USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.181 (180deg=-0.986) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 CYS SG : rot 180:sc=0.000925 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 60:sc= -3.18! USER MOD Single : A 51 MET CE :methyl -177:sc= -0.0832 (180deg=-0.0956) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -178:sc= 0 (180deg=-0.0079) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -50:sc= 0.529 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -157:sc= -1.09 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0235 F(o=-3.2!,f=-0.023) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.34 F(o=-3!,f=-1.3) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.19 F(o=-1.2,f=-0.19) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -3.27 F(o=-5!,f=-3.3) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N ARG A 20 -13.226 -3.242 -15.184 1.00 0.00 N ATOM 68 CA ARG A 20 -13.923 -2.166 -14.431 1.00 0.00 C ATOM 69 C ARG A 20 -12.997 -0.948 -14.225 1.00 0.00 C ATOM 70 O ARG A 20 -11.808 -1.103 -14.033 1.00 0.00 O ATOM 71 CB ARG A 20 -14.311 -2.724 -13.053 1.00 0.00 C ATOM 72 CG ARG A 20 -13.039 -2.967 -12.239 1.00 0.00 C ATOM 73 CD ARG A 20 -13.393 -3.727 -10.957 1.00 0.00 C ATOM 74 NE ARG A 20 -12.953 -5.143 -11.095 1.00 0.00 N ATOM 75 CZ ARG A 20 -13.760 -6.103 -10.732 1.00 0.00 C ATOM 76 NH1 ARG A 20 -13.928 -6.338 -9.459 1.00 0.00 N ATOM 77 NH2 ARG A 20 -14.370 -6.795 -11.654 1.00 0.00 N ATOM 0 HA ARG A 20 -14.800 -1.846 -14.994 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.963 -2.022 -12.533 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.869 -3.654 -13.166 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.321 -3.539 -12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.565 -2.017 -11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.907 -3.264 -10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.467 -3.682 -10.777 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.030 -5.361 -11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.433 -5.776 -8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.555 -7.084 -9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.213 -6.582 -12.639 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.004 -7.549 -11.390 1.00 0.00 H new ATOM 91 N PRO A 21 -13.568 0.253 -14.275 1.00 0.00 N ATOM 92 CA PRO A 21 -12.786 1.484 -14.094 1.00 0.00 C ATOM 93 C PRO A 21 -12.192 1.585 -12.685 1.00 0.00 C ATOM 94 O PRO A 21 -11.002 1.770 -12.525 1.00 0.00 O ATOM 95 CB PRO A 21 -13.804 2.631 -14.301 1.00 0.00 C ATOM 96 CG PRO A 21 -15.213 1.981 -14.466 1.00 0.00 C ATOM 97 CD PRO A 21 -15.007 0.459 -14.533 1.00 0.00 C ATOM 0 HA PRO A 21 -11.946 1.516 -14.788 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.793 3.312 -13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.547 3.218 -15.183 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.859 2.245 -13.629 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.700 2.343 -15.371 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -15.618 -0.054 -13.790 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.293 0.065 -15.508 1.00 0.00 H new ATOM 105 N GLU A 22 -13.034 1.465 -11.693 1.00 0.00 N ATOM 106 CA GLU A 22 -12.542 1.553 -10.289 1.00 0.00 C ATOM 107 C GLU A 22 -11.222 0.805 -10.108 1.00 0.00 C ATOM 108 O GLU A 22 -10.393 1.194 -9.312 1.00 0.00 O ATOM 109 CB GLU A 22 -13.596 0.917 -9.370 1.00 0.00 C ATOM 110 CG GLU A 22 -13.987 -0.451 -9.928 1.00 0.00 C ATOM 111 CD GLU A 22 -15.152 -1.020 -9.113 1.00 0.00 C ATOM 112 OE1 GLU A 22 -14.940 -1.215 -7.928 1.00 0.00 O ATOM 113 OE2 GLU A 22 -16.189 -1.229 -9.724 1.00 0.00 O ATOM 0 H GLU A 22 -14.037 1.310 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.376 2.602 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.200 0.812 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.473 1.560 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.272 -0.360 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.135 -1.129 -9.887 1.00 0.00 H new ATOM 120 N GLU A 23 -11.051 -0.255 -10.846 1.00 0.00 N ATOM 121 CA GLU A 23 -9.788 -1.028 -10.717 1.00 0.00 C ATOM 122 C GLU A 23 -8.581 -0.147 -10.980 1.00 0.00 C ATOM 123 O GLU A 23 -7.719 0.001 -10.134 1.00 0.00 O ATOM 124 CB GLU A 23 -9.798 -2.165 -11.751 1.00 0.00 C ATOM 125 CG GLU A 23 -8.464 -2.921 -11.686 1.00 0.00 C ATOM 126 CD GLU A 23 -8.424 -3.972 -12.796 1.00 0.00 C ATOM 127 OE1 GLU A 23 -8.498 -3.555 -13.939 1.00 0.00 O ATOM 128 OE2 GLU A 23 -8.318 -5.134 -12.437 1.00 0.00 O ATOM 0 H GLU A 23 -11.722 -0.615 -11.524 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.722 -1.421 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.625 -2.846 -11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.952 -1.761 -12.752 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.633 -2.225 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.351 -3.399 -10.713 1.00 0.00 H new ATOM 135 N ILE A 24 -8.534 0.428 -12.148 1.00 0.00 N ATOM 136 CA ILE A 24 -7.384 1.299 -12.471 1.00 0.00 C ATOM 137 C ILE A 24 -7.262 2.428 -11.455 1.00 0.00 C ATOM 138 O ILE A 24 -6.171 2.857 -11.131 1.00 0.00 O ATOM 139 CB ILE A 24 -7.596 1.889 -13.865 1.00 0.00 C ATOM 140 CG1 ILE A 24 -7.605 0.757 -14.891 1.00 0.00 C ATOM 141 CG2 ILE A 24 -6.426 2.843 -14.182 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.204 1.303 -16.265 1.00 0.00 C ATOM 0 H ILE A 24 -9.236 0.331 -12.882 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.467 0.710 -12.442 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.542 2.429 -13.902 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.914 -0.029 -14.586 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.597 0.308 -14.943 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.565 3.271 -15.175 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.398 3.643 -13.442 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.487 2.290 -14.154 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.211 0.493 -16.995 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.912 2.074 -16.571 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.203 1.731 -16.208 1.00 0.00 H new ATOM 154 N GLU A 25 -8.381 2.891 -10.965 1.00 0.00 N ATOM 155 CA GLU A 25 -8.330 3.990 -9.973 1.00 0.00 C ATOM 156 C GLU A 25 -7.591 3.542 -8.724 1.00 0.00 C ATOM 157 O GLU A 25 -6.790 4.277 -8.179 1.00 0.00 O ATOM 158 CB GLU A 25 -9.767 4.382 -9.592 1.00 0.00 C ATOM 159 CG GLU A 25 -10.506 4.844 -10.847 1.00 0.00 C ATOM 160 CD GLU A 25 -9.677 5.920 -11.552 1.00 0.00 C ATOM 161 OE1 GLU A 25 -9.798 7.058 -11.132 1.00 0.00 O ATOM 162 OE2 GLU A 25 -8.968 5.541 -12.471 1.00 0.00 O ATOM 0 H GLU A 25 -9.314 2.558 -11.208 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.805 4.840 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.282 3.533 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.755 5.178 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.673 4.000 -11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.486 5.239 -10.581 1.00 0.00 H new ATOM 169 N GLU A 26 -7.867 2.341 -8.285 1.00 0.00 N ATOM 170 CA GLU A 26 -7.178 1.849 -7.073 1.00 0.00 C ATOM 171 C GLU A 26 -5.680 1.813 -7.316 1.00 0.00 C ATOM 172 O GLU A 26 -4.896 2.112 -6.439 1.00 0.00 O ATOM 173 CB GLU A 26 -7.674 0.426 -6.761 1.00 0.00 C ATOM 174 CG GLU A 26 -8.210 0.388 -5.327 1.00 0.00 C ATOM 175 CD GLU A 26 -9.495 1.214 -5.243 1.00 0.00 C ATOM 176 OE1 GLU A 26 -10.531 0.632 -5.520 1.00 0.00 O ATOM 177 OE2 GLU A 26 -9.368 2.381 -4.909 1.00 0.00 O ATOM 0 H GLU A 26 -8.531 1.694 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.392 2.513 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.456 0.138 -7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.861 -0.290 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.406 -0.642 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.464 0.784 -4.638 1.00 0.00 H new ATOM 184 N LEU A 27 -5.305 1.442 -8.510 1.00 0.00 N ATOM 185 CA LEU A 27 -3.863 1.385 -8.826 1.00 0.00 C ATOM 186 C LEU A 27 -3.272 2.775 -8.742 1.00 0.00 C ATOM 187 O LEU A 27 -2.345 3.018 -7.997 1.00 0.00 O ATOM 188 CB LEU A 27 -3.695 0.872 -10.262 1.00 0.00 C ATOM 189 CG LEU A 27 -3.557 -0.647 -10.242 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.927 -1.195 -11.617 1.00 0.00 C ATOM 191 CD2 LEU A 27 -2.105 -1.016 -9.925 1.00 0.00 C ATOM 0 H LEU A 27 -5.933 1.179 -9.269 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.359 0.725 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.554 1.163 -10.867 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.815 1.323 -10.721 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.216 -1.071 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.832 -2.281 -11.614 