USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 831 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 85 GLN : amide:sc= 0.752 K(o=2,f=-0.72) USER MOD Set 1.2: A 89 SER OG : rot 166:sc= 1.2 USER MOD Set 2.1: A 55 GLN : amide:sc= 0.719 X(o=0.36,f=-0.033) USER MOD Set 2.2: A 81 MET CE :methyl 173:sc= -0.356 (180deg=-0.0355) USER MOD Set 3.1: A 34 HIS : no HE2:sc= 0.737 K(o=0.87,f=-2.3!) USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 2 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.13) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0602 K(o=-0.06,f=-0.98) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 40 CYS SG : rot 36:sc= -0.248 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 1.15 K(o=1.1,f=-0.032) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= 0.503 (180deg=-2.36) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 158:sc= 1.2 USER MOD Single : A 99 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 103 THR OG1 : rot 26:sc= 0.371 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc=-0.00835 X(o=-0.0084,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.953 -20.274 1.218 1.00 0.00 N ATOM 9 CA HIS A 2 1.821 -18.812 1.369 1.00 0.00 C ATOM 10 C HIS A 2 2.143 -18.383 2.828 1.00 0.00 C ATOM 11 O HIS A 2 2.393 -19.238 3.681 1.00 0.00 O ATOM 12 CB HIS A 2 0.444 -18.345 0.821 1.00 0.00 C ATOM 13 CG HIS A 2 0.196 -18.626 -0.635 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.015 -19.845 -1.239 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.071 -17.665 -1.589 1.00 0.00 C ATOM 16 CE1 HIS A 2 -0.192 -19.621 -2.551 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.107 -18.304 -2.821 1.00 0.00 N ATOM 0 HA HIS A 2 2.562 -18.292 0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.341 -18.826 1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.352 -17.272 0.986 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.103 -16.598 -1.425 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -0.377 -20.389 -3.287 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.161 -17.862 -3.739 1.00 0.00 H new ATOM 25 N VAL A 3 2.199 -17.082 3.155 1.00 0.00 N ATOM 26 CA VAL A 3 2.409 -16.615 4.542 1.00 0.00 C ATOM 27 C VAL A 3 1.302 -15.692 4.940 1.00 0.00 C ATOM 28 O VAL A 3 0.911 -14.831 4.170 1.00 0.00 O ATOM 29 CB VAL A 3 3.779 -15.970 4.782 1.00 0.00 C ATOM 30 CG1 VAL A 3 3.971 -14.491 4.449 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.322 -16.267 6.188 1.00 0.00 C ATOM 0 H VAL A 3 2.101 -16.328 2.475 1.00 0.00 H new ATOM 0 HA VAL A 3 2.395 -17.502 5.175 1.00 0.00 H new ATOM 0 HB VAL A 3 4.367 -16.472 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.995 -14.196 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.775 -14.328 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.280 -13.892 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.294 -15.789 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.630 -15.879 6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.428 -17.344 6.317 1.00 0.00 H new ATOM 41 N GLN A 4 0.800 -15.878 6.141 1.00 0.00 N ATOM 42 CA GLN A 4 -0.269 -15.042 6.652 1.00 0.00 C ATOM 43 C GLN A 4 0.325 -13.720 7.104 1.00 0.00 C ATOM 44 O GLN A 4 1.355 -13.714 7.780 1.00 0.00 O ATOM 45 CB GLN A 4 -1.053 -15.749 7.766 1.00 0.00 C ATOM 46 CG GLN A 4 -2.547 -15.523 7.515 1.00 0.00 C ATOM 47 CD GLN A 4 -3.446 -16.060 8.633 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.327 -17.213 9.035 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.358 -15.266 9.163 1.00 0.00 N ATOM 0 H GLN A 4 1.115 -16.603 6.786 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.995 -14.846 5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.826 -16.815 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.767 -15.355 8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.729 -14.455 7.396 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.825 -16.001 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.456 -14.308 8.828 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.964 -15.611 9.907 1.00 0.00 H new ATOM 58 N LEU A 5 -0.333 -12.615 6.765 1.00 0.00 N ATOM 59 CA LEU A 5 -0.019 -11.285 7.273 1.00 0.00 C ATOM 60 C LEU A 5 -1.328 -10.600 7.641 1.00 0.00 C ATOM 61 O LEU A 5 -2.370 -10.936 7.073 1.00 0.00 O ATOM 62 CB LEU A 5 0.750 -10.444 6.237 1.00 0.00 C ATOM 63 CG LEU A 5 2.202 -10.885 5.960 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.810 -9.954 4.906 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.097 -10.810 7.202 1.00 0.00 C ATOM 0 H LEU A 5 -1.118 -12.621 6.114 1.00 0.00 H new ATOM 0 HA LEU A 5 0.626 -11.379 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.198 -10.466 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.763 -9.408 6.575 1.00 0.00 H new ATOM 0 HG LEU A 5 2.159 -11.922 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.837 -10.257 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.225 -10.013 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.801 -8.929 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.106 -11.133 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.127 -9.784 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.696 -11.461 7.979 1.00 0.00 H new ATOM 77 N SER A 6 -1.306 -9.651 8.571 1.00 0.00 N ATOM 78 CA SER A 6 -2.445 -8.793 8.868 1.00 0.00 C ATOM 79 C SER A 6 -1.955 -7.361 8.998 1.00 0.00 C ATOM 80 O SER A 6 -0.809 -7.116 9.384 1.00 0.00 O ATOM 81 CB SER A 6 -3.146 -9.257 10.143 1.00 0.00 C ATOM 82 OG SER A 6 -4.469 -8.761 10.194 1.00 0.00 O ATOM 0 H SER A 6 -0.487 -9.455 9.146 1.00 0.00 H new ATOM 0 HA SER A 6 -3.174 -8.849 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.159 -10.346 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.590 -8.914 11.015 1.00 0.00 H new ATOM 0 HG SER A 6 -4.903 -9.070 11.017 1.00 0.00 H new ATOM 88 N LEU A 7 -2.824 -6.409 8.670 1.00 0.00 N ATOM 89 CA LEU A 7 -2.504 -4.993 8.579 1.00 0.00 C ATOM 90 C LEU A 7 -3.670 -4.204 9.164 1.00 0.00 C ATOM 91 O LEU A 7 -4.813 -4.618 8.949 1.00 0.00 O ATOM 92 CB LEU A 7 -2.288 -4.596 7.109 1.00 0.00 C ATOM 93 CG LEU A 7 -1.191 -5.390 6.378 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.174 -4.973 4.911 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.216 -5.153 6.943 1.00 0.00 C ATOM 0 H LEU A 7 -3.800 -6.611 8.454 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.589 -4.779 9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.228 -4.723 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.038 -3.536 7.067 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.431 -6.445 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.400 -5.530 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.144 -5.185 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.966 -3.905 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.938 -5.744 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.468 -4.096 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.242 -5.451 7.991 1.00 0.00 H new ATOM 107 N PRO A 8 -3.427 -3.081 9.857 1.00 0.00 N ATOM 108 CA PRO A 8 -4.489 -2.216 10.335 1.00 0.00 C ATOM 109 C PRO A 8 -5.206 -1.607 9.132 1.00 0.00 C ATOM 110 O PRO A 8 -4.566 -1.096 8.211 1.00 0.00 O ATOM 111 CB PRO A 8 -3.801 -1.163 11.202 1.00 0.00 C ATOM 112 CG PRO A 8 -2.391 -1.080 10.641 1.00 0.00 C ATOM 113 CD PRO A 8 -2.128 -2.505 10.165 1.00 0.00 C ATOM 0 HA PRO A 8 -5.247 -2.739 10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.311 -0.202 11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.795 -1.454 12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.323 -0.362 9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.672 -0.768 11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.483 -2.508 9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.619 -3.084 10.935 1.00 0.00 H new ATOM 121 N VAL A 9 -6.530 -1.668 9.129 1.00 0.00 N ATOM 122 CA VAL A 9 -7.376 -0.883 8.253 1.00 0.00 C ATOM 123 C VAL A 9 -7.437 0.488 8.911 1.00 0.00 C ATOM 124 O VAL A 9 -7.890 0.599 10.054 1.00 0.00 O ATOM 125 CB VAL A 9 -8.774 -1.514 8.106 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.540 -0.844 6.961 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.694 -3.013 7.802 1.00 0.00 C ATOM 0 H VAL A 9 -7.055 -2.281 9.753 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.984 -0.829 7.237 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.287 -1.367 9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.526 -1.299 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.650 0.220 7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.990 -0.976 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.701 -3.419 7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.150 -3.167 6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.174 -3.522 8.614 1.00 0.00 H new ATOM 137 N LEU A 10 -6.939 1.502 8.217 1.00 0.00 N ATOM 138 CA LEU A 10 -6.870 2.887 8.658 1.00 0.00 C ATOM 139 C LEU A 10 -7.808 3.680 7.741 1.00 0.00 C ATOM 140 O LEU A 10 -8.050 3.256 6.604 1.00 0.00 O ATOM 141 CB LEU A 10 -5.420 3.379 8.503 1.00 0.00 C ATOM 142 CG LEU A 10 -4.328 2.581 9.249 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.948 2.813 8.621 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.264 2.971 10.724 1.00 0.00 C ATOM 0 H LEU A 10 -6.552 1.373 7.282 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.164 3.006 9.701 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.174 3.380 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.375 4.414 8.842 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.596 1.528 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.199 2.239 9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.964 2.492 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.699 3.873 8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.486 2.391 11.220 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.036 4.033 10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.225 2.767 11.196 1.00 0.00 H new ATOM 156 N GLN A 11 -8.355 4.810 8.189 1.00 0.00 N ATOM 157 CA GLN A 11 -9.178 5.638 7.304 1.00 0.00 C ATOM 158 C GLN A 11 -8.291 6.485 6.398 1.00 0.00 C ATOM 159 O GLN A 11 -7.256 6.972 6.841 1.00 0.00 O ATOM 160 CB GLN A 11 -10.103 6.554 8.106 1.00 0.00 C ATOM 161 CG GLN A 11 -11.231 5.767 8.769 1.00 0.00 C ATOM 162 CD GLN A 11 -12.436 6.653 9.039 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.445 7.419 9.991 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.455 6.608 8.191 1.00 0.00 N ATOM 0 H GLN A 11 -8.248 5.168 9.138 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.789 4.969 6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.526 7.078 8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.525 7.313 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.524 4.936 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.876 5.337 9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.433 5.963 7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.261 7.218 8.329 1.00 0.00 H new ATOM 173 N VAL A 12 -8.730 6.799 5.177 1.00 0.00 N ATOM 174 CA VAL A 12 -7.980 7.650 4.254 1.00 0.00 C ATOM 175 C VAL A 12 -7.755 9.034 4.882 1.00 0.00 C ATOM 176 O VAL A 12 -6.756 9.687 4.580 1.00 0.00 O ATOM 177 CB VAL A 12 -8.700 7.683 2.886 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.100 8.314 2.918 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.841 8.375 1.818 1.00 0.00 C ATOM 0 H VAL A 12 -9.619 6.469 4.801 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.986 7.243 4.069 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.842 6.635 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.531 8.295 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.738 7.750 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.026 9.346 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.376 8.381 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.635 9.400 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.901 7.835 1.701 1.00 0.00 H new ATOM 189 N ARG A 13 -8.634 9.474 5.799 1.00 0.00 N ATOM 190 CA ARG A 13 -8.423 10.722 6.519 1.00 0.00 C ATOM 191 C ARG A 13 -7.299 10.606 7.546 1.00 0.00 C ATOM 192 O ARG A 13 -6.526 11.549 7.696 1.00 0.00 O ATOM 193 CB ARG A 13 -9.703 11.245 7.200 1.00 0.00 C ATOM 194 CG ARG A 13 -10.499 10.185 7.979 1.00 0.00 C ATOM 195 CD ARG A 13 -11.352 10.778 9.105 1.00 0.00 C ATOM 196 NE ARG A 13 -10.842 10.380 10.427 1.00 0.00 N ATOM 197 CZ ARG A 13 -11.554 9.916 11.455 1.00 0.00 C ATOM 198 NH1 ARG A 13 -12.885 9.973 11.454 1.00 0.00 N ATOM 199 NH2 ARG A 13 -10.900 9.400 12.486 1.00 0.00 N ATOM 0 H ARG A 13 -9.490 8.980 6.052 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.130 11.448 