USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 845 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 79 ASN :FLIP amide:sc= -2.12 F(o=-8.3!,f=-5.2) USER MOD Set 1.2: A 81 SER OG : rot 109:sc= -3.05! USER MOD Set 2.1: A 61 ASN :FLIP amide:sc= -0.0571 F(o=-1.6,f=0.26) USER MOD Set 2.2: A 63 GLN :FLIP amide:sc= 0.319 F(o=-1.2,f=0.26) USER MOD Single : A 10 GLN : amide:sc= -0.0415 K(o=-0.042,f=-0.64) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00973 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -4.06! C(o=-5.5!,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.292 X(o=-0.29,f=-0.62) USER MOD Single : A 32 ASN : amide:sc= 0.32 K(o=0.32,f=-0.4) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -175:sc= 0.743 USER MOD Single : A 41 ASN : amide:sc= -0.983 K(o=-0.98,f=-3.1) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -164:sc=-0.00763 (180deg=-0.112) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.17) USER MOD Single : A 57 TYR OH : rot 180:sc=-0.000653 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -6:sc= 0.738 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -123:sc= -1 (180deg=-4.59!) USER MOD Single : A 86 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.2!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 97:sc= 1.1 USER MOD Single : A 94 SER OG : rot 2:sc= 0.202 USER MOD Single : A 95 TYR OH : rot -24:sc= 0.568 USER MOD Single : A 96 THR OG1 : rot 61:sc= 0.145 USER MOD Single : A 98 GLN : amide:sc= -3.03! C(o=-3!,f=-4.8!) USER MOD Single : A 101 LYS NZ :NH3+ -107:sc= -0.91 (180deg=-2.42!) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.127 F(o=-0.72,f=-0.13) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -2.24 F(o=-3,f=-2.2) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.707 15.568 9.411 1.00 0.00 N ATOM 91 CA GLN A 10 1.986 14.790 8.209 1.00 0.00 C ATOM 92 C GLN A 10 0.919 13.722 7.994 1.00 0.00 C ATOM 93 O GLN A 10 0.527 13.023 8.930 1.00 0.00 O ATOM 94 CB GLN A 10 3.366 14.138 8.307 1.00 0.00 C ATOM 95 CG GLN A 10 3.444 13.031 9.346 1.00 0.00 C ATOM 96 CD GLN A 10 4.870 12.680 9.719 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.722 13.558 9.858 1.00 0.00 O ATOM 98 NE2 GLN A 10 5.140 11.390 9.882 1.00 0.00 N ATOM 0 HA GLN A 10 1.973 15.468 7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.636 13.730 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.104 14.903 8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.904 13.339 10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.944 12.142 8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.404 10.695 9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.084 11.094 10.132 1.00 0.00 H new ATOM 107 N LEU A 11 0.454 13.599 6.756 1.00 0.00 N ATOM 108 CA LEU A 11 -0.568 12.615 6.417 1.00 0.00 C ATOM 109 C LEU A 11 -0.161 11.222 6.888 1.00 0.00 C ATOM 110 O LEU A 11 0.883 10.701 6.494 1.00 0.00 O ATOM 111 CB LEU A 11 -0.812 12.603 4.906 1.00 0.00 C ATOM 112 CG LEU A 11 -2.240 12.289 4.459 1.00 0.00 C ATOM 113 CD1 LEU A 11 -2.459 12.732 3.021 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.532 10.803 4.612 1.00 0.00 C ATOM 0 H LEU A 11 0.768 14.168 5.970 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.490 12.896 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.533 13.578 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.142 11.870 4.456 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.930 12.842 5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.481 12.500 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.292 13.806 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.761 12.207 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.553 10.598 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.836 10.230 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.417 10.515 5.657 1.00 0.00 H new ATOM 126 N THR A 12 -0.993 10.623 7.734 1.00 0.00 N ATOM 127 CA THR A 12 -0.721 9.291 8.259 1.00 0.00 C ATOM 128 C THR A 12 -1.992 8.451 8.314 1.00 0.00 C ATOM 129 O THR A 12 -3.086 8.945 8.036 1.00 0.00 O ATOM 130 CB THR A 12 -0.103 9.358 9.668 1.00 0.00 C ATOM 131 OG1 THR A 12 0.552 8.122 9.975 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.169 9.646 10.714 1.00 0.00 C ATOM 0 H THR A 12 -1.861 11.040 8.070 1.00 0.00 H new ATOM 0 HA THR A 12 -0.009 8.823 7.579 1.00 0.00 H new ATOM 0 HB THR A 12 0.626 10.169 9.683 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.944 8.173 10.872 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.708 9.689 11.701 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.645 10.601 10.494 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.918 8.855 10.697 1.00 0.00 H new ATOM 140 N ILE A 13 -1.842 7.181 8.674 1.00 0.00 N ATOM 141 CA ILE A 13 -2.979 6.274 8.766 1.00 0.00 C ATOM 142 C ILE A 13 -2.862 5.368 9.987 1.00 0.00 C ATOM 143 O ILE A 13 -1.847 4.701 10.182 1.00 0.00 O ATOM 144 CB ILE A 13 -3.107 5.401 7.504 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.509 6.259 6.303 1.00 0.00 C ATOM 146 CG2 ILE A 13 -4.121 4.289 7.730 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.260 5.587 4.970 1.00 0.00 C ATOM 0 H ILE A 13 -0.944 6.757 8.907 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.870 6.894 8.860 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.139 4.946 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.567 6.509 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.956 7.198 6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.200 3.680 6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.797 3.664 8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.093 4.725 7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.568 6.253 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.198 5.362 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.834 4.662 4.916 1.00 0.00 H new ATOM 159 N GLU A 14 -3.909 5.350 10.807 1.00 0.00 N ATOM 160 CA GLU A 14 -3.923 4.525 12.009 1.00 0.00 C ATOM 161 C GLU A 14 -4.980 3.429 11.904 1.00 0.00 C ATOM 162 O GLU A 14 -6.176 3.710 11.839 1.00 0.00 O ATOM 163 CB GLU A 14 -4.187 5.388 13.244 1.00 0.00 C ATOM 164 CG GLU A 14 -4.155 4.610 14.549 1.00 0.00 C ATOM 165 CD GLU A 14 -3.927 5.502 15.754 1.00 0.00 C ATOM 166 OE1 GLU A 14 -4.826 6.307 16.075 1.00 0.00 O ATOM 167 OE2 GLU A 14 -2.850 5.393 16.376 1.00 0.00 O ATOM 0 H GLU A 14 -4.757 5.897 10.661 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.945 4.054 12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.443 6.183 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.160 5.867 13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.096 4.074 14.671 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.365 3.860 14.502 1.00 0.00 H new ATOM 174 N ALA A 15 -4.528 2.179 11.889 1.00 0.00 N ATOM 175 CA ALA A 15 -5.434 1.041 11.794 1.00 0.00 C ATOM 176 C ALA A 15 -6.318 0.938 13.032 1.00 0.00 C ATOM 177 O ALA A 15 -5.850 1.110 14.158 1.00 0.00 O ATOM 178 CB ALA A 15 -4.646 -0.246 11.598 1.00 0.00 C ATOM 0 H ALA A 15 -3.540 1.929 11.941 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.080 1.194 10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.335 -1.088 11.529 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.062 -0.179 10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.976 -0.395 12.445 1.00 0.00 H new ATOM 184 N VAL A 16 -7.599 0.657 12.817 1.00 0.00 N ATOM 185 CA VAL A 16 -8.549 0.531 13.916 1.00 0.00 C ATOM 186 C VAL A 16 -9.547 -0.592 13.654 1.00 0.00 C ATOM 187 O VAL A 16 -10.421 -0.491 12.794 1.00 0.00 O ATOM 188 CB VAL A 16 -9.320 1.845 14.145 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.334 1.680 15.267 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.357 2.982 14.448 1.00 0.00 C ATOM 0 H VAL A 16 -8.003 0.512 11.892 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.970 0.298 14.810 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.861 2.092 13.232 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.869 2.618 15.415 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.043 0.895 15.004 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.817 1.408 16.187 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.919 3.902 14.607 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.786 2.746 15.346 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.674 3.114 13.609 1.00 0.00 H new ATOM 200 N PRO A 17 -9.414 -1.690 14.414 1.00 0.00 N ATOM 201 CA PRO A 17 -8.376 -1.821 15.441 1.00 0.00 C ATOM 202 C PRO A 17 -6.980 -1.949 14.841 1.00 0.00 C ATOM 203 O PRO A 17 -6.825 -2.072 13.626 1.00 0.00 O ATOM 204 CB PRO A 17 -8.763 -3.109 16.173 1.00 0.00 C ATOM 205 CG PRO A 17 -9.539 -3.895 15.173 1.00 0.00 C ATOM 206 CD PRO A 17 -10.267 -2.887 14.328 1.00 0.00 C ATOM 0 HA PRO A 17 -8.329 -0.944 16.087 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.881 -3.655 16.507 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.361 -2.896 17.059 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.878 -4.511 14.563 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.239 -4.570 15.665 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.376 -3.229 13.299 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.270 -2.694 14.708 1.00 0.00 H new ATOM 214 N SER A 18 -5.967 -1.919 15.701 1.00 0.00 N ATOM 215 CA SER A 18 -4.583 -2.028 15.255 1.00 0.00 C ATOM 216 C SER A 18 -4.239 -3.471 14.898 1.00 0.00 C ATOM 217 O SER A 18 -3.338 -3.727 14.101 1.00 0.00 O ATOM 218 CB SER A 18 -3.633 -1.519 16.341 1.00 0.00 C ATOM 219 OG SER A 18 -2.383 -1.142 15.790 1.00 0.00 O ATOM 0 H SER A 18 -6.079 -1.820 16.710 1.00 0.00 H new ATOM 0 HA SER A 18 -4.466 -1.413 14.362 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.082 -0.666 16.850 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.484 -2.296 17.091 1.00 0.00 H new ATOM 0 HG SER A 18 -1.795 -0.819 16.504 1.00 0.00 H new ATOM 225 N ASN A 19 -4.965 -4.410 15.495 1.00 0.00 N ATOM 226 CA ASN A 19 -4.738 -5.828 15.241 1.00 0.00 C ATOM 227 C ASN A 19 -6.036 -6.619 15.370 1.00 0.00 C ATOM 228 O ASN A 19 -6.522 -6.859 16.475 1.00 0.00 O ATOM 229 CB ASN A 19 -3.693 -6.380 16.213 1.00 0.00 C ATOM 230 CG ASN A 19 -2.289 -5.919 15.876 1.00 0.00 C ATOM 231 OD1 ASN A 19 -2.019 -4.637 16.095 1.00 0.00 O flip ATOM 232 ND2 ASN A 19 -1.456 -6.705 15.424 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.715 -4.215 16.158 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.369 -5.934 14.221 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.942 -6.066 17.227 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.728 -7.469 16.199 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.707 -7.682 15.271 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.515 -6.379 15.202 1.00 0.00 H new ATOM 239 N ALA A 20 -6.592 -7.022 14.232 1.00 0.00 N ATOM 240 CA ALA A 20 -7.833 -7.788 14.217 1.00 0.00 C ATOM 241 C ALA A 20 -7.563 -9.264 13.946 1.00 0.00 C ATOM 242 O ALA A 20 -6.436 -9.653 13.642 1.00 0.00 O ATOM 243 CB ALA A 20 -8.788 -7.225 13.176 1.00 0.00 C ATOM 0 H ALA A 20 -6.203 -6.831 13.309 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.295 -7.704 15.201 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.710 -7.806 13.176 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.014 -6.186 13.414 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.325 -7.279 12.191 1.00 0.00 H new ATOM 249 N ALA A 21 -8.604 -10.082 14.060 1.00 0.00 N ATOM 250 CA ALA A 21 -8.479 -11.515 13.826 1.00 0.00 C ATOM 251 C ALA A 21 -9.193 -11.926 12.543 1.00 0.00 C ATOM 252 O ALA A 21 -10.089 -11.228 12.070 1.00 0.00 O ATOM 253 CB ALA A 21 -9.031 -12.293 15.012 1.00 0.00 C ATOM 0 H ALA A 21 -9.544 -9.776 14.313 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.420 -11.749 13.712 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.931 -13.362 14.824 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.474 -12.029 15.911 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.083 -12.046 15.151 1.00 0.00 H new ATOM 259 N GLU A 22 -8.788 -13.063 11.984 1.00 0.00 N ATOM 260 CA GLU A 22 -9.389 -13.564 10.754 1.00 0.00 C ATOM 261 C GLU A 22 -10.909 -13.431 10.796 1.00 0.00 C ATOM 262 O GLU A 22 -11.549 -13.813 11.775 1.00 0.00 O ATOM 263 CB GLU A 22 -9.001 -15.027 10.530 1.00 0.00 C ATOM 264 CG GLU A 22 -7.657 -15.203 9.844 1.00 0.00 C ATOM 265 CD GLU A 22 -7.166 -16.637 9.879 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.449 -17.336 10.874 1.00 0.00 O ATOM 267 OE2 GLU A 22 -6.500 -17.060 8.912 1.00 0.00 O ATOM 0 H GLU A 22 -8.047 -13.653 12.363 