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.956 -0.922 -11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.259 -0.774 -12.368 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.000 -2.101 -9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.449 -0.599 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.831 -0.611 -8.951 1.00 0.00 H new ATOM 203 N ARG A 28 -3.825 3.667 -9.516 1.00 0.00 N ATOM 204 CA ARG A 28 -3.319 5.056 -9.502 1.00 0.00 C ATOM 205 C ARG A 28 -3.081 5.515 -8.076 1.00 0.00 C ATOM 206 O ARG A 28 -2.094 6.162 -7.787 1.00 0.00 O ATOM 207 CB ARG A 28 -4.374 5.960 -10.160 1.00 0.00 C ATOM 208 CG ARG A 28 -4.007 7.436 -9.915 1.00 0.00 C ATOM 209 CD ARG A 28 -4.649 7.937 -8.608 1.00 0.00 C ATOM 210 NE ARG A 28 -5.169 9.316 -8.828 1.00 0.00 N ATOM 211 CZ ARG A 28 -4.339 10.323 -8.815 1.00 0.00 C ATOM 212 NH1 ARG A 28 -3.107 10.119 -8.441 1.00 0.00 N ATOM 213 NH2 ARG A 28 -4.770 11.500 -9.180 1.00 0.00 N ATOM 0 H ARG A 28 -4.602 3.490 -10.153 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.376 5.109 -10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.425 5.759 -11.230 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.360 5.746 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.924 7.544 -9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.347 8.046 -10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.458 7.272 -8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.916 7.934 -7.802 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.164 9.471 -8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.806 9.184 -8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.444 10.894 -8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.741 11.621 -9.469 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.136 12.299 -9.176 1.00 0.00 H new ATOM 227 N GLU A 29 -3.990 5.171 -7.201 1.00 0.00 N ATOM 228 CA GLU A 29 -3.815 5.586 -5.794 1.00 0.00 C ATOM 229 C GLU A 29 -2.553 4.962 -5.237 1.00 0.00 C ATOM 230 O GLU A 29 -1.833 5.577 -4.479 1.00 0.00 O ATOM 231 CB GLU A 29 -5.021 5.091 -4.979 1.00 0.00 C ATOM 232 CG GLU A 29 -6.129 6.146 -5.022 1.00 0.00 C ATOM 233 CD GLU A 29 -7.435 5.525 -4.520 1.00 0.00 C ATOM 234 OE1 GLU A 29 -7.383 4.948 -3.447 1.00 0.00 O ATOM 235 OE2 GLU A 29 -8.411 5.663 -5.239 1.00 0.00 O ATOM 0 H GLU A 29 -4.830 4.629 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.741 6.672 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.386 4.147 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.724 4.901 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.858 7.001 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.256 6.516 -6.039 1.00 0.00 H new ATOM 242 N ALA A 30 -2.308 3.742 -5.626 1.00 0.00 N ATOM 243 CA ALA A 30 -1.096 3.057 -5.135 1.00 0.00 C ATOM 244 C ALA A 30 0.136 3.697 -5.755 1.00 0.00 C ATOM 245 O ALA A 30 0.990 4.209 -5.058 1.00 0.00 O ATOM 246 CB ALA A 30 -1.161 1.582 -5.557 1.00 0.00 C ATOM 0 H ALA A 30 -2.895 3.198 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.039 3.138 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.271 1.062 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.049 1.119 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.209 1.516 -6.644 1.00 0.00 H new ATOM 252 N PHE A 31 0.204 3.670 -7.062 1.00 0.00 N ATOM 253 CA PHE A 31 1.374 4.276 -7.734 1.00 0.00 C ATOM 254 C PHE A 31 1.625 5.657 -7.162 1.00 0.00 C ATOM 255 O PHE A 31 2.748 6.125 -7.101 1.00 0.00 O ATOM 256 CB PHE A 31 1.050 4.412 -9.237 1.00 0.00 C ATOM 257 CG PHE A 31 2.296 4.889 -9.995 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.743 6.196 -9.876 1.00 0.00 C ATOM 259 CD2 PHE A 31 2.994 4.016 -10.807 1.00 0.00 C ATOM 260 CE1 PHE A 31 3.870 6.612 -10.561 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.118 4.435 -11.489 1.00 0.00 C ATOM 262 CZ PHE A 31 4.555 5.729 -11.366 1.00 0.00 C ATOM 0 H PHE A 31 -0.495 3.258 -7.680 1.00 0.00 H new ATOM 0 HA PHE A 31 2.256 3.653 -7.584 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.716 3.454 -9.635 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.233 5.119 -9.380 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.209 6.892 -9.246 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.656 2.995 -10.909 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.214 7.631 -10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.655 3.743 -12.121 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.435 6.055 -11.900 1.00 0.00 H new ATOM 272 N ARG A 32 0.566 6.275 -6.729 1.00 0.00 N ATOM 273 CA ARG A 32 0.699 7.638 -6.148 1.00 0.00 C ATOM 274 C ARG A 32 0.978 7.574 -4.662 1.00 0.00 C ATOM 275 O ARG A 32 1.945 8.137 -4.193 1.00 0.00 O ATOM 276 CB ARG A 32 -0.613 8.376 -6.360 1.00 0.00 C ATOM 277 CG ARG A 32 -0.452 9.835 -5.921 1.00 0.00 C ATOM 278 CD ARG A 32 0.155 10.641 -7.072 1.00 0.00 C ATOM 279 NE ARG A 32 -0.909 11.491 -7.680 1.00 0.00 N ATOM 280 CZ ARG A 32 -1.429 12.467 -6.986 1.00 0.00 C ATOM 281 NH1 ARG A 32 -1.226 12.500 -5.697 1.00 0.00 N ATOM 282 NH2 ARG A 32 -2.133 13.376 -7.602 1.00 0.00 N ATOM 0 H ARG A 32 -0.382 5.899 -6.751 1.00 0.00 H new ATOM 0 HA ARG A 32 1.529 8.149 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.903 8.330 -7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.408 7.898 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.419 10.252 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.189 9.894 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.972 11.263 -6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.576 9.970 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.228 11.311 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.670 11.772 -5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.624 13.254 -5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.270 13.318 -8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.546 14.145 -7.075 1.00 0.00 H new ATOM 296 N GLU A 33 0.112 6.904 -3.937 1.00 0.00 N ATOM 297 CA GLU A 33 0.326 6.801 -2.477 1.00 0.00 C ATOM 298 C GLU A 33 1.782 6.502 -2.212 1.00 0.00 C ATOM 299 O GLU A 33 2.299 6.771 -1.145 1.00 0.00 O ATOM 300 CB GLU A 33 -0.531 5.648 -1.932 1.00 0.00 C ATOM 301 CG GLU A 33 -0.289 5.515 -0.426 1.00 0.00 C ATOM 302 CD GLU A 33 -0.590 6.852 0.254 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.474 7.526 -0.248 1.00 0.00 O ATOM 304 OE2 GLU A 33 0.082 7.125 1.234 1.00 0.00 O ATOM 0 H GLU A 33 -0.719 6.434 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 33 0.047 7.736 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.586 5.838 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.275 4.717 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.924 4.732 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.744 5.222 -0.236 1.00 0.00 H new ATOM 311 N PHE A 34 2.421 5.953 -3.208 1.00 0.00 N ATOM 312 CA PHE A 34 3.842 5.619 -3.069 1.00 0.00 C ATOM 313 C PHE A 34 4.695 6.750 -3.621 1.00 0.00 C ATOM 314 O PHE A 34 5.765 7.021 -3.116 1.00 0.00 O ATOM 315 CB PHE A 34 4.127 4.339 -3.865 1.00 0.00 C ATOM 316 CG PHE A 34 3.882 3.128 -2.965 1.00 0.00 C ATOM 317 CD1 PHE A 34 4.713 2.875 -1.888 1.00 0.00 C ATOM 318 CD2 PHE A 34 2.815 2.281 -3.204 1.00 0.00 C ATOM 319 CE1 PHE A 34 4.478 1.792 -1.065 1.00 0.00 C ATOM 320 CE2 PHE A 34 2.583 1.202 -2.381 1.00 0.00 C ATOM 321 CZ PHE A 34 3.413 0.957 -1.312 1.00 0.00 C ATOM 0 H PHE A 34 2.007 5.725 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 34 4.082 5.471 -2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.484 4.291 -4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.157 4.340 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.550 3.528 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.159 2.467 -4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.131 1.600 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.747 0.546 -2.575 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.229 0.110 -0.667 1.00 0.00 H new ATOM 331 N ASP A 35 4.206 7.408 -4.656 1.00 0.00 N ATOM 332 CA ASP A 35 4.994 8.516 -5.227 1.00 0.00 C ATOM 333 C ASP A 35 5.300 9.534 -4.138 1.00 0.00 C ATOM 334 O ASP A 35 4.439 10.284 -3.725 1.00 0.00 O ATOM 335 CB ASP A 35 4.169 9.186 -6.332 1.00 0.00 C ATOM 336 CG ASP A 35 4.962 10.357 -6.913 1.00 0.00 C ATOM 337 OD1 ASP A 35 5.888 10.068 -7.656 1.00 0.00 O ATOM 338 OD2 ASP A 35 4.599 11.472 -6.581 1.00 0.00 O ATOM 0 H ASP A 35 3.312 7.218 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 35 5.929 8.135 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.936 8.465 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.219 9.539 -5.930 1.00 0.00 H new ATOM 343 N LYS A 36 6.521 9.538 -3.696 1.00 0.00 N ATOM 344 CA LYS A 36 6.918 10.492 -2.629 1.00 0.00 C ATOM 345 C LYS A 36 6.565 11.924 -2.988 1.00 0.00 C ATOM 346 O LYS A 36 