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.431 12.050 7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.351 11.679 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.146 9.645 7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.806 9.457 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.357 11.865 9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.384 10.446 8.996 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.836 10.468 10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.378 10.377 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.411 9.613 12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.881 9.366 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.416 9.037 13.287 1.00 0.00 H new ATOM 213 N ASP A 14 -7.239 9.484 8.256 1.00 0.00 N ATOM 214 CA ASP A 14 -6.352 9.267 9.396 1.00 0.00 C ATOM 215 C ASP A 14 -4.928 9.094 8.894 1.00 0.00 C ATOM 216 O ASP A 14 -3.957 9.571 9.474 1.00 0.00 O ATOM 217 CB ASP A 14 -6.767 7.992 10.156 1.00 0.00 C ATOM 218 CG ASP A 14 -8.030 8.176 11.015 1.00 0.00 C ATOM 219 OD1 ASP A 14 -8.404 9.330 11.320 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.721 7.169 11.284 1.00 0.00 O ATOM 0 H ASP A 14 -7.824 8.675 8.048 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.417 10.125 10.065 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.939 7.190 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.944 7.676 10.797 1.00 0.00 H new ATOM 225 N VAL A 15 -4.820 8.398 7.770 1.00 0.00 N ATOM 226 CA VAL A 15 -3.654 8.211 6.941 1.00 0.00 C ATOM 227 C VAL A 15 -3.233 9.532 6.304 1.00 0.00 C ATOM 228 O VAL A 15 -3.432 9.724 5.110 1.00 0.00 O ATOM 229 CB VAL A 15 -3.862 7.068 5.936 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.504 6.696 5.368 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.381 5.763 6.551 1.00 0.00 C ATOM 0 H VAL A 15 -5.628 7.907 7.386 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.817 7.896 7.564 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.592 7.440 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.620 5.885 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.068 7.562 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.847 6.374 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.498 5.013 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.670 5.403 7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.345 5.943 7.027 1.00 0.00 H new ATOM 241 N LEU A 16 -2.824 10.510 7.097 1.00 0.00 N ATOM 242 CA LEU A 16 -2.212 11.750 6.649 1.00 0.00 C ATOM 243 C LEU A 16 -1.329 11.543 5.408 1.00 0.00 C ATOM 244 O LEU A 16 -1.547 12.247 4.423 1.00 0.00 O ATOM 245 CB LEU A 16 -1.406 12.353 7.805 1.00 0.00 C ATOM 246 CG LEU A 16 -2.236 12.942 8.965 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.288 13.377 10.091 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.086 14.143 8.524 1.00 0.00 C ATOM 0 H LEU A 16 -2.913 10.459 8.112 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.001 12.441 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.750 11.581 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.765 13.139 7.405 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.919 12.166 9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.868 13.794 10.914 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.724 12.514 10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.598 14.132 9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.651 14.521 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.435 14.929 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.776 13.832 7.740 1.00 0.00 H new ATOM 260 N VAL A 17 -0.391 10.585 5.412 1.00 0.00 N ATOM 261 CA VAL A 17 0.467 10.286 4.265 1.00 0.00 C ATOM 262 C VAL A 17 0.078 8.952 3.645 1.00 0.00 C ATOM 263 O VAL A 17 0.279 7.898 4.251 1.00 0.00 O ATOM 264 CB VAL A 17 1.954 10.245 4.669 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.864 9.816 3.505 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.472 11.565 5.225 1.00 0.00 C ATOM 0 H VAL A 17 -0.208 9.992 6.222 1.00 0.00 H new ATOM 0 HA VAL A 17 0.327 11.084 3.536 1.00 0.00 H new ATOM 0 HB VAL A 17 1.994 9.499 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.901 9.803 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.579 8.819 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.758 10.522 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.525 11.461 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.361 12.345 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.901 11.835 6.114 1.00 0.00 H new ATOM 276 N ARG A 18 -0.434 8.970 2.411 1.00 0.00 N ATOM 277 CA ARG A 18 -0.855 7.756 1.712 1.00 0.00 C ATOM 278 C ARG A 18 0.092 7.328 0.587 1.00 0.00 C ATOM 279 O ARG A 18 -0.320 6.568 -0.297 1.00 0.00 O ATOM 280 CB ARG A 18 -2.286 7.894 1.210 1.00 0.00 C ATOM 281 CG ARG A 18 -3.238 8.583 2.173 1.00 0.00 C ATOM 282 CD ARG A 18 -3.426 10.041 1.787 1.00 0.00 C ATOM 283 NE ARG A 18 -4.322 10.702 2.732 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.990 11.846 2.611 1.00 0.00 C ATOM 285 NH1 ARG A 18 -4.860 12.642 1.557 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.835 12.154 3.580 1.00 0.00 N ATOM 0 H ARG A 18 -0.567 9.825 1.871 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.813 6.952 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.275 8.450 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.675 6.900 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.201 8.073 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.847 8.517 3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.461 10.548 1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.835 10.108 0.779 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.456 10.213 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.228 12.385 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.392 13.511 1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.951 11.525 4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.371 13.021 3.533 1.00 0.00 H new ATOM 300 N GLY A 19 1.315 7.856 0.552 1.00 0.00 N ATOM 301 CA GLY A 19 2.322 7.513 -0.432 1.00 0.00 C ATOM 302 C GLY A 19 3.474 6.838 0.276 1.00 0.00 C ATOM 303 O GLY A 19 3.955 7.336 1.297 1.00 0.00 O ATOM 0 H GLY A 19 1.634 8.551 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.902 6.850 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.667 8.409 -0.949 1.00 0.00 H new ATOM 307 N PHE A 20 3.950 5.735 -0.289 1.00 0.00 N ATOM 308 CA PHE A 20 5.265 5.224 0.041 1.00 0.00 C ATOM 309 C PHE A 20 6.333 5.957 -0.779 1.00 0.00 C ATOM 310 O PHE A 20 7.497 5.934 -0.392 1.00 0.00 O ATOM 311 CB PHE A 20 5.326 3.720 -0.232 1.00 0.00 C ATOM 312 CG PHE A 20 4.488 2.838 0.673 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.816 2.706 2.036 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.425 2.088 0.139 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.072 1.838 2.853 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.678 1.227 0.960 1.00 0.00 C ATOM 317 CZ PHE A 20 3.005 1.101 2.317 1.00 0.00 C ATOM 0 H PHE A 20 3.441 5.181 -0.978 1.00 0.00 H new ATOM 0 HA PHE A 20 5.458 5.395 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.015 3.546 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.365 3.400 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.637 3.270 2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.181 2.175 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.323 1.738 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.854 0.664 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.436 0.437 2.950 1.00 0.00 H new ATOM 327 N GLY A 21 5.963 6.615 -1.881 1.00 0.00 N ATOM 328 CA GLY A 21 6.877 7.248 -2.822 1.00 0.00 C ATOM 329 C GLY A 21 6.096 7.850 -3.982 1.00 0.00 C ATOM 330 O GLY A 21 4.863 7.799 -3.984 1.00 0.00 O ATOM 0 H GLY A 21 4.984 6.723 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.451 8.025 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.592 6.515 -3.196 1.00 0.00 H new ATOM 334 N ASP A 22 6.819 8.395 -4.964 1.00 0.00 N ATOM 335 CA ASP A 22 6.250 9.198 -6.048 1.00 0.00 C ATOM 336 C ASP A 22 6.193 8.460 -7.396 1.00 0.00 C ATOM 337 O ASP A 22 5.384 8.821 -8.252 1.00 0.00 O ATOM 338 CB ASP A 22 7.030 10.516 -6.167 1.00 0.00 C ATOM 339 CG ASP A 22 6.575 11.366 -7.356 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.406 11.799 -7.402 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.383 11.585 -8.288 1.00 0.00 O ATOM 0 H ASP A 22 7.831 8.289 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 22 5.211 9.404 -5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.909 11.089 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.093 10.297 -6.268 1.00 0.00 H new ATOM 346 N SER A 23 6.951 7.374 -7.576 1.00 0.00 N ATOM 347 CA SER A 23 6.884 6.528 -8.773 1.00 0.00 C ATOM 348 C SER A 23 6.303 5.151 -8.431 1.00 0.00 C ATOM 349 O SER A 23 6.307 4.753 -7.264 1.00 0.00 O ATOM 350 CB SER A 23 8.275 6.369 -9.391 1.00 0.00 C ATOM 351 OG SER A 23 8.949 7.602 -9.604 1.00 0.00 O ATOM 0 H SER A 23 7.634 7.054 -6.890 1.00 0.00 H new ATOM 0 HA SER A 23 6.228 7.013 -9.496 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.883 5.741 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.183 5.846 -10.343 1.00 0.00 H new ATOM 0 HG SER A 23 9.830 7.430 -9.998 1.00 0.00 H new ATOM 357 N VAL A 24 5.835 4.407 -9.442 1.00 0.00 N ATOM 358 CA VAL A 24 5.223 3.086 -9.259 1.00 0.00 C ATOM 359 C VAL A 24 6.193 2.144 -8.579 1.00 0.00 C ATOM 360 O VAL A 24 5.866 1.596 -7.525 1.00 0.00 O ATOM 361 CB VAL A 24 4.693 2.497 -10.586 1.00 0.00 C ATOM 362 CG1 VAL A 24 4.028 1.125 -10.446 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.623 3.418 -11.130 1.00 0.00 C ATOM 0 H VAL A 24 5.871 4.708 -10.416 1.00 0.00 H new ATOM 0 HA VAL A 24 4.355 3.211 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 24 5.566 2.395 -11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.685 0.785 -11.423 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.748 0.411 -10.046 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.177 1.200 -9.769 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.239 3.016 -12.067 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.810 3.497 -10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.049 4.406 -11.307 1.00 0.00 H new ATOM 373 N GLU A 25 7.357 1.934 -9.198 1.00 0.00 N ATOM 374 CA GLU A 25 8.272 0.945 -8.685 1.00 0.00 C ATOM 375 C GLU A 25 8.788 1.343 -7.307 1.00 0.00 C ATOM 376 O GLU A 25 8.936 0.451 -6.478 1.00 0.00 O ATOM 377 CB GLU A 25 9.424 0.656 -9.646 1.00 0.00 C ATOM 378 CG GLU A 25 9.113 -0.465 -10.651 1.00 0.00 C ATOM 379 CD GLU A 25 10.387 -0.970 -11.347 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.747 -0.411 -12.410 1.00 0.00 O ATOM 381 OE2 GLU A 25 11.051 -1.892 -10.810 1.00 0.00 O ATOM 0 H GLU A 25 7.672 2.428 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 25 7.711 0.016 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.669 1.567 -10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.308 0.383 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.627 -1.293 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.410 -0.099 -11.399 1.00 0.00 H new ATOM 388 N GLU A 26 9.007 2.639 -7.061 1.00 0.00 N ATOM 389 CA GLU A 26 9.447 3.164 -5.770 1.00 0.00 C ATOM 390 C GLU A 26 8.471 2.690 -4.702 1.00 0.00 C ATOM 391 O GLU A 26 8.850 1.966 -3.781 1.00 0.00 O ATOM 392 CB GLU A 26 9.493 4.703 -5.781 1.00 0.00 C ATOM 393 CG GLU A 26 10.660 5.245 -6.619 1.00 0.00 C ATOM 394 CD GLU A 26 12.042 4.835 -6.090 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.264 4.810 -4.861 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.943 4.556 -6.914 1.00 0.00 O ATOM 0 H GLU A 26 8.880 3.363 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 26 10.453 2.801 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.554 5.090 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.582 5.069 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.554 4.892 -7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.600 6.333 -6.649 1.00 0.00 H new ATOM 403 N ALA A 27 7.202 3.077 -4.858 1.00 0.00 N ATOM 404 CA ALA A 27 6.185 2.816 -3.869 1.00 0.00 C ATOM 405 C ALA A 27 6.001 1.312 -3.677 1.00 0.00 C ATOM 406 O ALA A 27 5.841 0.863 -2.545 1.00 0.00 O ATOM 407 CB ALA A 27 4.890 3.503 -4.302 1.00 0.00 C ATOM 0 H ALA A 27 6.863 3.580 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 27 6.486 3.222 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.112 3.313 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.058 4.577 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.575 3.110 -5.268 1.00 0.00 H new ATOM 413 N LEU A 28 6.031 0.527 -4.760 1.00 0.00 N