ATOM 0 HA ARG A 94 12.946 -2.917 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 94 14.096 -2.371 9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.087 -3.750 9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 94 15.108 -3.690 7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 94 15.935 -3.367 8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.909 -5.594 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.409 -5.884 8.044 1.00 0.00 H new ATOM 0 HE ARG A 94 15.070 -5.775 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 94 17.348 -4.955 8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 94 18.768 -5.081 9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.906 -5.936 12.277 1.00 0.00 H new ATOM 0 HH22 ARG A 94 18.517 -5.638 11.616 1.00 0.00 H new ATOM 1406 N LEU A 95 10.765 -1.935 7.623 1.00 0.00 N ATOM 1407 CA LEU A 95 9.449 -1.438 7.985 1.00 0.00 C ATOM 1408 C LEU A 95 8.688 -2.528 8.744 1.00 0.00 C ATOM 1409 O LEU A 95 8.505 -3.632 8.234 1.00 0.00 O ATOM 1410 CB LEU A 95 8.712 -0.922 6.748 1.00 0.00 C ATOM 1411 CG LEU A 95 7.500 -0.027 7.014 1.00 0.00 C ATOM 1412 CD1 LEU A 95 6.700 0.209 5.731 1.00 0.00 C ATOM 1413 CD2 LEU A 95 6.630 -0.601 8.134 1.00 0.00 C ATOM 0 H LEU A 95 10.789 -2.501 6.774 1.00 0.00 H new ATOM 0 HA LEU A 95 9.536 -0.583 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.420 -0.367 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.383 -1.780 6.161 1.00 0.00 H new ATOM 0 HG LEU A 95 7.861 0.945 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.844 0.848 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.336 0.693 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.350 -0.746 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.775 0.054 8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.277 -1.592 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.217 -0.675 9.049 1.00 0.00 H new ATOM 1425 N LYS A 96 8.266 -2.179 9.951 1.00 0.00 N ATOM 1426 CA LYS A 96 7.530 -3.113 10.785 1.00 0.00 C ATOM 1427 C LYS A 96 6.117 -3.286 10.225 1.00 0.00 C ATOM 1428 O LYS A 96 5.447 -2.305 9.907 1.00 0.00 O ATOM 1429 CB LYS A 96 7.561 -2.665 12.247 1.00 0.00 C ATOM 1430 CG LYS A 96 8.068 -3.788 13.154 1.00 0.00 C ATOM 1431 CD LYS A 96 8.564 -3.232 14.490 1.00 0.00 C ATOM 1432 CE LYS A 96 7.628 -3.633 15.632 1.00 0.00 C ATOM 1433 NZ LYS A 96 6.797 -2.482 16.050 1.00 0.00 N ATOM 0 H LYS A 96 8.420 -1.262 10.371 1.00 0.00 H new ATOM 0 HA LYS A 96 8.003 -4.095 10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.205 -1.791 12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.561 -2.363 12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.268 -4.507 13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.876 -4.325 12.657 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.569 -3.603 14.692 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.630 -2.145 14.434 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.987 -4.455 15.313 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.212 -3.994 16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.168 -2.772 16.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.413 -1.709 16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.226 -2.155 15.245 1.00 0.00 H new ATOM 1447 N SER A 97 5.705 -4.541 10.121 1.00 0.00 N ATOM 1448 CA SER A 97 4.384 -4.855 9.604 1.00 0.00 C ATOM 1449 C SER A 97 3.449 -5.236 10.754 1.00 0.00 C ATOM 1450 O SER A 97 3.892 -5.779 11.765 1.00 0.00 O ATOM 1451 CB SER A 97 4.449 -5.987 8.577 1.00 0.00 C ATOM 1452 OG SER A 97 3.317 -5.987 7.710 1.00 0.00 O ATOM 0 H SER A 97 6.263 -5.353 10.386 1.00 0.00 H new ATOM 0 HA SER A 97 3.993 -3.969 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.359 -5.888 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.509 -6.944 9.095 1.00 0.00 H new ATOM 0 HG SER A 97 2.956 -5.078 7.643 1.00 0.00 H new ATOM 1458 N LEU A 98 2.173 -4.935 10.562 1.00 0.00 N ATOM 1459 CA LEU A 98 1.173 -5.238 11.571 1.00 0.00 C ATOM 1460 C LEU A 98 1.151 -6.747 11.824 1.00 0.00 C ATOM 1461 O LEU A 98 0.867 -7.189 12.936 1.00 0.00 O ATOM 1462 CB LEU A 98 -0.187 -4.664 11.167 1.00 0.00 C ATOM 1463 CG LEU A 98 -0.196 -3.190 10.756 1.00 0.00 C ATOM 1464 CD1 LEU A 98 -1.625 -2.645 10.702 1.00 0.00 C ATOM 1465 CD2 LEU A 98 0.700 -2.358 11.676 1.00 0.00 C ATOM 0 H LEU A 98 1.809 -4.484 9.722 1.00 0.00 H new ATOM 0 HA LEU A 98 1.429 -4.759 12.516 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.577 -5.255 10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.876 -4.792 12.002 1.00 0.00 H new ATOM 0 HG LEU A 98 0.217 -3.114 9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.603 -1.596 10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.204 -3.214 9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.087 -2.736 11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.675 -1.315 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.341 -2.436 12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.723 -2.729 11.621 1.00 0.00 H new ATOM 1477 N GLN A 99 1.456 -7.496 10.774 1.00 0.00 N ATOM 1478 CA GLN A 99 1.476 -8.945 10.869 1.00 0.00 C ATOM 1479 C GLN A 99 2.583 -9.400 11.823 1.00 0.00 C ATOM 1480 O GLN A 99 2.477 -10.456 12.445 1.00 0.00 O ATOM 1481 CB GLN A 99 1.645 -9.583 9.489 1.00 0.00 C ATOM 1482 CG GLN A 99 1.090 -11.008 9.471 1.00 0.00 C ATOM 1483 CD GLN A 99 2.026 -11.953 8.714 1.00 0.00 C ATOM 1484 OE1 GLN A 99 2.754 -11.559 7.818 1.00 0.00 O ATOM 