6.580 12.794 -2.139 1.00 0.00 O ATOM 347 CB LYS A 36 8.438 10.402 -2.442 1.00 0.00 C ATOM 348 CG LYS A 36 8.861 8.931 -2.404 1.00 0.00 C ATOM 349 CD LYS A 36 8.244 8.260 -1.174 1.00 0.00 C ATOM 350 CE LYS A 36 8.806 6.843 -1.037 1.00 0.00 C ATOM 351 NZ LYS A 36 10.027 6.845 -0.181 1.00 0.00 N ATOM 0 H LYS A 36 7.263 8.922 -4.027 1.00 0.00 H new ATOM 0 HA LYS A 36 6.381 10.227 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.947 10.917 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.732 10.900 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.535 8.423 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.948 8.854 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.467 8.840 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.159 8.226 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.052 6.187 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.046 6.444 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.395 5.876 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.751 7.455 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.787 7.206 0.765 1.00 0.00 H new ATOM 365 N ASP A 37 6.252 12.156 -4.226 1.00 0.00 N ATOM 366 CA ASP A 37 5.900 13.546 -4.621 1.00 0.00 C ATOM 367 C ASP A 37 5.721 13.668 -6.128 1.00 0.00 C ATOM 368 O ASP A 37 4.626 13.895 -6.607 1.00 0.00 O ATOM 369 CB ASP A 37 7.047 14.475 -4.183 1.00 0.00 C ATOM 370 CG ASP A 37 8.341 13.665 -4.071 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.455 12.718 -4.830 1.00 0.00 O ATOM 372 OD2 ASP A 37 9.143 14.041 -3.230 1.00 0.00 O ATOM 0 H ASP A 37 6.224 11.460 -4.971 1.00 0.00 H new ATOM 0 HA ASP A 37 4.960 13.819 -4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.172 15.283 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.810 14.937 -3.225 1.00 0.00 H new ATOM 377 N LYS A 38 6.794 13.522 -6.854 1.00 0.00 N ATOM 378 CA LYS A 38 6.689 13.629 -8.321 1.00 0.00 C ATOM 379 C LYS A 38 7.937 13.077 -9.008 1.00 0.00 C ATOM 380 O LYS A 38 8.858 13.812 -9.304 1.00 0.00 O ATOM 381 CB LYS A 38 6.535 15.114 -8.682 1.00 0.00 C ATOM 382 CG LYS A 38 5.992 15.224 -10.099 1.00 0.00 C ATOM 383 CD LYS A 38 6.209 16.651 -10.614 1.00 0.00 C ATOM 384 CE LYS A 38 5.206 17.595 -9.939 1.00 0.00 C ATOM 385 NZ LYS A 38 3.810 17.187 -10.253 1.00 0.00 N ATOM 0 H LYS A 38 7.729 13.335 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 38 5.831 13.048 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.860 15.604 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.497 15.622 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.495 14.509 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.931 14.977 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.228 16.974 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.083 16.682 -11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.359 17.586 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.377 18.617 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.178 18.008 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.764 16.828 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.510 16.440 -9.594 1.00 0.00 H new ATOM 399 N ASP A 39 7.934 11.783 -9.252 1.00 0.00 N ATOM 400 CA ASP A 39 9.092 11.150 -9.914 1.00 0.00 C ATOM 401 C ASP A 39 8.682 10.685 -11.292 1.00 0.00 C ATOM 402 O ASP A 39 9.503 10.288 -12.089 1.00 0.00 O ATOM 403 CB ASP A 39 9.517 9.931 -9.078 1.00 0.00 C ATOM 404 CG ASP A 39 10.070 10.412 -7.734 1.00 0.00 C ATOM 405 OD1 ASP A 39 10.077 11.618 -7.553 1.00 0.00 O ATOM 406 OD2 ASP A 39 10.455 9.546 -6.966 1.00 0.00 O ATOM 0 H ASP A 39 7.171 11.149 -9.015 1.00 0.00 H new ATOM 0 HA ASP A 39 9.915 11.859 -9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.666 9.269 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.273 9.355 -9.611 1.00 0.00 H new ATOM 411 N GLY A 40 7.398 10.747 -11.544 1.00 0.00 N ATOM 412 CA GLY A 40 6.880 10.315 -12.869 1.00 0.00 C ATOM 413 C GLY A 40 7.142 8.828 -13.087 1.00 0.00 C ATOM 414 O GLY A 40 6.543 8.212 -13.946 1.00 0.00 O ATOM 0 H GLY A 40 6.691 11.078 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.810 10.514 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.358 10.894 -13.659 1.00 0.00 H new ATOM 418 N TYR A 41 8.028 8.278 -12.306 1.00 0.00 N ATOM 419 CA TYR A 41 8.331 6.829 -12.470 1.00 0.00 C ATOM 420 C TYR A 41 8.793 6.205 -11.161 1.00 0.00 C ATOM 421 O TYR A 41 9.476 6.842 -10.381 1.00 0.00 O ATOM 422 CB TYR A 41 9.468 6.684 -13.496 1.00 0.00 C ATOM 423 CG TYR A 41 9.039 7.282 -14.839 1.00 0.00 C ATOM 424 CD1 TYR A 41 9.009 8.649 -15.020 1.00 0.00 C ATOM 425 CD2 TYR A 41 8.687 6.462 -15.891 1.00 0.00 C ATOM 426 CE1 TYR A 41 8.635 9.189 -16.234 1.00 0.00 C ATOM 427 CE2 TYR A 41 8.315 7.001 -17.105 1.00 0.00 C ATOM 428 CZ TYR A 41 8.285 8.369 -17.286 1.00 0.00 C ATOM 429 OH TYR A 41 7.909 8.907 -18.501 1.00 0.00 O ATOM 0 H TYR A 41 8.548 8.759 -11.572 1.00 0.00 H new ATOM 0 HA TYR A 41 7.423 6.322 -12.798 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.363 7.189 -13.133 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.724 5.632 -13.622 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.281 9.303 -14.204 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.703 5.390 -15.763 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.616 10.261 -16.361 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.045 6.347 -17.921 1.00 0.00 H new ATOM 0 HH TYR A 41 7.697 8.184 -19.127 1.00 0.00 H new ATOM 439 N ILE A 42 8.412 4.961 -10.941 1.00 0.00 N ATOM 440 CA ILE A 42 8.826 4.277 -9.685 1.00 0.00 C ATOM 441 C ILE A 42 9.901 3.245 -9.986 1.00 0.00 C ATOM 442 O ILE A 42 10.047 2.807 -11.119 1.00 0.00 O ATOM 443 CB ILE A 42 7.622 3.559 -9.055 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.653 3.110 -10.118 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.889 4.533 -8.122 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.393 2.582 -9.433 1.00 0.00 C ATOM 0 H ILE A 42 7.839 4.403 -11.575 1.00 0.00 H new ATOM 0 HA ILE A 42 9.213 5.027 -8.995 1.00 0.00 H new ATOM 0 HB ILE A 42 7.986 2.690 -8.506 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.405 3.940 -10.780 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.102 2.333 -10.736 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.033 4.031 -7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.569 4.867 -7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.544 5.395 -8.694 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.679 2.252 -10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.654 1.742 -8.789 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.946 3.374 -8.833 1.00 0.00 H new ATOM 458 N ASN A 43 10.638 2.878 -8.970 1.00 0.00 N ATOM 459 CA ASN A 43 11.714 1.875 -9.163 1.00 0.00 C ATOM 460 C ASN A 43 11.282 0.521 -8.627 1.00 0.00 C ATOM 461 O ASN A 43 10.389 0.430 -7.808 1.00 0.00 O ATOM 462 CB ASN A 43 12.950 2.340 -8.382 1.00 0.00 C ATOM 463 CG ASN A 43 13.514 3.603 -9.034 1.00 0.00 C ATOM 464 OD1 ASN A 43 13.214 4.709 -8.633 1.00 0.00 O ATOM 465 ND2 ASN A 43 14.334 3.484 -10.042 1.00 0.00 N ATOM 0 H ASN A 43 10.538 3.232 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 43 11.933 1.781 -10.227 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.684 2.540 -7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.705 1.554 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.719 4.317 -10.488 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.590 2.558 -10.384 1.00 0.00 H new ATOM 472 N CYS A 44 11.920 -0.509 -9.095 1.00 0.00 N ATOM 473 CA CYS A 44 11.557 -1.864 -8.620 1.00 0.00 C ATOM 474 C CYS A 44 11.623 -1.940 -7.101 1.00 0.00 C ATOM 475 O CYS A 44 11.044 -2.820 -6.495 1.00 0.00 O ATOM 476 CB CYS A 44 12.558 -2.865 -9.214 1.00 0.00 C ATOM 477 SG CYS A 44 14.320 -2.534 -8.955 1.00 0.00 S ATOM 0 H CYS A 44 12.673 -0.471 -9.782 1.00 0.00 H new ATOM 0 HA CYS A 44 10.539 -2.095 -8.934 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.336 -3.849 -8.801 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.380 -2.922 -10.288 1.00 0.00 H new ATOM 0 HG CYS A 44 15.025 -3.472 -9.516 1.00 0.00 H new ATOM 483 N ARG A 45 12.327 -1.017 -6.512 1.00 0.00 N ATOM 484 CA ARG A 45 12.443 -1.018 -5.033 1.00 0.00 C ATOM 485 C ARG A 45 11.143 -0.567 -4.390 1.00 0.00 C ATOM 486 O ARG A 45 10.784 -1.021 -3.321 1.00 0.00 O ATOM 487 CB ARG A 45 13.556 -0.034 -4.640 1.00 0.00 C ATOM 488 CG ARG A 45 14.136 -0.439 -3.284 1.00 0.00 C ATOM 489 CD ARG A 45 14.999 -1.691 -3.457 1.00 0.00 C ATOM 490 NE ARG A 45 16.169 -1.603 -2.539 1.00 0.00 N ATOM 491 CZ ARG A 45 15.980 -1.276 -1.291 1.00 0.00 C ATOM 492 NH1 ARG A 45 15.592 -2.194 -0.450 1.00 0.00 N ATOM 493 NH2 ARG A 45 16.184 -0.039 -0.925 1.00 0.00 N ATOM 0 H ARG A 45 12.825 -0.266 -6.990 1.00 0.00 H new ATOM 0 HA ARG