ATOM 414 CA LEU A 28 5.913 -0.924 -4.680 1.00 0.00 C ATOM 415 C LEU A 28 7.043 -1.542 -3.840 1.00 0.00 C ATOM 416 O LEU A 28 6.778 -2.411 -3.006 1.00 0.00 O ATOM 417 CB LEU A 28 5.861 -1.522 -6.100 1.00 0.00 C ATOM 418 CG LEU A 28 4.761 -2.577 -6.285 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.750 -3.038 -7.744 1.00 0.00 C ATOM 420 CD2 LEU A 28 4.912 -3.808 -5.397 1.00 0.00 C ATOM 0 H LEU A 28 6.137 0.883 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 28 4.982 -1.169 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.705 -0.717 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.827 -1.972 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 28 3.829 -2.091 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.971 -3.788 -7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.553 -2.185 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.718 -3.470 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.093 -4.500 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.861 -4.298 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.889 -3.506 -4.350 1.00 0.00 H new ATOM 432 N SER A 29 8.296 -1.124 -4.049 1.00 0.00 N ATOM 433 CA SER A 29 9.437 -1.638 -3.296 1.00 0.00 C ATOM 434 C SER A 29 9.306 -1.292 -1.826 1.00 0.00 C ATOM 435 O SER A 29 9.420 -2.171 -0.972 1.00 0.00 O ATOM 436 CB SER A 29 10.738 -1.030 -3.812 1.00 0.00 C ATOM 437 OG SER A 29 11.155 -1.760 -4.954 1.00 0.00 O ATOM 0 H SER A 29 8.544 -0.421 -4.745 1.00 0.00 H new ATOM 0 HA SER A 29 9.454 -2.720 -3.424 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.591 0.020 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.505 -1.066 -3.039 1.00 0.00 H new ATOM 0 HG SER A 29 11.990 -1.380 -5.298 1.00 0.00 H new ATOM 443 N GLU A 30 9.057 -0.019 -1.548 1.00 0.00 N ATOM 444 CA GLU A 30 8.949 0.507 -0.204 1.00 0.00 C ATOM 445 C GLU A 30 7.824 -0.198 0.541 1.00 0.00 C ATOM 446 O GLU A 30 7.956 -0.479 1.725 1.00 0.00 O ATOM 447 CB GLU A 30 8.550 1.966 -0.333 1.00 0.00 C ATOM 448 CG GLU A 30 9.597 2.915 -0.898 1.00 0.00 C ATOM 449 CD GLU A 30 10.498 3.488 0.202 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.938 2.707 1.073 1.00 0.00 O ATOM 451 OE2 GLU A 30 10.791 4.707 0.183 1.00 0.00 O ATOM 0 H GLU A 30 8.922 0.688 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 30 9.890 0.370 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.664 2.022 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.260 2.328 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.208 2.388 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.102 3.731 -1.424 1.00 0.00 H new ATOM 458 N ALA A 31 6.716 -0.498 -0.132 1.00 0.00 N ATOM 459 CA ALA A 31 5.592 -1.221 0.429 1.00 0.00 C ATOM 460 C ALA A 31 6.036 -2.596 0.903 1.00 0.00 C ATOM 461 O ALA A 31 5.816 -2.948 2.060 1.00 0.00 O ATOM 462 CB ALA A 31 4.499 -1.280 -0.624 1.00 0.00 C ATOM 0 H ALA A 31 6.578 -0.235 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 31 5.194 -0.713 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.640 -1.820 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.198 -0.268 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.874 -1.795 -1.509 1.00 0.00 H new ATOM 468 N ARG A 32 6.719 -3.358 0.047 1.00 0.00 N ATOM 469 CA ARG A 32 7.318 -4.646 0.409 1.00 0.00 C ATOM 470 C ARG A 32 8.264 -4.483 1.592 1.00 0.00 C ATOM 471 O ARG A 32 8.362 -5.391 2.429 1.00 0.00 O ATOM 472 CB ARG A 32 8.025 -5.220 -0.835 1.00 0.00 C ATOM 473 CG ARG A 32 7.065 -5.561 -1.991 1.00 0.00 C ATOM 474 CD ARG A 32 7.674 -5.410 -3.392 1.00 0.00 C ATOM 475 NE ARG A 32 7.629 -6.664 -4.160 1.00 0.00 N ATOM 476 CZ ARG A 32 8.671 -7.465 -4.403 1.00 0.00 C ATOM 477 NH1 ARG A 32 9.887 -7.153 -3.967 1.00 0.00 N ATOM 478 NH2 ARG A 32 8.475 -8.600 -5.065 1.00 0.00 N ATOM 0 H ARG A 32 6.874 -3.097 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 32 6.549 -5.349 0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.763 -4.499 -1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.570 -6.120 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.719 -6.587 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.188 -4.918 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.137 -4.634 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.709 -5.079 -3.302 1.00 0.00 H new ATOM 0 HE ARG A 32 6.725 -6.946 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.034 -6.293 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.673 -7.774 -4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.538 -8.851 -5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.261 -9.221 -5.257 1.00 0.00 H new ATOM 492 N GLU A 33 8.931 -3.340 1.702 1.00 0.00 N ATOM 493 CA GLU A 33 9.803 -3.016 2.810 1.00 0.00 C ATOM 494 C GLU A 33 9.022 -2.719 4.099 1.00 0.00 C ATOM 495 O GLU A 33 9.309 -3.309 5.144 1.00 0.00 O ATOM 496 CB GLU A 33 10.748 -1.871 2.374 1.00 0.00 C ATOM 497 CG GLU A 33 12.131 -2.450 2.072 1.00 0.00 C ATOM 498 CD GLU A 33 13.065 -1.672 1.145 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.628 -0.951 0.221 1.00 0.00 O ATOM 500 OE2 GLU A 33 14.291 -1.902 1.282 1.00 0.00 O ATOM 0 H GLU A 33 8.875 -2.599 1.003 1.00 0.00 H new ATOM 0 HA GLU A 33 10.414 -3.882 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.349 -1.370 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.818 -1.121 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.647 -2.587 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.988 -3.441 1.641 1.00 0.00 H new ATOM 507 N HIS A 34 8.000 -1.866 4.061 1.00 0.00 N ATOM 508 CA HIS A 34 7.222 -1.471 5.227 1.00 0.00 C ATOM 509 C HIS A 34 6.447 -2.691 5.733 1.00 0.00 C ATOM 510 O HIS A 34 6.241 -2.857 6.934 1.00 0.00 O ATOM 511 CB HIS A 34 6.285 -0.303 4.875 1.00 0.00 C ATOM 512 CG HIS A 34 6.980 1.033 4.709 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.015 1.323 3.844 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.687 2.188 5.389 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.359 2.610 4.009 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.577 3.172 4.950 1.00 0.00 N ATOM 0 H HIS A 34 7.685 -1.422 3.198 1.00 0.00 H new ATOM 0 HA HIS A 34 7.882 -1.121 6.021 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.759 -0.542 3.951 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.531 -0.211 5.656 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.446 0.670 3.190 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.910 2.314 6.129 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.144 3.118 3.469 1.00 0.00 H new ATOM 524 N LEU A 35 6.074 -3.605 4.835 1.00 0.00 N ATOM 525 CA LEU A 35 5.449 -4.869 5.184 1.00 0.00 C ATOM 526 C LEU A 35 6.415 -5.827 5.888 1.00 0.00 C ATOM 527 O LEU A 35 5.951 -6.674 6.654 1.00 0.00 O ATOM 528 CB LEU A 35 4.892 -5.538 3.921 1.00 0.00 C ATOM 529 CG LEU A 35 3.655 -4.824 3.357 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.357 -5.354 1.963 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.427 -5.051 4.220 1.00 0.00 C ATOM 0 H LEU A 35 6.203 -3.480 3.831 1.00 0.00 H new ATOM 0 HA LEU A 35 4.642 -4.648 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.669 -5.563 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.635 -6.573 4.148 1.00 0.00 H new ATOM 0 HG LEU A 35 3.876 -3.757 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.479 -4.848 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.212 -5.168 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.166 -6.426 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.575 -4.529 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.211 -6.118 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.612 -4.670 5.224 1.00 0.00 H new ATOM 543 N LYS A 36 7.730 -5.719 5.660 1.00 0.00 N ATOM 544 CA LYS A 36 8.743 -6.439 6.431 1.00 0.00 C ATOM 545 C LYS A 36 8.804 -5.856 7.841 1.00 0.00 C ATOM 546 O LYS A 36 8.770 -6.593 8.823 1.00 0.00 O ATOM 547 CB LYS A 36 10.100 -6.367 5.696 1.00 0.00 C ATOM 548 CG LYS A 36 11.024 -7.572 5.934 1.00 0.00 C ATOM 549 CD LYS A 36 11.660 -7.692 7.330 1.00 0.00 C ATOM 550 CE LYS A 36 12.567 -6.514 7.723 1.00 0.00 C ATOM 551 NZ LYS A 36 13.854 -6.481 6.993 1.00 0.00 N ATOM 0 H LYS A 36 8.120 -5.124 4.929 1.00 0.00 H new ATOM 0 HA LYS A 36 8.484 -7.494 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.914 -6.275 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.619 -5.461 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.454 -8.481 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.826 -7.536 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.865 -7.784 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.243 -8.612 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.033 -5.581 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.768 -6.564 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.412 -5.662 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.384 -7.355 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.672 -6.403 5.972 1.00 0.00 H new ATOM 565 N ASN A 37 8.894 -4.529 7.928 1.00 0.00 N ATOM 566 CA ASN A 37 9.059 -3.803 9.183 1.00 0.00 C ATOM 567 C ASN A 37 7.870 -4.003 10.102 1.00 0.00 C ATOM 568 O ASN A 37 8.047 -4.269 11.289 1.00 0.00 O ATOM 569 CB ASN A 37 9.228 -2.306 8.924 1.00 0.00 C ATOM 570 CG ASN A 37 10.627 -2.008 8.451 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.500 -1.684 9.245 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.894 -2.189 7.172 1.00 0.00 N ATOM 0 H ASN A 37 8.853 -3.919 7.112 1.00 0.00 H new ATOM 0 HA ASN A 37 9.953 -4.200 9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.507 -1.976 8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.019 -1.747 9.836 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.845 -2.059 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.150 -2.459 6.529 1.00 0.00 H new ATOM 579 N GLY A 38 6.682 -3.831 9.529 1.00 0.00 N ATOM 580 CA GLY A 38 5.390 -3.804 10.216 1.00 0.00 C ATOM 581 C GLY A 38 4.634 -2.485 10.016 1.00 0.00 C ATOM 582 O GLY A 38 3.462 -2.393 10.376 1.00 0.00 O ATOM 0 H GLY A 38 6.587 -3.700 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.775 -4.628 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.548 -3.968 11.282 1.00 0.00 H new ATOM 586 N THR A 39 5.267 -1.478 9.419 1.00 0.00 N ATOM 587 CA THR A 39 4.865 -0.077 9.299 1.00 0.00 C ATOM 588 C THR A 39 3.918 0.128 8.121 1.00 0.00 C ATOM 589 O THR A 39 4.034 1.097 7.371 1.00 0.00 O ATOM 590 CB THR A 39 6.153 0.753 9.144 1.00 0.00 C ATOM 591 OG1 THR A 39 7.040 0.079 8.265 1.00 0.00 O ATOM 592 CG2 THR A 39 6.874 0.924 10.477 1.00 0.00 C ATOM 0 H THR A 39 6.164 -1.638 8.961 1.00 0.00 H new ATOM 0 HA THR A 39 4.316 0.242 10.185 1.00 0.00 H new ATOM 0 HB THR A 39 5.869 1.732 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.861 0.605 8.162 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.778 1.515 10.329 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.218 1.435 11.182 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.142 -0.055 10.874 1.00 0.00 H new ATOM 600 N CYS A 40 2.987 -0.796 7.893 1.00 0.00 N ATOM 601 CA CYS A 40 2.093 -0.741 6.753 1.00 0.00 C ATOM 602 C CYS A 40 0.681 -1.050 7.236 1.00 0.00 C ATOM 603 O CYS A 40 0.484 -1.925 8.079 1.00 0.00 O ATOM 604 CB CYS A 40 2.625 -1.667 5.662 1.00 0.00 C ATOM 605 SG CYS A 40 1.465 -1.744 4.266 1.00 0.00 S ATOM 0 H CYS A 40 2.836 -1.603 8.498 1.00 0.00 H new ATOM 0 HA CYS A 40 2.048 0.249 6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.595 -1.310 5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.779 -2.666 6.069 1.00 0.00 H new ATOM 0 HG CYS A 40 0.918 -0.578 4.092 1.00 0.00 H new ATOM 611 N GLY A 41 -0.283 -0.304 6.701 1.00 0.00 N ATOM 612 CA GLY A 41 -1.708 -0.461 6.907 1.00 0.00 C ATOM 613 C GLY A 41 -2.426 -0.473 5.556 1.00 0.00 C ATOM 614 O GLY A 41 -1.790 -0.418 4.499 1.00 0.00 O ATOM 0 H GLY A 41 -0.069 0.472 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.908 -1.388 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.088 0.353 7.524 1.00 0.00 H new ATOM 618 N LEU A 42 -3.754 -0.549 5.589 1.00 0.00 N ATOM 619 CA LEU A 42 -4.636 -0.733 4.444 1.00 0.00 C ATOM 620 C LEU A 42 -5.689 0.371 4.436 1.00 0.00 C ATOM 621 O LEU A 42 -6.177 0.770 5.492 1.00 0.00 O ATOM 622 CB LEU A 42 -5.311 -2.111 4.585 1.00 0.00 C ATOM 623 CG LEU A 42 -6.269 -2.477 3.431 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.557 -3.274 2.339 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.462 -3.274 3.955 1.00 0.00 C ATOM 0 H LEU A 42 -4.271 -0.480 6.466 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.076 -0.685 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.537 -2.875 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.866 -2.135 5.523 