USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 549 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 84 HIS : no HE2:sc= 0.649 K(o=1.2,f=-3.8) USER MOD Set 1.2: A 95 CYS SG : rot 179:sc= 0.539 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 80 ASN : amide:sc= -0.0893 K(o=-0.089,f=-0.97) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 27:sc= 0.641 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -55:sc= 1.13 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 115:sc= 0.329 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 110 ASN : amide:sc= -0.291 K(o=-0.29,f=-10!) USER MOD Single : A 113 GLN : amide:sc= -2.65 K(o=-2.6,f=-4.3!) USER MOD Single : A 119 ASN : amide:sc=-0.000855 K(o=-0.00085,f=-0.77) USER MOD Single : A 120 THR OG1 : rot 77:sc= 0.311 USER MOD Single : A 122 HIS : no HD1:sc= -0.325 K(o=-0.32,f=-2.6!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot -87:sc= 0.562 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.1) USER MOD Single : A 136 GLN : amide:sc= -0.395 K(o=-0.4,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.021 5.585 4.738 1.00 0.00 N ATOM 60 CA GLY A 68 -2.781 4.839 4.635 1.00 0.00 C ATOM 61 C GLY A 68 -2.990 3.437 4.098 1.00 0.00 C ATOM 62 O GLY A 68 -4.022 2.815 4.353 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.091 5.375 3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.312 4.782 5.617 1.00 0.00 H new ATOM 66 N ILE A 69 -2.011 2.939 3.350 1.00 0.00 N ATOM 67 CA ILE A 69 -2.093 1.603 2.775 1.00 0.00 C ATOM 68 C ILE A 69 -0.794 0.833 2.985 1.00 0.00 C ATOM 69 O ILE A 69 0.242 1.417 3.308 1.00 0.00 O ATOM 70 CB ILE A 69 -2.408 1.656 1.269 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.292 2.386 0.518 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.747 2.339 1.031 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.193 1.468 0.028 1.00 0.00 C ATOM 0 H ILE A 69 -1.152 3.441 3.128 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.905 1.088 3.289 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.470 0.636 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.722 2.912 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.858 3.142 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.955 2.369 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.535 1.782 1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.711 3.356 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.564 2.053 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.264 0.961 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.614 0.728 -0.653 1.00 0.00 H new ATOM 85 N LEU A 70 -0.854 -0.481 2.797 1.00 0.00 N ATOM 86 CA LEU A 70 0.319 -1.332 2.963 1.00 0.00 C ATOM 87 C LEU A 70 0.386 -2.387 1.864 1.00 0.00 C ATOM 88 O LEU A 70 -0.546 -3.172 1.686 1.00 0.00 O ATOM 89 CB LEU A 70 0.292 -2.009 4.335 1.00 0.00 C ATOM 90 CG LEU A 70 1.158 -3.260 4.483 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.617 -2.937 4.201 1.00 0.00 C ATOM 92 CD2 LEU A 70 1.002 -3.856 5.874 1.00 0.00 C ATOM 0 H LEU A 70 -1.702 -0.980 2.530 1.00 0.00 H new ATOM 0 HA LEU A 70 1.207 -0.703 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.608 -1.282 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.739 -2.276 4.566 1.00 0.00 H new ATOM 0 HG LEU A 70 0.823 -3.997 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.217 -3.840 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.716 -2.558 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.965 -2.181 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.626 -4.746 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.309 -3.123 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.041 -4.127 6.039 1.00 0.00 H new ATOM 104 N ILE A 71 1.495 -2.402 1.132 1.00 0.00 N ATOM 105 CA ILE A 71 1.685 -3.363 0.053 1.00 0.00 C ATOM 106 C ILE A 71 2.771 -4.374 0.402 1.00 0.00 C ATOM 107 O ILE A 71 3.900 -4.002 0.725 1.00 0.00 O ATOM 108 CB ILE A 71 2.057 -2.662 -1.267 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.872 -1.847 -1.789 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.501 -3.684 -2.303 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.257 -0.819 -2.830 1.00 0.00 C ATOM 0 H ILE A 71 2.276 -1.759 1.267 1.00 0.00 H new ATOM 0 HA ILE A 71 0.736 -3.883 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 71 2.887 -1.981 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.134 -2.526 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.392 -1.341 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.760 -3.173 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.371 -4.225 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.690 -4.387 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.367 -0.279 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.971 -0.117 -2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.710 -1.320 -3.686 1.00 0.00 H new ATOM 123 N ARG A 72 2.424 -5.655 0.334 1.00 0.00 N ATOM 124 CA ARG A 72 3.370 -6.721 0.642 1.00 0.00 C ATOM 125 C ARG A 72 3.696 -7.536 -0.606 1.00 0.00 C ATOM 126 O ARG A 72 2.801 -7.934 -1.351 1.00 0.00 O ATOM 127 CB ARG A 72 2.803 -7.636 1.729 1.00 0.00 C ATOM 128 CG ARG A 72 2.307 -6.890 2.956 1.00 0.00 C ATOM 129 CD ARG A 72 2.352 -7.767 4.198 1.00 0.00 C ATOM 130 NE ARG A 72 1.313 -7.408 5.160 1.00 0.00 N ATOM 131 CZ ARG A 72 1.346 -7.755 6.441 1.00 0.00 C ATOM 132 NH1 ARG A 72 2.361 -8.467 6.912 1.00 0.00 N ATOM 133 NH2 ARG A 72 0.363 -7.391 7.254 1.00 0.00 N ATOM 0 H ARG A 72 1.494 -5.980 0.068 1.00 0.00 H new ATOM 0 HA ARG A 72 4.290 -6.263 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.981 -8.217 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.573 -8.346 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.918 -6.001 3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.286 -6.549 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.233 -8.811 3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.330 -7.677 4.670 1.00 0.00 H new ATOM 0 HE ARG A 72 0.518 -6.861 4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.118 -8.749 6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.384 -8.732 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.419 -6.844 6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.390 -7.658 8.238 1.00 0.00 H new ATOM 147 N GLY A 73 4.984 -7.781 -0.827 1.00 0.00 N ATOM 148 CA GLY A 73 5.405 -8.547 -1.985 1.00 0.00 C ATOM 149 C GLY A 73 5.714 -7.667 -3.181 1.00 0.00 C ATOM 150 O GLY A 73 4.911 -7.564 -4.109 1.00 0.00 O ATOM 0 H GLY A 73 5.743 -7.463 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.289 -9.131 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.622 -9.256 -2.252 1.00 0.00 H new ATOM 154 N LEU A 74 6.880 -7.031 -3.159 1.00 0.00 N ATOM 155 CA LEU A 74 7.293 -6.154 -4.249 1.00 0.00 C ATOM 156 C LEU A 74 8.436 -6.776 -5.046 1.00 0.00 C ATOM 157 O LEU A 74 9.225 -7.568 -4.530 1.00 0.00 O ATOM 158 CB LEU A 74 7.721 -4.792 -3.700 1.00 0.00 C ATOM 159 CG LEU A 74 6.678 -4.045 -2.868 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.312 -2.864 -2.152 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.526 -3.582 -3.749 1.00 0.00 C ATOM 0 H LEU A 74 7.556 -7.106 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 74 6.441 -6.019 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.612 -4.933 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.008 -4.159 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 74 6.283 -4.729 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.554 -2.345 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.102 -3.221 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.735 -2.178 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.793 -3.052 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.905 -2.915 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.054 -4.447 -4.215 1.00 0.00 H new ATOM 173 N PRO A 75 8.529 -6.409 -6.332 1.00 0.00 N ATOM 174 CA PRO A 75 9.573 -6.917 -7.227 1.00 0.00 C ATOM 175 C PRO A 75 10.954 -6.377 -6.871 1.00 0.00 C ATOM 176 O PRO A 75 11.078 -5.382 -6.158 1.00 0.00 O ATOM 177 CB PRO A 75 9.139 -6.409 -8.604 1.00 0.00 C ATOM 178 CG PRO A 75 8.316 -5.200 -8.319 1.00 0.00 C ATOM 179 CD PRO A 75 7.622 -5.469 -7.013 1.00 0.00 C ATOM 0 HA PRO A 75 9.668 -8.001 -7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.000 -6.164 -9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.563 -7.163 -9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.941 -4.309 -8.252 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.593 -5.023 -9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.483 -4.555 -6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.634 -5.903 -7.165 1.00 0.00 H new ATOM 187 N GLY A 76 11.992 -7.040 -7.373 1.00 0.00 N ATOM 188 CA GLY A 76 13.350 -6.611 -7.097 1.00 0.00 C ATOM 189 C GLY A 76 13.693 -5.299 -7.774 1.00 0.00 C ATOM 190 O GLY A 76 14.717 -4.686 -7.472 1.00 0.00 O ATOM 0 H GLY A 76 11.916 -7.867 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.483 -6.506 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.046 -7.381 -7.430 1.00 0.00 H new ATOM 194 N ASP A 77 12.835 -4.867 -8.692 1.00 0.00 N ATOM 195 CA ASP A 77 13.053 -3.619 -9.414 1.00 0.00 C ATOM 196 C ASP A 77 11.997 -2.584 -9.039 1.00 0.00 C ATOM 197 O ASP A 77 11.770 -1.620 -9.772 1.00 0.00 O ATOM 198 CB ASP A 77 13.028 -3.867 -10.923 1.00 0.00 C ATOM 199 CG ASP A 77 13.900 -5.039 -11.331 1.00 0.00 C ATOM 200 OD1 ASP A 77 15.136 -4.865 -11.395 1.00 0.00 O ATOM 201 OD2 ASP A 77 13.348 -6.129 -11.585 1.00 0.00 O ATOM 0 H ASP A 77 11.983 -5.362 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 77 14.032 -3.231 -9.134 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.002 -4.053 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.365 -2.969 -11.442 1.00 0.00 H new ATOM 206 N VAL A 78 11.353 -2.790 -7.895 1.00 0.00 N ATOM 207 CA VAL A 78 10.321 -1.874 -7.423 1.00 0.00 C ATOM 208 C VAL A 78 10.914 -0.518 -7.059 1.00 0.00 C ATOM 209 O VAL A 78 11.691 -0.401 -6.110 1.00 0.00 O ATOM 210 CB VAL A 78 9.583 -2.445 -6.197 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.552 -2.671 -5.047 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.452 -1.518 -5.778 1.00 0.00 C ATOM 0 H VAL A 78 11.527 -3.583 -7.278 1.00 0.00 H new ATOM 0 HA VAL A 78 9.611 -1.749 -8.240 1.00 0.00 H new ATOM 0 HB VAL A 78 9.151 -3.408 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.012 -3.074 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.324 -3.377 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.016 -1.724 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.941 -1.936 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.859 -0.540 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.744 -1.413 -6.600 1.00 0.00 H new ATOM 222 N THR A 79 10.543 0.507 -7.820 1.00 0.00 N ATOM 223 CA THR A 79 11.039 1.857 -7.578 1.00 0.00 C ATOM 224 C THR A 79 9.893 2.818 -7.282 1.00 0.00 C ATOM 225 O THR A 79 8.731 2.512 -7.542 1.00 0.00 O ATOM 226 CB THR A 79 11.839 2.385 -8.784 1.00 0.00 C ATOM 227 OG1 THR A 79 12.557 3.568 -8.415 1.00 0.00 O ATOM 228 CG2 THR A 79 10.916 2.691 -9.954 1.00 0.00 C ATOM 0 H THR A 79 9.901 0.428 -8.609 1.00 0.00 H new ATOM 0 HA THR A 79 11.697 1.802 -6.711 1.00 0.00 H new ATOM 0 HB THR A 79 12.544 1.612 -9.090 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.064 3.897 -9.186 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.504 3.062 -10.794 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.392 1.783 -10.251 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.190 3.448 -9.656 1.00 0.00 H new ATOM 236 N ASN A 80 10.230 3.983 -6.737 1.00 0.00 N ATOM 237 CA ASN A 80 9.229 4.990 -6.406 1.00 0.00 C ATOM 238 C ASN A 80 8.366 5.320 -7.620 1.00 0.00 C ATOM 239 O ASN A 80 7.171 5.581 -7.492 1.00 0.00 O ATOM 240 CB ASN A 80 9.905 6.260 -5.886 1.00 0.00 C ATOM 241 CG ASN A 80 11.107 6.657 -6.721 1.00 0.00 C ATOM 242 OD1 ASN A 80 12.216 6.167 -6.505 1.00 0.00 O ATOM 243 ND2 ASN A 80 10.893 7.550 -7.680 1.00 0.00 N ATOM 0 H ASN A 80 11.189 4.252 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 80 8.586 4.583 -5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.183 7.077 -5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.218 6.105 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.664 7.856 -8.273 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.957 7.930 -7.824 1.00 0.00 H new ATOM 250 N GLN A 81 8.982 5.304 -8.798 1.00 0.00 N ATOM 251 CA GLN A 81 8.271 5.602 -10.036 1.00 0.00 C ATOM 252 C GLN A 81 7.160 4.586 -10.283 1.00 0.00 C ATOM 253 O GLN A 81 6.109 4.923 -10.826 1.00 0.00 O ATOM 254 CB GLN A 81 9.242 5.612 -11.217 1.00 0.00 C ATOM 255 CG GLN A 81 8.696 6.318 -12.448 1.00 0.00 C ATOM 256 CD GLN A 81 8.850 7.824 -12.372 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.878 8.376 -12.767 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.826 8.500 -11.862 1.00 0.00 N ATOM 0 H GLN A 81 9.971 5.088 -8.921 1.00 0.00 H new ATOM 0 HA GLN A 81 7.820 6.590 -9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.168 6.098 -10.911 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.493 4.584 -11.479 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.212 5.948 -13.334 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.641 6.070 -12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.993 8.003 -11.547 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.873 9.516 -11.786 1.00 0.00 H new ATOM 267 N GLU A 82 7.402 3.343 -9.881 1.00 0.00 N ATOM 268 CA GLU A 82 6.422 2.278 -10.060 1.00 0.00 C ATOM 269 C GLU A 82 5.162 2.555 -9.245 1.00 0.00 C ATOM 270 O GLU A 82 4.044 2.418 -9.742 1.00 0.00 O ATOM 271 CB GLU A 82 7.020 0.930 -9.653 1.00 0.00 C ATOM 272 CG GLU A 82 6.227 -0.265 -10.157 1.00 0.00 C ATOM 273 CD GLU A 82 5.857 -0.144 -11.622 1.00 0.00 C ATOM 274 OE1 GLU A 82 6.777 -0.112 -12.466 1.00 0.00 O ATOM 275 OE2 GLU A 82 4.647 -0.081 -11.925 1.00 0.00 O ATOM 0 H GLU A 82 8.268 3.048 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 82 6.151 2.243 -11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.040 0.865 -10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.081 0.883 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.811 -1.173 -10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.318 -0.369 -9.564 1.00 0.00 H new ATOM 282 N VAL A 83 5.351 2.945 -7.988 1.00 0.00 N ATOM 283 CA VAL A 83 4.232 3.242 -7.103 1.00 0.00 C ATOM 284 C VAL A 83 3.519 4.521 -7.528 1.00 0.00 C ATOM 285 O VAL A 83 2.292 4.608 -7.474 1.00 0.00 O ATOM 286 CB VAL A 83 4.695 3.387 -5.641 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.160 2.046 -5.093 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.799 4.428 -5.533 1.00 0.00 C ATOM 0 H VAL A 83 6.269 3.062 -7.560 1.00 0.00 H new ATOM 0 HA VAL A 83 3.540 2.403 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 83 3.849 3.724 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.483 2.168 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.338 1.331 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.992 1.677 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.114 4.518 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.648 4.123 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.427 5.391 -5.884 1.00 0.00 H new ATOM 298 N HIS A 84 4.297 5.512 -7.952 1.00 0.00 N ATOM 299 CA HIS A 84 3.740 6.788 -8.388 1.00 0.00 C ATOM 300 C HIS A 84 2.831 6.598 -9.599 1.00 0.00 C ATOM 301 O HIS A 84 1.730 7.147 -9.652 1.00 0.00 O ATOM 302 CB HIS A 84 4.863 7.769 -8.727 1.00 0.00 C ATOM 303 CG HIS A 84 5.306 8.599 -7.562 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.581 9.668 -7.081 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.406 8.509 -6.779 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.217 10.203 -6.054 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.328 9.517 -5.849 1.00 0.00 N ATOM 0 H HIS A 84 5.314 5.456 -8.003 1.00 0.00 H new ATOM 0 HA HIS A 84 3.146 7.196 -7.570 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.717 7.212 -9.111 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.528 8.430 -9.527 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.692 9.995 -7.459 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.198 7.780 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.886 11.056 -5.480 1.00 0.00 H new ATOM 316 N ASP A 85 3.300 5.820 -10.568 1.00 0.00 N ATOM 317 CA ASP A 85 2.529 5.558 -11.778 1.00 0.00 C ATOM 318 C ASP A 85 1.272 4.755 -11.458 1.00 0.00 C ATOM 319 O ASP A 85 0.211 4.983 -12.042 1.00 0.00 O ATOM 320 CB ASP A 85 3.383 4.806 -12.800 1.00 0.00 C ATOM 321 CG ASP A 85 2.819 4.897 -14.204 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.096 5.874 -14.492 1.00 0.00 O ATOM 323 OD2 ASP A 85 3.102 3.992 -15.016 1.00 0.00 O ATOM 0 H ASP A 85 4.210 5.360 -10.540 1.00 0.00 H new ATOM 0 HA ASP A 85 2.228 6.516 -12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.395 