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.012 -12.964 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.978 -15.539 11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.772 -15.511 9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.737 -14.876 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.921 -14.559 10.325 1.00 0.00 H new ATOM 274 N GLY A 23 -11.479 -12.884 9.727 1.00 0.00 N ATOM 275 CA GLY A 23 -12.918 -12.708 9.662 1.00 0.00 C ATOM 276 C GLY A 23 -13.359 -11.346 10.160 1.00 0.00 C ATOM 277 O GLY A 23 -14.442 -10.871 9.815 1.00 0.00 O ATOM 0 H GLY A 23 -10.970 -12.560 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.251 -12.840 8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.403 -13.483 10.256 1.00 0.00 H new ATOM 281 N LYS A 24 -12.520 -10.715 10.974 1.00 0.00 N ATOM 282 CA LYS A 24 -12.828 -9.400 11.522 1.00 0.00 C ATOM 283 C LYS A 24 -12.590 -8.309 10.482 1.00 0.00 C ATOM 284 O LYS A 24 -12.114 -8.582 9.381 1.00 0.00 O ATOM 285 CB LYS A 24 -11.976 -9.129 12.764 1.00 0.00 C ATOM 286 CG LYS A 24 -12.219 -10.114 13.894 1.00 0.00 C ATOM 287 CD LYS A 24 -13.545 -9.851 14.588 1.00 0.00 C ATOM 288 CE LYS A 24 -14.072 -11.101 15.276 1.00 0.00 C ATOM 289 NZ LYS A 24 -13.297 -11.427 16.505 1.00 0.00 N ATOM 0 H LYS A 24 -11.620 -11.094 11.269 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.881 -9.388 11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.923 -9.161 12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.181 -8.120 13.122 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.209 -11.130 13.500 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.408 -10.045 14.619 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.421 -9.055 15.322 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.275 -9.501 13.859 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.121 -10.958 15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.027 -11.942 14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.687 -12.285 16.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.301 -11.589 16.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.361 -10.635 17.176 1.00 0.00 H new ATOM 303 N GLU A 25 -12.924 -7.073 10.840 1.00 0.00 N ATOM 304 CA GLU A 25 -12.746 -5.942 9.938 1.00 0.00 C ATOM 305 C GLU A 25 -11.742 -4.944 10.507 1.00 0.00 C ATOM 306 O GLU A 25 -11.577 -4.838 11.723 1.00 0.00 O ATOM 307 CB GLU A 25 -14.085 -5.246 9.685 1.00 0.00 C ATOM 308 CG GLU A 25 -14.734 -4.699 10.945 1.00 0.00 C ATOM 309 CD GLU A 25 -13.955 -3.546 11.549 1.00 0.00 C ATOM 310 OE1 GLU A 25 -13.651 -2.585 10.812 1.00 0.00 O ATOM 311 OE2 GLU A 25 -13.651 -3.606 12.758 1.00 0.00 O ATOM 0 H GLU A 25 -13.319 -6.830 11.748 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.358 -6.323 8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.932 -4.428 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.768 -5.951 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.746 -4.367 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.821 -5.499 11.681 1.00 0.00 H new ATOM 318 N VAL A 26 -11.072 -4.215 9.620 1.00 0.00 N ATOM 319 CA VAL A 26 -10.084 -3.226 10.033 1.00 0.00 C ATOM 320 C VAL A 26 -10.302 -1.899 9.315 1.00 0.00 C ATOM 321 O VAL A 26 -10.268 -1.833 8.085 1.00 0.00 O ATOM 322 CB VAL A 26 -8.650 -3.716 9.759 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.637 -2.651 10.151 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.381 -5.017 10.500 1.00 0.00 C ATOM 0 H VAL A 26 -11.196 -4.291 8.610 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.211 -3.081 11.106 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.548 -3.905 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.630 -3.016 9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.818 -1.746 9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.737 -2.427 11.213 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.363 -5.349 10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.502 -4.857 11.571 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.085 -5.779 10.165 1.00 0.00 H new ATOM 334 N LEU A 27 -10.525 -0.843 10.089 1.00 0.00 N ATOM 335 CA LEU A 27 -10.748 0.485 9.527 1.00 0.00 C ATOM 336 C LEU A 27 -9.473 1.319 9.579 1.00 0.00 C ATOM 337 O LEU A 27 -8.993 1.673 10.657 1.00 0.00 O ATOM 338 CB LEU A 27 -11.870 1.199 10.283 1.00 0.00 C ATOM 339 CG LEU A 27 -11.952 2.713 10.090 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.736 3.049 8.831 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.585 3.373 11.306 1.00 0.00 C ATOM 0 H LEU A 27 -10.556 -0.880 11.108 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.040 0.367 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.821 0.762 9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.751 0.994 11.347 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.939 3.100 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.784 4.131 8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.241 2.609 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.746 2.648 8.914 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.635 4.451 11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.591 2.980 11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.983 3.162 12.190 1.00 0.00 H new ATOM 353 N LEU A 28 -8.929 1.633 8.408 1.00 0.00 N ATOM 354 CA LEU A 28 -7.710 2.429 8.320 1.00 0.00 C ATOM 355 C LEU A 28 -8.032 3.920 8.301 1.00 0.00 C ATOM 356 O LEU A 28 -8.318 4.491 7.247 1.00 0.00 O ATOM 357 CB LEU A 28 -6.920 2.051 7.065 1.00 0.00 C ATOM 358 CG LEU A 28 -6.387 0.618 7.014 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.864 0.293 5.624 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.297 0.417 8.057 1.00 0.00 C ATOM 0 H LEU A 28 -9.313 1.349 7.507 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.104 2.218 9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.558 2.211 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.076 2.735 6.971 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.208 -0.063 7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.489 -0.730 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.671 0.396 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.057 0.980 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.930 -0.608 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.476 1.107 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.704 0.608 9.050 1.00 0.00 H new ATOM 372 N LEU A 29 -7.984 4.545 9.472 1.00 0.00 N ATOM 373 CA LEU A 29 -8.269 5.971 9.590 1.00 0.00 C ATOM 374 C LEU A 29 -7.129 6.804 9.011 1.00 0.00 C ATOM 375 O LEU A 29 -6.012 6.315 8.842 1.00 0.00 O ATOM 376 CB LEU A 29 -8.496 6.346 11.056 1.00 0.00 C ATOM 377 CG LEU A 29 -9.938 6.254 11.556 1.00 0.00 C ATOM 378 CD1 LEU A 29 -9.990 6.417 13.067 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.806 7.303 10.875 1.00 0.00 C ATOM 0 H LEU A 29 -7.751 4.087 10.353 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.175 6.184 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.875 5.699 11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.144 7.366 11.208 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.328 5.268 11.304 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.024 6.349 13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.401 5.630 13.538 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.582 7.389 13.342 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.829 7.223 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.417 8.297 11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.794 7.141 9.797 1.00 0.00 H new ATOM 391 N VAL A 30 -7.419 8.066 8.711 1.00 0.00 N ATOM 392 CA VAL A 30 -6.419 8.968 8.154 1.00 0.00 C ATOM 393 C VAL A 30 -6.375 10.283 8.924 1.00 0.00 C ATOM 394 O VAL A 30 -7.399 10.764 9.411 1.00 0.00 O ATOM 395 CB VAL A 30 -6.696 9.265 6.668 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.459 9.846 6.000 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.157 8.006 5.951 1.00 0.00 C ATOM 0 H VAL A 30 -8.339 8.487 8.845 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.456 8.466 8.243 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.494 10.004 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.674 10.049 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.177 10.773 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.638 9.132 6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.348 8.234 4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.382 7.243 6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.072 7.637 6.415 1.00 0.00 H new ATOM 407 N HIS A 31 -5.183 10.862 9.030 1.00 0.00 N ATOM 408 CA HIS A 31 -5.006 12.123 9.741 1.00 0.00 C ATOM 409 C HIS A 31 -4.191 13.107 8.906 1.00 0.00 C ATOM 410 O HIS A 31 -3.604 12.736 7.891 1.00 0.00 O ATOM 411 CB HIS A 31 -4.317 11.883 11.085 1.00 0.00 C ATOM 412 CG HIS A 31 -4.856 10.702 11.832 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.190 10.557 12.148 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.233 9.606 12.324 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.364 9.424 12.804 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.191 8.828 12.924 1.00 0.00 N ATOM 0 H HIS A 31 -4.326 10.478 8.633 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.992 12.553 9.919 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.250 11.740 10.916 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.425 12.774 11.704 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -6.927 11.221 11.912 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.178 9.385 12.257 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.305 9.049 13.179 1.00 0.00 H new ATOM 425 N ASN A 32 -4.162 14.362 9.342 1.00 0.00 N ATOM 426 CA ASN A 32 -3.420 15.399 8.634 1.00 0.00 C ATOM 427 C ASN A 32 -3.830 15.455 7.166 1.00 0.00 C ATOM 428 O ASN A 32 -3.051 15.873 6.308 1.00 0.00 O ATOM 429 CB ASN A 32 -1.915 15.146 8.746 1.00 0.00 C ATOM 430 CG ASN A 32 -1.390 15.393 10.147 1.00 0.00 C ATOM 431 OD1 ASN A 32 -1.520 16.492 10.686 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.793 14.368 10.744 1.00 0.00 N ATOM 0 H ASN A 32 -4.643 14.685 10.181 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.655 16.358 9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.700 14.117 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.388 15.792 8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.420 14.474 11.687 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.708 13.475 10.259 1.00 0.00 H new ATOM 439 N LEU A 33 -5.056 15.031 6.883 1.00 0.00 N ATOM 440 CA LEU A 33 -5.571 15.033 5.518 1.00 0.00 C ATOM 441 C LEU A 33 -5.397 16.404 4.873 1.00 0.00 C ATOM 442 O LEU A 33 -5.210 17.416 5.548 1.00 0.00 O ATOM 443 CB LEU A 33 -7.048 14.636 5.508 1.00 0.00 C ATOM 444 CG LEU A 33 -7.339 13.138 5.412 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.814 12.863 5.662 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.918 12.599 4.052 1.00 0.00 C ATOM 0 H LEU A 33 -5.713 14.681 7.581 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.002 14.305 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.513 15.019 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.532 15.134 4.668 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.760 12.625 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.002 11.792 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.086 13.212 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.413 13.388 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.132 11.531 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.470 13.118 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.849 12.761 3.911 1.00 0.00 H new ATOM 458 N PRO A 34 -5.462 16.440 3.533 1.00 0.00 N ATOM 459 CA PRO A 34 -5.318 17.682 2.767 1.00 0.00 C ATOM 460 C PRO A 34 -6.508 18.617 2.948 1.00 0.00 C ATOM 461 O PRO A 34 -7.324 18.429 3.850 1.00 0.00 O ATOM 462 CB PRO A 34 -5.235 17.196 1.318 1.00 0.00 C ATOM 463 CG PRO A 34 -5.943 15.886 1.316 1.00 0.00 C ATOM 464 CD PRO A 34 -5.683 15.273 2.664 1.00 0.00 C ATOM 0 HA PRO A 34 -4.452 18.261 3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.708 17.903 0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.199 17.087 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.012 16.020 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.573 15.243 0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.528 14.674 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.814 14.616 2.645 1.00 0.00 H new ATOM 472 N GLN A 35 -6.601 19.623 2.085 