A 45 12.669 -2.028 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.340 -0.033 -5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.159 0.980 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.734 0.375 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.331 -0.633 -2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.415 -2.585 -3.238 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.336 -1.776 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 45 17.109 -1.797 -2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.441 -3.150 -0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.439 -1.956 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.486 0.653 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.041 0.235 0.047 1.00 0.00 H new ATOM 507 N ASP A 46 10.459 0.316 -5.052 1.00 0.00 N ATOM 508 CA ASP A 46 9.180 0.811 -4.498 1.00 0.00 C ATOM 509 C ASP A 46 8.078 -0.225 -4.654 1.00 0.00 C ATOM 510 O ASP A 46 7.427 -0.588 -3.695 1.00 0.00 O ATOM 511 CB ASP A 46 8.782 2.078 -5.272 1.00 0.00 C ATOM 512 CG ASP A 46 7.744 2.861 -4.467 1.00 0.00 C ATOM 513 OD1 ASP A 46 6.677 2.303 -4.275 1.00 0.00 O ATOM 514 OD2 ASP A 46 8.078 3.972 -4.093 1.00 0.00 O ATOM 0 H ASP A 46 10.731 0.715 -5.951 1.00 0.00 H new ATOM 0 HA ASP A 46 9.309 1.019 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.660 2.697 -5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.375 1.809 -6.247 1.00 0.00 H new ATOM 519 N LEU A 47 7.883 -0.687 -5.858 1.00 0.00 N ATOM 520 CA LEU A 47 6.824 -1.696 -6.079 1.00 0.00 C ATOM 521 C LEU A 47 6.914 -2.830 -5.075 1.00 0.00 C ATOM 522 O LEU A 47 5.908 -3.249 -4.540 1.00 0.00 O ATOM 523 CB LEU A 47 6.975 -2.257 -7.488 1.00 0.00 C ATOM 524 CG LEU A 47 6.211 -1.353 -8.447 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.032 -0.085 -8.703 1.00 0.00 C ATOM 526 CD2 LEU A 47 5.994 -2.081 -9.755 1.00 0.00 C ATOM 0 H LEU A 47 8.408 -0.410 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 47 5.854 -1.215 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.028 -2.304 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.587 -3.275 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 47 5.247 -1.087 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.491 0.567 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.198 0.437 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.992 -0.356 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.447 -1.437 -10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.959 -2.342 -10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.419 -2.990 -9.575 1.00 0.00 H new ATOM 538 N GLY A 48 8.106 -3.330 -4.844 1.00 0.00 N ATOM 539 CA GLY A 48 8.236 -4.442 -3.863 1.00 0.00 C ATOM 540 C GLY A 48 7.384 -4.119 -2.642 1.00 0.00 C ATOM 541 O GLY A 48 6.701 -4.975 -2.102 1.00 0.00 O ATOM 0 H GLY A 48 8.973 -3.021 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.913 -5.381 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.279 -4.570 -3.573 1.00 0.00 H new ATOM 545 N ASN A 49 7.431 -2.876 -2.241 1.00 0.00 N ATOM 546 CA ASN A 49 6.635 -2.469 -1.069 1.00 0.00 C ATOM 547 C ASN A 49 5.181 -2.284 -1.477 1.00 0.00 C ATOM 548 O ASN A 49 4.282 -2.449 -0.676 1.00 0.00 O ATOM 549 CB ASN A 49 7.180 -1.134 -0.538 1.00 0.00 C ATOM 550 CG ASN A 49 8.217 -1.406 0.558 1.00 0.00 C ATOM 551 OD1 ASN A 49 8.041 -1.033 1.701 1.00 0.00 O ATOM 552 ND2 ASN A 49 9.310 -2.050 0.251 1.00 0.00 N ATOM 0 H ASN A 49 7.984 -2.138 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 49 6.701 -3.237 -0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.634 -0.565 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.365 -0.528 -0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.010 -2.237 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.464 -2.366 -0.707 1.00 0.00 H new ATOM 559 N CYS A 50 4.970 -1.945 -2.733 1.00 0.00 N ATOM 560 CA CYS A 50 3.582 -1.752 -3.199 1.00 0.00 C ATOM 561 C CYS A 50 2.933 -3.100 -3.406 1.00 0.00 C ATOM 562 O CYS A 50 1.777 -3.301 -3.087 1.00 0.00 O ATOM 563 CB CYS A 50 3.611 -1.001 -4.541 1.00 0.00 C ATOM 564 SG CYS A 50 2.127 -0.079 -5.012 1.00 0.00 S ATOM 0 H CYS A 50 5.696 -1.799 -3.434 1.00 0.00 H new ATOM 0 HA CYS A 50 3.019 -1.182 -2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.448 -0.303 -4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.821 -1.725 -5.328 1.00 0.00 H new ATOM 0 HG CYS A 50 1.871 0.821 -4.110 1.00 0.00 H new ATOM 570 N MET A 51 3.698 -4.007 -3.940 1.00 0.00 N ATOM 571 CA MET A 51 3.172 -5.354 -4.183 1.00 0.00 C ATOM 572 C MET A 51 2.695 -5.961 -2.874 1.00 0.00 C ATOM 573 O MET A 51 1.646 -6.576 -2.811 1.00 0.00 O ATOM 574 CB MET A 51 4.317 -6.207 -4.754 1.00 0.00 C ATOM 575 CG MET A 51 4.712 -5.668 -6.139 1.00 0.00 C ATOM 576 SD MET A 51 4.660 -6.832 -7.526 1.00 0.00 S ATOM 577 CE MET A 51 4.903 -5.621 -8.851 1.00 0.00 C ATOM 0 H MET A 51 4.669 -3.862 -4.217 1.00 0.00 H new ATOM 0 HA MET A 51 2.334 -5.316 -4.879 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.175 -6.180 -4.083 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.006 -7.249 -4.832 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.055 -4.831 -6.376 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.724 -5.269 -6.070 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.851 -6.123 -9.817 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.125 -4.860 -8.796 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.880 -5.150 -8.739 1.00 0.00 H new ATOM 587 N ARG A 52 3.478 -5.773 -1.841 1.00 0.00 N ATOM 588 CA ARG A 52 3.091 -6.328 -0.527 1.00 0.00 C ATOM 589 C ARG A 52 1.852 -5.605 0.002 1.00 0.00 C ATOM 590 O ARG A 52 1.004 -6.200 0.637 1.00 0.00 O ATOM 591 CB ARG A 52 4.278 -6.128 0.444 1.00 0.00 C ATOM 592 CG ARG A 52 3.765 -5.925 1.882 1.00 0.00 C ATOM 593 CD ARG A 52 3.471 -4.436 2.133 1.00 0.00 C ATOM 594 NE ARG A 52 3.775 -4.118 3.558 1.00 0.00 N ATOM 595 CZ ARG A 52 4.800 -3.362 3.842 1.00 0.00 C ATOM 596 NH1 ARG A 52 5.975 -3.690 3.378 1.00 0.00 N ATOM 597 NH2 ARG A 52 4.617 -2.300 4.579 1.00 0.00 N ATOM 0 H ARG A 52 4.360 -5.262 -1.859 1.00 0.00 H new ATOM 0 HA ARG A 52 2.854 -7.388 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.938 -6.994 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.867 -5.264 0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.862 -6.514 2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.508 -6.282 2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.075 -3.816 1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.427 -4.215 1.912 1.00 0.00 H new ATOM 0 HE ARG A 52 3.187 -4.488 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.081 -4.526 2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.787 -3.110 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.684 -2.073 4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.407 -1.698 4.811 1.00 0.00 H new ATOM 611 N THR A 53 1.766 -4.330 -0.281 1.00 0.00 N ATOM 612 CA THR A 53 0.593 -3.555 0.195 1.00 0.00 C ATOM 613 C THR A 53 -0.652 -3.925 -0.606 1.00 0.00 C ATOM 614 O THR A 53 -1.761 -3.670 -0.181 1.00 0.00 O ATOM 615 CB THR A 53 0.889 -2.057 0.004 1.00 0.00 C ATOM 616 OG1 THR A 53 1.279 -1.588 1.278 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.395 -1.272 -0.318 1.00 0.00 C ATOM 0 H THR A 53 2.454 -3.800 -0.817 1.00 0.00 H new ATOM 0 HA THR A 53 0.412 -3.781 1.246 1.00 0.00 H new ATOM 0 HB THR A 53 1.621 -1.929 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.485 -0.631 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.154 -0.217 -0.447 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.837 -1.658 -1.236 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.105 -1.384 0.501 1.00 0.00 H new ATOM 625 N MET A 54 -0.436 -4.521 -1.756 1.00 0.00 N ATOM 626 CA MET A 54 -1.580 -4.923 -2.611 1.00 0.00 C ATOM 627 C MET A 54 -1.408 -6.360 -3.081 1.00 0.00 C ATOM 628 O MET A 54 -1.932 -6.751 -4.105 1.00 0.00 O ATOM 629 CB MET A 54 -1.620 -4.002 -3.842 1.00 0.00 C ATOM 630 CG MET A 54 -2.979 -4.147 -4.538 1.00 0.00 C ATOM 631 SD MET A 54 -4.111 -2.737 -4.457 1.00 0.00 S ATOM 632 CE MET A 54 -4.779 -3.070 -2.805 1.00 0.00 C ATOM 0 H MET A 54 0.486 -4.743 -2.132 1.00 0.00 H new ATOM 0 HA MET A 54 -2.503 -4.843 -2.037 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.461 -2.966 -3.541 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.816 -4.261 -4.531 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.797 -4.373 -5.589 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.486 -5.011 -4.109 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.538 -2.326 -2.563 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.226 -4.064 -2.787 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.975 -3.021 -2.071 1.00 0.00 H new ATOM 642 N GLY A 55 -0.673 -7.124 -2.323 1.00 0.00 N ATOM 643 CA GLY A 55 -0.455 -8.541 -2.712 1.00 0.00 C ATOM 644 C GLY A 55 -0.327 -9.422 -1.470 1.00 0.00 C ATOM 645 O GLY A 55 0.350 -10.429 -1.493 1.00 0.00 O ATOM 0 H GLY A 55 -0.218 -6.831 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.285 -8.888 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.447 -8.623 -3.318 1.00 0.00 H new ATOM 649 N TYR A 56 -0.972 -9.016 -0.404 1.00 0.00 N ATOM 650 CA TYR A 56 -0.901 -9.818 0.847 1.00 0.00 C ATOM 651 C TYR A 56 0.512 -9.861 1.397 1.00 0.00 C ATOM 652 O TYR A 56 1.138 -8.836 1.588 1.00 0.00 O ATOM 653 CB TYR A 56 -1.364 -11.252 0.531 1.00 0.00 C ATOM 654 CG TYR A 56 -2.480 -11.197 -0.512 1.00 0.00 C ATOM 655 CD1 TYR A 56 -3.306 -10.096 -0.596 1.00 0.00 C ATOM 656 CD2 TYR A 56 -2.677 -12.247 -1.387 1.00 0.00 C ATOM 657 CE1 TYR A 56 -4.313 -10.043 -1.537 1.00 0.00 C ATOM 658 CE2 TYR A 56 -3.685 -12.195 -2.328 1.00 0.00 C ATOM 659 CZ TYR A 56 -4.510 -11.092 -2.410 1.00 0.00 C ATOM 660 OH TYR A 56 -5.518 -11.040 -3.350 1.00 0.00 O ATOM 0 H TYR A 56 -1.539 -8.170 -0.350 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.542 -9.356 1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.528 -11.843 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.720 -11.741 1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.163 -9.267 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.037 -13.116 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.952 -9.174 -1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.829 -13.024 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.512 -11.863 -3.882 1.00 0.00 H new ATOM 670 N MET A 57 0.976 -11.050 1.650 1.00 0.00 N ATOM 671 CA MET A 57 2.355 -11.220 2.196 1.00 0.00 C ATOM 672 C MET A 57 3.250 -12.008 1.227 1.00 0.00 C ATOM 673 O MET A 57 3.505 -13.178 1.429 1.00 0.00 O ATOM 674 CB MET A 57 2.243 -12.021 3.504 1.00 0.00 C ATOM 675 CG MET A 57 3.580 -11.970 4.244 1.00 0.00 C ATOM 676 SD MET A 57 4.020 -10.415 5.059 1.00 0.00 S ATOM 677 CE MET A 57 5.645 -10.925 5.673 1.00 0.00 C ATOM 0 H MET A 57 0.460 -11.917 1.503 1.00 0.00 H new ATOM 0 HA MET A 57 2.798 -10.236 2.352 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.452 -11.608 4.130 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.973 -13.055 3.289 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.578 -12.757 4.998 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.369 -12.212 3.532 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.104 -10.100 6.218 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.530 -11.780 6.339 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.281 -11.203 4.832 1.00 0.00 H new ATOM 687 N PRO A 58 3.714 -11.340 0.185 1.00 0.00 N ATOM 688 CA PRO A 58 4.575 -11.980 -0.806 1.00 0.00 C ATOM 689 C PRO A 58 5.871 -12.470 -0.167 1.00 0.00 C ATOM 690 O PRO A 58 5.970 -12.566 1.040 1.00 0.00 O ATOM 691 CB PRO A 58 4.886 -10.872 -1.839 1.00 0.00 C ATOM 692 CG PRO A 58 4.141 -9.583 -1.375 1.00 0.00 C ATOM 693 CD PRO A 58 3.408 -9.926 -0.067 1.00 0.00 C ATOM 0 HA PRO A 58 4.094 -12.850 -1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.960 -10.694 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.555 -11.170 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.846 -8.767 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.435 -9.252 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.751 -9.296 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.334 -9.766 -0.164 1.00 0.00 H new ATOM 701 N THR A 59 6.841 -12.773 -0.985 1.00 0.00 N ATOM 702 CA THR A 59 8.131 -13.257 -0.432 1.00 0.00 C ATOM 703 C THR A 59 9.034 -12.091 -0.066 1.00 0.00 C ATOM 704 O THR A 59 8.564 -11.028 0.290 1.00 0.00 O ATOM 705 CB THR A 59 8.828 -14.102 -1.500 1.00 0.00 C ATOM 706 OG1 THR A 59 9.388 -13.173 -2.407 1.00 0.00 O ATOM 707 CG2 THR A 59 7.803 -14.884 -2.332 1.00 0.00 C ATOM 0 H THR A 59 6.795 -12.707 -2.002 1.00 0.00 H new ATOM 0 HA THR A 59 7.935 -13.843 0.466 1.00 0.00 H new ATOM 0 HB THR A 59 9.536 -14.783 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.705 -12.523 -2.673 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.322 -15.477 -3.085 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.232 -15.545 -1.679 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.125 -14.186 -2.824 1.00 0.00 H new ATOM 715 N GLU A 60 10.321 -12.322 -0.158 1.00 0.00 N ATOM 716 CA GLU A 60 11.297 -11.252 0.175 1.00 0.00 C ATOM 717 C GLU A 60 12.233 -11.000 -0.998 1.00 0.00 C ATOM 718 O GLU A 60 13.294 -10.432 -0.838 1.00 0.00 O ATOM 719 CB GLU A 60 12.130 -11.721 1.380 1.00 0.00 C ATOM 720 CG GLU A 60 11.237 -11.758 2.624 1.00 0.00 C ATOM 721 CD GLU A 60 10.967 -10.328 3.096 1.00 0.00 C ATOM 722 OE1 GLU A 60 11.847 -9.512 2.880 1.00 0.00 O ATOM 723 OE2 GLU A 60 9.896 -10.134 3.646 1.00 0.00 O ATOM 0 H GLU A 60 10.733 -13.208 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 60 10.761 -10.330 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.547 -12.710 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.971 -11.046 1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.297 -12.261 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.721 -12.329 3.416 1.00 0.00 H new ATOM 730 N MET A 61 11.821 -11.426 -2.162 1.00 0.00 N ATOM 731 CA MET A 61 12.675 -11.218 -3.354 1.00 0.00 C ATOM 732 C MET A 61 11.945 -11.615 -4.628 1.00 0.00 C ATOM 733 O MET A 61 12.419 -11.366 -5.716 1.00 0.00 O ATOM 734 CB MET A 61 13.922 -12.095 -3.211 1.00 0.00 C ATOM 735 CG MET A 61 13.490 -13.540 -2.963 1.00 0.00 C ATOM 736 SD MET A 61 14.789 -14.745 -2.596 1.00 0.00 S ATOM 737 CE MET A 61 14.907 -14.416 -0.820 1.00 0.00 C ATOM 0 H MET A 61 10.937 -11.905 -2.333 1.00 0.00 H new ATOM 0 HA MET A 61 12.937 -10.162 -3.420 1.00 0.00 H new ATOM 0 HB2 MET A 61 14.530 -12.034 -4.113 1.00 0.00 H new ATOM 0 HB3 MET A 61 14.539 -11.740 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.783 -13.543 -2.133 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.949 -13.886 -3.844 1.00 0.00 H new ATOM 0 HE1 MET A 61 15.666 -15.063 -0.380 1.00 0.00 H new ATOM 0 HE2 MET A 61 15.182 -13.373 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.944 -14.613 -0.349 1.00 0.00 H new ATOM 747 N GLU A 62 10.809 -12.236 -4.477 1.00 0.00 N ATOM 748 CA GLU A 62 10.055 -12.647 -5.682 1.00 0.00 C ATOM 749 C GLU A 62 9.482 -11.433 -6.397 1.00 0.00 C ATOM 750 O GLU A 62 9.642 -11.284 -7.597 1.00 0.00 O ATOM 751 CB GLU A 62 8.900 -13.566 -5.257 1.00 0.00 C ATOM 752 CG GLU A 62 8.290 -14.209 -6.506 1.00 0.00 C ATOM 753 CD GLU A 62 7.311 -15.306 -6.086 1.00 0.00 C ATOM 754 OE1 GLU A 62 7.382 -15.682 -4.928 1.00 0.00 O ATOM 755 OE2 GLU A 62 6.549 -15.710 -6.949 1.00 0.00 O ATOM 0 H GLU A 62 10.379 -12.472 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 62 10.731 -13.168 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.262 -14.336 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.143 -12.995 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.775 -13.455 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.076 -14.629 -7.133 1.00 0.00 H new ATOM 762 N LEU A 63 8.824 -10.576 -5.661 1.00 0.00 N ATOM 763 CA LEU A 63 8.254 -9.383 -6.323 1.00 0.00 C ATOM 764 C LEU A 63 9.333 -8.732 -7.165 1.00 0.00 C ATOM 765 O LEU A 63 9.052 -8.054 -8.134 1.00 0.00 O ATOM 766 CB LEU A 63 7.742 -8.373 -5.262 1.00 0.00 C ATOM 767 CG LEU A 63 8.311 -8.716 -3.884 1.00 0.00 C ATOM 768 CD1 LEU A 63 9.824 -8.556 -3.923 1.00 0.00 C ATOM 769 CD2 LEU A 63 7.728 -7.748 -2.847 1.00 0.00 C ATOM 0 H LEU A 63 8.663 -10.652 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 63 7.416 -9.682 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.035 -7.361 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.653 -8.392 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 63 8.053 -9.741 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.241 -8.798 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.242 -9.229 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.075 -7.527 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.129 -7.986 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.998 -6.726 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.642 -7.844 -2.830 1.00 0.00 H new ATOM 781 N ILE A 64 10.562 -8.955 -6.773 1.00 0.00 N ATOM 782 CA ILE A 64 11.679 -8.379 -7.515 1.00 0.00 C ATOM 783 C ILE A 64 11.830 -9.089 -8.855 1.00 0.00 C ATOM 784 O ILE A 64 12.013 -8.458 -9.868 1.00 0.00 O ATOM 785 CB ILE A 64 12.948 -8.573 -6.654 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.581 -7.231 -6.386 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.977 -9.455 -7.400 1.00 0.00 C ATOM 788 CD1 ILE A 64 12.645 -6.397 -5.517 1.00 0.00 C ATOM 0 H ILE A 64 10.822 -9.518 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 