5.210 -12.791 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.456 3.758 -12.508 1.00 0.00 H new ATOM 328 N LEU A 86 1.397 3.815 -10.528 1.00 0.00 N ATOM 329 CA LEU A 86 0.271 2.976 -10.131 1.00 0.00 C ATOM 330 C LEU A 86 -0.860 3.821 -9.554 1.00 0.00 C ATOM 331 O LEU A 86 -2.034 3.590 -9.847 1.00 0.00 O ATOM 332 CB LEU A 86 0.722 1.937 -9.104 1.00 0.00 C ATOM 333 CG LEU A 86 -0.369 1.013 -8.560 1.00 0.00 C ATOM 334 CD1 LEU A 86 -0.977 0.187 -9.683 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.191 0.108 -7.472 1.00 0.00 C ATOM 0 H LEU A 86 2.267 3.614 -10.034 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.100 2.463 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.499 1.321 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.179 2.460 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.155 1.629 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.751 -0.464 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.415 0.852 -10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.201 -0.419 -10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.599 -0.542 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.996 -0.500 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.578 0.717 -6.655 1.00 0.00 H new ATOM 347 N LEU A 87 -0.499 4.802 -8.734 1.00 0.00 N ATOM 348 CA LEU A 87 -1.484 5.685 -8.117 1.00 0.00 C ATOM 349 C LEU A 87 -1.414 7.084 -8.719 1.00 0.00 C ATOM 350 O LEU A 87 -1.615 8.080 -8.025 1.00 0.00 O ATOM 351 CB LEU A 87 -1.258 5.755 -6.606 1.00 0.00 C ATOM 352 CG LEU A 87 -1.887 4.633 -5.779 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.259 4.572 -4.396 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.393 4.827 -5.675 1.00 0.00 C ATOM 0 H LEU A 87 0.468 5.006 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.475 5.276 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.184 5.758 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.647 6.707 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.697 3.686 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.720 3.768 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.189 4.384 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.417 5.520 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.824 4.019 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.604 5.782 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.831 4.819 -6.673 1.00 0.00 H new ATOM 366 N SER A 88 -1.129 7.152 -10.016 1.00 0.00 N ATOM 367 CA SER A 88 -1.032 8.429 -10.712 1.00 0.00 C ATOM 368 C SER A 88 -2.415 8.949 -11.089 1.00 0.00 C ATOM 369 O SER A 88 -2.546 9.865 -11.902 1.00 0.00 O ATOM 370 CB SER A 88 -0.168 8.286 -11.966 1.00 0.00 C ATOM 371 OG SER A 88 1.196 8.539 -11.678 1.00 0.00 O ATOM 0 H SER A 88 -0.961 6.337 -10.606 1.00 0.00 H new ATOM 0 HA SER A 88 -0.565 9.147 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.276 7.281 -12.373 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.516 8.979 -12.732 1.00 0.00 H new ATOM 0 HG SER A 88 1.377 8.327 -10.738 1.00 0.00 H new ATOM 377 N ASP A 89 -3.445 8.359 -10.494 1.00 0.00 N ATOM 378 CA ASP A 89 -4.820 8.762 -10.766 1.00 0.00 C ATOM 379 C ASP A 89 -5.415 9.503 -9.573 1.00 0.00 C ATOM 380 O ASP A 89 -6.354 10.286 -9.721 1.00 0.00 O ATOM 381 CB ASP A 89 -5.676 7.539 -11.101 1.00 0.00 C ATOM 382 CG ASP A 89 -5.497 7.083 -12.535 1.00 0.00 C ATOM 383 OD1 ASP A 89 -4.380 6.645 -12.884 1.00 0.00 O ATOM 384 OD2 ASP A 89 -6.474 7.162 -13.309 1.00 0.00 O ATOM 0 H ASP A 89 -3.354 7.599 -9.819 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.812 9.436 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.416 6.722 -10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.726 7.775 -10.926 1.00 0.00 H new ATOM 389 N TYR A 90 -4.864 9.251 -8.391 1.00 0.00 N ATOM 390 CA TYR A 90 -5.342 9.892 -7.172 1.00 0.00 C ATOM 391 C TYR A 90 -4.325 10.903 -6.653 1.00 0.00 C ATOM 392 O TYR A 90 -3.242 11.056 -7.217 1.00 0.00 O ATOM 393 CB TYR A 90 -5.628 8.842 -6.097 1.00 0.00 C ATOM 394 CG TYR A 90 -6.405 7.649 -6.608 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.758 6.586 -7.226 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.786 7.585 -6.471 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.464 5.495 -7.694 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.500 6.497 -6.935 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.834 5.455 -7.546 1.00 0.00 C ATOM 400 OH TYR A 90 -8.541 4.369 -8.010 1.00 0.00 O ATOM 0 H TYR A 90 -4.085 8.607 -8.251 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.265 10.421 -7.408 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.683 8.497 -5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.186 9.308 -5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.685 6.613 -7.342 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.310 8.400 -5.994 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.946 4.678 -8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.573 6.463 -6.820 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.495 4.497 -7.826 1.00 0.00 H new ATOM 410 N GLU A 91 -4.682 11.590 -5.572 1.00 0.00 N ATOM 411 CA GLU A 91 -3.800 12.587 -4.976 1.00 0.00 C ATOM 412 C GLU A 91 -2.803 11.932 -4.024 1.00 0.00 C ATOM 413 O GLU A 91 -3.172 11.465 -2.946 1.00 0.00 O ATOM 414 CB GLU A 91 -4.618 13.642 -4.228 1.00 0.00 C ATOM 415 CG GLU A 91 -5.029 14.820 -5.095 1.00 0.00 C ATOM 416 CD GLU A 91 -5.955 14.417 -6.227 1.00 0.00 C ATOM 417 OE1 GLU A 91 -5.446 14.004 -7.290 1.00 0.00 O ATOM 418 OE2 GLU A 91 -7.187 14.516 -6.050 1.00 0.00 O ATOM 0 H GLU A 91 -5.574 11.475 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.245 13.070 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.513 13.173 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.036 14.009 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.524 15.568 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.137 15.289 -5.510 1.00 0.00 H new ATOM 425 N LEU A 92 -1.539 11.902 -4.431 1.00 0.00 N ATOM 426 CA LEU A 92 -0.487 11.304 -3.615 1.00 0.00 C ATOM 427 C LEU A 92 0.109 12.330 -2.658 1.00 0.00 C ATOM 428 O LEU A 92 1.036 13.060 -3.011 1.00 0.00 O ATOM 429 CB LEU A 92 0.611 10.724 -4.509 1.00 0.00 C ATOM 430 CG LEU A 92 0.296 9.385 -5.176 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.328 9.066 -6.246 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.239 8.272 -4.139 1.00 0.00 C ATOM 0 H LEU A 92 -1.217 12.284 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.930 10.501 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.839 11.451 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.514 10.605 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.681 9.460 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.087 8.109 -6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.320 9.849 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.317 9.011 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.014 7.326 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.201 8.197 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.539 8.495 -3.409 1.00 0.00 H new ATOM 444 N LYS A 93 -0.426 12.380 -1.443 1.00 0.00 N ATOM 445 CA LYS A 93 0.055 13.314 -0.432 1.00 0.00 C ATOM 446 C LYS A 93 1.421 12.888 0.097 1.00 0.00 C ATOM 447 O LYS A 93 2.293 13.724 0.334 1.00 0.00 O ATOM 448 CB LYS A 93 -0.945 13.406 0.724 1.00 0.00 C ATOM 449 CG LYS A 93 -2.145 14.285 0.420 1.00 0.00 C ATOM 450 CD LYS A 93 -1.797 15.761 0.524 1.00 0.00 C ATOM 451 CE LYS A 93 -3.044 16.620 0.659 1.00 0.00 C ATOM 452 NZ LYS A 93 -2.826 18.000 0.143 1.00 0.00 N ATOM 0 H LYS A 93 -1.194 11.784 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 93 0.155 14.294 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.293 12.404 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.434 13.794 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.512 14.067 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.953 14.051 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.148 15.923 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.237 16.067 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.866 16.155 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.341 16.667 1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.699 18.554 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.059 18.454 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.567 17.957 -0.863 1.00 0.00 