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.623 -1.543 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.263 -3.513 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.738 -2.681 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.161 -4.197 2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.126 -3.522 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.108 -4.192 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.005 -2.677 4.688 1.00 0.00 H new ATOM 637 N VAL A 43 -6.096 0.785 3.239 1.00 0.00 N ATOM 638 CA VAL A 43 -7.235 1.640 2.970 1.00 0.00 C ATOM 639 C VAL A 43 -8.221 0.860 2.103 1.00 0.00 C ATOM 640 O VAL A 43 -7.850 0.286 1.074 1.00 0.00 O ATOM 641 CB VAL A 43 -6.738 2.964 2.353 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.869 3.821 1.766 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.994 3.801 3.406 1.00 0.00 C ATOM 0 H VAL A 43 -5.607 0.514 2.386 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.771 1.921 3.877 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.072 2.681 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.452 4.737 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.378 3.263 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.581 4.072 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.650 4.732 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.667 4.026 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.137 3.240 3.778 1.00 0.00 H new ATOM 653 N GLU A 44 -9.477 0.810 2.546 1.00 0.00 N ATOM 654 CA GLU A 44 -10.598 0.300 1.772 1.00 0.00 C ATOM 655 C GLU A 44 -10.805 1.223 0.578 1.00 0.00 C ATOM 656 O GLU A 44 -10.944 2.438 0.738 1.00 0.00 O ATOM 657 CB GLU A 44 -11.873 0.277 2.621 1.00 0.00 C ATOM 658 CG GLU A 44 -11.835 -0.821 3.689 1.00 0.00 C ATOM 659 CD GLU A 44 -13.015 -0.753 4.658 1.00 0.00 C ATOM 660 OE1 GLU A 44 -14.067 -0.160 4.317 1.00 0.00 O ATOM 661 OE2 GLU A 44 -12.860 -1.260 5.792 1.00 0.00 O ATOM 0 H GLU A 44 -9.745 1.132 3.476 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.385 -0.718 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.005 1.246 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.736 0.123 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.829 -1.795 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.905 -0.741 4.252 1.00 0.00 H new ATOM 668 N LEU A 45 -10.821 0.647 -0.619 1.00 0.00 N ATOM 669 CA LEU A 45 -11.045 1.387 -1.848 1.00 0.00 C ATOM 670 C LEU A 45 -12.499 1.816 -1.927 1.00 0.00 C ATOM 671 O LEU A 45 -13.395 0.988 -1.761 1.00 0.00 O ATOM 672 CB LEU A 45 -10.659 0.521 -3.053 1.00 0.00 C ATOM 673 CG LEU A 45 -9.163 0.693 -3.359 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.638 -0.502 -4.153 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.947 1.973 -4.175 1.00 0.00 C ATOM 0 H LEU A 45 -10.678 -0.353 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.422 2.281 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.879 -0.526 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.252 0.805 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.622 0.759 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.577 -0.363 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.778 -1.414 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.184 -0.583 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.885 2.092 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.502 1.906 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.300 2.832 -3.605 1.00 0.00 H new ATOM 687 N GLU A 46 -12.723 3.095 -2.202 1.00 0.00 N ATOM 688 CA GLU A 46 -14.025 3.680 -2.472 1.00 0.00 C ATOM 689 C GLU A 46 -13.806 4.743 -3.550 1.00 0.00 C ATOM 690 O GLU A 46 -12.658 5.124 -3.817 1.00 0.00 O ATOM 691 CB GLU A 46 -14.629 4.309 -1.202 1.00 0.00 C ATOM 692 CG GLU A 46 -14.670 3.348 -0.005 1.00 0.00 C ATOM 693 CD GLU A 46 -15.374 3.961 1.197 1.00 0.00 C ATOM 694 OE1 GLU A 46 -16.610 3.804 1.294 1.00 0.00 O ATOM 695 OE2 GLU A 46 -14.714 4.607 2.046 1.00 0.00 O ATOM 0 H GLU A 46 -11.968 3.780 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.730 2.918 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.048 5.191 -0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.641 4.649 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.181 2.430 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.653 3.072 0.273 1.00 0.00 H new ATOM 702 N LYS A 47 -14.872 5.258 -4.166 1.00 0.00 N ATOM 703 CA LYS A 47 -14.761 6.207 -5.279 1.00 0.00 C ATOM 704 C LYS A 47 -14.139 7.550 -4.873 1.00 0.00 C ATOM 705 O LYS A 47 -13.671 8.295 -5.736 1.00 0.00 O ATOM 706 CB LYS A 47 -16.143 6.374 -5.929 1.00 0.00 C ATOM 707 CG LYS A 47 -16.043 7.087 -7.285 1.00 0.00 C ATOM 708 CD LYS A 47 -17.281 6.891 -8.174 1.00 0.00 C ATOM 709 CE LYS A 47 -17.433 5.451 -8.676 1.00 0.00 C ATOM 710 NZ LYS A 47 -16.462 5.117 -9.738 1.00 0.00 N ATOM 0 H LYS A 47 -15.833 5.031 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.066 5.796 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.604 5.395 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.793 6.943 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.892 8.153 -7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.164 6.721 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.173 7.171 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.218 7.564 -9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.304 4.763 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.445 5.306 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.606 4.133 -10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.600 5.755 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.495 5.228 -9.372 1.00 0.00 H new ATOM 724 N GLY A 48 -14.080 7.858 -3.577 1.00 0.00 N ATOM 725 CA GLY A 48 -13.462 9.073 -3.074 1.00 0.00 C ATOM 726 C GLY A 48 -12.009 8.899 -2.650 1.00 0.00 C ATOM 727 O GLY A 48 -11.472 9.827 -2.052 1.00 0.00 O ATOM 0 H GLY A 48 -14.465 7.262 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.515 9.842 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.037 9.435 -2.222 1.00 0.00 H new ATOM 731 N VAL A 49 -11.367 7.756 -2.908 1.00 0.00 N ATOM 732 CA VAL A 49 -10.028 7.468 -2.395 1.00 0.00 C ATOM 733 C VAL A 49 -8.948 7.953 -3.355 1.00 0.00 C ATOM 734 O VAL A 49 -8.068 8.700 -2.938 1.00 0.00 O ATOM 735 CB VAL A 49 -9.927 5.963 -2.080 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.521 5.504 -1.680 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.891 5.596 -0.941 1.00 0.00 C ATOM 0 H VAL A 49 -11.761 7.007 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.859 8.018 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.188 5.454 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.532 4.434 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.826 5.710 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.203 6.042 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.812 4.530 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.633 6.166 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.913 5.831 -1.239 1.00 0.00 H new ATOM 747 N LEU A 50 -9.017 7.573 -4.635 1.00 0.00 N ATOM 748 CA LEU A 50 -8.073 8.023 -5.661 1.00 0.00 C ATOM 749 C LEU A 50 -7.753 9.530 -5.558 1.00 0.00 C ATOM 750 O LEU A 50 -6.573 9.842 -5.419 1.00 0.00 O ATOM 751 CB LEU A 50 -8.593 7.637 -7.061 1.00 0.00 C ATOM 752 CG LEU A 50 -8.294 6.210 -7.596 1.00 0.00 C ATOM 753 CD1 LEU A 50 -7.565 6.239 -8.943 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.508 5.274 -6.669 1.00 0.00 C ATOM 0 H LEU A 50 -9.734 6.940 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.126 7.511 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.675 7.771 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.183 8.351 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.299 5.796 -7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.377 5.219 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.182 6.754 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.617 6.765 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.366 4.311 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.536 5.714 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.063 5.130 -5.742 1.00 0.00 H new ATOM 766 N PRO A 51 -8.727 10.471 -5.520 1.00 0.00 N ATOM 767 CA PRO A 51 -8.416 11.902 -5.524 1.00 0.00 C ATOM 768 C PRO A 51 -8.081 12.428 -4.114 1.00 0.00 C ATOM 769 O PRO A 51 -8.400 13.564 -3.756 1.00 0.00 O ATOM 770 CB PRO A 51 -9.708 12.528 -6.070 1.00 0.00 C ATOM 771 CG PRO A 51 -10.813 11.630 -5.518 1.00 0.00 C ATOM 772 CD PRO A 51 -10.163 10.250 -5.502 1.00 0.00 C ATOM 0 HA PRO A 51 -7.534 12.143 -6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.826 13.558 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.714 12.545 -7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.124 11.941 -4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.701 11.650 -6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.459 9.692 -4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.476 9.663 -6.366 1.00 0.00 H new ATOM 780 N GLN A 52 -7.305 11.663 -3.352 1.00 0.00 N ATOM 781 CA GLN A 52 -6.769 11.980 -2.030 1.00 0.00 C ATOM 782 C GLN A 52 -5.422 11.295 -1.830 1.00 0.00 C ATOM 783 O GLN A 52 -4.608 11.736 -1.024 1.00 0.00 O ATOM 784 CB GLN A 52 -7.709 11.482 -0.917 1.00 0.00 C ATOM 785 CG GLN A 52 -9.140 12.021 -1.001 1.00 0.00 C ATOM 786 CD GLN A 52 -9.855 11.871 0.334 1.00 0.00 C ATOM 787 OE1 GLN A 52 -9.476 12.516 1.308 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.874 11.030 0.413 1.00 0.00 N ATOM 0 H GLN A 52 -7.012 10.737 -3.664 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.666 13.064 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.743 10.393 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.286 11.760 0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.121 13.071 -1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.690 11.486 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.168 10.507 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.365 10.905 1.298 1.00 0.00 H new ATOM 797 N LEU A 53 -5.191 10.199 -2.544 1.00 0.00 N ATOM 798 CA LEU A 53 -3.960 9.441 -2.460 1.00 0.00 C ATOM 799 C LEU A 53 -2.910 10.178 -3.299 1.00 0.00 C ATOM 800 O LEU A 53 -3.221 11.195 -3.921 1.00 0.00 O ATOM 801 CB LEU A 53 -4.285 8.008 -2.905 1.00 0.00 C ATOM 802 CG LEU A 53 -4.964 7.126 -1.820 1.00 0.00 C ATOM 803 CD1 LEU A 53 -3.920 6.236 -1.158 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.727 7.819 -0.689 1.00 0.00 C ATOM 0 H LEU A 53 -5.865 9.812 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.538 9.362 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.937 8.053 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.362 7.523 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.721 6.596 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.398 5.618 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.459 5.595 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.155 6.857 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.141 7.068 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.048 8.467 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.537 8.416 -1.109 1.00 0.00 H new ATOM 816 N GLU A 54 -1.650 9.741 -3.263 1.00 0.00 N ATOM 817 CA GLU A 54 -0.578 10.426 -3.971 1.00 0.00 C ATOM 818 C GLU A 54 -0.758 10.197 -5.453 1.00 0.00 C ATOM 819 O GLU A 54 -1.303 11.067 -6.129 1.00 0.00 O ATOM 820 CB GLU A 54 0.802 10.010 -3.434 1.00 0.00 C ATOM 821 CG GLU A 54 1.092 10.513 -2.008 1.00 0.00 C ATOM 822 CD GLU A 54 1.145 12.032 -1.839 1.00 0.00 C ATOM 823 OE1 GLU A 54 1.624 12.737 -2.756 1.00 0.00 O ATOM 824 OE2 GLU A 54 0.773 12.531 -0.749 1.00 0.00 O ATOM 0 H GLU A 54 -1.351 8.913 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.628 11.501 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.874 8.922 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.572 10.388 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.326 10.118 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.045 10.096 -1.682 1.00 0.00 H new ATOM 831 N GLN A 55 -0.318 9.042 -5.943 1.00 0.00 N ATOM 832 CA GLN A 55 -0.423 8.661 -7.328 1.00 0.00 C ATOM 833 C GLN A 55 -0.024 7.198 -7.492 1.00 0.00 C ATOM 834 O GLN A 55 -0.870 6.447 -7.950 1.00 0.00 O ATOM 835 CB GLN A 55 0.432 9.566 -8.208 1.00 0.00 C ATOM 836 CG GLN A 55 -0.407 10.613 -8.967 1.00 0.00 C ATOM 837 CD GLN A 55 0.036 10.749 -10.416 1.00 0.00 C ATOM 838 OE1 GLN A 55 0.587 11.766 -10.841 1.00 0.00 O ATOM 839 NE2 GLN A 55 -0.181 9.706 -11.194 1.00 0.00 N ATOM 0 H GLN A 55 0.132 8.333 -5.363 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.458 8.778 -7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.171 10.076 -7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.982 8.956 -8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.459 10.329 -8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.321 11.578 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.639 8.876 -10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.109 9.730 -12.172 1.00 0.00 H new ATOM 848 N PRO A 56 1.195 6.723 -7.149 1.00 0.00 N ATOM 849 CA PRO A 56 1.458 5.300 -7.216 1.00 0.00 C ATOM 850 C PRO A 56 0.733 4.615 -6.062 1.00 0.00 C ATOM 851 O PRO A 56 1.221 4.512 -4.929 1.00 0.00 O ATOM 852 CB PRO A 56 2.962 5.123 -7.245 1.00 0.00 C ATOM 853 CG PRO A 56 3.483 6.357 -6.522 1.00 0.00 C ATOM 854 CD PRO A 56 2.403 7.430 -6.742 1.00 0.00 C ATOM 0 HA PRO A 56 1.072 4.822 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.267 4.205 -6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.339 5.068 -8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.633 6.159 -5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.444 6.675 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.230 8.000 -5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.713 8.141 -7.508 1.00 0.00 H new ATOM 862 N TYR A 57 -0.482 4.193 -6.371 1.00 0.00 N ATOM 863 CA TYR A 57 -1.409 3.532 -5.478 1.00 0.00 C ATOM 864 C TYR A 57 -0.952 2.076 -5.386 1.00 0.00 C ATOM 865 O TYR A 57 -1.124 1.310 -6.340 1.00 0.00 O ATOM 866 CB TYR A 57 -2.835 3.641 -6.051 1.00 0.00 C ATOM 867 CG TYR A 57 -3.251 5.015 -6.565 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.131 6.157 -5.747 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.693 5.159 -7.898 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.464 7.432 -6.246 1.00 0.00 C ATOM 871 CE2 TYR A 57 -3.987 6.432 -8.419 1.00 0.00 C ATOM 872 CZ TYR A 57 -3.891 7.572 -7.587 1.00 0.00 C ATOM 873 OH TYR A 57 -4.181 8.807 -8.075 1.00 0.00 O ATOM 0 H TYR A 57 -0.867 4.312 -7.308 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.424 3.985 -4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.931 2.926 -6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.539 3.337 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.781 6.054 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.806 4.285 -8.522 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.393 8.299 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.285 6.539 -9.451 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.458 8.732 -9.012 1.00 0.00 H new ATOM 883 N VAL A 58 -0.303 1.701 -4.280 1.00 0.00 N ATOM 884 CA VAL A 58 0.108 0.320 -4.067 1.00 0.00 C ATOM 885 C VAL A 58 -1.139 -0.465 -3.687 1.00 0.00 C ATOM 886 O VAL A 58 -1.643 -0.357 -2.571 1.00 0.00 O ATOM 887 CB VAL A 58 1.236 0.182 -3.035 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.706 -1.281 -2.988 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.429 1.066 -3.412 1.00 0.00 C ATOM 0 H VAL A 58 -0.054 2.337 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 58 0.541 -0.084 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 58 0.853 0.494 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.507 -1.382 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.872 -1.922 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.073 -1.577 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.216 0.952 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.809 0.768 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.112 2.108 -3.449 1.00 0.00 H new ATOM 899 N PHE A 59 -1.679 -1.202 -4.642 1.00 0.00 N ATOM 900 CA PHE A 59 -2.865 -2.006 -4.486 1.00 0.00 C ATOM 901 C PHE A 59 -2.531 -3.424 -4.080 1.00 0.00 C ATOM 902 O PHE A 59 -1.402 -3.907 -4.203 1.00 0.00 O ATOM 903 CB PHE A 59 -3.595 -2.047 -5.826 1.00 0.00 C ATOM 904 CG PHE A 59 -4.090 -0.736 -6.389 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.870 0.117 -5.597 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.858 -0.424 -7.737 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.482 1.250 -6.164 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.508 0.682 -8.317 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.358 1.489 -7.543 1.00 0.00 C ATOM 0 H PHE A 59 -1.284 -1.255 -5.581 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.481 -1.563 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.927 -2.498 -6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.451 -2.714 -5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.002 -0.096 -4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.185 -1.029 -8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.044 1.932 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.352 0.911 -9.361 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.914 2.290 -8.006 1.00 0.00 H new ATOM 919 N ILE A 60 -3.599 -4.119 -3.700 1.00 0.00 N ATOM 920 CA ILE A 60 -3.587 -5.537 -3.445 1.00 0.00 C ATOM 921 C ILE A 60 -4.666 -6.184 -4.302 1.00 0.00 C ATOM 922 O ILE A 60 -5.811 -5.731 -4.283 1.00 0.00 O ATOM 923 CB ILE A 60 -3.746 -5.802 -1.938 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.051 -5.256 -1.322 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.553 -5.195 -1.205 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.334 -5.779 0.081 1.00 0.00 C ATOM 0 H ILE A 60 -4.515 -3.692 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.634 -5.986 -3.723 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.792 -6.885 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.000 -4.168 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.886 -5.517 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.653 -5.376 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.632 -5.654 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.520 -4.121 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.267 -5.351 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.419 -6.865 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.519 -5.495 0.746 1.00 0.00 H new ATOM 938 N LYS A 61 -4.340 -7.246 -5.042 1.00 0.00 N ATOM 939 CA LYS A 61 -5.344 -8.039 -5.763 1.00 0.00 C ATOM 940 C LYS A 61 -5.313 -9.471 -5.273 1.00 0.00 C ATOM 941 O LYS A 61 -4.272 -9.948 -4.843 1.00 0.00 O ATOM 942 CB LYS A 61 -5.213 -7.948 -7.306 1.00 0.00 C ATOM 943 CG LYS A 61 -3.876 -7.501 -7.895 1.00 0.00 C ATOM 944 CD LYS A 61 -3.755 -7.715 -9.424 1.00 0.00 C ATOM 945 CE LYS A 61 -4.732 -6.837 -10.179 1.00 0.00 C ATOM 946 NZ LYS A 61 -5.000 -7.362 -11.542 1.00 0.00 N ATOM 0 H LYS A 61 -3.383 -7.580 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.320 -7.609 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.446 -8.930 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.980 -7.262 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.729 -6.444 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.072 -8.045 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.738 -7.492 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.943 -8.762 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.667 -6.772 -9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.332 -5.825 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.721 -6.652 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.453 -8.234 -11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.014 -7.569 -11.641 1.00 0.00 H new ATOM 960 N ARG A 62 -6.450 -10.170 -5.317 1.00 0.00 N ATOM 961 CA ARG A 62 -6.687 -11.465 -4.652 1.00 0.00 C ATOM 962 C ARG A 62 -6.035 -12.675 -5.333 1.00 0.00 C ATOM 963 O ARG A 62 -6.587 -13.776 -5.344 1.00 0.00 O ATOM 964 CB ARG A 62 -8.180 -11.684 -4.352 1.00 0.00 C ATOM 965 CG ARG A 62 -9.152 -11.073 -5.358 1.00 0.00 C ATOM 966 CD ARG A 62 -10.548 -11.703 -5.317 1.00 0.00 C ATOM 967 NE ARG A 62 -10.582 -12.872 -6.208 1.00 0.00 N ATOM 968 CZ ARG A 62 -10.706 -12.852 -7.540 1.00 0.00 C ATOM 969 NH1 ARG A 62 -11.270 -11.816 -8.157 1.00 0.00 N ATOM 970 NH2 ARG A 62 -10.237 -13.887 -8.218 1.00 0.00 N ATOM 0 H ARG A 62 -7.265 -9.842 -5.835 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.163 -11.393 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.368 -12.756 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.398 -11.272 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.238 -10.004 -5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.741 -11.183 -6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.795 -12.001 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.297 -10.974 -5.626 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.503 -13.788 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.614 -11.024 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.358 -11.814 -9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.799 -14.664 -7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.313 -13.908 -9.235 1.00 0.00 H new ATOM 984 N SER A 63 -4.856 -12.472 -5.897 1.00 0.00 N ATOM 985 CA SER A 63 -4.058 -13.383 -6.708 1.00 0.00 C ATOM 986 C SER A 63 -4.758 -13.722 -8.034 1.00 0.00 C ATOM 987 O SER A 63 -4.169 -13.521 -9.097 1.00 0.00 O ATOM 988 CB SER A 63 -3.634 -14.614 -5.875 1.00 0.00 C ATOM 989 OG SER A 63 -2.959 -15.587 -6.651 1.00 0.00 O ATOM 0 H SER A 63 -4.384 -11.574 -5.788 1.00 0.00 H new ATOM 0 HA SER A 63 -3.134 -12.886 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.987 -14.291 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.517 -15.064 -5.422 1.00 0.00 H new ATOM 0 HG SER A 63 -2.710 -16.344 -6.081 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.095 -16.511 1.340 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.278 -15.483 0.337 1.00 0.00 C ATOM 1118 C LYS A 73 -7.003 -14.665 0.298 1.00 0.00 C ATOM 1119 O LYS A 73 -6.894 -13.575 0.868 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.519 -14.648 0.646 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.803 -15.477 0.557 1.00 0.00 C ATOM 1122 CD LYS A 73 -12.010 -14.567 0.335 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.142 -13.499 1.437 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.475 -13.453 2.065 1.00 0.00 N ATOM 0 HA LYS A 73 -8.454 -15.910 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.430 -14.223 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.577 -13.813 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.725 -16.194 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.937 -16.052 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.921 -14.077 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.917 -15.170 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.394 -13.691 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.918 -12.521 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.489 -12.713 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.192 -13.241 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.685 -14.373 2.501 1.00 0.00 H new ATOM 1138 N VAL A 74 -6.015 -15.231 -0.374 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.699 -14.631 -0.518 1.00 0.00 C ATOM 1140 C VAL A 74 -4.794 -13.326 -1.327 1.00 0.00 C ATOM 1141 O VAL A 74 -5.766 -13.127 -2.063 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.697 -15.668 -1.079 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.892 -17.092 -0.510 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.621 -15.780 -2.594 1.00 0.00 C ATOM 0 H VAL A 74 -6.105 -16.133 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.305 -14.341 0.456 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.754 -15.245 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.154 -17.763 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.765 -17.072 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.894 -17.446 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.886 -16.537 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.597 -16.064 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.325 -14.819 -3.015 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.795 -12.441 -1.228 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.658 -11.279 -2.111 1.00 0.00 C ATOM 1156 C VAL A 75 -2.185 -11.137 -2.518 1.00 0.00 C ATOM 1157 O VAL A 75 -1.321 -11.846 -1.988 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.248 -9.986 -1.485 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.635 -10.176 -0.865 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.374 -9.330 -0.425 1.00 0.00 C ATOM 0 H VAL A 75 -3.056 -12.512 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.250 -11.440 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.308 -9.331 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.980 -9.230 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.333 -10.511 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.580 -10.922 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.870 -8.436 