1485 NE2 GLN A 99 1.966 -13.217 9.123 1.00 0.00 N ATOM 0 H GLN A 99 1.691 -7.126 9.853 1.00 0.00 H new ATOM 0 HA GLN A 99 0.518 -9.276 11.271 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.131 -8.980 8.740 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.701 -9.597 9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.958 -11.363 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.106 -11.013 9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.334 -13.479 9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.552 -13.925 8.680 1.00 0.00 H new ATOM 1494 N GLY A 100 3.621 -8.580 11.907 1.00 0.00 N ATOM 1495 CA GLY A 100 4.746 -8.885 12.774 1.00 0.00 C ATOM 1496 C GLY A 100 6.060 -8.881 11.989 1.00 0.00 C ATOM 1497 O GLY A 100 7.051 -8.306 12.435 1.00 0.00 O ATOM 0 H GLY A 100 3.706 -7.705 11.389 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.797 -8.153 13.580 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.598 -9.860 13.238 1.00 0.00 H new ATOM 1501 N ASP A 101 6.024 -9.530 10.835 1.00 0.00 N ATOM 1502 CA ASP A 101 7.199 -9.608 9.984 1.00 0.00 C ATOM 1503 C ASP A 101 7.533 -8.213 9.453 1.00 0.00 C ATOM 1504 O ASP A 101 6.642 -7.469 9.048 1.00 0.00 O ATOM 1505 CB ASP A 101 6.949 -10.523 8.783 1.00 0.00 C ATOM 1506 CG ASP A 101 6.111 -11.768 9.082 1.00 0.00 C ATOM 1507 OD1 ASP A 101 6.374 -12.390 10.134 1.00 0.00 O ATOM 1508 OD2 ASP A 101 5.227 -12.070 8.251 1.00 0.00 O ATOM 0 H ASP A 101 5.200 -10.007 10.469 1.00 0.00 H new ATOM 0 HA ASP A 101 8.020 -10.009 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.451 -9.947 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.911 -10.839 8.380 1.00 0.00 H new ATOM 1513 N LYS A 102 8.821 -7.900 9.473 1.00 0.00 N ATOM 1514 CA LYS A 102 9.284 -6.607 8.999 1.00 0.00 C ATOM 1515 C LYS A 102 9.466 -6.661 7.481 1.00 0.00 C ATOM 1516 O LYS A 102 10.063 -7.599 6.956 1.00 0.00 O ATOM 1517 CB LYS A 102 10.544 -6.180 9.754 1.00 0.00 C ATOM 1518 CG LYS A 102 10.267 -6.048 11.253 1.00 0.00 C ATOM 1519 CD LYS A 102 10.884 -7.213 12.029 1.00 0.00 C ATOM 1520 CE LYS A 102 11.627 -6.713 13.270 1.00 0.00 C ATOM 1521 NZ LYS A 102 11.159 -7.429 14.478 1.00 0.00 N ATOM 0 H LYS A 102 9.558 -8.520 9.810 1.00 0.00 H new ATOM 0 HA LYS A 102 8.540 -5.837 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.336 -6.911 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.902 -5.228 9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.674 -5.106 11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.191 -6.020 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.102 -7.912 12.326 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.572 -7.760 11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.699 -6.863 13.144 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.467 -5.642 13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.673 -7.078 15.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.140 -7.265 14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.334 -8.448 14.367 1.00 0.00 H new ATOM 1535 N LEU A 103 8.939 -5.641 6.818 1.00 0.00 N ATOM 1536 CA LEU A 103 9.036 -5.560 5.370 1.00 0.00 C ATOM 1537 C LEU A 103 10.325 -4.830 4.989 1.00 0.00 C ATOM 1538 O LEU A 103 10.728 -3.882 5.662 1.00 0.00 O ATOM 1539 CB LEU A 103 7.773 -4.925 4.784 1.00 0.00 C ATOM 1540 CG LEU A 103 6.455 -5.634 5.103 1.00 0.00 C ATOM 1541 CD1 LEU A 103 5.263 -4.701 4.881 1.00 0.00 C ATOM 1542 CD2 LEU A 103 6.323 -6.932 4.305 1.00 0.00 C ATOM 0 H LEU A 103 8.444 -4.865 7.257 1.00 0.00 H new ATOM 0 HA LEU A 103 9.095 -6.558 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.706 -3.898 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.884 -4.877 3.701 1.00 0.00 H new ATOM 0 HG LEU A 103 6.460 -5.905 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.339 -5.229 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.357 -3.830 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.243 -4.378 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.378 -7.416 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.350 -6.708 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.148 -7.599 4.556 1.00 0.00 H new ATOM 1554 N GLU A 104 10.937 -5.300 3.912 1.00 0.00 N ATOM 1555 CA GLU A 104 12.173 -4.703 3.434 1.00 0.00 C ATOM 1556 C GLU A 104 11.881 -3.708 2.309 1.00 0.00 C ATOM 1557 O GLU A 104 11.171 -4.031 1.358 1.00 0.00 O ATOM 1558 CB GLU A 104 13.158 -5.779 2.973 1.00 0.00 C ATOM 1559 CG GLU A 104 14.420 -5.773 3.838 1.00 0.00 C ATOM 1560 CD GLU A 104 15.448 -6.779 3.314 1.00 0.00 C ATOM 1561 OE1 GLU A 104 15.686 -6.761 2.087 1.00 0.00 O ATOM 1562 OE2 GLU A 104 15.973 -7.542 4.154 1.00 0.00 O ATOM 0 H GLU A 104 10.600 -6.087 3.357 1.00 0.00 H new ATOM 0 HA GLU A 104 12.636 -4.162 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.682 -6.758 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.426 -5.609 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.855 -4.774 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.160 -6.016 4.868 1.00 0.00 H new ATOM 1569 N VAL A 105 12.445 -2.518 2.454 1.00 0.00 N ATOM 1570 CA VAL A 105 12.254 -1.474 1.462 1.00 0.00 C ATOM 1571 C VAL A 105 13.557 -0.689 1.297 1.00 0.00 C ATOM 1572 O VAL A 105 14.101 -0.171 2.271 1.00 0.00 O ATOM 1573 CB VAL A 105 11.069 -0.589 1.854 1.00 0.00 C ATOM 1574 CG1 VAL A 105 10.536 0.183 0.645 1.00 0.00 C ATOM 1575 CG2 VAL A 105 9.960 -1.416 2.508 1.00 0.00 C ATOM 0 H VAL A 105 13.034 -2.254 3.243 1.00 