H new ATOM 466 N TYR A 94 1.600 11.584 0.278 1.00 0.00 N ATOM 467 CA TYR A 94 2.860 11.048 0.779 1.00 0.00 C ATOM 468 C TYR A 94 3.205 9.733 0.088 1.00 0.00 C ATOM 469 O TYR A 94 2.360 8.847 -0.044 1.00 0.00 O ATOM 470 CB TYR A 94 2.782 10.837 2.292 1.00 0.00 C ATOM 471 CG TYR A 94 3.936 10.036 2.851 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.251 10.423 2.623 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.712 8.892 3.606 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.309 9.693 3.132 1.00 0.00 C ATOM 475 CE2 TYR A 94 4.763 8.157 4.120 1.00 0.00 C ATOM 476 CZ TYR A 94 6.059 8.562 3.880 1.00 0.00 C ATOM 477 OH TYR A 94 7.109 7.832 4.388 1.00 0.00 O ATOM 0 H TYR A 94 0.889 10.879 0.085 1.00 0.00 H new ATOM 0 HA TYR A 94 3.646 11.770 0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.752 11.809 2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.848 10.329 2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.450 11.309 2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.698 8.571 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.325 10.007 2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.571 7.271 4.706 1.00 0.00 H new ATOM 0 HH TYR A 94 7.717 7.584 3.661 1.00 0.00 H new ATOM 487 N CYS A 95 4.453 9.613 -0.352 1.00 0.00 N ATOM 488 CA CYS A 95 4.912 8.406 -1.030 1.00 0.00 C ATOM 489 C CYS A 95 6.124 7.811 -0.320 1.00 0.00 C ATOM 490 O CYS A 95 7.100 8.509 -0.043 1.00 0.00 O ATOM 491 CB CYS A 95 5.261 8.716 -2.486 1.00 0.00 C ATOM 492 SG CYS A 95 6.735 9.743 -2.690 1.00 0.00 S ATOM 0 H CYS A 95 5.165 10.337 -0.251 1.00 0.00 H new ATOM 0 HA CYS A 95 4.104 7.675 -1.005 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.408 7.778 -3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.414 9.219 -2.952 1.00 0.00 H new ATOM 0 HG CYS A 95 6.966 9.924 -3.956 1.00 0.00 H new ATOM 498 N PHE A 96 6.054 6.517 -0.025 1.00 0.00 N ATOM 499 CA PHE A 96 7.144 5.828 0.655 1.00 0.00 C ATOM 500 C PHE A 96 7.383 4.450 0.045 1.00 0.00 C ATOM 501 O PHE A 96 6.442 3.691 -0.190 1.00 0.00 O ATOM 502 CB PHE A 96 6.836 5.690 2.148 1.00 0.00 C ATOM 503 CG PHE A 96 8.038 5.341 2.979 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.151 6.167 2.991 1.00 0.00 C ATOM 505 CD2 PHE A 96 8.054 4.189 3.747 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.258 5.848 3.754 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.158 3.865 4.513 1.00 0.00 C ATOM 508 CZ PHE A 96 10.261 4.696 4.517 1.00 0.00 C ATOM 0 H PHE A 96 5.254 5.925 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 96 8.049 6.423 0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.413 6.626 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.075 4.922 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.153 7.069 2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.194 3.536 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.120 6.499 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.158 2.963 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.125 4.446 5.116 1.00 0.00 H new ATOM 518 N VAL A 97 8.648 4.133 -0.211 1.00 0.00 N ATOM 519 CA VAL A 97 9.011 2.847 -0.794 1.00 0.00 C ATOM 520 C VAL A 97 10.186 2.220 -0.052 1.00 0.00 C ATOM 521 O VAL A 97 11.284 2.775 -0.024 1.00 0.00 O ATOM 522 CB VAL A 97 9.376 2.989 -2.284 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.886 1.667 -2.837 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.179 3.484 -3.080 1.00 0.00 C ATOM 0 H VAL A 97 9.439 4.749 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 97 8.139 2.200 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 97 10.174 3.726 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.139 1.787 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.773 1.359 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.112 0.907 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.454 3.579 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.358 2.773 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.865 4.455 -2.698 1.00 0.00 H new ATOM 534 N ASP A 98 9.947 1.059 0.548 1.00 0.00 N ATOM 535 CA ASP A 98 10.986 0.354 1.290 1.00 0.00 C ATOM 536 C ASP A 98 11.291 -0.996 0.648 1.00 0.00 C ATOM 537 O ASP A 98 10.581 -1.977 0.871 1.00 0.00 O ATOM 538 CB ASP A 98 10.558 0.155 2.745 1.00 0.00 C ATOM 539 CG ASP A 98 11.579 -0.627 3.547 1.00 0.00 C ATOM 540 OD1 ASP A 98 12.370 -1.374 2.933 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.587 -0.494 4.789 1.00 0.00 O ATOM 0 H ASP A 98 9.043 0.586 0.535 1.00 0.00 H new ATOM 0 HA ASP A 98 11.891 0.961 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.402 1.128 3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.602 -0.368 2.771 1.00 0.00 H new ATOM 546 N LYS A 99 12.351 -1.039 -0.152 1.00 0.00 N ATOM 547 CA LYS A 99 12.751 -2.268 -0.827 1.00 0.00 C ATOM 548 C LYS A 99 13.253 -3.302 0.176 1.00 0.00 C ATOM 549 O LYS A 99 12.944 -4.488 0.067 1.00 0.00 O ATOM 550 CB LYS A 99 13.841 -1.974 -1.861 1.00 0.00 C ATOM 551 CG LYS A 99 15.145 -1.491 -1.249 1.00 0.00 C ATOM 552 CD LYS A 99 16.076 -0.916 -2.304 1.00 0.00 C ATOM 553 CE LYS A 99 15.793 0.557 -2.553 1.00 0.00 C ATOM 554 NZ LYS A 99 16.638 1.106 -3.650 1.00 0.00 N ATOM 0 H LYS A 99 12.949 -0.236 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 99 11.877 -2.675 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.034 -2.877 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.475 -1.220 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.935 -0.732 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.638 -2.319 -0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.111 -1.040 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.961 -1.472 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.741 0.687 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.974 1.121 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.415 2.112 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.642 1.005 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.447 0.584 -4.529 1.00 0.00 H new ATOM 568 N TYR A 100 14.027 -2.843 1.154 1.00 0.00 N ATOM 569 CA TYR A 100 14.572 -3.729 2.176 1.00 0.00 C ATOM 570 C TYR A 100 13.548 -4.783 2.586 1.00 0.00 C ATOM 571 O TYR A 100 13.725 -5.973 2.323 1.00 0.00 O ATOM 572 CB TYR A 100 15.007 -2.921 3.401 1.00 0.00 C ATOM 573 CG TYR A 100 15.807 -1.685 3.058 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.969 -1.774 2.301 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.402 -0.429 3.491 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.704 -0.648 1.986 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.130 0.703 3.179 1.00 0.00 C ATOM 578 CZ TYR A 100 17.280 0.589 2.427 1.00 0.00 C ATOM 579 OH TYR A 100 18.009 1.714 2.116 1.00 0.00 O ATOM 0 H TYR A 100 14.291 -1.863 1.260 1.00 0.00 H new ATOM 0 HA TYR A 100 15.440 -4.236 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.122 -2.626 3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.602 -3.559 4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.303 -2.740 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.503 -0.336 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.606 -0.735 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.800 1.672 3.522 1.00 0.00 H new ATOM 0 HH TYR A 100 17.574 2.503 2.501 1.00 0.00 H new ATOM 589 N LYS A 101 12.475 -4.337 3.231 1.00 0.00 N ATOM 590 CA LYS A 101 11.420 -5.240 3.676 1.00 0.00 C ATOM 591 C LYS A 101 10.645 -5.799 2.488 1.00 0.00 C ATOM 592 O LYS A 101 10.269 -6.970 2.475 1.00 0.00 O ATOM 593 CB LYS A 101 10.465 -4.511 4.625 1.00 0.00 C ATOM 594 CG LYS A 101 11.153 -3.909 5.837 1.00 0.00 C ATOM 595 CD LYS A 101 11.312 -4.928 6.952 1.00 0.00 C ATOM 596 CE LYS A 101 12.512 -4.611 7.831 1.00 0.00 C ATOM 597 NZ LYS A 101 12.271 -3.417 8.688 1.00 0.00 N ATOM 0 H LYS A 101 12.313 -3.356 3.457 1.00 0.00 H new ATOM 0 HA LYS A 101 11.886 -6.071 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.956 -3.719 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.699 -5.209 4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.133 -3.528 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.575 -3.059 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.408 -4.946 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.427 -5.923 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.738 -5.471 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.386 -4.437 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.112 -3.234 9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.080 -2.590 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.452 -3.592 9.305 1.00 0.00 H new ATOM 611 N GLY A 102 10.410 -4.953 1.489 1.00 0.00 N ATOM 612 CA GLY A 102 9.682 -5.383 0.309 1.00 0.00 C ATOM 613 C GLY A 102 8.238 -4.923 0.320 1.00 0.00 C ATOM 614 O GLY A 102 7.349 -5.630 -0.158 1.00 0.00 O ATOM 0 H GLY A 102 10.711 -3.978 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.177 -4.995 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.713 -6.471 0.243 1.00 0.00 H new ATOM 618 N THR A 103 8.000 -3.735 0.868 1.00 0.00 N ATOM 619 CA THR A 103 6.654 -3.183 0.942 1.00 0.00 C ATOM 620 C THR A 103 6.645 -1.704 0.574 1.00 0.00 C ATOM 621 O THR A 103 7.697 -1.076 0.464 1.00 0.00 O ATOM 622 CB THR A 103 6.053 -3.354 2.350 1.00 0.00 C ATOM 623 OG1 THR A 103 6.791 -2.573 3.296 1.00 0.00 O ATOM 624 CG2 THR A 103 6.067 -4.816 2.770 1.00 0.00 C ATOM 0 H THR A 103 8.723 -3.137 1.267 1.00 0.00 H new ATOM 0 HA THR A 103 6.046 -3.736 0.226 1.00 0.00 H new ATOM 0 HB THR A 103 5.019 -3.010 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.214 -1.870 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.638 -4.912 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.480 -5.403 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.094 -5.182 2.780 1.00 0.00 H new ATOM 632 N ALA A 104 5.450 -1.153 0.386 1.00 0.00 N ATOM 633 CA ALA A 104 5.305 0.254 0.034 1.00 0.00 C ATOM 634 C ALA A 104 4.143 0.892 0.788 1.00 0.00 C ATOM 635 O ALA A 104 3.031 0.363 0.796 1.00 0.00 O ATOM 636 CB ALA A 104 5.109 0.405 -1.467 1.00 0.00 C ATOM 0 H ALA A 104 4.569 -1.660 0.472 1.00 0.00 H new ATOM 0 HA ALA A 104 6.220 0.771 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.002 1.461 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.973 -0.005 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.211 -0.132 -1.773 1.00 0.00 H new ATOM 642 N PHE A 105 4.407 2.030 1.421 1.00 0.00 N ATOM 643 CA PHE A 105 3.383 2.739 2.179 1.00 0.00 C ATOM 644 C PHE A 105 3.030 4.064 1.510 1.00 0.00 C ATOM 645 O PHE A 105 3.900 4.899 1.264 1.00 0.00 O ATOM 646 CB PHE A 105 3.860 2.989 3.611 1.00 0.00 C ATOM 647 CG PHE A 105 4.162 1.729 4.371 1.00 0.00 C ATOM 648 CD1 PHE A 105 3.160 1.059 5.055 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.448 1.214 4.401 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.436 -0.100 5.755 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.730 0.055 5.099 1.00 0.00 C ATOM 652 CZ PHE A 105 4.722 -0.603 5.777 1.00 0.00 C ATOM 0 H PHE A 105 5.322 2.481 1.424 1.00 0.00 H new ATOM 0 HA PHE A 105 2.489 2.116 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.755 3.611 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.096 3.553 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.152 1.447 5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.240 1.724 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.646 -0.612 6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.737 -0.336 5.114 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.939 -1.509 6.323 1.00 0.00 H new ATOM 662 N VAL A 106 1.747 4.249 1.217 1.00 0.00 N ATOM 663 CA VAL A 106 1.278 5.472 0.576 1.00 0.00 C ATOM 664 C VAL A 106 0.076 6.052 1.313 1.00 0.00 C ATOM 665 O VAL A 106 -0.850 5.328 1.682 1.00 0.00 O ATOM 666 CB VAL A 106 0.893 5.223 -0.894 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.454 6.520 -1.558 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.054 4.595 -1.649 1.00 0.00 C ATOM 0 H VAL A 106 1.014 3.568 1.413 1.00 0.00 H new ATOM 0 HA VAL A 106 2.102 6.185 0.612 1.00 0.00 H new ATOM 0 HB VAL A 106 0.054 4.528 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.186 6.325 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.409 6.925 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.271 7.241 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.765 4.426 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.914 5.264 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.317 3.644 -1.186 1.00 0.00 H new ATOM 678 N THR A 107 0.095 7.364 1.526 1.00 0.00 N ATOM 679 CA THR A 107 -0.992 8.042 2.220 1.00 0.00 C ATOM 680 C THR A 107 -1.775 8.941 1.269 1.00 0.00 C ATOM 681 O THR A 107 -1.241 9.917 0.741 1.00 0.00 O ATOM 682 CB THR A 107 -0.468 8.889 3.394 1.00 0.00 C ATOM 683 OG1 THR A 107 0.508 8.148 4.135 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.606 9.301 4.316 1.00 0.00 C ATOM 0 H THR A 107 0.852 7.978 1.227 1.00 0.00 H new ATOM 0 HA THR A 107 -1.651 7.266 2.608 1.00 0.00 H new ATOM 0 HB THR A 107 -0.008 9.789 2.986 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.838 8.694 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.211 9.898 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.333 9.890 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.091 8.410 4.716 1.00 0.00 H new ATOM 692 N LEU A 108 -3.043 8.607 1.056 1.00 0.00 N ATOM 693 CA LEU A 108 -3.900 9.385 0.169 1.00 0.00 C ATOM 694 C LEU A 108 -4.570 10.529 0.924 1.00 0.00 C ATOM 695 O LEU A 108 -4.352 10.707 2.123 1.00 0.00 O ATOM 696 CB LEU A 108 -4.963 8.485 -0.464 1.00 0.00 C ATOM 697 CG LEU A 108 -4.580 7.826 -1.790 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.472 6.625 -2.066 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.668 8.830 -2.930 1.00 0.00 C ATOM 0 H LEU A 108 -3.500 7.803 1.485 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.277 9.810 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.218 7.701 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.865 9.077 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.549 7.479 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.185 6.169 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.359 5.896 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.512 6.948 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.392 8.343 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.688 9.208 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.987 9.659 -2.738 1.00 0.00 H new ATOM 711 N LEU A 109 -5.388 11.299 0.216 1.00 0.00 N ATOM 712 CA LEU A 109 -6.093 12.425 0.820 1.00 0.00 C ATOM 713 C LEU A 109 -7.251 11.940 1.687 1.00 0.00 C ATOM 714 O LEU A 109 -7.223 12.075 2.909 1.00 0.00 O ATOM 715 CB LEU A 109 -6.614 13.368 -0.266 1.00 0.00 C ATOM 716 CG LEU A 109 -7.662 14.389 0.178 1.00 0.00 C ATOM 717 CD1 LEU A 109 -7.018 15.490 1.005 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.380 14.976 -1.029 1.00 0.00 C ATOM 0 H LEU A 109 -5.580 11.165 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.390 12.965 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.766 13.908 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.040 12.766 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.397 13.879 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.779 16.207 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.551 15.055 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.261 15.998 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.122 15.701 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.657 15.471 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.876 14.178 -1.581 1.00 0.00 H new ATOM 730 N ASN A 110 -8.268 11.374 1.045 1.00 0.00 N ATOM 731 CA ASN A 110 -9.435 10.868 1.757 1.00 0.00 C ATOM 732 C ASN A 110 -9.416 9.344 1.819 1.00 0.00 C ATOM 733 O ASN A 110 -8.455 8.707 1.389 1.00 0.00 O ATOM 734 CB ASN A 110 -10.720 11.346 1.078 1.00 0.00 C ATOM 735 CG ASN A 110 -10.713 11.090 -0.417 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.704 9.943 -0.862 1.00 0.00 O ATOM 737 ND2 ASN A 110 -10.718 12.163 -1.200 1.00 0.00 N ATOM 0 H ASN A 110 -8.307 11.254 0.033 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.404 11.256 2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.575 10.840 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.849 12.413 1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.714 12.054 -2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.725 13.096 -0.787 1.00 0.00 H new ATOM 744 N GLY A 111 -10.485 8.765 2.358 1.00 0.00 N ATOM 745 CA GLY A 111 -10.571 7.320 2.466 1.00 0.00 C ATOM 746 C GLY A 111 -11.115 6.676 1.207 1.00 0.00 C ATOM 747 O GLY A 111 -10.815 5.519 0.915 1.00 0.00 O ATOM 0 H GLY A 111 -11.293 9.271 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.582 6.915 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.211 7.059 3.309 