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.211 -10.029 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.415 -9.055 -0.863 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.865 -10.220 -3.427 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.501 -9.917 -3.832 1.00 0.00 C ATOM 1172 C GLU A 76 -0.321 -8.411 -4.047 1.00 0.00 C ATOM 1173 O GLU A 76 -1.315 -7.702 -4.194 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.127 -10.738 -5.069 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.719 -10.250 -6.403 1.00 0.00 C ATOM 1176 CD GLU A 76 0.033 -10.896 -7.564 1.00 0.00 C ATOM 1177 OE1 GLU A 76 1.278 -10.761 -7.618 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -0.591 -11.624 -8.370 1.00 0.00 O ATOM 0 H GLU A 76 -2.564 -9.656 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 76 0.185 -10.201 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.959 -10.750 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.445 -11.768 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.778 -10.503 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.647 -9.164 -6.469 1.00 0.00 H new ATOM 1185 N LEU A 77 0.938 -7.963 -4.065 1.00 0.00 N ATOM 1186 CA LEU A 77 1.405 -6.575 -4.069 1.00 0.00 C ATOM 1187 C LEU A 77 1.584 -6.075 -5.494 1.00 0.00 C ATOM 1188 O LEU A 77 2.329 -6.690 -6.261 1.00 0.00 O ATOM 1189 CB LEU A 77 2.773 -6.511 -3.360 1.00 0.00 C ATOM 1190 CG LEU A 77 2.650 -6.083 -1.891 1.00 0.00 C ATOM 1191 CD1 LEU A 77 3.904 -6.466 -1.097 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.429 -4.568 -1.806 1.00 0.00 C ATOM 0 H LEU A 77 1.721 -8.617 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 77 0.668 -5.955 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.252 -7.488 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.420 -5.810 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 77 1.796 -6.603 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.789 -6.151 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.042 -7.547 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.774 -5.974 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.343 -4.271 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.274 -4.051 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.514 -4.304 -2.335 1.00 0.00 H new ATOM 1204 N VAL A 78 0.952 -4.952 -5.832 1.00 0.00 N ATOM 1205 CA VAL A 78 0.964 -4.355 -7.165 1.00 0.00 C ATOM 1206 C VAL A 78 0.942 -2.834 -6.986 1.00 0.00 C ATOM 1207 O VAL A 78 0.464 -2.356 -5.965 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.241 -4.890 -7.994 1.00 0.00 C ATOM 1209 CG1 VAL A 78 0.224 -5.409 -9.353 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.990 -6.059 -7.357 1.00 0.00 C ATOM 0 H VAL A 78 0.400 -4.416 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 78 1.860 -4.626 -7.724 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.906 -4.029 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.634 -5.778 -9.915 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.701 -4.601 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.938 -6.220 -9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.811 -6.362 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.307 -6.897 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.387 -5.753 -6.389 1.00 0.00 H new ATOM 1220 N ALA A 79 1.414 -2.045 -7.953 1.00 0.00 N ATOM 1221 CA ALA A 79 1.264 -0.588 -7.935 1.00 0.00 C ATOM 1222 C ALA A 79 0.873 -0.101 -9.327 1.00 0.00 C ATOM 1223 O ALA A 79 1.037 -0.823 -10.312 1.00 0.00 O ATOM 1224 CB ALA A 79 2.544 0.075 -7.418 1.00 0.00 C ATOM 0 H ALA A 79 1.911 -2.398 -8.771 1.00 0.00 H new ATOM 0 HA ALA A 79 0.466 -0.304 -7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.416 1.157 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.750 -0.273 -6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.378 -0.187 -8.069 1.00 0.00 H new ATOM 1230 N GLU A 80 0.345 1.112 -9.399 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.305 1.699 -10.560 1.00 0.00 C ATOM 1232 C GLU A 80 -0.341 3.201 -10.289 1.00 0.00 C ATOM 1233 O GLU A 80 -0.674 3.563 -9.164 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.746 1.145 -10.608 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.019 0.121 -11.716 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.899 0.721 -13.112 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.198 1.926 -13.271 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.551 -0.032 -14.044 1.00 0.00 O ATOM 0 H GLU A 80 0.360 1.749 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 80 0.202 1.479 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.972 0.684 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.435 1.981 -10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.318 -0.708 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.020 -0.291 -11.586 1.00 0.00 H new ATOM 1245 N MET A 81 -0.003 4.063 -11.257 1.00 0.00 N ATOM 1246 CA MET A 81 0.047 5.514 -11.018 1.00 0.00 C ATOM 1247 C MET A 81 -1.195 6.238 -11.534 1.00 0.00 C ATOM 1248 O MET A 81 -1.574 7.262 -10.971 1.00 0.00 O ATOM 1249 CB MET A 81 1.341 6.135 -11.558 1.00 0.00 C ATOM 1250 CG MET A 81 1.430 6.253 -13.085 1.00 0.00 C ATOM 1251 SD MET A 81 0.781 7.810 -13.749 1.00 0.00 S ATOM 1252 CE MET A 81 2.154 8.914 -13.333 1.00 0.00 C ATOM 0 H MET A 81 0.239 3.784 -12.208 1.00 0.00 H new ATOM 0 HA MET A 81 0.051 5.650 -9.937 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.453 7.130 -11.127 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.183 5.539 -11.207 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.472 6.149 -13.386 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.884 5.424 -13.535 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.981 9.894 -13.779 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.224 9.015 -12.250 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.085 8.499 -13.719 1.00 0.00 H new ATOM 1262 N ASP A 82 -1.833 5.713 -12.586 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.098 6.239 -13.123 1.00 0.00 C ATOM 1264 C ASP A 82 -4.252 5.282 -12.793 1.00 0.00 C ATOM 1265 O ASP A 82 -5.405 5.496 -13.175 1.00 0.00 O ATOM 1266 CB ASP A 82 -2.951 6.456 -14.638 1.00 0.00 C ATOM 1267 CG ASP A 82 -3.996 7.415 -15.212 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -3.837 8.645 -15.053 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -4.941 6.970 -15.908 1.00 0.00 O ATOM 0 H ASP A 82 -1.483 4.902 -13.096 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.330 7.198 -12.660 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.955 6.846 -14.848 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.031 5.495 -15.146 1.00 0.00 H new ATOM 1274 N GLY A 83 -3.948 4.203 -12.064 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.895 3.209 -11.599 1.00 0.00 C ATOM 1276 C GLY A 83 -5.593 2.475 -12.741 1.00 0.00 C ATOM 1277 O GLY A 83 -6.700 1.984 -12.510 1.00 0.00 O ATOM 0 H GLY A 83 -2.992 3.999 -11.775 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.375 2.485 -10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.644 3.693 -10.973 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.941 2.375 -13.908 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.383 1.885 -15.225 1.00 0.00 C ATOM 1283 C ILE A 84 -6.540 0.884 -15.176 1.00 0.00 C ATOM 1284 O ILE A 84 -7.475 0.957 -15.976 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.135 1.293 -15.946 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.283 2.450 -16.516 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.439 0.209 -17.000 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -1.874 2.059 -16.971 1.00 0.00 C ATOM 0 H ILE A 84 -3.967 2.674 -13.958 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.797 2.726 -15.781 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.564 0.749 -15.193 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.813 2.887 -17.362 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.200 3.227 -15.756 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.506 -0.139 -17.444 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.949 -0.629 -16.524 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.077 0.627 -17.778 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.358 2.939 -17.354 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.319 1.652 -16.126 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.941 1.307 -17.757 1.00 0.00 H new ATOM 1300 N GLN A 85 -6.409 -0.130 -14.325 1.00 0.00 N ATOM 1301 CA GLN A 85 -7.252 -1.309 -14.334 1.00 0.00 C ATOM 1302 C GLN A 85 -7.460 -1.819 -12.918 1.00 0.00 C ATOM 1303 O GLN A 85 -8.584 -2.114 -12.522 1.00 0.00 O ATOM 1304 CB GLN A 85 -6.572 -2.335 -15.257 1.00 0.00 C ATOM 1305 CG GLN A 85 -7.050 -3.779 -15.149 1.00 0.00 C ATOM 1306 CD GLN A 85 -8.560 -3.968 -15.052 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -9.020 -4.795 -14.260 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -9.348 -3.229 -15.809 1.00 0.00 N ATOM 0 H GLN A 85 -5.696 -0.150 -13.596 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.251 -1.096 -14.715 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.709 -2.008 -16.288 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.501 -2.316 -15.056 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.688 -4.329 -16.018 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.588 -4.231 -14.271 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.945 -2.552 -16.456 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.361 -3.335 -15.747 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.379 -1.930 -12.146 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.453 -2.407 -10.773 1.00 0.00 C ATOM 1319 C TYR A 86 -7.375 -1.477 -9.980 1.00 0.00 C ATOM 1320 O TYR A 86 -8.299 -1.981 -9.341 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.037 -2.478 -10.193 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.040 -3.307 -10.989 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.473 -4.285 -11.907 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -2.660 -3.090 -10.813 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.534 -5.050 -12.613 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -1.724 -3.840 -11.544 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.160 -4.845 -12.428 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.294 -5.679 -13.055 1.00 0.00 O ATOM 0 H TYR A 86 -5.436 -1.693 -12.455 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.874 -3.411 -10.720 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.649 -1.463 -10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.097 -2.886 -9.184 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.529 -4.445 -12.067 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.319 -2.343 -10.112 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.873 -5.805 -13.307 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.668 -3.645 -11.428 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.374 -5.419 -12.838 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.185 -0.155 -10.132 1.00 0.00 N ATOM 1339 CA GLY A 87 -7.900 0.961 -9.502 1.00 0.00 C ATOM 1340 C GLY A 87 -9.335 1.133 -9.969 1.00 0.00 C ATOM 1341 O GLY A 87 -9.807 2.265 -10.100 1.00 0.00 O ATOM 0 H GLY A 87 -6.457 0.188 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.898 0.814 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.354 1.884 -9.699 1.00 0.00 H new ATOM 1345 N ARG A 88 -9.999 0.025 -10.274 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.377 -0.027 -10.745 1.00 0.00 C ATOM 1347 C ARG A 88 -12.057 -1.396 -10.611 1.00 0.00 C ATOM 1348 O ARG A 88 -13.158 -1.536 -11.157 1.00 0.00 O ATOM 1349 CB ARG A 88 -11.423 0.441 -12.217 1.00 0.00 C ATOM 1350 CG ARG A 88 -12.470 1.553 -12.393 1.00 0.00 C ATOM 1351 CD ARG A 88 -13.214 1.430 -13.723 1.00 0.00 C ATOM 1352 NE ARG A 88 -13.471 2.717 -14.386 1.00 0.00 N ATOM 1353 CZ ARG A 88 -14.221 3.750 -13.991 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -14.765 3.806 -12.783 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -14.435 4.753 -14.835 1.00 0.00 N ATOM 0 H ARG A 88 -9.575 -0.899 -10.197 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.945 0.638 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.442 0.805 -12.520 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.665 -0.401 -12.866 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.185 1.511 -11.572 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.980 2.525 -12.340 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.634 0.796 -14.394 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.165 0.926 -13.550 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.005 2.840 -15.285 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.616 3.044 -12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.332 4.611 -12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.029 4.728 -15.770 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.005 5.548 -14.548 1.00 0.00 H new ATOM 1369 N SER A 89 -11.453 -2.419 -9.997 1.00 0.00 N ATOM 1370 CA SER A 89 -11.848 -3.814 -10.239 1.00 0.00 C ATOM 1371 C SER A 89 -12.250 -4.612 -8.994 1.00 0.00 C ATOM 1372 O SER A 89 -11.910 -4.270 -7.865 1.00 0.00 O ATOM 1373 CB SER A 89 -10.698 -4.488 -10.995 1.00 0.00 C ATOM 1374 OG SER A 89 -10.857 -4.165 -12.362 1.00 0.00 O ATOM 0 H SER A 89 -10.690 -2.309 -9.329 1.00 0.00 H new ATOM 0 HA SER A 89 -12.766 -3.800 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.735 -4.136 -10.625 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.721 -5.568 -10.849 1.00 0.00 H new ATOM 0 HG SER A 89 -10.033 -4.381 -12.847 1.00 0.00 H new ATOM 1380 N GLY A 90 -12.970 -5.721 -9.209 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.411 -6.628 -8.153 1.00 0.00 C ATOM 1382 C GLY A 90 -12.267 -7.484 -7.636 1.00 0.00 C ATOM 1383 O GLY A 90 -12.301 -7.952 -6.497 1.00 0.00 O ATOM 0 H GLY A 90 -13.265 -6.014 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.835 -6.051 -7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.204 -7.271 -8.533 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.219 -7.666 -8.442 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.003 -8.315 -7.992 1.00 0.00 C ATOM 1389 C ILE A 91 -9.279 -7.498 -6.911 1.00 0.00 C ATOM 1390 O ILE A 91 -8.518 -8.095 -6.148 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.109 -8.602 -9.215 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.030 -9.618 -8.846 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.493 -7.323 -9.811 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.035 -9.952 -9.954 1.00 0.00 C ATOM 0 H ILE A 91 -11.197 -7.367 -9.417 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.257 -9.262 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.743 -9.025 -9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.477 -9.238 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.517 -10.540 -8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.873 -7.583 -10.669 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.289 -6.650 -10.129 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.880 -6.829 -9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.313 -10.682 -9.587 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.568 -10.368 -10.809 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.512 -9.046 -10.259 1.00 0.00 H new ATOM 1406 N THR A 92 -9.461 -6.176 -6.827 1.00 0.00 N ATOM 1407 CA THR A 92 -8.559 -5.341 -6.043 1.00 0.00 C ATOM 1408 C THR A 92 -9.242 -4.928 -4.737 1.00 0.00 C ATOM 1409 O THR A 92 -10.354 -4.393 -4.756 1.00 0.00 O ATOM 1410 CB THR A 92 -8.061 -4.141 -6.857 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.954 -4.428 -8.239 1.00 0.00 O ATOM 1412 CG2 THR A 92 -6.683 -3.724 -6.349 1.00 0.00 C ATOM 0 H THR A 92 -10.217 -5.670 -7.288 1.00 0.00 H new ATOM 0 HA THR A 92 -7.670 -5.917 -5.784 1.00 0.00 H new ATOM 0 HB THR A 92 -8.793 -3.343 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.986 -3.592 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.326 -2.871 -6.926 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.751 -3.448 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.987 -4.555 -6.462 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.608 -5.235 -3.601 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.279 -5.285 -2.301 1.00 0.00 C ATOM 1422 C LEU A 93 -9.100 -3.985 -1.520 1.00 0.00 C ATOM 1423 O LEU A 93 -10.026 -3.550 -0.835 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.800 -6.462 -1.436 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.710 -7.855 -2.073 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -9.969 -8.228 -2.855 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -7.437 -8.081 -2.877 1.00 0.00 C ATOM 0 H LEU A 93 -7.613 -5.456 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.337 -5.428 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.812 -6.209 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.467 -6.534 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.648 -8.548 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.850 -9.223 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.829 -8.222 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.128 -7.505 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.445 -9.087 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.383 -7.352 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.570 -7.966 -2.226 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.919 -3.366 -1.585 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.665 -2.054 -1.014 1.00 0.00 C ATOM 1441 C GLY A 94 -6.385 -1.498 -1.620 1.00 0.00 C ATOM 1442 O GLY A 94 -5.810 -2.070 -2.555 1.00 0.00 O ATOM 0 H GLY A 94 -7.104 -3.774 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.501 -1.385 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.570 -2.125 0.070 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.967 -0.368 -1.075 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.651 0.224 -1.244 1.00 0.00 C ATOM 1448 C VAL A 95 -3.901 0.027 0.069 1.00 0.00 C ATOM 1449 O VAL A 95 -4.509 -0.183 1.120 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.802 1.714 -1.644 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.465 2.441 -1.826 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.591 1.928 -2.926 1.00 0.00 C ATOM 0 H VAL A 95 -6.569 0.191 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.082 -0.249 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.345 2.131 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.650 3.478 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.904 2.411 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.888 1.951 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.654 2.995 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.090 1.421 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.595 1.522 -2.807 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.579 0.086 0.000 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.663 -0.026 1.112 1.00 0.00 C ATOM 1464 C LEU A 96 -0.996 1.314 1.324 1.00 0.00 C ATOM 1465 O LEU A 96 -0.736 2.047 0.368 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.605 -1.080 0.789 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.156 -2.512 0.816 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -0.055 -3.456 0.334 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.620 -2.964 2.201 1.00 0.00 C ATOM 0 H LEU A 96 -2.095 0.221 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.199 -0.320 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.187 -0.876 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.212 -0.998 1.506 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.033 -2.534 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.424 -4.481 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.237 -3.186 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.809 -3.375 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.997 -3.985 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.781 -2.925 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.413 -2.304 2.552 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.708 1.601 2.583 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.222 2.882 3.078 1.00 0.00 C ATOM 1483 C VAL A 97 0.790 2.620 4.197 1.00 0.00 C ATOM 1484 O VAL A 97 0.781 1.520 4.768 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.425 3.726 3.548 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.326 4.123 2.363 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.285 3.015 4.610 1.00 0.00 C ATOM 0 H VAL A 97 -0.812 0.912 3.327 1.00 0.00 H new ATOM 0 HA VAL A 97 0.286 3.447 2.297 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.994 4.617 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.165 4.717 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.749 4.709 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.703 3.224 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.114 3.661 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.676 2.085 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.674 2.796 5.486 1.00 0.00 H new ATOM 1497 N PRO A 98 1.674 3.576 4.519 1.00 0.00 N ATOM 1498 CA PRO A 98 2.490 3.485 5.710 1.00 0.00 C ATOM 1499 C PRO A 98 1.567 3.586 6.929 1.00 0.00 C ATOM 1500 O PRO A 98 0.793 4.538 7.044 1.00 0.00 O ATOM 1501 CB PRO A 98 3.507 4.631 5.638 1.00 0.00 C ATOM 1502 CG PRO A 98 3.159 5.435 4.378 1.00 0.00 C ATOM 1503 CD PRO A 98 1.817 4.888 3.912 1.00 0.00 C ATOM 0 HA PRO A 98 3.032 2.543 5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.450 5.258 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.525 4.245 5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.095 6.501 4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.922 5.312 3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.003 5.547 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.783 4.818 2.825 1.00 0.00 H new ATOM 1511 N HIS A 99 1.624 2.607 7.833 1.00 0.00 N ATOM 1512 CA HIS A 99 1.077 2.783 9.166 1.00 0.00 C ATOM 1513 C HIS A 99 2.140 3.514 9.977 1.00 0.00 C ATOM 1514 O HIS A 99 3.292 3.082 10.002 1.00 0.00 O ATOM 1515 CB HIS A 99 0.714 1.452 9.836 1.00 0.00 C ATOM 1516 CG HIS A 99 0.053 1.623 11.188 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.224 0.804 12.279 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.818 2.613 11.566 1.00 0.00 C ATOM 1519 CE1 HIS A 99 -0.537 1.279 13.279 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -1.192 2.381 12.886 1.00 0.00 N ATOM 0 H HIS A 99 2.042 1.692 7.662 1.00 0.00 H new ATOM 0 HA HIS A 99 0.147 3.349 9.110 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.046 0.894 9.181 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.618 0.854 9.954 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.155 3.431 10.946 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.611 0.836 14.261 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.837 2.939 13.445 1.00 0.00 H new ATOM 1528 N VAL A 100 1.729 4.597 10.633 1.00 0.00 N ATOM 1529 CA VAL A 100 2.569 5.378 11.530 1.00 0.00 C ATOM 1530 C VAL A 100 1.833 5.592 12.855 1.00 0.00 C ATOM 1531 O VAL A 100 1.902 6.669 13.437 1.00 0.00 O ATOM 1532 CB VAL A 100 3.043 6.674 10.836 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.995 6.339 9.683 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.885 7.531 10.300 1.00 0.00 C ATOM 0 H VAL A 100 0.780 4.962 10.552 1.00 0.00 H new ATOM 0 HA VAL A 100 3.484 4.839 11.773 1.00 0.00 H new ATOM 0 HB VAL A 100 3.557 7.259 11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.322 7.261 9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.862 5.805 10.071 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.479 5.713 8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.285 8.426 9.824 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.315 6.956 9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.233 7.819 11.125 1.00 0.00 H new ATOM 1544 N GLY A 101 1.121 4.573 13.345 1.00 0.00 N ATOM 1545 CA GLY A 101 0.503 4.598 14.661 1.00 0.00 C ATOM 1546 C GLY A 101 -0.505 5.728 14.857 1.00 0.00 C ATOM 1547 O GLY A 101 -0.472 6.394 15.892 1.00 0.00 O ATOM 0 H GLY A 101 0.960 3.706 12.832 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.002 3.645 14.833 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.284 4.688 15.416 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.387 5.949 13.882 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.550 6.816 14.067 1.00 0.00 C ATOM 1553 C GLU A 102 -3.650 5.999 14.754 1.00 0.00 C ATOM 1554 O GLU A 102 -3.570 5.743 15.956 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.966 7.435 12.717 1.00 0.00 C ATOM 1556 CG GLU A 102 -1.913 8.394 12.131 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.657 9.648 12.979 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -2.601 10.230 13.563 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -0.481 10.062 13.085 1.00 0.00 O ATOM 0 H GLU A 102 -1.317 5.537 12.952 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.325 7.664 14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.155 6.634 12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.904 7.974 12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.974 7.854 12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.234 8.702 11.136 