1.00 0.00 N ATOM 473 CA GLN A 35 -7.693 20.587 2.151 1.00 0.00 C ATOM 474 C GLN A 35 -8.739 20.300 1.079 1.00 0.00 C ATOM 475 O GLN A 35 -9.934 20.225 1.367 1.00 0.00 O ATOM 476 CB GLN A 35 -7.156 22.010 1.988 1.00 0.00 C ATOM 477 CG GLN A 35 -6.418 22.235 0.678 1.00 0.00 C ATOM 478 CD GLN A 35 -5.829 23.628 0.571 1.00 0.00 C ATOM 479 OE1 GLN A 35 -4.869 23.963 1.265 1.00 0.00 O ATOM 480 NE2 GLN A 35 -6.403 24.449 -0.301 1.00 0.00 N ATOM 0 H GLN A 35 -5.934 19.792 1.332 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.166 20.494 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.987 22.713 2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.484 22.233 2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.619 21.499 0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.103 22.070 -0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.197 24.129 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.050 25.399 -0.416 1.00 0.00 H new ATOM 489 N ASP A 36 -8.282 20.140 -0.158 1.00 0.00 N ATOM 490 CA ASP A 36 -9.178 19.859 -1.274 1.00 0.00 C ATOM 491 C ASP A 36 -8.783 18.564 -1.976 1.00 0.00 C ATOM 492 O ASP A 36 -8.158 18.569 -3.037 1.00 0.00 O ATOM 493 CB ASP A 36 -9.163 21.019 -2.271 1.00 0.00 C ATOM 494 CG ASP A 36 -10.169 22.098 -1.920 1.00 0.00 C ATOM 495 OD1 ASP A 36 -11.249 21.754 -1.395 1.00 0.00 O ATOM 496 OD2 ASP A 36 -9.876 23.286 -2.170 1.00 0.00 O ATOM 0 H ASP A 36 -7.296 20.200 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.187 19.743 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.164 21.454 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.377 20.638 -3.270 1.00 0.00 H new ATOM 501 N PRO A 37 -9.155 17.426 -1.371 1.00 0.00 N ATOM 502 CA PRO A 37 -8.850 16.101 -1.920 1.00 0.00 C ATOM 503 C PRO A 37 -9.644 15.802 -3.187 1.00 0.00 C ATOM 504 O PRO A 37 -10.855 15.586 -3.136 1.00 0.00 O ATOM 505 CB PRO A 37 -9.260 15.148 -0.795 1.00 0.00 C ATOM 506 CG PRO A 37 -10.292 15.895 -0.023 1.00 0.00 C ATOM 507 CD PRO A 37 -9.903 17.345 -0.105 1.00 0.00 C ATOM 0 HA PRO A 37 -7.804 16.012 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.661 14.216 -1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.408 14.887 -0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.285 15.733 -0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.324 15.558 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.777 17.996 -0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.289 17.645 0.744 1.00 0.00 H new ATOM 515 N ARG A 38 -8.954 15.791 -4.323 1.00 0.00 N ATOM 516 CA ARG A 38 -9.596 15.519 -5.604 1.00 0.00 C ATOM 517 C ARG A 38 -10.134 14.092 -5.650 1.00 0.00 C ATOM 518 O ARG A 38 -11.089 13.800 -6.368 1.00 0.00 O ATOM 519 CB ARG A 38 -8.608 15.740 -6.751 1.00 0.00 C ATOM 520 CG ARG A 38 -9.277 15.974 -8.095 1.00 0.00 C ATOM 521 CD ARG A 38 -8.295 16.520 -9.119 1.00 0.00 C ATOM 522 NE ARG A 38 -8.796 16.386 -10.484 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.410 17.165 -11.489 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.523 18.129 -11.282 1.00 0.00 N ATOM 525 NH2 ARG A 38 -8.912 16.981 -12.703 1.00 0.00 N ATOM 0 H ARG A 38 -7.951 15.967 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.433 16.208 -5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.976 16.597 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.953 14.872 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.701 15.038 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.104 16.673 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.097 17.571 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.346 15.992 -9.028 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.480 15.654 -10.677 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.135 18.274 -10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.228 18.726 -12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.595 16.241 -12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.615 17.579 -13.474 1.00 0.00 H new ATOM 539 N GLY A 39 -9.512 13.205 -4.878 1.00 0.00 N ATOM 540 CA GLY A 39 -9.942 11.819 -4.847 1.00 0.00 C ATOM 541 C GLY A 39 -8.956 10.923 -4.123 1.00 0.00 C ATOM 542 O GLY A 39 -7.760 11.211 -4.081 1.00 0.00 O ATOM 0 H GLY A 39 -8.719 13.422 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.914 11.754 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.074 11.460 -5.868 1.00 0.00 H new ATOM 546 N TYR A 40 -9.459 9.834 -3.551 1.00 0.00 N ATOM 547 CA TYR A 40 -8.614 8.895 -2.822 1.00 0.00 C ATOM 548 C TYR A 40 -8.263 7.691 -3.691 1.00 0.00 C ATOM 549 O TYR A 40 -9.007 7.330 -4.601 1.00 0.00 O ATOM 550 CB TYR A 40 -9.317 8.429 -1.546 1.00 0.00 C ATOM 551 CG TYR A 40 -9.934 9.556 -0.749 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.158 10.612 -0.286 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.293 9.566 -0.459 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.717 11.643 0.444 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.861 10.594 0.269 1.00 0.00 C ATOM 556 CZ TYR A 40 -11.069 11.630 0.718 1.00 0.00 C ATOM 557 OH TYR A 40 -11.630 12.656 1.444 1.00 0.00 O ATOM 0 H TYR A 40 -10.447 9.580 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.691 9.409 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.096 7.714 -1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.599 7.901 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.100 10.627 -0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.916 8.756 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.099 12.455 0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.919 10.586 0.485 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.574 12.457 1.617 1.00 0.00 H new ATOM 567 N ASN A 41 -7.121 7.075 -3.402 1.00 0.00 N ATOM 568 CA ASN A 41 -6.669 5.911 -4.156 1.00 0.00 C ATOM 569 C ASN A 41 -5.864 4.967 -3.268 1.00 0.00 C ATOM 570 O ASN A 41 -4.766 5.303 -2.823 1.00 0.00 O ATOM 571 CB ASN A 41 -5.823 6.350 -5.352 1.00 0.00 C ATOM 572 CG ASN A 41 -6.661 6.605 -6.590 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.549 5.821 -6.925 1.00 0.00 O ATOM 574 ND2 ASN A 41 -6.381 7.706 -7.278 1.00 0.00 N ATOM 0 H ASN A 41 -6.492 7.362 -2.652 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.549 5.379 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.276 7.257 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.081 5.582 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.911 7.930 -8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.636 8.328 -6.964 1.00 0.00 H new ATOM 581 N TRP A 42 -6.416 3.786 -3.015 1.00 0.00 N ATOM 582 CA TRP A 42 -5.749 2.793 -2.181 1.00 0.00 C ATOM 583 C TRP A 42 -5.034 1.754 -3.038 1.00 0.00 C ATOM 584 O TRP A 42 -5.445 1.476 -4.165 1.00 0.00 O ATOM 585 CB TRP A 42 -6.761 2.106 -1.262 1.00 0.00 C ATOM 586 CG TRP A 42 -7.164 2.946 -0.089 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.210 3.821 -0.028 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.525 2.992 1.192 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.261 4.408 1.213 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.238 3.916 1.980 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.421 2.342 1.750 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.882 4.204 3.295 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.068 2.629 3.055 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.797 3.553 3.816 1.00 0.00 C ATOM 0 H TRP A 42 -7.324 3.493 -3.375 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.006 3.307 -1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.650 1.850 -1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.335 1.170 -0.900 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.897 4.022 -0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.949 5.098 1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.854 1.628 1.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.442 4.916 3.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.216 2.133 3.496 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.497 3.755 4.833 1.00 0.00 H new ATOM 605 N TYR A 43 -3.964 1.183 -2.498 1.00 0.00 N ATOM 606 CA TYR A 43 -3.191 0.176 -3.214 1.00 0.00 C ATOM 607 C TYR A 43 -2.773 -0.957 -2.281 1.00 0.00 C ATOM 608 O TYR A 43 -2.834 -0.825 -1.059 1.00 0.00 O ATOM 609 CB TYR A 43 -1.953 0.810 -3.850 1.00 0.00 C ATOM 610 CG TYR A 43 -2.274 1.919 -4.827 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.542 3.207 -4.382 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.311 1.677 -6.195 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.837 4.223 -5.271 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.603 2.687 -7.091 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.866 3.958 -6.624 1.00 0.00 C ATOM 616 OH TYR A 43 -3.159 4.967 -7.513 1.00 0.00 O ATOM 0 H TYR A 43 -3.612 1.401 -1.566 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.823 -0.239 -3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.312 1.206 -3.062 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.383 0.037 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.519 3.418 -3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.108 0.682 -6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.044 5.219 -4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.625 2.483 -8.151 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.137 4.614 -8.427 1.00 0.00 H new ATOM 626 N LYS A 44 -2.348 -2.071 -2.867 1.00 0.00 N ATOM 627 CA LYS A 44 -1.918 -3.228 -2.091 1.00 0.00 C ATOM 628 C LYS A 44 -0.396 -3.334 -2.071 1.00 0.00 C ATOM 629 O LYS A 44 0.223 -3.698 -3.070 1.00 0.00 O ATOM 630 CB LYS A 44 -2.522 -4.509 -2.670 1.00 0.00 C ATOM 631 CG LYS A 44 -2.530 -5.673 -1.693 1.00 0.00 C ATOM 632 CD LYS A 44 -3.697 -6.611 -1.954 1.00 0.00 C ATOM 633 CE LYS A 44 -3.375 -8.033 -1.521 1.00 0.00 C ATOM 634 NZ LYS A 44 -2.421 -8.695 -2.453 1.00 0.00 N ATOM 0 H LYS A 44 -2.292 -2.197 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.269 -3.099 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.544 -4.307 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.961 -4.796 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.593 -6.224 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.588 -5.293 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.577 -6.257 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.944 -6.600 -3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.951 -8.019 -0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.296 -8.614 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.434 -9.722 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.700 -8.496 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.462 -8.330 -2.285 1.00 0.00 H new ATOM 648 N GLY A 45 0.200 -3.016 -0.926 1.00 0.00 N ATOM 649 CA GLY A 45 1.644 -3.084 -0.798 1.00 0.00 C ATOM 650 C GLY A 45 2.263 -1.736 -0.490 1.00 0.00 C ATOM 651 O GLY A 45 1.653 -0.905 0.183 1.00 0.00 O ATOM 0 H GLY A 45 -0.291 -2.713 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.903 -3.788 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.070 -3.473 -1.723 1.00 0.00 H new ATOM 655 N GLU A 46 3.479 -1.518 -0.981 1.00 0.00 N ATOM 656 CA GLU A 46 4.181 -0.260 -0.751 1.00 0.00 C ATOM 657 C GLU A 46 4.458 0.457 -2.069 1.00 0.00 C ATOM 658 O GLU A 46 5.491 1.107 -2.231 1.00 0.00 O ATOM 659 CB GLU A 46 5.495 -0.513 -0.009 1.00 0.00 C ATOM 660 CG GLU A 46 5.310 -0.842 1.462 1.00 0.00 C ATOM 661 CD GLU A 46 6.493 -0.414 2.309 1.00 0.00 C ATOM 662 OE1 GLU A 46 7.637 -0.768 1.954 1.00 0.00 O ATOM 663 OE2 GLU A 46 6.275 0.276 3.327 1.00 0.00 O ATOM 0 H GLU A 46 3.998 -2.195 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 46 3.543 0.377 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.023 -1.335 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.129 0.369 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.409 -0.352 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.157 -1.915 1.574 1.00 0.00 H new ATOM 670 N THR A 47 3.526 0.335 -3.009 1.00 0.00 N ATOM 671 CA THR A 47 3.669 0.970 -4.314 1.00 0.00 C ATOM 672 C THR A 47 2.338 1.532 -4.801 1.00 0.00 C ATOM 673 O THR A 47 1.291 0.904 -4.639 1.00 0.00 O ATOM 674 CB THR A 47 4.210 -0.019 -5.363 1.00 0.00 C ATOM 675 OG1 THR A 47 3.492 -1.255 -5.288 1.00 0.00 O ATOM 676 CG2 THR A 47 5.695 -0.276 -5.150 1.00 0.00 C ATOM 0 H THR A 47 2.664 -0.198 -2.891 1.00 0.00 H new ATOM 0 HA THR A 47 4.382 1.786 -4.192 1.00 0.00 H new ATOM 0 HB THR A 47 4.071 0.422 -6.350 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.841 -1.877 