64 11.513 -7.320 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 64 12.662 -9.056 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.540 -7.362 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.779 -6.715 -7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.865 -9.582 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.537 -10.430 -7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.255 -8.975 -8.338 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.099 -5.426 -5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.697 -6.256 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.469 -6.912 -4.573 1.00 0.00 H new ATOM 800 N GLU A 65 11.750 -10.395 -8.837 1.00 0.00 N ATOM 801 CA GLU A 65 11.889 -11.130 -10.109 1.00 0.00 C ATOM 802 C GLU A 65 10.973 -10.517 -11.144 1.00 0.00 C ATOM 803 O GLU A 65 11.310 -10.437 -12.309 1.00 0.00 O ATOM 804 CB GLU A 65 11.494 -12.603 -9.891 1.00 0.00 C ATOM 805 CG GLU A 65 12.700 -13.370 -9.341 1.00 0.00 C ATOM 806 CD GLU A 65 12.411 -14.872 -9.397 1.00 0.00 C ATOM 807 OE1 GLU A 65 11.714 -15.322 -8.503 1.00 0.00 O ATOM 808 OE2 GLU A 65 12.904 -15.484 -10.331 1.00 0.00 O ATOM 0 H GLU A 65 11.597 -10.968 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 65 12.922 -11.073 -10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.658 -12.669 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.163 -13.046 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.591 -13.137 -9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.903 -13.065 -8.314 1.00 0.00 H new ATOM 815 N LEU A 66 9.822 -10.091 -10.701 1.00 0.00 N ATOM 816 CA LEU A 66 8.870 -9.474 -11.649 1.00 0.00 C ATOM 817 C LEU A 66 9.387 -8.115 -12.081 1.00 0.00 C ATOM 818 O LEU A 66 9.707 -7.897 -13.245 1.00 0.00 O ATOM 819 CB LEU A 66 7.521 -9.294 -10.940 1.00 0.00 C ATOM 820 CG LEU A 66 7.189 -10.568 -10.160 1.00 0.00 C ATOM 821 CD1 LEU A 66 5.744 -10.491 -9.662 1.00 0.00 C ATOM 822 CD2 LEU A 66 7.340 -11.781 -11.082 1.00 0.00 C ATOM 0 H LEU A 66 9.507 -10.145 -9.732 1.00 0.00 H new ATOM 0 HA LEU A 66 8.757 -10.112 -12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.563 -8.440 -10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.738 -9.085 -11.669 1.00 0.00 H new ATOM 0 HG LEU A 66 7.867 -10.666 -9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.502 -11.396 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.629 -9.624 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.070 -10.398 -10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.104 -12.690 -10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.658 -11.683 -11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.365 -11.835 -11.448 1.00 0.00 H new ATOM 834 N SER A 67 9.474 -7.217 -11.142 1.00 0.00 N ATOM 835 CA SER A 67 9.966 -5.882 -11.490 1.00 0.00 C ATOM 836 C SER A 67 11.325 -6.007 -12.138 1.00 0.00 C ATOM 837 O SER A 67 11.732 -5.161 -12.908 1.00 0.00 O ATOM 838 CB SER A 67 10.074 -5.056 -10.208 1.00 0.00 C ATOM 839 OG SER A 67 11.181 -5.618 -9.524 1.00 0.00 O ATOM 0 H SER A 67 9.226 -7.358 -10.163 1.00 0.00 H new ATOM 0 HA SER A 67 9.284 -5.394 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.235 -4.000 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.163 -5.123 -9.613 1.00 0.00 H new ATOM 0 HG SER A 67 11.110 -5.418 -8.567 1.00 0.00 H new ATOM 845 N GLN A 68 12.006 -7.070 -11.813 1.00 0.00 N ATOM 846 CA GLN A 68 13.337 -7.278 -12.398 1.00 0.00 C ATOM 847 C GLN A 68 13.157 -7.724 -13.824 1.00 0.00 C ATOM 848 O GLN A 68 13.972 -7.447 -14.681 1.00 0.00 O ATOM 849 CB GLN A 68 14.062 -8.379 -11.615 1.00 0.00 C ATOM 850 CG GLN A 68 15.409 -8.660 -12.281 1.00 0.00 C ATOM 851 CD GLN A 68 16.203 -9.646 -11.421 1.00 0.00 C ATOM 852 OE1 GLN A 68 15.926 -9.743 -10.149 1.00 0.00 O flip ATOM 853 NE2 GLN A 68 17.081 -10.335 -11.900 1.00 0.00 N flip ATOM 0 H GLN A 68 11.691 -7.795 -11.169 1.00 0.00 H new ATOM 0 HA GLN A 68 13.920 -6.358 -12.357 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.211 -8.069 -10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.457 -9.285 -11.592 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.256 -9.072 -13.279 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.969 -7.732 -12.402 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.301 -10.263 -12.893 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.598 -10.986 -11.309 1.00 0.00 H new ATOM 862 N GLN A 69 12.071 -8.422 -14.056 1.00 0.00 N ATOM 863 CA GLN A 69 11.803 -8.900 -15.417 1.00 0.00 C ATOM 864 C GLN A 69 11.834 -7.720 -16.357 1.00 0.00 C ATOM 865 O GLN A 69 12.311 -7.817 -17.470 1.00 0.00 O ATOM 866 CB GLN A 69 10.403 -9.536 -15.449 1.00 0.00 C ATOM 867 CG GLN A 69 10.333 -10.542 -16.598 1.00 0.00 C ATOM 868 CD GLN A 69 10.799 -11.913 -16.099 1.00 0.00 C ATOM 869 OE1 GLN A 69 11.340 -12.007 -14.914 1.00 0.00 O flip ATOM 870 NE2 GLN A 69 10.675 -12.911 -16.782 1.00 0.00 N flip ATOM 0 H GLN A 69 11.372 -8.672 -13.356 1.00 0.00 H new ATOM 0 HA GLN A 69 12.551 -9.634 -15.717 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.195 -10.033 -14.502 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.643 -8.765 -15.578 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.313 -10.608 -16.978 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.960 -10.211 -17.425 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.253 -12.846 -17.709 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.992 -13.814 -16.429 1.00 0.00 H new ATOM 879 N ILE A 70 11.314 -6.609 -15.889 1.00 0.00 N ATOM 880 CA ILE A 70 11.308 -5.399 -16.748 1.00 0.00 C ATOM 881 C ILE A 70 12.659 -5.235 -17.426 1.00 0.00 C ATOM 882 O ILE A 70 12.739 -4.942 -18.603 1.00 0.00 O ATOM 883 CB ILE A 70 11.064 -4.172 -15.868 1.00 0.00 C ATOM 884 CG1 ILE A 70 9.660 -4.209 -15.298 1.00 0.00 C ATOM 885 CG2 ILE A 70 11.199 -2.906 -16.735 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.418 -2.914 -14.520 1.00 0.00 C ATOM 0 H ILE A 70 10.901 -6.495 -14.963 1.00 0.00 H new ATOM 0 HA ILE A 70 10.527 -5.500 -17.502 1.00 0.00 H new ATOM 0 HB ILE A 70 11.789 -4.167 -15.054 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.928 -4.312 -16.099 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.539 -5.072 -14.644 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.027 -2.023 -16.119 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.201 -2.862 -17.161 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.464 -2.936 -17.539 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.411 -2.923 -14.102 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.145 -2.834 -13.712 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.525 -2.061 -15.191 1.00 0.00 H new ATOM 898 N ASN A 71 13.705 -5.426 -16.662 1.00 0.00 N ATOM 899 CA ASN A 71 15.062 -5.286 -17.236 1.00 0.00 C ATOM 900 C ASN A 71 15.150 -5.989 -18.580 1.00 0.00 C ATOM 901 O ASN A 71 15.928 -5.611 -19.432 1.00 0.00 O ATOM 902 CB ASN A 71 16.069 -5.928 -16.270 1.00 0.00 C ATOM 903 CG ASN A 71 17.490 -5.611 -16.745 1.00 0.00 C ATOM 904 OD1 ASN A 71 17.927 -4.383 -16.659 1.00 0.00 O flip ATOM 905 ND2 ASN A 71 18.212 -6.476 -17.197 1.00 0.00 N flip ATOM 0 H ASN A 71 13.671 -5.671 -15.672 1.00 0.00 H new ATOM 0 HA ASN A 71 15.283 -4.228 -17.379 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.916 -5.548 -15.260 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.917 -7.007 -16.231 1.00 0.00 H new ATOM 0 HD21 ASN A 71 17.876 -7.436 -17.266 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.155 -6.242 -17.507 1.00 0.00 H new ATOM 912 N MET A 72 14.353 -7.007 -18.748 1.00 0.00 N ATOM 913 CA MET A 72 14.381 -7.740 -20.033 1.00 0.00 C ATOM 914 C MET A 72 13.804 -6.874 -21.142 1.00 0.00 C ATOM 915 O MET A 72 13.612 -7.326 -22.253 1.00 0.00 O ATOM 916 CB MET A 72 13.520 -9.005 -19.893 1.00 0.00 C ATOM 917 CG MET A 72 14.095 -9.885 -18.781 1.00 0.00 C ATOM 918 SD MET A 72 13.089 -11.284 -18.223 1.00 0.00 S ATOM 919 CE MET A 72 13.973 -12.583 -19.119 1.00 0.00 C ATOM 0 H MET A 72 13.691 -7.357 -18.055 1.00 0.00 H new ATOM 0 HA MET A 72 15.410 -7.999 -20.280 1.00 0.00 H new ATOM 0 HB2 MET A 72 12.490 -8.734 -19.663 1.00 0.00 H new ATOM 0 HB3 MET A 72 13.503 -9.553 -20.835 1.00 0.00 H new ATOM 0 HG2 MET A 72 15.054 -10.274 -19.121 1.00 0.00 H new ATOM 0 HG3 MET A 72 14.297 -9.250 -17.919 1.00 0.00 H new ATOM 0 HE1 MET A 72 13.509 -13.548 -18.913 1.00 0.00 H new ATOM 0 HE2 MET A 72 13.930 -12.381 -20.189 1.00 0.00 H new ATOM 0 HE3 MET A 72 15.014 -12.605 -18.796 1.00 0.00 H new ATOM 929 N ASN A 73 13.537 -5.637 -20.811 1.00 0.00 N ATOM 930 CA ASN A 73 12.971 -4.709 -21.819 1.00 0.00 C ATOM 931 C ASN A 73 13.577 -3.321 -21.662 1.00 0.00 C ATOM 932 O ASN A 73 14.282 -2.847 -22.532 1.00 0.00 O ATOM 933 CB ASN A 73 11.453 -4.618 -21.595 1.00 0.00 C ATOM 934 CG ASN A 73 10.763 -5.785 -22.306 1.00 0.00 C ATOM 935 OD1 ASN A 73 10.496 -5.734 -23.491 1.00 0.00 O ATOM 936 ND2 ASN A 73 10.457 -6.853 -21.621 1.00 0.00 N ATOM 0 H ASN A 73 13.688 -5.235 -19.886 1.00 0.00 H new ATOM 0 HA ASN A 73 13.195 -5.080 -22.819 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.229 -4.644 -20.528 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.074 -3.670 -21.977 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.996 -7.639 -22.080 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.678 -6.902 -20.627 1.00 0.00 H new ATOM 943 N LEU A 74 13.292 -2.694 -20.550 1.00 0.00 N ATOM 944 CA LEU A 74 13.838 -1.340 -20.314 1.00 0.00 C ATOM 945 C LEU A 74 15.116 -1.411 -19.490 1.00 0.00 C ATOM 946 O LEU A 74 16.205 -1.388 -20.030 1.00 0.00 O ATOM 947 CB LEU A 74 12.790 -0.523 -19.539 1.00 0.00 C ATOM 948 CG LEU A 74 11.568 -0.283 -20.436 1.00 0.00 C ATOM 949 CD1 LEU A 74 10.602 0.669 -19.729 1.00 0.00 C ATOM 950 CD2 LEU A 74 12.022 0.353 -21.752 1.00 0.00 C ATOM 0 H LEU A 74 12.706 -3.066 -19.802 1.00 0.00 H new ATOM 0 HA LEU A 74 14.066 -0.873 -21.272 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.493 -1.055 -18.635 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.216 0.429 -19.223 1.00 0.00 H new ATOM 0 HG LEU A 74 11.071 -1.232 -20.637 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.732 0.842 -20.363 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.281 0.227 -18.786 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.103 1.617 -19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.156 0.525 -22.391 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.515 1.303 -21.546 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.719 -0.315 -22.258 1.00 0.00 H new ATOM 962 N GLY A 75 14.968 -1.498 -18.196 1.00 0.00 N ATOM 963 CA GLY A 75 16.181 -1.571 -17.330 1.00 0.00 C ATOM 964 C GLY A 75 15.803 -1.589 -15.841 1.00 0.00 C ATOM 965 O GLY A 75 16.649 -1.806 -14.996 1.00 0.00 O ATOM 0 H GLY A 75 14.074 -1.522 -17.706 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.751 -2.468 -17.574 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.827 -0.717 -17.533 1.00 0.00 H new ATOM 969 N GLY A 76 14.537 -1.364 -15.552 1.00 0.00 N ATOM 970 CA GLY A 76 14.091 -1.365 -14.120 1.00 0.00 C ATOM 971 C GLY A 76 13.296 -0.092 -13.805 1.00 0.00 C ATOM 972 O GLY A 76 13.295 0.378 -12.684 1.00 0.00 O ATOM 0 H GLY A 76 13.804 -1.182 -16.238 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.475 -2.243 -13.925 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.958 -1.432 -13.463 1.00 0.00 H new ATOM 976 N HIS A 77 12.643 0.435 -14.811 1.00 0.00 N ATOM 977 CA HIS A 77 11.835 1.676 -14.616 1.00 0.00 C ATOM 978 C HIS A 77 10.406 1.431 -15.055 1.00 0.00 C ATOM 979 O HIS A 77 10.178 0.799 -16.070 1.00 0.00 O ATOM 980 CB HIS A 77 12.433 2.786 -15.495 1.00 0.00 C ATOM 981 CG HIS A 77 12.374 4.123 -14.752 1.00 0.00 C ATOM 982 ND1 HIS A 77 12.601 4.403 -13.419 1.00 0.00 N flip ATOM 983 CD2 HIS A 77 12.101 5.221 -15.281 1.00 0.00 C flip ATOM 984 CE1 HIS A 77 12.437 5.739 -13.210 1.00 0.00 C flip ATOM 985 NE2 HIS A 77 12.127 6.164 -14.437 1.00 0.00 N flip ATOM 0 H HIS A 77 12.635 0.058 -15.759 1.00 0.00 H new ATOM 0 HA HIS A 77 11.849 1.963 -13.564 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.465 2.545 -15.748 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.883 2.856 -16.433 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.871 5.350 -16.328 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.532 6.304 -12.295 1.00 0.00 H new ATOM 0 HE2 HIS A 77 11.933 7.138 -14.668 1.00 0.00 H new ATOM 993 N VAL A 78 9.461 1.928 -14.291 1.00 0.00 N ATOM 994 CA VAL A 78 8.043 1.719 -14.672 1.00 0.00 C ATOM 995 C VAL A 78 7.204 2.967 -14.491 1.00 0.00 C ATOM 996 O VAL A 78 7.304 3.667 -13.500 1.00 0.00 O ATOM 997 CB VAL A 78 7.470 0.598 -13.774 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.388 0.412 -12.588 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.067 0.978 -13.257 1.00 0.00 C ATOM 0 H VAL A 78 9.614 2.460 -13.434 1.00 0.00 H new ATOM 0 HA VAL A 78 8.008 1.454 -15.729 1.00 0.00 H new ATOM 0 HB VAL A 78 7.396 -0.320 -14.357 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.996 -0.376 -11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.382 0.135 -12.938 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.448 1.343 -12.025 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.682 0.176 -12.627 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.130 1.898 -12.675 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.396 1.129 -14.103 1.00 0.00 H new ATOM 1009 N ASP A 79 6.397 3.213 -15.470 1.00 0.00 N ATOM 1010 CA ASP A 79 5.512 4.385 -15.437 1.00 0.00 C ATOM 1011 C ASP A 79 4.142 3.881 -15.077 1.00 0.00 C ATOM 1012 O ASP A 79 3.902 2.694 -15.169 1.00 0.00 O ATOM 1013 CB ASP A 79 5.466 5.017 -16.837 1.00 0.00 C ATOM 1014 CG ASP A 79 4.992 6.467 -16.721 1.00 0.00 C ATOM 1015 OD1 ASP A 79 3.785 6.640 -16.675 1.00 0.00 O ATOM 1016 OD2 ASP A 79 5.863 7.320 -16.687 1.00 0.00 O ATOM 0 H ASP A 79 6.314 2.637 -16.308 1.00 0.00 H new ATOM 0 HA ASP A 79 5.861 5.129 -14.721 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.453 4.981 -17.298 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.792 4.452 -17.482 1.00 0.00 H new ATOM 1021 N PHE A 80 3.267 4.740 -14.646 1.00 0.00 N ATOM 1022 CA PHE A 80 1.925 4.233 -14.295 1.00 0.00 C ATOM 1023 C PHE A 80 1.426 3.258 -15.362 1.00 0.00 C ATOM 1024 O PHE A 80 0.537 2.464 -15.119 1.00 0.00 O ATOM 1025 CB PHE A 80 0.935 5.390 -14.185 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.342 4.835 -13.568 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.309 4.247 -12.315 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.531 4.847 -14.271 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.438 3.678 -11.781 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.663 4.276 -13.733 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.617 3.691 -12.488 1.00 0.00 C ATOM 0 H PHE A 80 3.418 5.741 -14.525 1.00 0.00 H new ATOM 0 HA PHE A 80 1.998 3.719 -13.337 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.345 6.189 -13.567 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.733 5.818 -15.167 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.613 4.236 -11.753 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.573 5.306 -15.247 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.400 3.219 -10.804 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.589 4.287 -14.289 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.505 3.243 -12.067 1.00 0.00 H new ATOM 1041 N ASP A 81 2.024 3.333 -16.525 1.00 0.00 N ATOM 1042 CA ASP A 81 1.608 2.424 -17.619 1.00 0.00 C ATOM 1043 C ASP A 81 2.256 1.054 -17.450 1.00 0.00 C ATOM 1044 O ASP A 81 1.602 0.041 -17.593 1.00 0.00 O ATOM 1045 CB ASP A 81 2.056 3.032 -18.957 1.00 0.00 C ATOM 1046 CG ASP A 81 1.470 4.440 -19.095 1.00 0.00 C ATOM 1047 OD1 ASP A 81 0.270 4.509 -19.306 1.00 0.00 O ATOM 1048 OD2 ASP A 81 2.256 5.366 -18.982 1.00 0.00 O ATOM 0 H ASP A 81 2.776 3.982 -16.756 1.00 0.00 H new ATOM 0 HA ASP A 81 0.525 2.304 -17.595 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.144 3.072 -19.005 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.724 2.405 -19.784 1.00 0.00 H new ATOM 1053 N ASP A 82 3.537 1.037 -17.151 1.00 0.00 N ATOM 1054 CA ASP A 82 4.206 -0.267 -16.977 1.00 0.00 C ATOM 1055 C ASP A 82 3.743 -0.860 -15.668 1.00 0.00 C ATOM 1056 O ASP A 82 3.633 -2.059 -15.513 1.00 0.00 O ATOM 1057 CB ASP A 82 5.724 -0.041 -16.925 1.00 0.00 C ATOM 1058 CG ASP A 82 6.234 0.274 -18.333 1.00 0.00 C ATOM 1059 OD1 ASP A 82 6.281 -0.662 -19.113 1.00 0.00 O ATOM 1060 OD2 ASP A 82 6.546 1.434 -18.549 1.00 0.00 O ATOM 0 H ASP A 82 4.127 1.860 -17.025 1.00 0.00 H new ATOM 0 HA ASP A 82 3.965 -0.939 -17.801 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.958 0.780 -16.248 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.223 -0.928 -16.535 1.00 0.00 H new ATOM 1065 N PHE A 83 3.475 0.020 -14.753 1.00 0.00 N ATOM 1066 CA PHE A 83 3.008 -0.390 -13.417 1.00 0.00 C ATOM 1067 C PHE A 83 1.709 -1.161 -13.556 1.00 0.00 C ATOM 1068 O PHE A 83 1.507 -2.179 -12.921 1.00 0.00 O ATOM 1069 CB PHE A 83 2.770 0.918 -12.654 1.00 0.00 C ATOM 1070 CG PHE A 83 2.093 0.698 -11.304 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.822 0.269 -10.207 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.774 1.083 -11.122 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.244 0.240 -8.954 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.203 1.053 -9.869 1.00 0.00 C ATOM 1075 CZ PHE A 83 0.935 0.637 -8.787 1.00 0.00 C ATOM 0 H PHE A 83 3.564 1.028 -14.883 1.00 0.00 H new