1.00 0.00 H new ATOM 751 N GLU A 112 -11.918 7.427 0.459 1.00 0.00 N ATOM 752 CA GLU A 112 -12.506 6.919 -0.775 1.00 0.00 C ATOM 753 C GLU A 112 -11.422 6.480 -1.755 1.00 0.00 C ATOM 754 O GLU A 112 -11.503 5.403 -2.343 1.00 0.00 O ATOM 755 CB GLU A 112 -13.391 7.988 -1.421 1.00 0.00 C ATOM 756 CG GLU A 112 -14.478 8.516 -0.501 1.00 0.00 C ATOM 757 CD GLU A 112 -15.715 8.964 -1.256 1.00 0.00 C ATOM 758 OE1 GLU A 112 -16.341 8.115 -1.924 1.00 0.00 O ATOM 759 OE2 GLU A 112 -16.056 10.163 -1.179 1.00 0.00 O ATOM 0 H GLU A 112 -12.176 8.388 0.686 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.118 6.052 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.765 8.820 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.854 7.572 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.754 7.739 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.086 9.354 0.076 1.00 0.00 H new ATOM 766 N GLN A 113 -10.409 7.324 -1.924 1.00 0.00 N ATOM 767 CA GLN A 113 -9.309 7.024 -2.833 1.00 0.00 C ATOM 768 C GLN A 113 -8.497 5.835 -2.330 1.00 0.00 C ATOM 769 O GLN A 113 -7.984 5.042 -3.120 1.00 0.00 O ATOM 770 CB GLN A 113 -8.403 8.245 -2.992 1.00 0.00 C ATOM 771 CG GLN A 113 -9.102 9.446 -3.609 1.00 0.00 C ATOM 772 CD GLN A 113 -8.171 10.625 -3.807 1.00 0.00 C ATOM 773 OE1 GLN A 113 -7.706 10.884 -4.918 1.00 0.00 O ATOM 774 NE2 GLN A 113 -7.894 11.349 -2.729 1.00 0.00 N ATOM 0 H GLN A 113 -10.327 8.220 -1.444 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.733 6.767 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -8.011 8.526 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.548 7.974 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.528 9.159 -4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.932 9.747 -2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.301 11.099 -1.828 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.274 12.156 -2.802 1.00 0.00 H new ATOM 783 N ALA A 114 -8.383 5.717 -1.012 1.00 0.00 N ATOM 784 CA ALA A 114 -7.634 4.624 -0.404 1.00 0.00 C ATOM 785 C ALA A 114 -8.331 3.287 -0.634 1.00 0.00 C ATOM 786 O ALA A 114 -7.687 2.290 -0.959 1.00 0.00 O ATOM 787 CB ALA A 114 -7.449 4.875 1.085 1.00 0.00 C ATOM 0 H ALA A 114 -8.800 6.365 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.654 4.580 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.888 4.051 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.902 5.806 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.425 4.948 1.566 1.00 0.00 H new ATOM 793 N GLU A 115 -9.649 3.274 -0.461 1.00 0.00 N ATOM 794 CA GLU A 115 -10.431 2.058 -0.648 1.00 0.00 C ATOM 795 C GLU A 115 -10.350 1.576 -2.094 1.00 0.00 C ATOM 796 O GLU A 115 -10.167 0.388 -2.354 1.00 0.00 O ATOM 797 CB GLU A 115 -11.892 2.300 -0.261 1.00 0.00 C ATOM 798 CG GLU A 115 -12.841 1.225 -0.764 1.00 0.00 C ATOM 799 CD GLU A 115 -14.059 1.060 0.124 1.00 0.00 C ATOM 800 OE1 GLU A 115 -13.880 0.869 1.345 1.00 0.00 O ATOM 801 OE2 GLU A 115 -15.190 1.122 -0.402 1.00 0.00 O ATOM 0 H GLU A 115 -10.197 4.091 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.014 1.286 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.966 2.359 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.208 3.266 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.164 1.475 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.309 0.276 -0.825 1.00 0.00 H new ATOM 808 N ALA A 116 -10.490 2.509 -3.031 1.00 0.00 N ATOM 809 CA ALA A 116 -10.431 2.181 -4.450 1.00 0.00 C ATOM 810 C ALA A 116 -9.077 1.585 -4.820 1.00 0.00 C ATOM 811 O ALA A 116 -9.002 0.595 -5.546 1.00 0.00 O ATOM 812 CB ALA A 116 -10.713 3.418 -5.289 1.00 0.00 C ATOM 0 H ALA A 116 -10.645 3.497 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.196 1.433 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.666 3.159 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.707 3.799 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.969 4.184 -5.070 1.00 0.00 H new ATOM 818 N ALA A 117 -8.009 2.196 -4.317 1.00 0.00 N ATOM 819 CA ALA A 117 -6.658 1.726 -4.594 1.00 0.00 C ATOM 820 C ALA A 117 -6.421 0.348 -3.985 1.00 0.00 C ATOM 821 O ALA A 117 -5.848 -0.534 -4.625 1.00 0.00 O ATOM 822 CB ALA A 117 -5.634 2.721 -4.068 1.00 0.00 C ATOM 0 H ALA A 117 -8.054 3.018 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.544 1.642 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.629 2.357 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.781 3.686 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.757 2.835 -2.991 1.00 0.00 H new ATOM 828 N ILE A 118 -6.864 0.171 -2.745 1.00 0.00 N ATOM 829 CA ILE A 118 -6.700 -1.100 -2.050 1.00 0.00 C ATOM 830 C ILE A 118 -7.553 -2.190 -2.689 1.00 0.00 C ATOM 831 O ILE A 118 -7.119 -3.333 -2.823 1.00 0.00 O ATOM 832 CB ILE A 118 -7.072 -0.979 -0.560 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.116 -0.019 0.151 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.047 -2.348 0.104 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.627 0.460 1.491 1.00 0.00 C ATOM 0 H ILE A 118 -7.339 0.891 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.647 -1.371 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.083 -0.577 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.156 -0.515 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.937 0.844 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.312 -2.247 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.764 -3.005 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.047 -2.775 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.898 1.137 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.573 0.984 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.779 -0.395 2.149 1.00 0.00 H new ATOM 847 N ASN A 119 -8.770 -1.827 -3.082 1.00 0.00 N ATOM 848 CA ASN A 119 -9.685 -2.775 -3.709 1.00 0.00 C ATOM 849 C ASN A 119 -9.075 -3.361 -4.979 1.00 0.00 C ATOM 850 O ASN A 119 -9.139 -4.569 -5.212 1.00 0.00 O ATOM 851 CB ASN A 119 -11.014 -2.091 -4.036 1.00 0.00 C ATOM 852 CG ASN A 119 -12.186 -3.053 -3.988 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.008 -4.269 -4.052 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.392 -2.510 -3.876 1.00 0.00 N ATOM 0 H ASN A 119 -9.145 -0.884 -2.978 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.866 -3.588 -3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.185 -1.279 -3.330 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.955 -1.644 -5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.219 -3.107 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.492 -1.496 -3.826 1.00 0.00 H new ATOM 861 N THR A 120 -8.482 -2.497 -5.797 1.00 0.00 N ATOM 862 CA THR A 120 -7.862 -2.929 -7.044 1.00 0.00 C ATOM 863 C THR A 120 -6.499 -3.563 -6.788 1.00 0.00 C ATOM 864 O THR A 120 -6.205 -4.649 -7.288 1.00 0.00 O ATOM 865 CB THR A 120 -7.693 -1.752 -8.023 1.00 0.00 C ATOM 866 OG1 THR A 120 -8.924 -1.031 -8.140 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.258 -2.248 -9.394 1.00 0.00 C ATOM 0 H THR A 120 -8.418 -1.495 -5.619 1.00 0.00 H new ATOM 0 HA THR A 120 -8.526 -3.670 -7.489 1.00 0.00 H new ATOM 0 HB THR A 120 -6.921 -1.090 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.051 -0.470 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.145 -1.400 -10.069 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.306 -2.771 -9.306 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.011 -2.929 -9.790 1.00 0.00 H new ATOM 875 N PHE A 121 -5.670 -2.878 -6.007 1.00 0.00 N ATOM 876 CA PHE A 121 -4.337 -3.375 -5.685 1.00 0.00 C ATOM 877 C PHE A 121 -4.418 -4.696 -4.926 1.00 0.00 C ATOM 878 O PHE A 121 -3.532 -5.544 -5.037 1.00 0.00 O ATOM 879 CB PHE A 121 -3.572 -2.342 -4.856 1.00 0.00 C ATOM 880 CG PHE A 121 -3.429 -1.012 -5.538 1.00 0.00 C ATOM 881 CD1 PHE A 121 -3.722 -0.874 -6.885 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.002 0.101 -4.832 1.00 0.00 C ATOM 883 CE1 PHE A 121 -3.590 0.349 -7.515 1.00 0.00 C ATOM 884 CE2 PHE A 121 -2.869 1.327 -5.457 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.164 1.451 -6.800 1.00 0.00 C ATOM 0 H PHE A 121 -5.898 -1.977 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 121 -3.804 -3.547 -6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.085 -2.200 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.580 -2.733 -4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.057 -1.732 -7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -2.770 