0.00 H new ATOM 0 HA VAL A 105 12.011 -1.909 0.493 1.00 0.00 H new ATOM 0 HB VAL A 105 11.422 0.138 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 105 9.694 0.804 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 105 11.326 0.816 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 105 10.208 -0.521 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.130 -0.763 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.612 -2.176 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.347 -1.899 3.405 1.00 0.00 H new ATOM 1585 N SER A 106 14.019 -0.625 0.057 1.00 0.00 N ATOM 1586 CA SER A 106 15.248 0.088 -0.248 1.00 0.00 C ATOM 1587 C SER A 106 15.062 0.935 -1.509 1.00 0.00 C ATOM 1588 O SER A 106 14.050 0.816 -2.198 1.00 0.00 O ATOM 1589 CB SER A 106 16.417 -0.882 -0.428 1.00 0.00 C ATOM 1590 OG SER A 106 16.030 -2.061 -1.130 1.00 0.00 O ATOM 0 H SER A 106 13.564 -1.055 -0.748 1.00 0.00 H new ATOM 0 HA SER A 106 15.481 0.743 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 106 17.221 -0.384 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 106 16.814 -1.156 0.549 1.00 0.00 H new ATOM 0 HG SER A 106 16.805 -2.654 -1.226 1.00 0.00 H new ATOM 1596 N LEU A 107 16.055 1.772 -1.772 1.00 0.00 N ATOM 1597 CA LEU A 107 16.014 2.639 -2.938 1.00 0.00 C ATOM 1598 C LEU A 107 17.321 2.496 -3.720 1.00 0.00 C ATOM 1599 O LEU A 107 18.376 2.926 -3.257 1.00 0.00 O ATOM 1600 CB LEU A 107 15.698 4.078 -2.524 1.00 0.00 C ATOM 1601 CG LEU A 107 15.615 5.099 -3.660 1.00 0.00 C ATOM 1602 CD1 LEU A 107 14.586 4.670 -4.708 1.00 0.00 C ATOM 1603 CD2 LEU A 107 15.330 6.501 -3.118 1.00 0.00 C ATOM 0 H LEU A 107 16.893 1.868 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 107 15.208 2.340 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.748 4.081 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 107 16.462 4.409 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 107 16.585 5.137 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 107 14.547 5.413 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.873 3.705 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 107 13.605 4.586 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 107 15.276 7.207 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 107 14.381 6.498 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 107 16.129 6.798 -2.439 1.00 0.00 H new ATOM 1615 N LYS A 108 17.208 1.891 -4.893 1.00 0.00 N ATOM 1616 CA LYS A 108 18.367 1.687 -5.745 1.00 0.00 C ATOM 1617 C LYS A 108 17.993 2.004 -7.194 1.00 0.00 C ATOM 1618 O LYS A 108 16.904 1.656 -7.648 1.00 0.00 O ATOM 1619 CB LYS A 108 18.933 0.278 -5.551 1.00 0.00 C ATOM 1620 CG LYS A 108 20.455 0.316 -5.394 1.00 0.00 C ATOM 1621 CD LYS A 108 21.043 -1.096 -5.422 1.00 0.00 C ATOM 1622 CE LYS A 108 22.435 -1.097 -6.058 1.00 0.00 C ATOM 1623 NZ LYS A 108 23.468 -0.791 -5.044 1.00 0.00 N ATOM 0 H LYS A 108 16.331 1.535 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 108 19.169 2.370 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 108 18.484 -0.180 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 108 18.667 -0.345 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 108 20.892 0.912 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 108 20.715 0.804 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 108 21.102 -1.489 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 108 20.383 -1.758 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 108 22.635 -2.070 -6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 108 22.475 -0.360 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 24.406 -0.796 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.285 0.147 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.440 -1.509 -4.292 1.00 0.00 H new ATOM 1637 N ASN A 109 18.916 2.662 -7.879 1.00 0.00 N ATOM 1638 CA ASN A 109 18.697 3.030 -9.268 1.00 0.00 C ATOM 1639 C ASN A 109 17.427 3.877 -9.372 1.00 0.00 C ATOM 1640 O ASN A 109 16.851 4.009 -10.450 1.00 0.00 O ATOM 1641 CB ASN A 109 18.511 1.790 -10.144 1.00 0.00 C ATOM 1642 CG ASN A 109 19.835 1.045 -10.327 1.00 0.00 C ATOM 1643 OD1 ASN A 109 20.913 1.598 -10.184 1.00 0.00 O ATOM 1644 ND2 ASN A 109 19.694 -0.237 -10.651 1.00 0.00 N ATOM 0 H ASN A 109 19.817 2.950 -7.498 1.00 0.00 H new ATOM 0 HA ASN A 109 19.570 3.586 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 109 17.776 1.126 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 109 18.117 2.083 -11.117 1.00 0.00 H new ATOM 0 HD21 ASN A 109 20.518 -0.820 -10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 109 18.762 -0.637 -10.755 1.00 0.00 H new ATOM 1651 N ASN A 110 17.027 4.429 -8.235 1.00 0.00 N ATOM 1652 CA ASN A 110 15.836 5.259 -8.185 1.00 0.00 C ATOM 1653 C ASN A 110 14.595 4.368 -8.261 1.00 0.00 C ATOM 1654 O ASN A 110 13.511 4.835 -8.607 1.00 0.00 O ATOM 1655 CB ASN A 110 15.792 6.232 -9.365 1.00 0.00 C ATOM 1656 CG ASN A 110 14.955 7.467 -9.026 1.00 0.00 C ATOM 1657 OD1 ASN A 110 14.495 7.651 -7.911 1.00 0.00 O ATOM 1658 ND2 ASN A 110 14.782 8.300 -10.049 1.00 0.00 N ATOM 0 H ASN A 110 17.507 4.317 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 110 15.858 5.824 -7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 110 16.805 6.536 -9.628 1.00 0.00 H new ATOM 0 HB3 ASN A 110 15.372 5.732 -10.238 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.237 9.153 -9.925 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.195 8.086 -10.957 1.00 