1.00 0.00 H new ATOM 1566 N THR A 103 -4.648 5.514 14.018 1.00 0.00 N ATOM 1567 CA THR A 103 -5.812 4.862 14.588 1.00 0.00 C ATOM 1568 C THR A 103 -6.373 3.901 13.531 1.00 0.00 C ATOM 1569 O THR A 103 -6.905 4.345 12.513 1.00 0.00 O ATOM 1570 CB THR A 103 -6.791 5.953 15.073 1.00 0.00 C ATOM 1571 OG1 THR A 103 -6.452 6.302 16.411 1.00 0.00 O ATOM 1572 CG2 THR A 103 -8.253 5.518 15.092 1.00 0.00 C ATOM 0 H THR A 103 -4.666 5.566 12.999 1.00 0.00 H new ATOM 0 HA THR A 103 -5.586 4.256 15.466 1.00 0.00 H new ATOM 0 HB THR A 103 -6.696 6.778 14.368 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.501 6.122 16.565 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.873 6.342 15.445 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.562 5.236 14.085 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.370 4.664 15.760 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.218 2.579 13.708 1.00 0.00 N ATOM 1581 CA PRO A 104 -6.991 1.605 12.960 1.00 0.00 C ATOM 1582 C PRO A 104 -8.451 1.615 13.410 1.00 0.00 C ATOM 1583 O PRO A 104 -8.752 1.794 14.599 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.362 0.237 13.248 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.116 0.528 14.094 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.344 1.922 14.657 1.00 0.00 C ATOM 0 HA PRO A 104 -6.978 1.834 11.894 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.057 -0.410 13.783 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.097 -0.276 12.323 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.999 -0.206 14.891 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.210 0.489 13.490 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.800 1.877 15.646 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.403 2.462 14.764 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.347 1.303 12.477 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.725 0.945 12.783 1.00 0.00 C ATOM 1596 C ILE A 105 -10.874 -0.576 12.910 1.00 0.00 C ATOM 1597 O ILE A 105 -11.682 -1.052 13.709 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.706 1.562 11.760 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.462 1.180 10.281 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.782 3.081 11.988 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.616 2.161 9.463 1.00 0.00 C ATOM 0 H ILE A 105 -9.133 1.292 11.480 1.00 0.00 H new ATOM 0 HA ILE A 105 -10.988 1.371 13.751 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.681 1.114 11.952 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.978 0.204 10.254 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.429 1.070 9.791 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.472 3.523 11.269 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.135 3.280 13.000 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.792 3.519 11.856 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.512 1.790 8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.104 3.136 9.446 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.629 2.257 9.916 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.087 -1.344 12.158 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.120 -2.795 12.093 1.00 0.00 C ATOM 1615 C ALA A 106 -8.742 -3.265 11.636 1.00 0.00 C ATOM 1616 O ALA A 106 -7.847 -2.450 11.430 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.227 -3.222 11.112 1.00 0.00 C ATOM 0 H ALA A 106 -9.374 -0.945 11.548 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.344 -3.244 13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.262 -4.310 11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.188 -2.846 11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.015 -2.813 10.124 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.567 -4.569 11.444 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.410 -5.177 10.806 1.00 0.00 C ATOM 1625 C TYR A 107 -7.911 -6.036 9.647 1.00 0.00 C ATOM 1626 O TYR A 107 -9.067 -6.479 9.642 1.00 0.00 O ATOM 1627 CB TYR A 107 -6.590 -5.987 11.825 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.523 -5.186 12.548 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -5.884 -4.097 13.365 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.161 -5.512 12.381 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -4.893 -3.324 13.989 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.163 -4.755 13.022 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.530 -3.660 13.836 1.00 0.00 C ATOM 1634 OH TYR A 107 -2.590 -2.905 14.466 1.00 0.00 O ATOM 0 H TYR A 107 -9.258 -5.257 11.742 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.737 -4.413 10.416 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.269 -6.414 12.563 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.114 -6.821 11.310 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.927 -3.856 13.512 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.882 -6.348 11.757 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.173 -2.470 14.588 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.122 -5.010 12.892 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.698 -3.260 14.267 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.057 -6.275 8.652 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.365 -7.050 7.458 1.00 0.00 C ATOM 1646 C ARG A 108 -6.305 -8.115 7.288 1.00 0.00 C ATOM 1647 O ARG A 108 -5.214 -7.852 6.771 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.473 -6.157 6.226 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.010 -6.904 4.994 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.527 -7.111 5.092 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.076 -7.583 3.814 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.166 -7.132 3.187 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -11.986 -6.274 3.782 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -11.387 -7.530 1.942 1.00 0.00 N ATOM 0 H ARG A 108 -6.100 -5.921 8.659 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.338 -7.528 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.129 -5.315 6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.491 -5.744 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.774 -6.340 4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.513 -7.870 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.749 -7.834 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.008 -6.175 5.375 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.569 -8.339 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.787 -5.951 4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.815 -5.937 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.732 -8.165 1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.212 -7.201 1.440 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.650 -9.312 7.728 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.893 -10.512 7.464 1.00 0.00 C ATOM 1670 C ASN A 109 -5.878 -10.814 5.962 1.00 0.00 C ATOM 1671 O ASN A 109 -6.853 -10.566 5.251 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.480 -11.674 8.281 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.940 -12.052 8.035 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -8.654 -11.488 7.208 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -8.415 -13.070 8.724 1.00 0.00 N ATOM 0 H ASN A 109 -7.484 -9.475 8.291 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.857 -10.371 7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.869 -12.557 8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -6.371 -11.429 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.372 -13.388 8.570 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.826 -13.540 9.411 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.768 -11.361 5.476 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.554 -11.874 4.123 1.00 0.00 C ATOM 1684 C VAL A 110 -3.459 -12.948 4.196 1.00 0.00 C ATOM 1685 O VAL A 110 -2.869 -13.163 5.257 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.139 -10.741 3.152 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.269 -9.754 2.828 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.909 -9.969 3.653 1.00 0.00 C ATOM 0 H VAL A 110 -3.935 -11.466 6.056 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.481 -12.299 3.739 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.885 -11.258 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.900 -8.991 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.097 -10.289 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.613 -9.280 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.656 -9.185 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.131 -9.520 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.066 -10.653 3.754 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.148 -13.617 3.087 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.866 -14.281 2.878 1.00 0.00 C ATOM 1700 C LEU A 111 -1.075 -13.473 1.845 1.00 0.00 C ATOM 1701 O LEU A 111 -1.658 -12.738 1.040 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.100 -15.682 2.297 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.543 -16.885 3.135 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.469 -17.450 4.053 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.834 -16.635 3.897 1.00 0.00 C ATOM 0 H LEU A 111 -3.789 -13.713 2.299 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.330 -14.354 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.845 -15.566 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.167 -15.973 1.813 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.737 -17.657 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.873 -18.298 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.617 -17.778 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.147 -16.680 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.095 -17.524 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.699 -15.792 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.635 -16.410 3.192 1.00 0.00 H new ATOM 1717 N LEU A 112 0.236 -13.688 1.830 1.00 0.00 N ATOM 1718 CA LEU A 112 1.256 -13.252 0.890 1.00 0.00 C ATOM 1719 C LEU A 112 1.733 -14.457 0.099 1.00 0.00 C ATOM 1720 O LEU A 112 1.809 -15.553 0.651 1.00 0.00 O ATOM 1721 CB LEU A 112 2.496 -12.740 1.648 1.00 0.00 C ATOM 1722 CG LEU A 112 2.956 -11.327 1.241 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.321 -11.050 1.877 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.117 -11.133 -0.279 1.00 0.00 C ATOM 0 H LEU A 112 0.659 -14.244 2.573 1.00 0.00 H new ATOM 0 HA LEU A 112 0.829 -12.473 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.280 -12.744 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.318 -13.437 1.486 1.00 0.00 H new ATOM 0 HG LEU A 112 2.177 -10.646 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.658 -10.052 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.236 -11.112 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.042 -11.788 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.443 -10.113 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.860 -11.834 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.162 -11.314 -0.772 1.00 0.00 H new ATOM 1736 N ARG A 113 2.160 -14.256 -1.144 1.00 0.00 N ATOM 1737 CA ARG A 113 2.831 -15.308 -1.894 1.00 0.00 C ATOM 1738 C ARG A 113 4.208 -15.570 -1.275 1.00 0.00 C ATOM 1739 O ARG A 113 4.856 -14.628 -0.804 1.00 0.00 O ATOM 1740 CB ARG A 113 2.911 -14.921 -3.368 1.00 0.00 C ATOM 1741 CG ARG A 113 1.497 -15.032 -3.967 1.00 0.00 C ATOM 1742 CD ARG A 113 1.369 -14.270 -5.278 1.00 0.00 C ATOM 1743 NE ARG A 113 1.559 -15.107 -6.470 1.00 0.00 N ATOM 1744 CZ ARG A 113 1.771 -14.667 -7.720 1.00 0.00 C ATOM 1745 NH1 ARG A 113 1.974 -13.387 -8.012 1.00 0.00 N ATOM 1746 NH2 ARG A 113 1.807 -15.526 -8.723 1.00 0.00 N ATOM 0 H ARG A 113 2.053 -13.377 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 113 2.265 -16.238 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.291 -13.905 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.602 -15.577 -3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.256 -16.082 -4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.770 -14.647 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.383 -13.807 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.101 -13.463 -5.292 1.00 0.00 H new ATOM 0 HE ARG A 113 1.527 -16.118 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.973 -12.688 -7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.131 -13.103 -8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.674 -16.522 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.968 -15.193 -9.674 1.00 0.00 H new