0.010 -3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -3.820 0.443 -8.566 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.535 2.187 -4.895 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.062 2.408 -7.290 1.00 0.00 H new ATOM 895 N HIS A 122 -5.486 -4.863 -4.153 1.00 0.00 N ATOM 896 CA HIS A 122 -5.684 -6.081 -3.374 1.00 0.00 C ATOM 897 C HIS A 122 -5.972 -7.269 -4.287 1.00 0.00 C ATOM 898 O HIS A 122 -6.438 -7.099 -5.413 1.00 0.00 O ATOM 899 CB HIS A 122 -6.831 -5.896 -2.381 1.00 0.00 C ATOM 900 CG HIS A 122 -7.197 -7.149 -1.648 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.271 -7.937 -0.996 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.396 -7.750 -1.464 1.00 0.00 C ATOM 903 CE1 HIS A 122 -6.885 -8.968 -0.444 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.175 -8.879 -0.713 1.00 0.00 N ATOM 0 H HIS A 122 -6.228 -4.171 -4.049 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.766 -6.283 -2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.554 -5.129 -1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.707 -5.528 -2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.349 -7.406 -1.838 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -6.412 -9.751 0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -8.891 -9.541 -0.412 1.00 0.00 H new ATOM 913 N GLN A 123 -5.690 -8.470 -3.793 1.00 0.00 N ATOM 914 CA GLN A 123 -5.918 -9.686 -4.566 1.00 0.00 C ATOM 915 C GLN A 123 -5.412 -9.525 -5.995 1.00 0.00 C ATOM 916 O GLN A 123 -5.964 -10.107 -6.929 1.00 0.00 O ATOM 917 CB GLN A 123 -7.407 -10.037 -4.576 1.00 0.00 C ATOM 918 CG GLN A 123 -8.269 -9.011 -5.294 1.00 0.00 C ATOM 919 CD GLN A 123 -9.633 -9.556 -5.670 1.00 0.00 C ATOM 920 OE1 GLN A 123 -9.930 -9.758 -6.848 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.472 -9.797 -4.669 1.00 0.00 N ATOM 0 H GLN A 123 -5.304 -8.628 -2.862 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.364 -10.497 -4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.540 -11.008 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.755 -10.136 -3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.395 -8.137 -4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.755 -8.676 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.184 -9.615 -3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.404 -10.164 -4.862 1.00 0.00 H new ATOM 930 N SER A 124 -4.358 -8.732 -6.159 1.00 0.00 N ATOM 931 CA SER A 124 -3.779 -8.491 -7.476 1.00 0.00 C ATOM 932 C SER A 124 -2.557 -9.375 -7.702 1.00 0.00 C ATOM 933 O SER A 124 -2.119 -10.090 -6.800 1.00 0.00 O ATOM 934 CB SER A 124 -3.392 -7.018 -7.625 1.00 0.00 C ATOM 935 OG SER A 124 -2.205 -6.728 -6.907 1.00 0.00 O ATOM 0 H SER A 124 -3.887 -8.245 -5.396 1.00 0.00 H new ATOM 0 HA SER A 124 -4.529 -8.740 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.250 -6.781 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.203 -6.387 -7.263 1.00 0.00 H new ATOM 0 HG SER A 124 -2.431 -6.494 -5.982 1.00 0.00 H new ATOM 941 N ARG A 125 -2.011 -9.321 -8.912 1.00 0.00 N ATOM 942 CA ARG A 125 -0.840 -10.118 -9.259 1.00 0.00 C ATOM 943 C ARG A 125 0.137 -9.308 -10.107 1.00 0.00 C ATOM 944 O ARG A 125 -0.268 -8.439 -10.880 1.00 0.00 O ATOM 945 CB ARG A 125 -1.260 -11.381 -10.012 1.00 0.00 C ATOM 946 CG ARG A 125 -2.029 -12.374 -9.155 1.00 0.00 C ATOM 947 CD ARG A 125 -2.383 -13.628 -9.937 1.00 0.00 C ATOM 948 NE ARG A 125 -3.366 -13.361 -10.984 1.00 0.00 N ATOM 949 CZ ARG A 125 -3.687 -14.235 -11.932 1.00 0.00 C ATOM 950 NH1 ARG A 125 -3.106 -15.426 -11.963 1.00 0.00 N ATOM 951 NH2 ARG A 125 -4.591 -13.918 -12.850 1.00 0.00 N ATOM 0 H ARG A 125 -2.361 -8.734 -9.669 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.340 -10.405 -8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.876 -11.097 -10.865 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.370 -11.870 -10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.432 -12.644 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.941 -11.906 -8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.480 -14.043 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.776 -14.382 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.832 -12.454 -10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.411 -15.673 -11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.354 -16.096 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.040 -13.003 -12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.837 -14.590 -13.577 1.00 0.00 H new ATOM 965 N LEU A 126 1.424 -9.599 -9.957 1.00 0.00 N ATOM 966 CA LEU A 126 2.459 -8.898 -10.709 1.00 0.00 C ATOM 967 C LEU A 126 3.614 -9.835 -11.048 1.00 0.00 C ATOM 968 O LEU A 126 4.304 -10.334 -10.159 1.00 0.00 O ATOM 969 CB LEU A 126 2.977 -7.702 -9.909 1.00 0.00 C ATOM 970 CG LEU A 126 4.320 -7.125 -10.357 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.147 -6.276 -11.606 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.950 -6.308 -9.238 1.00 0.00 C ATOM 0 H LEU A 126 1.776 -10.315 -9.322 1.00 0.00 H new ATOM 0 HA LEU A 126 2.018 -8.541 -11.640 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.230 -6.909 -9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.063 -7.999 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 126 4.987 -7.953 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.114 -5.874 -11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.741 -6.890 -12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.462 -5.454 -11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.905 -5.905 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.285 -5.488 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.111 -6.945 -8.369 1.00 0.00 H new ATOM 984 N ARG A 127 3.820 -10.068 -12.341 1.00 0.00 N ATOM 985 CA ARG A 127 4.893 -10.944 -12.798 1.00 0.00 C ATOM 986 C ARG A 127 4.703 -12.360 -12.263 1.00 0.00 C ATOM 987 O ARG A 127 5.639 -12.969 -11.745 1.00 0.00 O ATOM 988 CB ARG A 127 6.251 -10.398 -12.353 1.00 0.00 C ATOM 989 CG ARG A 127 6.603 -9.059 -12.980 1.00 0.00 C ATOM 990 CD ARG A 127 7.893 -8.496 -12.404 1.00 0.00 C ATOM 991 NE ARG A 127 9.046 -9.332 -12.725 1.00 0.00 N ATOM 992 CZ ARG A 127 10.296 -8.882 -12.754 1.00 0.00 C ATOM 993 NH1 ARG A 127 10.551 -7.609 -12.482 1.00 0.00 N ATOM 994 NH2 ARG A 127 11.292 -9.705 -13.054 1.00 0.00 N ATOM 0 H ARG A 127 3.258 -9.663 -13.090 1.00 0.00 H new ATOM 0 HA ARG A 127 4.862 -10.977 -13.887 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.254 -10.294 -11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.025 -11.123 -12.605 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.706 -9.177 -14.059 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.790 -8.353 -12.813 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.055 -7.490 -12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.799 -8.408 -11.322 1.00 0.00 H new ATOM 0 HE ARG A 127 8.883 -10.316 -12.939 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.787 -6.974 -12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.511 -7.265 -12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.099 -10.685 -13.263 1.00 0.00 H new ATOM 0 HH22 ARG A 127 12.251 -9.358 -13.076 1.00 0.00 H new ATOM 1008 N GLU A 128 3.485 -12.878 -12.392 1.00 0.00 N ATOM 1009 CA GLU A 128 3.173 -14.222 -11.920 1.00 0.00 C ATOM 1010 C GLU A 128 3.444 -14.350 -10.424 1.00 0.00 C ATOM 1011 O GLU A 128 4.188 -15.230 -9.990 1.00 0.00 O ATOM 1012 CB GLU A 128 3.993 -15.260 -12.689 1.00 0.00 C ATOM 1013 CG GLU A 128 3.612 -15.372 -14.156 1.00 0.00 C ATOM 1014 CD GLU A 128 4.614 -16.178 -14.959 1.00 0.00 C ATOM 1015 OE1 GLU A 128 4.549 -17.424 -14.911 1.00 0.00 O ATOM 1016 OE2 GLU A 128 5.464 -15.562 -15.635 1.00 0.00 O ATOM 0 H GLU A 128 2.699 -12.388 -12.819 1.00 0.00 H new ATOM 0 HA GLU A 128 2.113 -14.404 -12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.050 -15.003 -12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.868 -16.233 -12.215 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.629 -15.836 -14.238 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.529 -14.373 -14.583 1.00 0.00 H new ATOM 1023 N ARG A 129 2.836 -13.465 -9.640 1.00 0.00 N ATOM 1024 CA ARG A 129 3.013 -13.478 -8.193 1.00 0.00 C ATOM 1025 C ARG A 129 1.790 -12.894 -7.491 1.00 0.00 C ATOM 1026 O ARG A 129 1.090 -12.048 -8.046 1.00 0.00 O ATOM 1027 CB ARG A 129 4.263 -12.687 -7.804 1.00 0.00 C ATOM 1028 CG ARG A 129 4.003 -11.206 -7.582 1.00 0.00 