ATOM 0 HA PHE A 83 3.723 -1.032 -12.902 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.724 1.422 -12.499 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.154 1.581 -13.261 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.848 -0.044 -10.333 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.189 1.409 -11.969 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.819 -0.094 -8.103 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.825 1.358 -9.738 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.486 0.620 -7.805 1.00 0.00 H new ATOM 1085 N VAL A 84 0.850 -0.656 -14.395 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.447 -1.327 -14.612 1.00 0.00 C ATOM 1087 C VAL A 84 -0.247 -2.560 -15.481 1.00 0.00 C ATOM 1088 O VAL A 84 -0.978 -3.525 -15.381 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.371 -0.332 -15.340 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.361 -1.094 -16.225 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.143 0.487 -14.305 1.00 0.00 C ATOM 0 H VAL A 84 0.996 0.195 -14.938 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.882 -1.635 -13.661 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.770 0.330 -15.963 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.012 -0.385 -16.737 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.813 -1.681 -16.962 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.964 -1.759 -15.607 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.799 1.193 -14.815 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.741 -0.181 -13.685 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.440 1.034 -13.676 1.00 0.00 H new ATOM 1101 N GLU A 85 0.750 -2.501 -16.321 1.00 0.00 N ATOM 1102 CA GLU A 85 1.032 -3.651 -17.213 1.00 0.00 C ATOM 1103 C GLU A 85 1.757 -4.764 -16.462 1.00 0.00 C ATOM 1104 O GLU A 85 1.508 -5.930 -16.692 1.00 0.00 O ATOM 1105 CB GLU A 85 1.936 -3.163 -18.355 1.00 0.00 C ATOM 1106 CG GLU A 85 2.194 -4.317 -19.328 1.00 0.00 C ATOM 1107 CD GLU A 85 0.858 -4.885 -19.815 1.00 0.00 C ATOM 1108 OE1 GLU A 85 0.215 -4.180 -20.577 1.00 0.00 O ATOM 1109 OE2 GLU A 85 0.558 -5.992 -19.402 1.00 0.00 O ATOM 0 H GLU A 85 1.379 -1.705 -16.425 1.00 0.00 H new ATOM 0 HA GLU A 85 0.089 -4.044 -17.592 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.464 -2.331 -18.877 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.880 -2.793 -17.954 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.783 -3.967 -20.176 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.775 -5.097 -18.837 1.00 0.00 H new ATOM 1116 N LEU A 86 2.648 -4.387 -15.574 1.00 0.00 N ATOM 1117 CA LEU A 86 3.386 -5.427 -14.814 1.00 0.00 C ATOM 1118 C LEU A 86 2.482 -6.090 -13.787 1.00 0.00 C ATOM 1119 O LEU A 86 2.652 -7.251 -13.466 1.00 0.00 O ATOM 1120 CB LEU A 86 4.566 -4.765 -14.081 1.00 0.00 C ATOM 1121 CG LEU A 86 5.866 -5.069 -14.834 1.00 0.00 C ATOM 1122 CD1 LEU A 86 6.282 -6.516 -14.549 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.637 -4.891 -16.340 1.00 0.00 C ATOM 0 H LEU A 86 2.888 -3.421 -15.351 1.00 0.00 H new ATOM 0 HA LEU A 86 3.741 -6.185 -15.512 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.412 -3.688 -14.019 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.629 -5.138 -13.059 1.00 0.00 H new ATOM 0 HG LEU A 86 6.651 -4.388 -14.505 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.206 -6.740 -15.081 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.439 -6.645 -13.478 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.497 -7.193 -14.885 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.561 -5.107 -16.877 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.856 -5.575 -16.673 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.331 -3.865 -16.543 1.00 0.00 H new ATOM 1135 N MET A 87 1.530 -5.346 -13.282 1.00 0.00 N ATOM 1136 CA MET A 87 0.614 -5.934 -12.277 1.00 0.00 C ATOM 1137 C MET A 87 -0.422 -6.830 -12.951 1.00 0.00 C ATOM 1138 O MET A 87 -0.815 -7.840 -12.408 1.00 0.00 O ATOM 1139 CB MET A 87 -0.115 -4.789 -11.556 1.00 0.00 C ATOM 1140 CG MET A 87 -0.500 -5.248 -10.149 1.00 0.00 C ATOM 1141 SD MET A 87 0.732 -5.040 -8.839 1.00 0.00 S ATOM 1142 CE MET A 87 0.222 -6.451 -7.826 1.00 0.00 C ATOM 0 H MET A 87 1.354 -4.370 -13.522 1.00 0.00 H new ATOM 0 HA MET A 87 1.192 -6.534 -11.574 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.527 -3.910 -11.502 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.006 -4.500 -12.114 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.400 -4.709 -9.853 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.763 -6.305 -10.199 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.860 -6.516 -6.945 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.814 -6.320 -7.515 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.313 -7.368 -8.408 1.00 0.00 H new ATOM 1152 N GLY A 88 -0.832 -6.436 -14.135 1.00 0.00 N ATOM 1153 CA GLY A 88 -1.848 -7.236 -14.892 1.00 0.00 C ATOM 1154 C GLY A 88 -1.631 -8.744 -14.698 1.00 0.00 C ATOM 1155 O GLY A 88 -2.492 -9.449 -14.210 1.00 0.00 O ATOM 0 H GLY A 88 -0.506 -5.594 -14.610 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.849 -6.965 -14.558 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.789 -6.992 -15.953 1.00 0.00 H new ATOM 1159 N PRO A 89 -0.475 -9.196 -15.107 1.00 0.00 N ATOM 1160 CA PRO A 89 -0.111 -10.607 -14.995 1.00 0.00 C ATOM 1161 C PRO A 89 -0.077 -11.087 -13.534 1.00 0.00 C ATOM 1162 O PRO A 89 0.725 -11.928 -13.173 1.00 0.00 O ATOM 1163 CB PRO A 89 1.308 -10.692 -15.616 1.00 0.00 C ATOM 1164 CG PRO A 89 1.695 -9.260 -16.095 1.00 0.00 C ATOM 1165 CD PRO A 89 0.532 -8.328 -15.728 1.00 0.00 C ATOM 0 HA PRO A 89 -0.841 -11.242 -15.497 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.026 -11.058 -14.883 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.320 -11.392 -16.451 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.617 -8.931 -15.617 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.872 -9.249 -17.170 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.856 -7.546 -15.041 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.132 -7.830 -16.612 1.00 0.00 H new ATOM 1173 N LYS A 90 -0.953 -10.559 -12.719 1.00 0.00 N ATOM 1174 CA LYS A 90 -0.960 -10.992 -11.297 1.00 0.00 C ATOM 1175 C LYS A 90 -2.307 -10.717 -10.625 1.00 0.00 C ATOM 1176 O LYS A 90 -2.588 -11.250 -9.568 1.00 0.00 O ATOM 1177 CB LYS A 90 0.129 -10.217 -10.549 1.00 0.00 C ATOM 1178 CG LYS A 90 0.369 -10.884 -9.193 1.00 0.00 C ATOM 1179 CD LYS A 90 1.755 -10.492 -8.677 1.00 0.00 C ATOM 1180 CE LYS A 90 2.154 -11.440 -7.545 1.00 0.00 C ATOM 1181 NZ LYS A 90 3.329 -10.901 -6.802 1.00 0.00 N ATOM 0 H LYS A 90 -1.651 -9.860 -12.973 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.779 -12.066 -11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.050 -10.205 -11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.174 -9.179 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.397 -10.576 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.297 -11.967 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.485 -10.543 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.746 -9.462 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.315 -11.574 -6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.393 -12.422 -7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.587 -11.557 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.133 -10.796 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.088 -9.974 -6.397 1.00 0.00 H new ATOM 1195 N LEU A 91 -3.115 -9.894 -11.239 1.00 0.00 N ATOM 1196 CA LEU A 91 -4.438 -9.592 -10.627 1.00 0.00 C ATOM 1197 C LEU A 91 -5.172 -10.879 -10.267 1.00 0.00 C ATOM 1198 O LEU A 91 -5.089 -11.388 -9.168 1.00 0.00 O ATOM 1199 CB LEU A 91 -5.289 -8.810 -11.645 1.00 0.00 C ATOM 1200 CG LEU A 91 -4.932 -7.324 -11.572 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -5.269 -6.784 -10.175 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -3.435 -7.161 -11.847 1.00 0.00 C ATOM 0 H LEU A 91 -2.920 -9.425 -12.124 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.281 -9.007 -9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.111 -9.189 -12.651 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.349 -8.951 -11.434 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.503 -6.766 -12.314 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.015 -5.725 -10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.334 -6.911 -9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.698 -7.332 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.169 -6.105 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.866 -7.714 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.203 -7.548 -12.839 1.00 0.00 H new