0.00 H new ATOM 1665 N VAL A 111 14.795 3.100 -7.931 1.00 0.00 N ATOM 1666 CA VAL A 111 13.705 2.139 -7.958 1.00 0.00 C ATOM 1667 C VAL A 111 13.382 1.702 -6.528 1.00 0.00 C ATOM 1668 O VAL A 111 14.283 1.529 -5.709 1.00 0.00 O ATOM 1669 CB VAL A 111 14.063 0.968 -8.875 1.00 0.00 C ATOM 1670 CG1 VAL A 111 13.251 -0.278 -8.515 1.00 0.00 C ATOM 1671 CG2 VAL A 111 13.869 1.343 -10.345 1.00 0.00 C ATOM 0 H VAL A 111 15.695 2.716 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 111 12.804 2.593 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 111 15.117 0.736 -8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 111 13.525 -1.096 -9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 111 13.461 -0.564 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.188 -0.063 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 111 14.131 0.493 -10.975 1.00 0.00 H new ATOM 0 HG22 VAL A 111 12.828 1.615 -10.517 1.00 0.00 H new ATOM 0 HG23 VAL A 111 14.510 2.189 -10.592 1.00 0.00 H new ATOM 1681 N VAL A 112 12.092 1.536 -6.272 1.00 0.00 N ATOM 1682 CA VAL A 112 11.639 1.122 -4.955 1.00 0.00 C ATOM 1683 C VAL A 112 11.240 -0.354 -4.998 1.00 0.00 C ATOM 1684 O VAL A 112 10.584 -0.797 -5.941 1.00 0.00 O ATOM 1685 CB VAL A 112 10.505 2.034 -4.481 1.00 0.00 C ATOM 1686 CG1 VAL A 112 9.954 1.569 -3.132 1.00 0.00 C ATOM 1687 CG2 VAL A 112 10.966 3.491 -4.413 1.00 0.00 C ATOM 0 H VAL A 112 11.347 1.681 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 112 12.444 1.220 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 112 9.698 1.972 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.150 2.234 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.569 0.554 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.750 1.587 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.142 4.118 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.799 3.577 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.287 3.818 -5.402 1.00 0.00 H new ATOM 1697 N SER A 113 11.651 -1.076 -3.966 1.00 0.00 N ATOM 1698 CA SER A 113 11.345 -2.494 -3.875 1.00 0.00 C ATOM 1699 C SER A 113 10.791 -2.821 -2.487 1.00 0.00 C ATOM 1700 O SER A 113 11.168 -2.191 -1.500 1.00 0.00 O ATOM 1701 CB SER A 113 12.583 -3.345 -4.166 1.00 0.00 C ATOM 1702 OG SER A 113 13.635 -2.576 -4.743 1.00 0.00 O ATOM 0 H SER A 113 12.193 -0.706 -3.185 1.00 0.00 H new ATOM 0 HA SER A 113 10.591 -2.730 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.934 -3.803 -3.241 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.314 -4.157 -4.842 1.00 0.00 H new ATOM 0 HG SER A 113 14.408 -3.154 -4.912 1.00 0.00 H new ATOM 1708 N VAL A 114 9.905 -3.806 -2.455 1.00 0.00 N ATOM 1709 CA VAL A 114 9.295 -4.224 -1.205 1.00 0.00 C ATOM 1710 C VAL A 114 9.362 -5.748 -1.094 1.00 0.00 C ATOM 1711 O VAL A 114 8.625 -6.457 -1.778 1.00 0.00 O ATOM 1712 CB VAL A 114 7.868 -3.680 -1.111 1.00 0.00 C ATOM 1713 CG1 VAL A 114 7.018 -4.164 -2.288 1.00 0.00 C ATOM 1714 CG2 VAL A 114 7.223 -4.060 0.224 1.00 0.00 C ATOM 0 H VAL A 114 9.595 -4.327 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 114 9.842 -3.812 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 114 7.920 -2.592 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 114 6.009 -3.763 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.462 -3.821 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 114 6.978 -5.253 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 114 6.209 -3.661 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.190 -5.146 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 114 7.810 -3.644 1.043 1.00 0.00 H new ATOM 1724 N ASN A 115 10.253 -6.208 -0.228 1.00 0.00 N ATOM 1725 CA ASN A 115 10.427 -7.636 -0.019 1.00 0.00 C ATOM 1726 C ASN A 115 11.157 -8.238 -1.222 1.00 0.00 C ATOM 1727 O ASN A 115 10.929 -9.393 -1.576 1.00 0.00 O ATOM 1728 CB ASN A 115 9.076 -8.341 0.115 1.00 0.00 C ATOM 1729 CG ASN A 115 8.135 -7.554 1.029 1.00 0.00 C ATOM 1730 OD1 ASN A 115 6.858 -7.602 0.662 1.00 0.00 O flip ATOM 1731 ND2 ASN A 115 8.542 -6.944 2.004 1.00 0.00 N flip ATOM 0 H ASN A 115 10.863 -5.617 0.337 1.00 0.00 H new ATOM 0 HA ASN A 115 11.000 -7.776 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.622 -8.455 -0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 115 9.223 -9.344 0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.537 -6.948 2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.888 -6.430 2.594 1.00 0.00 H new ATOM 1738 N LYS A 116 12.020 -7.427 -1.816 1.00 0.00 N ATOM 1739 CA LYS A 116 12.785 -7.865 -2.971 1.00 0.00 C ATOM 1740 C LYS A 116 11.856 -7.971 -4.182 1.00 0.00 C ATOM 1741 O LYS A 116 12.091 -8.777 -5.081 1.00 0.00 O ATOM 1742 CB LYS A 116 13.536 -9.160 -2.657 1.00 0.00 C ATOM 1743 CG LYS A 116 15.008 -8.879 -2.348 1.00 0.00 C ATOM 1744 CD LYS A 116 15.925 -9.692 -3.264 1.00 0.00 C ATOM 1745 CE LYS A 116 16.268 -11.044 -2.636 1.00 0.00 C ATOM 1746 NZ LYS A 116 17.675 -11.406 -2.921 1.00 0.00 N ATOM 0 H LYS A 116 12.206 -6.469 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 116 13.552 -7.132 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.071 -9.657 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.462 -9.842 -3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.213 -7.816 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.218 -9.124 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.438 -9.847 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.841 -9.133 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.108 -11.002 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 116 15.602 -11.813 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 17.891 -12.326 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.817 -11.466 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 18.307 -10.680 -2.526 1.00 0.00 H new ATOM 1760 N GLU A 117 10.819 -7.147 -4.167 1.00 0.00 N ATOM 1761 CA GLU A 117 9.853 -7.138 -5.253 1.00 0.00 C ATOM 1762 C GLU A 117 9.777 -5.747 -5.884 1.00 0.00 C ATOM 1763 O GLU A 117 9.877 -4.738 -5.187 1.00 0.00 O ATOM 1764 CB GLU A 117 8.477 -7.595 -4.766 1.00 0.00 C ATOM 1765 CG GLU A 117 8.454 -9.106 -4.527 1.00 0.00 C ATOM 1766 CD GLU A 117 7.835 -9.841 -5.718 1.00 0.00 C ATOM 1767 OE1 GLU A 117 8.286 -9.566 -6.851 1.00 0.00 O ATOM 1768 OE2 GLU A 117 6.924 -10.660 -5.469 1.00 0.00 O ATOM 0 H GLU A 117 10.626 -6.480 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 117 10.185 -7.843 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 117 8.222 -7.073 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.719 -7.328 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.469 -9.467 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.885 -9.326 -3.624 1.00 0.00 H new ATOM 1775 N PRO A 118 9.596 -5.736 -7.232 1.00 0.00 N ATOM 1776 CA PRO A 118 9.505 -4.485 -7.966 1.00 0.00 C ATOM 1777 C PRO A 118 8.147 -3.817 -7.743 1.00 0.00 C ATOM 1778 O PRO A 118 7.109 -4.475 -7.802 1.00 0.00 O ATOM 1779 CB PRO A 118 9.750 -4.862 -9.418 1.00 0.00 C ATOM 1780 CG PRO A 118 9.508 -6.360 -9.506 1.00 0.00 C ATOM 1781 CD PRO A 118 9.472 -6.911 -8.090 1.00 0.00 C ATOM 0 HA PRO A 118 10.234 -3.747 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 118 9.078 -4.318 -10.082 1.00 0.00 H new ATOM 0 HB3 PRO A 118 10.767 -4.612 -9.720 1.00 0.00 H new ATOM 0 HG2 PRO A 118 8.569 -6.565 -10.019 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.298 -6.841 -10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.542 -7.446 -7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.286 -7.615 -7.918 1.00 0.00 H new ATOM 1789 N VAL A 119 8.197 -2.517 -7.491 1.00 0.00 N ATOM 1790 CA VAL A 119 6.984 -1.751 -7.260 1.00 0.00 C ATOM 1791 C VAL A 119 6.469 -1.205 -8.592 1.00 0.00 C ATOM 1792 O VAL A 119 7.244 -0.997 -9.524 1.00 0.00 O ATOM 1793 CB VAL A 119 7.247 -0.655 -6.225 1.00 0.00 C ATOM 1794 CG1 VAL A 119 6.031 0.262 -6.078 1.00 0.00 C ATOM 1795 CG2 VAL A 119 7.646 -1.258 -4.877 1.00 0.00 C ATOM 0 H VAL A 119 9.059 -1.975 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 119 6.202 -2.389 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 119 8.081 -0.051 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 119 6.244 1.032 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 119 5.812 0.732 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.170 -0.324 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.827 -0.458 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.842 -1.897 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 119 8.554 -1.850 -4.997 1.00 0.00 H new ATOM 1805 N ALA A 120 5.162 -0.987 -8.641 1.00 0.00 N ATOM 1806 CA ALA A 120 4.534 -0.469 -9.844 1.00 0.00 C ATOM 1807 C ALA A 120 4.734 1.047 -9.906 1.00 0.00 C ATOM 1808 O ALA A 120 5.507 1.541 -10.726 1.00 0.00 O ATOM 1809 CB ALA A 120 3.056 -0.863 -9.859 1.00 0.00 C ATOM 0 H ALA A 120 4.521 -1.160 -7.866 1.00 0.00 H new ATOM 0 HA ALA A 120 4.995 -0.899 -10.733 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.585 -0.474 -10.762 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.969 -1.949 -9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.560 -0.447 -8.983 1.00 0.00 H new ATOM 1815 N GLU A 121 4.025 1.742 -9.029 1.00 0.00 N ATOM 1816 CA GLU A 121 4.115 3.191 -8.974 1.00 0.00 C ATOM 1817 C GLU A 121 4.036 3.673 -7.524 1.00 0.00 C ATOM 1818 O GLU A 121 2.957 3.998 -7.032 1.00 0.00 O ATOM 1819 CB GLU A 121 3.025 3.841 -9.828 1.00 0.00 C ATOM 1820 CG GLU A 121 3.381 3.776 -11.314 1.00 0.00 C ATOM 1821 CD GLU A 121 4.203 4.997 -11.734 1.00 0.00 C ATOM 1822 OE1 GLU A 121 5.263 5.211 -11.107 1.00 0.00 O ATOM 1823 OE2 GLU A 121 3.754 5.688 -12.674 1.00 0.00 O ATOM 0 H GLU A 121 3.385 1.328 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 121 5.079 3.491 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.074 3.337 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.894 4.880 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.945 2.866 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.469 3.725 -11.908 1.00 0.00 H new ATOM 1830 N PRO A 122 5.224 3.705 -6.863 1.00 0.00 N ATOM 1831 CA PRO A 122 5.300 4.141 -5.480 1.00 0.00 C ATOM 1832 C PRO A 122 5.162 5.662 -5.376 1.00 0.00 C ATOM 1833 O PRO A 122 5.050 6.349 -6.390 1.00 0.00 O ATOM 1834 CB PRO A 122 6.641 3.631 -4.979 1.00 0.00 C ATOM 1835 CG PRO A 122 7.465 3.334 -6.221 1.00 0.00 C ATOM 1836 CD PRO A 122 6.523 3.327 -7.414 1.00 0.00 C ATOM 0 HA PRO A 122 4.487 3.748 -4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.133 4.376 -4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.516 2.736 -4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 122 8.242 4.087 -6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.967 2.371 -6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 122 6.848 4.031 -8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 122 6.484 2.343 -7.882 1.00 0.00 H new ATOM 1844 N ASP A 123 