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.054 -0.978 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.243 0.662 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.853 -0.697 -4.157 1.00 0.00 H new ATOM 684 N VAL A 48 2.385 2.718 -5.398 1.00 0.00 N ATOM 685 CA VAL A 48 1.182 3.364 -5.911 1.00 0.00 C ATOM 686 C VAL A 48 1.026 3.125 -7.408 1.00 0.00 C ATOM 687 O VAL A 48 0.925 4.070 -8.191 1.00 0.00 O ATOM 688 CB VAL A 48 1.202 4.880 -5.643 1.00 0.00 C ATOM 689 CG1 VAL A 48 -0.051 5.538 -6.201 1.00 0.00 C ATOM 690 CG2 VAL A 48 1.340 5.156 -4.154 1.00 0.00 C ATOM 0 H VAL A 48 3.243 3.252 -5.539 1.00 0.00 H new ATOM 0 HA VAL A 48 0.336 2.921 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 48 2.066 5.309 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.019 6.609 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.102 5.370 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.931 5.107 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.352 6.232 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.497 4.714 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.269 4.720 -3.788 1.00 0.00 H new ATOM 700 N ASP A 49 1.007 1.856 -7.801 1.00 0.00 N ATOM 701 CA ASP A 49 0.861 1.492 -9.205 1.00 0.00 C ATOM 702 C ASP A 49 -0.536 0.946 -9.483 1.00 0.00 C ATOM 703 O ASP A 49 -1.097 0.208 -8.674 1.00 0.00 O ATOM 704 CB ASP A 49 1.914 0.454 -9.597 1.00 0.00 C ATOM 705 CG ASP A 49 3.185 1.091 -10.125 1.00 0.00 C ATOM 706 OD1 ASP A 49 3.850 1.814 -9.354 1.00 0.00 O ATOM 707 OD2 ASP A 49 3.515 0.866 -11.308 1.00 0.00 O ATOM 0 H ASP A 49 1.091 1.062 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 49 1.006 2.391 -9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.153 -0.163 -8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.501 -0.210 -10.356 1.00 0.00 H new ATOM 712 N ALA A 50 -1.093 1.316 -10.632 1.00 0.00 N ATOM 713 CA ALA A 50 -2.423 0.863 -11.017 1.00 0.00 C ATOM 714 C ALA A 50 -2.542 -0.653 -10.902 1.00 0.00 C ATOM 715 O ALA A 50 -3.575 -1.174 -10.484 1.00 0.00 O ATOM 716 CB ALA A 50 -2.745 1.314 -12.434 1.00 0.00 C ATOM 0 H ALA A 50 -0.643 1.929 -11.312 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.144 1.310 -10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.742 0.968 -12.708 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.711 2.402 -12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.013 0.895 -13.124 1.00 0.00 H new ATOM 722 N ASN A 51 -1.478 -1.355 -11.277 1.00 0.00 N ATOM 723 CA ASN A 51 -1.464 -2.812 -11.217 1.00 0.00 C ATOM 724 C ASN A 51 -1.839 -3.303 -9.822 1.00 0.00 C ATOM 725 O ASN A 51 -2.574 -4.279 -9.673 1.00 0.00 O ATOM 726 CB ASN A 51 -0.083 -3.346 -11.603 1.00 0.00 C ATOM 727 CG ASN A 51 0.415 -2.767 -12.914 1.00 0.00 C ATOM 728 OD1 ASN A 51 -0.322 -2.707 -13.898 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.671 -2.338 -12.932 1.00 0.00 N ATOM 0 H ASN A 51 -0.614 -0.939 -11.626 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.203 -3.187 -11.926 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.629 -3.111 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.125 -4.432 -11.681 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.061 -1.939 -13.786 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.246 -2.407 -12.092 1.00 0.00 H new ATOM 736 N ARG A 52 -1.329 -2.619 -8.803 1.00 0.00 N ATOM 737 CA ARG A 52 -1.609 -2.985 -7.420 1.00 0.00 C ATOM 738 C ARG A 52 -2.643 -2.044 -6.808 1.00 0.00 C ATOM 739 O ARG A 52 -2.690 -1.865 -5.591 1.00 0.00 O ATOM 740 CB ARG A 52 -0.324 -2.957 -6.592 1.00 0.00 C ATOM 741 CG ARG A 52 0.789 -3.819 -7.164 1.00 0.00 C ATOM 742 CD ARG A 52 0.729 -5.238 -6.621 1.00 0.00 C ATOM 743 NE ARG A 52 1.940 -5.994 -6.931 1.00 0.00 N ATOM 744 CZ ARG A 52 2.252 -7.150 -6.356 1.00 0.00 C ATOM 745 NH1 ARG A 52 1.446 -7.681 -5.446 1.00 0.00 N ATOM 746 NH2 ARG A 52 3.371 -7.779 -6.690 1.00 0.00 N ATOM 0 H ARG A 52 -0.720 -1.808 -8.909 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.014 -3.997 -7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.027 -1.928 -6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.547 -3.292 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.712 -3.841 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.755 -3.376 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.587 -5.207 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.136 -5.751 -7.041 1.00 0.00 H new ATOM 0 HE ARG A 52 2.581 -5.613 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.584 -7.201 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.688 -8.569 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.994 -7.375 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.609 -8.667 -6.247 1.00 0.00 H new ATOM 760 N ARG A 53 -3.469 -1.446 -7.660 1.00 0.00 N ATOM 761 CA ARG A 53 -4.501 -0.522 -7.203 1.00 0.00 C ATOM 762 C ARG A 53 -5.735 -1.280 -6.722 1.00 0.00 C ATOM 763 O ARG A 53 -6.386 -1.981 -7.498 1.00 0.00 O ATOM 764 CB ARG A 53 -4.886 0.442 -8.326 1.00 0.00 C ATOM 765 CG ARG A 53 -6.037 1.367 -7.966 1.00 0.00 C ATOM 766 CD ARG A 53 -6.255 2.426 -9.035 1.00 0.00 C ATOM 767 NE ARG A 53 -7.634 2.908 -9.055 1.00 0.00 N ATOM 768 CZ ARG A 53 -8.092 3.787 -9.940 1.00 0.00 C ATOM 769 NH1 ARG A 53 -7.287 4.276 -10.872 1.00 0.00 N ATOM 770 NH2 ARG A 53 -9.360 4.177 -9.893 1.00 0.00 N ATOM 0 H ARG A 53 -3.444 -1.584 -8.670 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.098 0.049 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.017 1.044 -8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.157 -0.134 -9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.949 0.783 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.832 1.850 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.581 3.264 -8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.001 2.013 -10.011 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.280 2.550 -8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.312 3.978 -10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.642 4.951 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.983 3.802 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.712 4.852 -10.572 1.00 0.00 H new ATOM 784 N ILE A 54 -6.050 -1.135 -5.440 1.00 0.00 N ATOM 785 CA ILE A 54 -7.206 -1.805 -4.857 1.00 0.00 C ATOM 786 C ILE A 54 -8.508 -1.166 -5.329 1.00 0.00 C ATOM 787 O ILE A 54 -9.300 -1.794 -6.032 1.00 0.00 O ATOM 788 CB ILE A 54 -7.159 -1.772 -3.318 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.930 -2.526 -2.807 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.432 -2.369 -2.737 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.670 -2.327 -1.330 1.00 0.00 C ATOM 0 H ILE A 54 -5.521 -0.560 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.171 -2.842 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.086 -0.734 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.058 -3.590 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.054 -2.201 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.384 -2.339 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.293 -1.794 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.533 -3.403 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.784 -2.890 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.510 -1.268 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.529 -2.679 -0.759 1.00 0.00 H new ATOM 803 N ILE A 55 -8.720 0.086 -4.940 1.00 0.00 N ATOM 804 CA ILE A 55 -9.924 0.812 -5.325 1.00 0.00 C ATOM 805 C ILE A 55 -9.688 2.318 -5.307 1.00 0.00 C ATOM 806 O ILE A 55 -9.013 2.840 -4.422 1.00 0.00 O ATOM 807 CB ILE A 55 -11.105 0.477 -4.395 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.411 1.023 -4.976 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.861 1.043 -3.004 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.638 0.261 -4.527 1.00 0.00 C ATOM 0 H ILE A 55 -8.074 0.619 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.171 0.498 -6.339 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.189 -0.607 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.518 2.069 -4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.354 0.996 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.704 0.798 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.950 0.611 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.754 2.126 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.526 0.704 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.554 -0.780 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.719 0.310 -3.441 1.00 0.00 H new ATOM 822 N GLY A 56 -10.252 3.012 -6.291 1.00 0.00 N ATOM 823 CA GLY A 56 -10.093 4.452 -6.369 1.00 0.00 C ATOM 824 C GLY A 56 -11.421 5.182 -6.385 1.00 0.00 C ATOM 825 O GLY A 56 -12.354 4.772 -7.075 1.00 0.00 O ATOM 0 H GLY A 56 -10.816 2.602 -7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.503 4.796 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.532 4.704 -7.269 1.00 0.00 H new ATOM 829 N TYR A 57 -11.507 6.266 -5.622 1.00 0.00 N ATOM 830 CA TYR A 57 -12.733 7.053 -5.548 1.00 0.00 C ATOM 831 C TYR A 57 -12.456 8.523 -5.848 1.00 0.00 C ATOM 832 O TYR A 57 -11.424 9.066 -5.452 1.00 0.00 O ATOM 833 CB TYR A 57 -13.369 6.915 -4.164 1.00 0.00 C ATOM 834 CG TYR A 57 -14.383 7.993 -3.853 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.596 8.048 -4.527 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.126 8.957 -2.886 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.525 9.032 -4.247 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.049 9.943 -2.598 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.247 9.977 -3.281 1.00 0.00 C ATOM 840 OH TYR A 57 -17.169 10.959 -2.998 1.00 0.00 O ATOM 0 H TYR A 57 -10.743 6.620 -5.046 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.425 6.672 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.853 5.941 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.584 6.938 -3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.817 7.309 -5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.188 8.935 -2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.463 9.061 -4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.834 10.684 -1.842 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.819 11.543 -2.293 1.00 0.00 H new ATOM 850 N VAL A 58 -13.386 9.162 -6.550 1.00 0.00 N ATOM 851 CA VAL A 58 -13.244 10.570 -6.902 1.00 0.00 C ATOM 852 C VAL A 58 -14.328 11.414 -6.241 1.00 0.00 C ATOM 853 O VAL A 58 -15.516 11.247 -6.521 1.00 0.00 O ATOM 854 CB VAL A 58 -13.308 10.776 -8.428 1.00 0.00 C ATOM 855 CG1 VAL A 58 -13.072 12.236 -8.780 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.299 9.879 -9.128 1.00 0.00 C ATOM 0 H VAL A 58 -14.245 8.728 -6.886 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.267 10.890 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.305 10.502 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.121 12.362 -9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.837 12.852 -8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -12.089 12.542 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.357 10.037 -10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.295 10.120 -8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.521 8.836 -8.902 1.00 0.00 H new ATOM 866 N ILE A 59 -13.912 12.320 -5.363 1.00 0.00 N ATOM 867 CA ILE A 59 -14.847 13.191 -4.663 1.00 0.00 C ATOM 868 C ILE A 59 -15.436 14.236 -5.605 1.00 0.00 C ATOM 869 O ILE A 59 -16.586 14.647 -5.452 1.00 0.00 O ATOM 870 CB ILE A 59 -14.171 13.907 -3.479 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.777 12.895 -2.400 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.096 14.969 -2.903 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.630 13.357 -1.529 1.00 0.00 C ATOM 0 H ILE A 59 -12.933 12.470 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.647 12.555 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.267 14.397 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.643 12.693 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.504 11.954 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.604 15.466 -2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.332 15.703 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.016 14.500 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.405 12.591 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.750 13.532 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -12.907 14.282 -1.023 1.00 0.00 H new ATOM 885 N SER A 60 -14.640 14.660 -6.581 1.00 0.00 N ATOM 886 CA SER A 60 -15.081 15.658 -7.548 1.00 0.00 C ATOM 887 C SER A 60 -16.185 15.100 -8.440 1.00 0.00 C ATOM 888 O SER A 60 -17.148 15.795 -8.763 1.00 0.00 O ATOM 889 CB SER A 60 -13.903 16.124 -8.406 1.00 0.00 C ATOM 890 OG SER A 60 -14.256 17.251 -9.189 1.00 0.00 O ATOM 0 H SER A 60 -13.686 14.328 -6.723 1.00 0.00 H new ATOM 0 HA SER A 60 -15.479 16.510 -6.997 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.058 16.374 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.580 15.312 -9.057 1.00 0.00 H new ATOM 0 HG SER A 60 -13.486 17.530 -9.727 1.00 0.00 H new ATOM 896 N ASN A 61 -16.038 13.839 -8.834 1.00 0.00 N ATOM 897 CA ASN A 61 -17.022 13.186 -9.690 1.00 0.00 C ATOM 898 C ASN A 61 -17.746 12.075 -8.936 1.00 0.00 C ATOM 899 O ASN A 61 -18.444 11.257 -9.536 1.00 0.00 O ATOM 900 CB ASN A 61 -16.345 12.614 -10.937 1.00 0.00 C ATOM 901 CG ASN A 61 -17.346 12.102 -11.955 1.00 0.00 C ATOM 902 OD1 ASN A 61 -17.049 10.953 -12.550 1.00 0.00 O flip ATOM 903 ND2 ASN A 61 -18.374 12.733 -12.202 1.00 0.00 N flip ATOM 0 H ASN A 61 -15.247 13.249 -8.574 1.00 0.00 H new ATOM 0 HA ASN A 61 -17.755 13.933 -9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.725 13.384 -11.396 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.680 11.801 -10.645 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.561 13.612 -11.720 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.039 12.376 -12.889 1.00 0.00 H new ATOM 910 N GLN A 62 -17.575 12.053 -7.618 1.00 0.00 N ATOM 911 CA GLN A 62 -18.213 11.042 -6.782 1.00 0.00 C ATOM 912 C GLN A 62 -18.291 9.704 -7.510 1.00 0.00 C ATOM 913 O GLN A 62 -19.299 9.002 -7.429 1.00 0.00 O ATOM 914 CB GLN A 62 -19.615 11.497 -6.374 1.00 0.00 C ATOM 915 CG GLN A 62 -19.616 12.602 -5.329 1.00 0.00 C ATOM 916 CD GLN A 62 -21.013 12.962 -4.862 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.530 12.379 -3.909 1.00 0.00 O ATOM 918 NE2 GLN A 62 -21.631 13.927 -5.533 1.00 0.00 N ATOM 0 H GLN A 62 -17.001 12.723 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.606 10.912 -5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.147 11.845 -7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -20.167 10.641 -5.986 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -19.020 12.287 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.135 13.489 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -21.164 14.383 -6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.573 14.212 -5.265 1.00 0.00 H new ATOM 927 N GLN A 63 -17.222 9.359 -8.221 1.00 0.00 N ATOM 928 CA GLN A 63 -17.172 8.106 -8.964 1.00 0.00 C ATOM 929 C GLN A 63 -16.236 7.110 -8.289 1.00 0.00 C ATOM 930 O GLN A 63 -15.365 7.493 -7.507 1.00 0.00 O ATOM 931 CB GLN A 63 -16.715 8.359 -10.402 1.00 0.00 C ATOM 932 CG GLN A 63 -16.698 7.108 -11.265 1.00 0.00 C ATOM 933 CD GLN A 63 -16.160 7.367 -12.658 1.00 0.00 C ATOM 934 OE1 GLN A 63 -15.797 6.300 -13.361 1.00 0.00 O flip ATOM 935 NE2 GLN A 63 -16.072 8.513 -13.099 1.00 0.00 N flip ATOM 0 H GLN A 63 -16.380 9.929 -8.298 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.176 7.681 -8.978 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.374 9.097 -10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.715 8.792 -10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.089 6.345 -10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.709 6.708 -11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.362 9.304 -12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.709 8.671 -14.039 1.00 0.00 H new ATOM 944 N ILE A 64 -16.421 5.830 -8.595 1.00 0.00 N ATOM 945 CA ILE A 64 -15.592 4.779 -8.017 1.00 0.00 C ATOM 946 C ILE A 64 -15.110 3.807 -9.089 1.00 0.00 C ATOM 947 O ILE A 64 -15.891 3.347 -9.923 1.00 0.00 O ATOM 948 CB ILE A 64 -16.354 3.994 -6.933 1.00 0.00 C ATOM 949 CG1 ILE A 64 -16.791 4.931 -5.806 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.487 2.868 -6.388 1.00 0.00 C ATOM 951 CD1 ILE A 64 -17.733 4.285 -4.814 1.00 0.00 C ATOM 0 H ILE A 64 -17.137 5.496 -9.240 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.732 5.270 -7.562 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.246 3.556 -7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.907 5.287 -5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.276 5.806 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.039 2.322 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.221 2.189 -7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.579 3.286 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.001 5.007 -4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.634 3.954 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.243 3.427 -4.353 1.00 0.00 H new ATOM 963 N THR A 65 -13.818 3.497 -9.061 1.00 0.00 N ATOM 964 CA THR A 65 -13.231 2.579 -10.029 1.00 0.00 C ATOM 965 C THR A 65 -12.317 1.569 -9.345 1.00 0.00 C ATOM 966 O THR A 65 -11.149 1.841 -9.067 1.00 0.00 O ATOM 967 CB THR A 65 -12.429 3.335 -11.105 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.214 4.406 -11.639 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.011 2.397 -12.227 1.00 0.00 C ATOM 0 H THR A 65 -13.158 3.868 -8.378 1.00 0.00 H new ATOM 0 HA THR A 65 -14.057 2.052 -10.506 1.00 0.00 H new ATOM 0 HB THR A 65 -11.531 3.741 -10.639 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.696 4.882 -12.321 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.446 2.953 -12.975 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.389 1.599 -11.821 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.898 1.965 -12.690 1.00 0.00 H new ATOM 977 N PRO A 66 -12.858 0.373 -9.067 1.00 0.00 N ATOM 978 CA PRO A 66 -12.107 -0.702 -8.414 1.00 0.00 C ATOM 979 C PRO A 66 -11.029 -1.290 -9.319 1.00 0.00 C ATOM 980 O PRO A 66 -11.210 -1.390 -10.531 1.00 0.00 O ATOM 981 CB PRO A 66 -13.180 -1.750 -8.109 1.00 0.00 C ATOM 982 CG PRO A 66 -14.248 -1.503 -9.119 1.00 0.00 C ATOM 983 CD PRO A 66 -14.244 -0.021 -9.371 1.00 0.00 C ATOM 0 HA PRO A 66 -11.574 -0.348 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.781 -2.761 -8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.562 -1.642 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.052 -2.056 -10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.219 -1.833 -8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.511 0.212 -10.402 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.959 0.497 -8.732 1.00 0.00 H new ATOM 991 N GLY A 67 -9.907 -1.679 -8.720 1.00 0.00 N ATOM 992 CA GLY A 67 -8.818 -2.253 -9.488 1.00 0.00 C ATOM 993 C GLY A 67 -8.784 -3.766 -9.405 1.00 0.00 C ATOM 994 O GLY A 67 -9.755 -4.409 -9.006 1.00 0.00 O ATOM 0 H GLY A 67 -9.733 -1.607 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.915 -1.952 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.871 -1.851 -9.127 1.00 0.00 H new ATOM 998 N PRO A 68 -7.644 -4.359 -9.791 1.00 0.00 N ATOM 999 CA PRO A 68 -7.461 -5.813 -9.769 1.00 0.00 C ATOM 1000 C PRO A 68 -7.383 -6.366 -8.350 1.00 0.00 C ATOM 1001 O PRO A 68 -7.810 -7.489 -8.087 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.129 -6.014 -10.495 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.396 -4.730 -10.304 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.446 -3.654 -10.278 1.00 0.00 C ATOM 0 HA PRO A 68 -8.298 -6.336 -10.232 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.573 -6.853 -10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.283 -6.229 -11.553 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.825 -4.741 -9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.685 -4.562 -11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.165 -2.834 -9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.606 -3.225 -11.267 1.00 0.00 H new ATOM 1012 N ALA A 69 -6.835 -5.569 -7.438 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.704 -5.978 -6.046 1.00 0.00 C ATOM 1014 C ALA A 69 -7.994 -5.722 -5.274 1.00 0.00 C ATOM 1015 O ALA A 69 -7.965 -5.403 -4.085 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.541 -5.249 -5.389 1.00 0.00 C ATOM 0 H ALA A 69 -6.475 -4.636 -7.639 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.506 -7.050 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.455 -5.564 -4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.618 -5.486 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.716 -4.174 -5.429 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.124 -5.864 -5.958 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.425 -5.645 -5.337 1.00 0.00 C ATOM 1024 C TYR A 70 -11.259 -6.923 -5.356 1.00 0.00 C ATOM 1025 O TYR A 70 -11.382 -7.582 -6.388 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.175 -4.523 -6.057 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.341 -3.971 -5.269 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.162 -3.463 -3.988 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.623 -3.958 -5.805 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.225 -2.959 -3.264 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.692 -3.454 -5.090 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.488 -2.957 -3.819 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.549 -2.454 -3.102 1.00 0.00 O ATOM 0 H TYR A 70 -9.165 -6.130 -6.942 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.260 -5.355 -4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.479 -3.713 -6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.539 -4.896 -7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.174 -3.462 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.786 -4.349 -6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.068 -2.569 -2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.681 -3.449 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.256 -2.238 -2.192 1.00 0.00 H new ATOM 1043 N SER A 71 -11.832 -7.265 -4.207 1.00 0.00 N ATOM 1044 CA SER A 71 -12.652 -8.465 -4.088 1.00 0.00 C ATOM 1045 C SER A 71 -14.021 -8.131 -3.503 1.00 0.00 C ATOM 1046 O SER A 71 -14.697 -8.994 -2.945 1.00 0.00 O ATOM 1047 CB SER A 71 -11.950 -9.504 -3.213 1.00 0.00 C ATOM 1048 OG SER A 71 -10.929 -10.172 -3.933 1.00 0.00 O ATOM 0 H SER A 71 -11.744 -6.728 -3.344 1.00 0.00 H new ATOM 0 HA SER A 71 -12.794 -8.879 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.522 -9.017 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.678 -10.230 -2.850 1.00 0.00 H new ATOM 0 HG SER A 71 -10.495 -10.830 -3.351 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.423 -6.871 -3.635 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.711 -6.422 -3.119 1.00 0.00 C ATOM 1056 C ASN A 72 -15.792 -6.621 -1.609 1.00 0.00 C ATOM 1057 O ASN A 72 -16.800 -7.100 -1.089 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.851 -7.177 -3.807 1.00 0.00 C ATOM 1059 CG ASN A 72 -16.867 -6.958 -5.307 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -16.145 -7.621 -6.051 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -17.695 -6.022 -5.759 1.00 0.00 N ATOM 0 H ASN A 72 -13.876 -6.143 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.808 -5.358 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.755 -8.243 -3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.803 -6.855 -3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.750 -5.829 -6.759 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.276 -5.496 -5.106 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.723 -6.251 -0.911 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.672 -6.390 0.539 1.00 0.00 C ATOM 1070 C ARG A 73 -14.237 -5.083 1.196 1.00 0.00 C ATOM 1071 O ARG A 73 -14.637 -4.778 2.319 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.713 -7.515 0.932 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.054 -8.854 0.300 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.413 -10.007 1.057 1.00 0.00 C ATOM 1075 NE ARG A 73 -12.018 -10.206 0.672 1.00 0.00 N ATOM 1076 CZ ARG A 73 -11.000 -9.573 1.243 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.220 -8.705 2.221 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.759 -9.808 0.837 1.00 0.00 N ATOM 0 H ARG A 73 -13.881 -5.853 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.674 -6.637 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.700 -7.234 0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.718 -7.623 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.136 -8.985 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.716 -8.865 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.469 -9.813 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.975 -10.922 0.868 