C ATOM 1029 CD ARG A 129 3.645 -10.915 -6.134 1.00 0.00 C ATOM 1030 NE ARG A 129 4.821 -10.914 -5.268 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.795 -10.015 -5.352 1.00 0.00 C ATOM 1032 NH1 ARG A 129 5.733 -9.049 -6.259 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.833 -10.080 -4.529 1.00 0.00 N ATOM 0 H ARG A 129 2.217 -12.730 -9.983 1.00 0.00 H new ATOM 0 HA ARG A 129 3.133 -14.514 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.684 -13.114 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.013 -12.802 -8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 129 4.888 -10.634 -7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.192 -10.876 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.148 -9.947 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.935 -11.662 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 129 4.899 -11.644 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.936 -8.996 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 129 6.482 -8.360 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.884 -10.821 -3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 129 7.580 -9.389 -4.595 1.00 0.00 H new ATOM 1047 N GLU A 130 1.541 -13.353 -6.269 1.00 0.00 N ATOM 1048 CA GLU A 130 0.402 -12.876 -5.492 1.00 0.00 C ATOM 1049 C GLU A 130 0.785 -11.660 -4.655 1.00 0.00 C ATOM 1050 O GLU A 130 1.773 -11.684 -3.919 1.00 0.00 O ATOM 1051 CB GLU A 130 -0.126 -13.989 -4.584 1.00 0.00 C ATOM 1052 CG GLU A 130 -1.486 -13.686 -3.978 1.00 0.00 C ATOM 1053 CD GLU A 130 -2.095 -14.888 -3.282 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -1.326 -15.756 -2.817 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -3.339 -14.961 -3.203 1.00 0.00 O ATOM 0 H GLU A 130 2.111 -14.054 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.383 -12.582 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.191 -14.914 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.590 -14.161 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.387 -12.869 -3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.161 -13.344 -4.762 1.00 0.00 H new ATOM 1062 N LEU A 131 -0.002 -10.596 -4.772 1.00 0.00 N ATOM 1063 CA LEU A 131 0.253 -9.369 -4.027 1.00 0.00 C ATOM 1064 C LEU A 131 -0.760 -9.195 -2.900 1.00 0.00 C ATOM 1065 O LEU A 131 -1.964 -9.351 -3.104 1.00 0.00 O ATOM 1066 CB LEU A 131 0.204 -8.160 -4.963 1.00 0.00 C ATOM 1067 CG LEU A 131 1.192 -8.175 -6.130 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.631 -7.402 -7.314 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.533 -7.597 -5.701 1.00 0.00 C ATOM 0 H LEU A 131 -0.823 -10.559 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 131 1.248 -9.441 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.805 -8.080 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.383 -7.261 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 131 1.346 -9.209 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.348 -7.423 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.304 -7.859 -7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.447 -6.369 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.224 -7.616 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.396 -6.569 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.941 -8.192 -4.884 1.00 0.00 H new ATOM 1081 N SER A 132 -0.264 -8.869 -1.710 1.00 0.00 N ATOM 1082 CA SER A 132 -1.126 -8.675 -0.550 1.00 0.00 C ATOM 1083 C SER A 132 -1.197 -7.200 -0.167 1.00 0.00 C ATOM 1084 O SER A 132 -0.172 -6.542 0.010 1.00 0.00 O ATOM 1085 CB SER A 132 -0.615 -9.497 0.634 1.00 0.00 C ATOM 1086 OG SER A 132 -0.982 -10.860 0.505 1.00 0.00 O ATOM 0 H SER A 132 0.730 -8.734 -1.524 1.00 0.00 H new ATOM 0 HA SER A 132 -2.129 -9.013 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.470 -9.414 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.020 -9.094 1.562 1.00 0.00 H new ATOM 0 HG SER A 132 -0.642 -11.364 1.273 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.417 -6.686 -0.040 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.624 -5.289 0.323 1.00 0.00 C ATOM 1094 C VAL A 133 -3.722 -5.151 1.372 1.00 0.00 C ATOM 1095 O VAL A 133 -4.746 -5.830 1.305 1.00 0.00 O ATOM 1096 CB VAL A 133 -2.993 -4.438 -0.906 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.189 -2.983 -0.509 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -1.926 -4.567 -1.983 1.00 0.00 C ATOM 0 H VAL A 133 -3.276 -7.216 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.683 -4.927 0.736 1.00 0.00 H new ATOM 0 HB VAL A 133 -3.934 -4.808 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.449 -2.397 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.992 -2.911 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.266 -2.597 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.203 -3.959 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.969 -4.224 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -1.841 -5.610 -2.288 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.500 -4.267 2.339 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.472 -4.040 3.403 1.00 0.00 C ATOM 1110 C GLN A 134 -4.302 -2.650 4.007 1.00 0.00 C ATOM 1111 O GLN A 134 -3.258 -2.016 3.849 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.325 -5.104 4.492 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.952 -5.122 5.144 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.694 -6.396 5.925 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -2.009 -7.302 5.448 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -3.241 -6.471 7.132 1.00 0.00 N ATOM 0 H GLN A 134 -2.657 -3.697 2.408 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.470 -4.109 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.080 -4.933 5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.526 -6.084 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.187 -5.010 4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.860 -4.266 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -3.801 -5.696 7.487 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.101 -7.304 7.704 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.335 -2.182 4.700 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.300 -0.866 5.329 1.00 0.00 C ATOM 1127 C LEU A 135 -4.183 -0.786 6.364 1.00 0.00 C ATOM 1128 O LEU A 135 -3.906 -1.757 7.067 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.646 -0.559 5.989 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.757 -0.076 5.056 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.117 -0.236 5.718 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.523 1.373 4.655 1.00 0.00 C ATOM 0 H LEU A 135 -6.206 -2.694 4.840 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.105 -0.125 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.992 -1.459 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.487 0.200 6.755 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.741 -0.689 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.895 0.113 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.285 -1.287 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.146 0.351 6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.323 1.700 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.512 2.000 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.566 1.458 4.140 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.547 0.378 6.452 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.461 0.585 7.402 1.00 0.00 C ATOM 1146 C GLN A 136 -2.927 0.313 8.829 1.00 0.00 C ATOM 1147 O GLN A 136 -4.033 0.680 9.227 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.923 2.012 7.292 1.00 0.00 C ATOM 1149 CG GLN A 136 -0.588 2.215 7.991 1.00 0.00 C ATOM 1150 CD GLN A 136 -0.134 3.661 7.974 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -0.493 4.426 7.078 1.00 0.00 O ATOM 1152 NE2 GLN A 136 0.659 4.045 8.967 1.00 0.00 N ATOM 0 H GLN A 136 -3.765 1.192 5.877 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.662 -0.116 7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.815 2.270 6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.654 2.701 7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.668 1.875 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 136 0.168 1.595 7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 136 0.932 3.378 9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 136 0.995 5.007 9.008 1.00 0.00 H new