5.175 6.142 -4.142 1.00 0.00 N ATOM 1845 CA ASP A 123 5.053 7.569 -3.893 1.00 0.00 C ATOM 1846 C ASP A 123 3.591 7.988 -4.060 1.00 0.00 C ATOM 1847 O ASP A 123 3.280 8.855 -4.875 1.00 0.00 O ATOM 1848 CB ASP A 123 5.893 8.375 -4.885 1.00 0.00 C ATOM 1849 CG ASP A 123 6.329 9.756 -4.392 1.00 0.00 C ATOM 1850 OD1 ASP A 123 5.450 10.643 -4.337 1.00 0.00 O ATOM 1851 OD2 ASP A 123 7.532 9.893 -4.079 1.00 0.00 O ATOM 0 H ASP A 123 5.268 5.569 -3.303 1.00 0.00 H new ATOM 0 HA ASP A 123 5.404 7.766 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 123 6.783 7.798 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 123 5.322 8.498 -5.805 1.00 0.00 H new ATOM 1856 N ILE A 124 2.733 7.353 -3.275 1.00 0.00 N ATOM 1857 CA ILE A 124 1.312 7.650 -3.326 1.00 0.00 C ATOM 1858 C ILE A 124 0.885 8.310 -2.013 1.00 0.00 C ATOM 1859 O ILE A 124 0.535 7.623 -1.054 1.00 0.00 O ATOM 1860 CB ILE A 124 0.514 6.390 -3.668 1.00 0.00 C ATOM 1861 CG1 ILE A 124 1.151 5.639 -4.839 1.00 0.00 C ATOM 1862 CG2 ILE A 124 -0.955 6.727 -3.935 1.00 0.00 C ATOM 1863 CD1 ILE A 124 0.667 4.188 -4.888 1.00 0.00 C ATOM 0 H ILE A 124 2.995 6.634 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 124 1.100 8.361 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 124 0.540 5.724 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 124 0.904 6.140 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.236 5.661 -4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -1.500 5.814 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.390 7.186 -3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -1.023 7.421 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.135 3.677 -5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 124 0.937 3.683 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -0.416 4.170 -5.009 1.00 0.00 H new ATOM 1875 N MET A 125 0.929 9.634 -2.012 1.00 0.00 N ATOM 1876 CA MET A 125 0.551 10.394 -0.832 1.00 0.00 C ATOM 1877 C MET A 125 -0.948 10.269 -0.556 1.00 0.00 C ATOM 1878 O MET A 125 -1.764 10.403 -1.467 1.00 0.00 O ATOM 1879 CB MET A 125 0.912 11.867 -1.037 1.00 0.00 C ATOM 1880 CG MET A 125 2.337 12.153 -0.560 1.00 0.00 C ATOM 1881 SD MET A 125 2.297 12.998 1.011 1.00 0.00 S ATOM 1882 CE MET A 125 2.833 11.678 2.087 1.00 0.00 C ATOM 0 H MET A 125 1.220 10.200 -2.809 1.00 0.00 H new ATOM 0 HA MET A 125 1.093 9.993 0.025 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.819 12.125 -2.092 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.209 12.497 -0.492 1.00 0.00 H new ATOM 0 HG2 MET A 125 2.892 11.220 -0.466 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.860 12.762 -1.297 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.864 12.037 3.116 1.00 0.00 H new ATOM 0 HE2 MET A 125 2.135 10.844 2.015 1.00 0.00 H new ATOM 0 HE3 MET A 125 3.827 11.346 1.788 1.00 0.00 H new ATOM 1892 N ALA A 126 -1.266 10.014 0.704 1.00 0.00 N ATOM 1893 CA ALA A 126 -2.654 9.869 1.112 1.00 0.00 C ATOM 1894 C ALA A 126 -3.013 10.989 2.091 1.00 0.00 C ATOM 1895 O ALA A 126 -2.239 11.926 2.278 1.00 0.00 O ATOM 1896 CB ALA A 126 -2.867 8.478 1.713 1.00 0.00 C ATOM 0 H ALA A 126 -0.587 9.904 1.457 1.00 0.00 H new ATOM 0 HA ALA A 126 -3.318 9.958 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -3.908 8.369 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.626 7.719 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.219 8.353 2.580 1.00 0.00 H new ATOM 1902 N THR A 127 -4.187 10.854 2.690 1.00 0.00 N ATOM 1903 CA THR A 127 -4.657 11.842 3.645 1.00 0.00 C ATOM 1904 C THR A 127 -4.002 11.620 5.009 1.00 0.00 C ATOM 1905 O THR A 127 -3.833 12.563 5.782 1.00 0.00 O ATOM 1906 CB THR A 127 -6.185 11.770 3.686 1.00 0.00 C ATOM 1907 OG1 THR A 127 -6.459 10.427 4.076 1.00 0.00 O ATOM 1908 CG2 THR A 127 -6.815 11.890 2.297 1.00 0.00 C ATOM 0 H THR A 127 -4.826 10.075 2.532 1.00 0.00 H new ATOM 0 HA THR A 127 -4.372 12.850 3.343 1.00 0.00 H new ATOM 0 HB THR A 127 -6.568 12.563 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 127 -6.400 10.351 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 127 -7.900 11.833 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 127 -6.536 12.845 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 127 -6.458 11.077 1.664 1.00 0.00 H new ATOM 1916 N ASN A 128 -3.650 10.369 5.264 1.00 0.00 N ATOM 1917 CA ASN A 128 -3.016 10.011 6.522 1.00 0.00 C ATOM 1918 C ASN A 128 -2.166 8.755 6.320 1.00 0.00 C ATOM 1919 O ASN A 128 -2.327 7.770 7.039 1.00 0.00 O ATOM 1920 CB ASN A 128 -4.060 9.707 7.598 1.00 0.00 C ATOM 1921 CG ASN A 128 -5.319 9.091 6.982 1.00 0.00 C ATOM 1922 OD1 ASN A 128 -6.321 9.752 6.764 1.00 0.00 O ATOM 1923 ND2 ASN A 128 -5.211 7.793 6.715 1.00 0.00 N ATOM 0 H ASN A 128 -3.792 9.590 4.621 1.00 0.00 H new ATOM 0 HA ASN A 128 -2.403 10.853 6.842 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -3.639 9.023 8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -4.321 10.624 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -5.997 7.290 6.302 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -4.343 7.300 6.923 1.00 0.00 H new ATOM 1930 N GLY A 129 -1.278 8.831 5.340 1.00 0.00 N ATOM 1931 CA GLY A 129 -0.402 7.713 5.035 1.00 0.00 C ATOM 1932 C GLY A 129 0.089 7.780 3.587 1.00 0.00 C ATOM 1933 O GLY A 129 -0.013 8.821 2.941 1.00 0.00 O ATOM 0 H GLY A 129 -1.146 9.650 4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.452 7.720 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.933 