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.815 -10.868 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.173 -8.522 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.436 -8.220 2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.586 -10.476 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.978 -9.321 1.276 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.415 -4.316 0.487 1.00 0.00 N ATOM 1093 CA GLU A 74 -12.924 -3.043 1.002 1.00 0.00 C ATOM 1094 C GLU A 74 -13.856 -1.901 0.606 1.00 0.00 C ATOM 1095 O GLU A 74 -14.480 -1.931 -0.455 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.512 -2.767 0.481 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.443 -3.624 1.138 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.396 -5.031 0.575 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -10.474 -5.177 -0.663 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -10.281 -5.985 1.372 1.00 0.00 O ATOM 0 H GLU A 74 -13.075 -4.554 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.896 -3.107 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.491 -2.937 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.273 -1.716 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.470 -3.151 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.630 -3.672 2.211 1.00 0.00 H new ATOM 1107 N THR A 75 -13.946 -0.893 1.469 1.00 0.00 N ATOM 1108 CA THR A 75 -14.802 0.258 1.212 1.00 0.00 C ATOM 1109 C THR A 75 -14.098 1.560 1.579 1.00 0.00 C ATOM 1110 O THR A 75 -13.655 1.738 2.714 1.00 0.00 O ATOM 1111 CB THR A 75 -16.123 0.163 1.999 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.839 -1.016 1.614 1.00 0.00 O ATOM 1113 CG2 THR A 75 -16.988 1.390 1.755 1.00 0.00 C ATOM 0 H THR A 75 -13.436 -0.851 2.352 1.00 0.00 H new ATOM 0 HA THR A 75 -15.022 0.255 0.145 1.00 0.00 H new ATOM 0 HB THR A 75 -15.884 0.112 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.677 -1.070 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.915 1.300 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.452 2.283 2.076 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.218 1.468 0.692 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.000 2.466 0.613 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.351 3.752 0.836 1.00 0.00 C ATOM 1123 C ILE A 76 -14.190 4.641 1.748 1.00 0.00 C ATOM 1124 O ILE A 76 -15.332 4.313 2.072 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.097 4.492 -0.491 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.895 3.490 -1.629 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.888 5.408 -0.363 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.171 3.150 -2.368 1.00 0.00 C ATOM 0 H ILE A 76 -14.362 2.334 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.395 3.544 1.316 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.969 5.103 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.172 3.897 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.464 2.574 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.721 5.924 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.068 6.141 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.008 4.816 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.953 2.435 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.889 2.714 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.592 4.056 -2.803 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.617 5.767 2.157 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.312 6.704 3.033 1.00 0.00 C ATOM 1142 C TYR A 77 -14.080 8.143 2.585 1.00 0.00 C ATOM 1143 O TYR A 77 -13.147 8.446 1.840 1.00 0.00 O ATOM 1144 CB TYR A 77 -13.845 6.525 4.478 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.622 5.477 5.241 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.569 4.138 4.872 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.410 5.824 6.332 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.278 3.177 5.566 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.121 4.870 7.032 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.053 3.548 6.645 1.00 0.00 C ATOM 1151 OH TYR A 77 -16.760 2.593 7.340 1.00 0.00 O ATOM 0 H TYR A 77 -12.673 6.054 1.896 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.380 6.493 2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -12.789 6.254 4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -13.930 7.479 4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.963 3.844 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.467 6.858 6.638 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.226 2.141 5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.727 5.157 7.878 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.254 3.019 8.072 1.00 0.00 H new ATOM 1161 N PRO A 78 -14.947 9.054 3.051 1.00 0.00 N ATOM 1162 CA PRO A 78 -14.858 10.478 2.713 1.00 0.00 C ATOM 1163 C PRO A 78 -13.652 11.152 3.359 1.00 0.00 C ATOM 1164 O PRO A 78 -13.384 12.328 3.119 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.159 11.058 3.273 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.545 10.129 4.372 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.082 8.764 3.943 1.00 0.00 C ATOM 0 HA PRO A 78 -14.732 10.636 1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.013 12.072 3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.933 11.108 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.078 10.422 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.623 10.142 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.778 8.156 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.870 8.216 3.426 1.00 0.00 H new ATOM 1175 N ASN A 79 -12.928 10.398 4.180 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.750 10.924 4.861 1.00 0.00 C ATOM 1177 C ASN A 79 -10.487 10.207 4.395 1.00 0.00 C ATOM 1178 O ASN A 79 -9.448 10.267 5.053 1.00 0.00 O ATOM 1179 CB ASN A 79 -11.904 10.778 6.377 1.00 0.00 C ATOM 1180 CG ASN A 79 -12.810 9.623 6.757 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -12.431 8.416 6.353 1.00 0.00 O flip ATOM 1182 ND2 ASN A 79 -13.838 9.813 7.407 1.00 0.00 N flip ATOM 0 H ASN A 79 -13.136 9.422 4.390 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.659 11.981 4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.922 10.629 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.307 11.703 6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.091 10.758 7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.437 9.026 7.656 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.584 9.528 3.257 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.449 8.802 2.701 1.00 0.00 C ATOM 1191 C ALA A 80 -9.149 7.548 3.515 1.00 0.00 C ATOM 1192 O ALA A 80 -7.994 7.143 3.646 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.224 9.702 2.643 1.00 0.00 C ATOM 0 H ALA A 80 -11.437 9.466 2.702 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.707 8.493 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.384 9.147 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.437 10.566 2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.972 10.039 3.649 1.00 0.00 H new ATOM 1199 N SER A 81 -10.196 6.937 4.061 1.00 0.00 N ATOM 1200 CA SER A 81 -10.043 5.731 4.867 1.00 0.00 C ATOM 1201 C SER A 81 -10.682 4.531 4.175 1.00 0.00 C ATOM 1202 O SER A 81 -11.672 4.669 3.454 1.00 0.00 O ATOM 1203 CB SER A 81 -10.670 5.932 6.248 1.00 0.00 C ATOM 1204 OG SER A 81 -9.892 6.815 7.038 1.00 0.00 O ATOM 0 H SER A 81 -11.159 7.257 3.960 1.00 0.00 H new ATOM 0 HA SER A 81 -8.977 5.535 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.679 6.330 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.760 4.970 6.753 1.00 0.00 H new ATOM 0 HG SER A 81 -10.367 7.666 7.141 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.109 3.353 4.398 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.622 2.127 3.797 1.00 0.00 C ATOM 1212 C LEU A 82 -10.985 1.105 4.869 1.00 0.00 C ATOM 1213 O LEU A 82 -10.155 0.744 5.705 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.587 1.533 2.840 1.00 0.00 C ATOM 1215 CG LEU A 82 -10.018 0.280 2.078 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.740 0.657 0.794 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.814 -0.601 1.776 1.00 0.00 C ATOM 0 H LEU A 82 -9.289 3.221 4.990 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.524 2.376 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.312 2.298 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.689 1.296 3.410 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.708 -0.284 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.039 -0.248 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.625 1.246 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.074 1.244 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.140 -1.488 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.100 -0.045 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.339 -0.901 2.710 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.229 0.641 4.840 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.702 -0.342 5.808 1.00 0.00 C ATOM 1231 C LEU A 83 -12.585 -1.757 5.250 1.00 0.00 C ATOM 1232 O LEU A 83 -13.317 -2.136 4.336 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.154 -0.052 6.192 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.866 -1.138 6.999 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.482 -1.049 8.468 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.374 -1.025 6.831 1.00 0.00 C ATOM 0 H LEU A 83 -12.929 0.930 4.156 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.076 -0.269 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.179 0.874 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.722 0.124 5.278 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.551 -2.111 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.998 -1.830 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.405 -1.181 8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.767 -0.073 8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.864 -1.806 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.707 -0.048 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.632 -1.140 5.778 1.00 0.00 H new ATOM 1248 N MET A 84 -11.662 -2.533 5.807 1.00 0.00 N ATOM 1249 CA MET A 84 -11.452 -3.908 5.366 1.00 0.00 C ATOM 1250 C MET A 84 -12.349 -4.869 6.139 1.00 0.00 C ATOM 1251 O MET A 84 -12.394 -4.838 7.369 1.00 0.00 O ATOM 1252 CB MET A 84 -9.985 -4.305 5.545 1.00 0.00 C ATOM 1253 CG MET A 84 -9.509 -5.340 4.539 1.00 0.00 C ATOM 1254 SD MET A 84 -7.755 -5.179 4.154 1.00 0.00 S ATOM 1255 CE MET A 84 -7.705 -3.514 3.495 1.00 0.00 C ATOM 0 H MET A 84 -11.047 -2.234 6.564 1.00 0.00 H new ATOM 0 HA MET A 84 -11.711 -3.968 4.309 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.363 -3.414 5.459 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.843 -4.697 6.552 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.700 -6.338 4.932 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.089 -5.242 3.621 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.289 -3.534 2.488 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.715 -3.105 3.463 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.081 -2.889 4.133 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.062 -5.722 5.410 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.958 -6.691 6.028 1.00 0.00 C ATOM 1267 C ARG A 85 -13.474 -8.116 5.778 1.00 0.00 C ATOM 1268 O ARG A 85 -12.785 -8.385 4.795 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.379 -6.522 5.486 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.179 -5.444 6.200 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.588 -5.334 5.640 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.465 -6.381 6.155 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.022 -6.347 7.361 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -18.793 -5.323 8.171 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.809 -7.339 7.758 1.00 0.00 N ATOM 0 H ARG A 85 -13.036 -5.761 4.391 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.962 -6.510 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.328 -6.281 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.907 -7.472 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.226 -5.670 7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.670 -4.485 6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -18.003 -4.358 5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.551 -5.394 4.552 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.661 -7.183 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.188 -4.559 7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.222 -5.299 9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.987 -8.129 7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.236 -7.312 8.684 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.839 -9.026 6.676 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.441 -10.424 6.553 1.00 0.00 C ATOM 1291 C ASN A 86 -11.948 -10.540 6.264 1.00 0.00 C ATOM 1292 O ASN A 86 -11.536 -11.235 5.335 1.00 0.00 O ATOM 1293 CB ASN A 86 -14.242 -11.108 5.444 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.566 -11.657 5.940 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -15.792 -11.767 7.146 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.448 -12.005 5.011 1.00 0.00 N ATOM 0 H ASN A 86 -14.409 -8.820 7.496 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.649 -10.921 7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.426 -10.395 4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.651 -11.920 5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.356 -12.381 5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.218 -11.896 4.023 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.139 -9.856 7.068 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.691 -9.884 6.900 1.00 0.00 C ATOM 1305 C VAL A 87 -9.161 -11.313 6.939 1.00 0.00 C ATOM 1306 O VAL A 87 -9.901 -12.254 7.225 1.00 0.00 O ATOM 1307 CB VAL A 87 -8.984 -9.055 7.989 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.366 -7.588 7.876 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.318 -9.597 9.371 1.00 0.00 C ATOM 0 H VAL A 87 -11.462 -9.276 7.842 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.476 -9.447 5.925 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.907 -9.137 7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.857 -7.019 8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.071 -7.210 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.444 -7.482 7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.810 -9.000 10.128 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.395 -9.547 9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.988 -10.633 9.445 1.00 0.00 H new ATOM 1319 N THR A 88 -7.873 -11.468 6.649 1.00 0.00 N ATOM 1320 CA THR A 88 -7.242 -12.782 6.650 1.00 0.00 C ATOM 1321 C THR A 88 -5.741 -12.671 6.892 1.00 0.00 C ATOM 1322 O THR A 88 -5.104 -11.708 6.465 1.00 0.00 O ATOM 1323 CB THR A 88 -7.484 -13.522 5.321 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.053 -12.710 4.223 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.956 -13.869 5.155 1.00 0.00 C ATOM 0 H THR A 88 -7.246 -10.699 6.410 1.00 0.00 H new ATOM 0 HA THR A 88 -7.696 -13.351 7.461 1.00 0.00 H new ATOM 0 HB THR A 88 -6.909 -14.448 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.209 -13.188 3.382 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.102 -14.391 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.273 -14.511 5.977 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.548 -12.954 5.160 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.182 -13.663 7.577 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.755 -13.677 7.875 1.00 0.00 C ATOM 1335 C ARG A 89 -2.939 -13.301 6.642 1.00 0.00 C ATOM 1336 O ARG A 89 -1.851 -12.737 6.754 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.331 -15.057 8.380 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.499 -16.161 7.349 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.511 -17.535 8.001 1.00 0.00 C ATOM 1340 NE ARG A 89 -3.521 -18.610 7.013 1.00 0.00 N ATOM 1341 CZ ARG A 89 -2.436 -19.025 6.369 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -1.261 -18.459 6.608 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -2.525 -20.009 5.483 1.00 0.00 N ATOM 0 H ARG A 89 -5.696 -14.468 7.936 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.565 -12.939 8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.287 -15.016 8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.916 -15.306 9.265 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.428 -16.009 6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.688 -16.109 6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.635 -17.640 8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.388 -17.624 8.642 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.409 -19.067 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.188 -17.702 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.430 -18.780 6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.427 -20.447 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.691 -20.327 4.989 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.471 -13.620 5.466 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.791 -13.318 4.212 1.00 0.00 C ATOM 1359 C ASN A 90 -2.737 -11.812 3.972 1.00 0.00 C ATOM 1360 O ASN A 90 -1.683 -11.261 3.654 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.500 -14.006 3.044 1.00 0.00 C ATOM 1362 CG ASN A 90 -2.609 -14.140 1.824 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -2.686 -13.336 0.895 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -1.758 -15.159 1.822 1.00 0.00 N ATOM 0 H ASN A 90 -4.371 -14.087 5.356 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.770 -13.695 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.834 -14.995 3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.392 -13.438 2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.133 -15.300 1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.729 -15.801 2.614 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.879 -11.152 4.127 1.00 0.00 N ATOM 1372 CA ASP A 91 -3.963 -9.710 3.929 1.00 0.00 C ATOM 1373 C ASP A 91 -2.764 -9.005 4.557 1.00 0.00 C ATOM 1374 O ASP A 91 -2.224 -8.053 3.993 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.261 -9.165 4.527 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.466 -9.453 3.653 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.389 -10.384 2.824 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.486 -8.749 3.799 1.00 0.00 O ATOM 0 H ASP A 91 -4.760 -11.593 4.389 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.957 -9.515 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.417 -9.605 5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.168 -8.088 4.670 1.00 0.00 H new ATOM 1383 N THR A 92 -2.353 -9.479 5.729 1.00 0.00 N ATOM 1384 CA THR A 92 -1.221 -8.893 6.436 1.00 0.00 C ATOM 1385 C THR A 92 -0.091 -8.547 5.472 1.00 0.00 C ATOM 1386 O THR A 92 0.420 -9.413 4.763 1.00 0.00 O ATOM 1387 CB THR A 92 -0.681 -9.845 7.520 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.770 -10.428 8.245 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.237 -9.106 8.481 1.00 0.00 C ATOM 0 H THR A 92 -2.787 -10.267 6.209 1.00 0.00 H new ATOM 0 HA THR A 92 -1.583 -7.981 6.911 1.00 0.00 H new ATOM 0 HB THR A 92 -0.108 -10.632 7.029 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.973 -11.312 7.875 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.606 -9.799 9.237 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.080 -8.688 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.315 -8.301 8.965 1.00 0.00 H new ATOM 1397 N GLY A 93 0.295 -7.275 5.452 1.00 0.00 N ATOM 1398 CA GLY A 93 1.362 -6.837 4.572 1.00 0.00 C ATOM 1399 C GLY A 93 1.547 -5.333 4.589 1.00 0.00 C ATOM 1400 O GLY A 93 2.117 -4.781 5.530 1.00 0.00 O ATOM 0 H GLY A 93 -0.113 -6.540 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.294 -7.318 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.146 -7.162 3.554 1.00 0.00 H new ATOM 1404 N SER A 94 1.067 -4.667 3.543 1.00 0.00 N ATOM 1405 CA SER A 94 1.188 -3.218 3.438 1.00 0.00 C ATOM 1406 C SER A 94 0.115 -2.649 2.515 1.00 0.00 C ATOM 1407 O SER A 94 -0.293 -3.293 1.548 1.00 0.00 O ATOM 1408 CB SER A 94 2.576 -2.836 2.922 1.00 0.00 C ATOM 1409 OG SER A 94 3.585 -3.213 3.844 1.00 0.00 O ATOM 0 H SER A 94 0.591 -5.108 2.756 1.00 0.00 H new ATOM 0 HA SER A 94 1.050 -2.794 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.757 -3.320 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.620 -1.761 2.750 1.00 0.00 H new ATOM 0 HG SER A 94 3.176 -3.672 4.607 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.337 -1.438 2.819 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.364 -0.781 2.019 1.00 0.00 C ATOM 1417 C TYR A 95 -1.060 0.705 1.855 1.00 0.00 C ATOM 1418 O TYR A 95 -1.138 1.476 2.812 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.738 -0.964 2.665 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.187 -2.407 2.736 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.567 -3.306 3.595 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -4.231 -2.869 1.945 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -2.973 -4.625 3.662 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.645 -4.186 2.007 1.00 0.00 C ATOM 1425 CZ TYR A 95 -4.012 -5.060 2.866 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.421 -6.372 2.931 1.00 0.00 O ATOM 0 H TYR A 95 -0.008 -0.891 3.614 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.370 -1.243 1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.714 -0.550 3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.474 -0.391 2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.754 -2.968 4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.728 -2.188 1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.480 -5.312 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.460 -4.529 1.386 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.687 -6.927 3.266 1.00 0.00 H new ATOM 1436 N THR A 96 -0.714 1.101 0.634 1.00 0.00 N ATOM 1437 CA THR A 96 -0.398 2.493 0.343 1.00 0.00 C ATOM 1438 C THR A 96 -1.649 3.271 -0.046 1.00 0.00 C ATOM 1439 O THR A 96 -2.418 2.842 -0.908 1.00 0.00 O ATOM 1440 CB THR A 96 0.638 2.609 -0.791 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.796 1.826 -0.479 1.00 0.00 O ATOM 1442 CG2 THR A 96 1.044 4.059 -1.007 1.00 0.00 C ATOM 0 H THR A 96 -0.646 0.476 -0.169 1.00 0.00 H new ATOM 0 HA THR A 96 0.023 2.918 1.254 1.00 0.00 H new ATOM 0 HB THR A 96 0.183 2.235 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.539 0.885 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.776 4.116 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.166 4.647 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.482 4.455 -0.090 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.850 4.419 0.593 1.00 0.00 N ATOM 1451 CA LEU A 97 -3.009 5.258 0.313 1.00 0.00 C ATOM 1452 C LEU A 97 -2.578 6.628 -0.203 1.00 0.00 C ATOM 1453 O LEU A 97 -1.999 7.425 0.535 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.862 5.421 1.572 1.00 0.00 C ATOM 1455 CG LEU A 97 -4.994 6.446 1.489 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.467 7.845 1.767 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.667 6.388 0.125 1.00 0.00 C ATOM 0 H LEU A 97 -1.225 4.789 1.309 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.602 4.769 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.294 4.452 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.206 5.700 2.397 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.737 6.202 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.286 8.562 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.032 7.878 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.705 8.100 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.470 7.124 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.934 6.607 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.079 5.392 -0.035 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.866 6.894 -1.473 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.509 8.167 -2.086 1.00 0.00 C ATOM 1471 C GLN A 98 -3.696 9.125 -2.082 1.00 0.00 C ATOM 1472 O GLN A 98 -4.839 8.715 -2.285 1.00 0.00 O ATOM 1473 CB GLN A 98 -2.020 7.948 -3.519 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.987 9.220 -4.351 1.00 0.00 C ATOM 1475 CD GLN A 98 -1.692 8.952 -5.814 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -2.604 8.748 -6.616 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -0.412 8.953 -6.170 1.00 0.00 N ATOM 0 H GLN A 98 -3.345 6.245 -2.097 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.705 8.611 -1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.020 7.516 -3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.668 7.220 