6.775 5.200 1.00 0.00 H new ATOM 1937 N VAL A 130 0.610 6.655 3.120 1.00 0.00 N ATOM 1938 CA VAL A 130 1.116 6.572 1.760 1.00 0.00 C ATOM 1939 C VAL A 130 0.792 5.193 1.183 1.00 0.00 C ATOM 1940 O VAL A 130 0.360 4.298 1.908 1.00 0.00 O ATOM 1941 CB VAL A 130 2.612 6.893 1.739 1.00 0.00 C ATOM 1942 CG1 VAL A 130 3.443 5.658 2.095 1.00 0.00 C ATOM 1943 CG2 VAL A 130 3.031 7.463 0.382 1.00 0.00 C ATOM 0 H VAL A 130 0.693 5.793 3.659 1.00 0.00 H new ATOM 0 HA VAL A 130 0.629 7.312 1.125 1.00 0.00 H new ATOM 0 HB VAL A 130 2.802 7.654 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 130 4.502 5.914 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 130 3.174 5.314 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 130 3.246 4.866 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 130 4.099 7.683 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 130 2.819 6.734 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 130 2.474 8.379 0.185 1.00 0.00 H new ATOM 1953 N VAL A 131 1.013 5.064 -0.117 1.00 0.00 N ATOM 1954 CA VAL A 131 0.750 3.809 -0.800 1.00 0.00 C ATOM 1955 C VAL A 131 1.795 3.602 -1.899 1.00 0.00 C ATOM 1956 O VAL A 131 2.339 4.568 -2.432 1.00 0.00 O ATOM 1957 CB VAL A 131 -0.685 3.793 -1.330 1.00 0.00 C ATOM 1958 CG1 VAL A 131 -0.876 2.680 -2.363 1.00 0.00 C ATOM 1959 CG2 VAL A 131 -1.691 3.656 -0.185 1.00 0.00 C ATOM 0 H VAL A 131 1.371 5.808 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 131 0.837 2.972 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.869 4.746 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.905 2.691 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.196 2.840 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.663 1.715 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.703 3.647 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.507 2.726 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.581 4.498 0.499 1.00 0.00 H new ATOM 1969 N HIS A 132 2.044 2.337 -2.204 1.00 0.00 N ATOM 1970 CA HIS A 132 3.014 1.992 -3.229 1.00 0.00 C ATOM 1971 C HIS A 132 2.481 0.830 -4.069 1.00 0.00 C ATOM 1972 O HIS A 132 2.588 -0.329 -3.671 1.00 0.00 O ATOM 1973 CB HIS A 132 4.380 1.695 -2.607 1.00 0.00 C ATOM 1974 CG HIS A 132 4.912 2.808 -1.736 1.00 0.00 C ATOM 1975 ND1 HIS A 132 5.431 3.982 -2.254 1.00 0.00 N ATOM 1976 CD2 HIS A 132 5.000 2.914 -0.379 1.00 0.00 C ATOM 1977 CE1 HIS A 132 5.812 4.752 -1.245 1.00 0.00 C ATOM 1978 NE2 HIS A 132 5.544 4.088 -0.084 1.00 0.00 N ATOM 0 H HIS A 132 1.591 1.539 -1.759 1.00 0.00 H new ATOM 0 HA HIS A 132 3.160 2.841 -3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 132 4.307 0.785 -2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 132 5.096 1.498 -3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 132 4.681 2.169 0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 132 6.257 5.733 -1.327 1.00 0.00 H new ATOM 0 HE2 HIS A 132 5.731 4.436 0.856 1.00 0.00 H new ATOM 1986 N VAL A 133 1.918 1.180 -5.216 1.00 0.00 N ATOM 1987 CA VAL A 133 1.367 0.181 -6.116 1.00 0.00 C ATOM 1988 C VAL A 133 2.462 -0.822 -6.488 1.00 0.00 C ATOM 1989 O VAL A 133 3.554 -0.430 -6.896 1.00 0.00 O ATOM 1990 CB VAL A 133 0.741 0.862 -7.334 1.00 0.00 C ATOM 1991 CG1 VAL A 133 0.137 -0.170 -8.289 1.00 0.00 C ATOM 1992 CG2 VAL A 133 -0.306 1.893 -6.908 1.00 0.00 C ATOM 0 H VAL A 133 1.831 2.142 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 133 0.568 -0.376 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 133 1.533 1.389 -7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -0.301 0.341 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.917 -0.849 -8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.636 -0.737 -7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -0.735 2.362 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.094 1.398 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 133 0.165 2.654 -6.286 1.00 0.00 H new ATOM 2002 N ILE A 134 2.130 -2.095 -6.334 1.00 0.00 N ATOM 2003 CA ILE A 134 3.071 -3.157 -6.649 1.00 0.00 C ATOM 2004 C ILE A 134 2.651 -3.834 -7.956 1.00 0.00 C ATOM 2005 O ILE A 134 1.571 -3.564 -8.479 1.00 0.00 O ATOM 2006 CB ILE A 134 3.203 -4.123 -5.471 1.00 0.00 C ATOM 2007 CG1 ILE A 134 1.931 -4.127 -4.620 1.00 0.00 C ATOM 2008 CG2 ILE A 134 4.448 -3.808 -4.639 1.00 0.00 C ATOM 2009 CD1 ILE A 134 1.929 -5.304 -3.643 1.00 0.00 C ATOM 0 H ILE A 134 1.223 -2.415 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 134 4.068 -2.747 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 134 3.328 -5.130 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 134 1.856 -3.191 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 134 1.056 -4.186 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 134 4.517 -4.510 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 134 5.336 -3.897 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 134 4.379 -2.792 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 134 1.014 -5.283 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 134 1.979 -6.239 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 134 2.792 -5.229 -2.981 1.00 0.00 H new ATOM 2021 N THR A 135 3.527 -4.699 -8.445 1.00 0.00 N ATOM 2022 CA THR A 135 3.261 -5.416 -9.680 1.00 0.00 C ATOM 2023 C THR A 135 3.089 -6.911 -9.402 1.00 0.00 C ATOM 2024 O THR A 135 2.947 -7.706 -10.329 1.00 0.00 O ATOM 2025 CB THR A 135 4.394 -5.107 -10.660 1.00 0.00 C ATOM 2026 OG1 THR A 135 5.560 -5.068 -9.841 1.00 0.00 O ATOM 2027 CG2 THR A 135 4.298 -3.695 -11.240 1.00 0.00 C ATOM 0 H THR A 135 4.422 -4.920 -8.008 1.00 0.00 H new ATOM 0 HA THR A 135 2.324 -5.091 -10.132 1.00 0.00 H new ATOM 0 HB THR A 135 4.380 -5.834 -11.472 1.00 0.00 H new ATOM 0 HG1 THR A 135 5.793 -4.136 -9.647 1.00 0.00 H new ATOM 0 HG21 THR A 135 5.126 -3.528 -11.929 1.00 0.00 H new ATOM 0 HG22 THR A 135 3.354 -3.584 -11.773 1.00 0.00 H new ATOM 0 HG23 THR A 135 4.346 -2.966 -10.431 1.00 0.00 H new ATOM 2035 N ASN A 136 3.107 -7.248 -8.121 1.00 0.00 N ATOM 2036 CA ASN A 136 2.954 -8.633 -7.709 1.00 0.00 C ATOM 2037 C ASN A 136 2.323 -8.680 -6.316 1.00 0.00 C ATOM 2038 O ASN A 136 2.290 -7.673 -5.611 1.00 0.00 O ATOM 2039 CB ASN A 136 4.310 -9.339 -7.637 1.00 0.00 C ATOM 2040 CG ASN A 136 5.458 -8.329 -7.698 1.00 0.00 C ATOM 2041 OD1 ASN A 136 6.259 -8.315 -8.617 1.00 0.00 O ATOM 2042 ND2 ASN A 136 5.492 -7.487 -6.668 1.00 0.00 N ATOM 0 H ASN A 136 3.225 -6.586 -7.354 1.00 0.00 H new ATOM 0 HA ASN A 136 2.324 -9.135 -8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 136 4.376 -9.914 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 136 4.400 -10.047 -8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 136 6.220 -6.775 -6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 136 4.790 -7.554 -5.931 1.00 0.00 H new ATOM 2049 N VAL A 137 1.837 -9.861 -5.961 1.00 0.00 N ATOM 2050 CA VAL A 137 1.208 -10.052 -4.665 1.00 0.00 C ATOM 2051 C VAL A 137 2.258 -10.527 -3.659 1.00 0.00 C ATOM 2052 O VAL A 137 2.613 -11.704 -3.635 1.00 0.00 O ATOM 2053 CB VAL A 137 0.026 -11.015 -4.795 1.00 0.00 C ATOM 2054 CG1 VAL A 137 -0.535 -11.381 -3.419 1.00 0.00 C ATOM 2055 CG2 VAL A 137 -1.064 -10.427 -5.693 1.00 0.00 C ATOM 0 H VAL A 137 1.866 -10.695 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 137 0.804 -9.110 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 137 0.388 -11.930 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.374 -12.066 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.243 -11.860 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -0.874 -10.477 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.892 -11.131 -5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.422 -9.491 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.655 -10.240 -6.686 1.00 0.00 H new ATOM 2065 N LEU A 138 2.727 -9.585 -2.853 1.00 0.00 N ATOM 2066 CA LEU A 138 3.729 -9.893 -1.847 1.00 0.00 C ATOM 2067 C LEU A 138 3.295 -11.132 -1.062 1.00 0.00 C ATOM 2068 O LEU A 138 2.119 -11.491 -1.063 1.00 0.00 O ATOM 2069 CB LEU A 138 3.997 -8.670 -0.966 1.00 0.00 C ATOM 2070 CG LEU A 138 4.397 -7.389 -1.701 1.00 0.00 C ATOM 2071 CD1 LEU A 138 4.321 -6.177 -0.771 1.00 0.00 C ATOM 2072 CD2 LEU A 138 5.778 -7.533 -2.343 1.00 0.00 C ATOM 0 H LEU A 138 2.432 -8.609 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 138 4.681 -10.133 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 138 3.100 -8.465 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.788 -8.922 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 138 3.683 -7.221 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 138 4.610 -5.280 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 138 3.301 -6.064 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 138 4.997 -6.322 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.038 -6.609 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 138 6.519 -7.738 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 138 5.763 -8.355 -3.058 1.00 0.00 H new ATOM 2084 N GLN A 139 4.268 -11.752 -0.411 1.00 0.00 N ATOM 2085 CA GLN A 139 4.001 -12.944 0.377 1.00 0.00 C ATOM 2086 C GLN A 139 4.826 -12.925 1.665 1.00 0.00 C ATOM 2087 O GLN A 139 5.896 -12.319 1.712 1.00 0.00 O ATOM 2088 CB GLN A 139 4.280 -14.210 -0.435 1.00 0.00 C ATOM 2089 CG GLN A 139 3.138 -14.499 -1.411 1.00 0.00 C ATOM 2090 CD GLN A 139 3.454 -15.719 -2.279 1.00 0.00 C ATOM 2091 OE1 GLN A 139 4.340 -16.506 -1.990 1.00 0.00 O ATOM 2092 NE2 GLN A 139 2.682 -15.830 -3.357 1.00 0.00 N ATOM 0 H GLN A 139 5.243 -11.452 -0.413 1.00 0.00 H new ATOM 0 HA GLN A 139 2.945 -12.950 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 139 5.213 -14.094 -0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 139 4.410 -15.057 0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 139 2.216 -14.672 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 139 2.969 -13.630 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 139 1.958 -15.135 -3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 139 2.814 -16.610 -4.001 1.00 0.00 H new ATOM 2101 N PRO A 140 4.284 -13.613 2.705 1.00 0.00 N ATOM 2102 CA PRO A 140 4.958 -13.681 3.990 1.00 0.00 C ATOM 2103 C PRO A 140 6.151 -14.637 3.934 1.00 0.00 C ATOM 2104 O PRO A 140 6.283 -15.416 2.990 1.00 0.00 O ATOM 2105 CB PRO A 140 3.887 -14.124 4.973 1.00 0.00 C ATOM 2106 CG PRO A 140 2.777 -14.734 4.133 1.00 0.00 C ATOM 2107 CD PRO A 140 3.020 -14.342 2.685 1.00 0.00 C ATOM 0 HA PRO A 140 5.386 -12.725 4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 140 4.284 -14.850 5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 140 3.517 -13.280 5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 140 2.770 -15.819 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 140 1.804 -14.375 4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 140 3.080 -15.220 2.042 1.00 0.00 H new ATOM 0 HD3 PRO A 140 2.211 -13.721 2.302 1.00 0.00 H new