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.946 9.731 -4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.230 9.893 -3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.311 9.127 -5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.153 8.780 -7.141 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.418 10.404 -1.849 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.462 11.420 -1.819 1.00 0.00 C ATOM 1488 C VAL A 99 -4.167 12.542 -2.809 1.00 0.00 C ATOM 1489 O VAL A 99 -3.179 13.263 -2.668 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.619 12.023 -0.410 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -5.860 12.900 -0.340 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -4.676 10.921 0.637 1.00 0.00 C ATOM 0 H VAL A 99 -2.478 10.761 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.392 10.926 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.750 12.647 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.955 13.317 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.774 13.710 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.742 12.301 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.787 11.365 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.526 10.270 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.756 10.338 0.602 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.029 12.682 -3.810 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.861 13.716 -4.823 1.00 0.00 C ATOM 1504 C ILE A 100 -5.604 14.991 -4.436 1.00 0.00 C ATOM 1505 O ILE A 100 -6.627 14.943 -3.753 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.361 13.242 -6.201 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.498 12.087 -6.711 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.352 14.395 -7.193 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -4.966 10.728 -6.239 1.00 0.00 C ATOM 0 H ILE A 100 -5.851 12.092 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.793 13.925 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.386 12.886 -6.096 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.493 12.102 -7.801 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.469 12.241 -6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.708 14.044 -8.162 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.005 15.190 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.337 14.778 -7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.307 9.957 -6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.945 10.694 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.984 10.552 -6.588 1.00 0.00 H new ATOM 1521 N LYS A 101 -5.083 16.130 -4.879 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.697 17.419 -4.582 1.00 0.00 C ATOM 1523 C LYS A 101 -6.050 18.162 -5.867 1.00 0.00 C ATOM 1524 O LYS A 101 -5.423 17.955 -6.907 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.756 18.271 -3.729 1.00 0.00 C ATOM 1526 CG LYS A 101 -4.369 17.619 -2.413 1.00 0.00 C ATOM 1527 CD LYS A 101 -3.093 16.806 -2.547 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.862 17.647 -2.244 1.00 0.00 C ATOM 1529 NZ LYS A 101 -0.604 16.863 -2.393 1.00 0.00 N ATOM 0 H LYS A 101 -4.237 16.187 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.616 17.236 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.852 18.481 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.233 19.229 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.234 18.387 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.179 16.973 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.130 15.955 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.021 16.404 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.836 18.507 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.929 18.036 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.208 16.660 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.808 15.969 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.084 17.412 -2.947 1.00 0.00 H new ATOM 1543 N LEU A 102 -7.054 19.028 -5.788 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.488 19.804 -6.944 1.00 0.00 C ATOM 1545 C LEU A 102 -6.318 20.562 -7.563 1.00 0.00 C ATOM 1546 O LEU A 102 -6.407 21.051 -8.688 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.589 20.785 -6.540 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.979 20.184 -6.326 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.760 20.167 -7.631 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.870 18.780 -5.749 1.00 0.00 C ATOM 0 H LEU A 102 -7.583 19.210 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.882 19.111 -7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.285 21.282 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.662 21.554 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.518 20.808 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.746 19.736 -7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.869 21.186 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.225 19.567 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.869 18.368 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.313 18.146 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.351 18.819 -4.792 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.219 20.653 -6.819 1.00 0.00 N ATOM 1563 CA ASN A 103 -4.030 21.349 -7.295 1.00 0.00 C ATOM 1564 C ASN A 103 -3.167 20.428 -8.153 1.00 0.00 C ATOM 1565 O ASN A 103 -1.976 20.678 -8.346 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.215 21.876 -6.113 1.00 0.00 C ATOM 1567 CG ASN A 103 -2.270 22.993 -6.513 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -0.972 22.748 -6.377 1.00 0.00 O flip ATOM 1569 ND2 ASN A 103 -2.703 24.064 -6.941 1.00 0.00 N flip ATOM 0 H ASN A 103 -5.128 20.253 -5.885 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.353 22.190 -7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.893 22.237 -5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.642 21.058 -5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.709 24.209 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.056 24.806 -7.207 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.775 19.364 -8.664 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.063 18.405 -9.502 1.00 0.00 C ATOM 1578 C LEU A 104 -1.883 17.797 -8.751 1.00 0.00 C ATOM 1579 O LEU A 104 -0.837 17.520 -9.338 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.572 19.083 -10.783 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.658 19.615 -11.719 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.035 20.322 -12.912 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -4.566 18.484 -12.180 1.00 0.00 C ATOM 0 H LEU A 104 -4.759 19.143 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.755 17.605 -9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.922 19.912 -10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.961 18.370 -11.336 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.262 20.337 -11.170 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.823 20.694 -13.567 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.428 21.158 -12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.406 19.622 -13.462 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.333 18.881 -12.845 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.976 17.737 -12.711 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.041 18.022 -11.314 1.00 0.00 H new ATOM 1595 N MET A 105 -2.059 17.590 -7.450 1.00 0.00 N ATOM 1596 CA MET A 105 -1.009 17.011 -6.620 1.00 0.00 C ATOM 1597 C MET A 105 -1.454 15.674 -6.035 1.00 0.00 C ATOM 1598 O MET A 105 -2.614 15.284 -6.167 1.00 0.00 O ATOM 1599 CB MET A 105 -0.632 17.974 -5.492 1.00 0.00 C ATOM 1600 CG MET A 105 -0.099 19.309 -5.987 1.00 0.00 C ATOM 1601 SD MET A 105 1.035 20.080 -4.816 1.00 0.00 S ATOM 1602 CE MET A 105 2.596 19.375 -5.341 1.00 0.00 C ATOM 0 H MET A 105 -2.918 17.814 -6.948 1.00 0.00 H new ATOM 0 HA MET A 105 -0.136 16.840 -7.249 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.508 18.150 -4.868 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.121 17.503 -4.859 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.412 19.162 -6.939 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.935 19.983 -6.175 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.398 19.757 -4.710 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.552 18.289 -5.255 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.788 19.649 -6.378 1.00 0.00 H new ATOM 1612 N SER A 106 -0.525 14.977 -5.389 1.00 0.00 N ATOM 1613 CA SER A 106 -0.821 13.682 -4.788 1.00 0.00 C ATOM 1614 C SER A 106 0.065 13.432 -3.571 1.00 0.00 C ATOM 1615 O SER A 106 1.196 13.914 -3.505 1.00 0.00 O ATOM 1616 CB SER A 106 -0.626 12.563 -5.813 1.00 0.00 C ATOM 1617 OG SER A 106 0.701 12.553 -6.311 1.00 0.00 O ATOM 0 H SER A 106 0.439 15.287 -5.268 1.00 0.00 H new ATOM 0 HA SER A 106 -1.861 13.690 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.852 11.601 -5.353 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.326 12.695 -6.638 1.00 0.00 H new ATOM 0 HG SER A 106 0.800 11.828 -6.963 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.458 12.676 -2.611 1.00 0.00 N ATOM 1624 CA GLU A 107 0.285 12.364 -1.396 1.00 0.00 C ATOM 1625 C GLU A 107 0.530 10.862 -1.279 1.00 0.00 C ATOM 1626 O GLU A 107 -0.020 10.072 -2.046 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.473 12.865 -0.165 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.115 14.287 0.233 1.00 0.00 C ATOM 1629 CD GLU A 107 1.208 14.371 0.970 1.00 0.00 C ATOM 1630 OE1 GLU A 107 2.054 13.474 0.775 1.00 0.00 O ATOM 1631 OE2 GLU A 107 1.397 15.336 1.740 1.00 0.00 O ATOM 0 H GLU A 107 -1.392 12.269 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 107 1.249 12.869 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.544 12.810 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.268 12.199 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.069 14.910 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.905 14.693 0.865 1.00 0.00 H new ATOM 1638 N GLU A 108 1.360 10.477 -0.315 1.00 0.00 N ATOM 1639 CA GLU A 108 1.679 9.070 -0.099 1.00 0.00 C ATOM 1640 C GLU A 108 1.713 8.743 1.391 1.00 0.00 C ATOM 1641 O GLU A 108 2.306 9.472 2.185 1.00 0.00 O ATOM 1642 CB GLU A 108 3.026 8.726 -0.739 1.00 0.00 C ATOM 1643 CG GLU A 108 2.935 8.432 -2.227 1.00 0.00 C ATOM 1644 CD GLU A 108 4.211 8.779 -2.969 1.00 0.00 C ATOM 1645 OE1 GLU A 108 5.212 8.052 -2.801 1.00 0.00 O ATOM 1646 OE2 GLU A 108 4.208 9.778 -3.719 1.00 0.00 O ATOM 0 H GLU A 108 1.823 11.119 0.328 1.00 0.00 H new ATOM 0 HA GLU A 108 0.899 8.470 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.716 9.556 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.449 7.859 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.711 7.375 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.106 8.995 -2.655 1.00 0.00 H new ATOM 1653 N VAL A 109 1.072 7.639 1.763 1.00 0.00 N ATOM 1654 CA VAL A 109 1.028 7.213 3.156 1.00 0.00 C ATOM 1655 C VAL A 109 0.782 5.713 3.265 1.00 0.00 C ATOM 1656 O VAL A 109 -0.281 5.217 2.889 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.069 7.960 3.937 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.366 7.989 3.143 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.283 7.319 5.300 1.00 0.00 C ATOM 0 H VAL A 109 0.576 7.024 1.118 1.00 0.00 H new ATOM 0 HA VAL A 109 1.999 7.451 3.590 1.00 0.00 H new ATOM 0 HB VAL A 109 0.257 8.989 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.129 8.521 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.200 8.498 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.700 6.969 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.062 7.860 5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.586 6.280 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.645 7.357 5.870 1.00 0.00 H new ATOM 1669 N THR A 110 1.771 4.992 3.783 1.00 0.00 N ATOM 1670 CA THR A 110 1.663 3.547 3.941 1.00 0.00 C ATOM 1671 C THR A 110 0.946 3.188 5.238 1.00 0.00 C ATOM 1672 O THR A 110 1.533 3.240 6.318 1.00 0.00 O ATOM 1673 CB THR A 110 3.049 2.875 3.931 1.00 0.00 C ATOM 1674 OG1 THR A 110 3.967 3.658 3.160 1.00 0.00 O ATOM 1675 CG2 THR A 110 2.965 1.470 3.355 1.00 0.00 C ATOM 0 H THR A 110 2.657 5.386 4.101 1.00 0.00 H new ATOM 0 HA THR A 110 1.083 3.179 3.094 1.00 0.00 H new ATOM 0 HB THR A 110 3.404 2.808 4.960 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.846 3.225 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.956 1.016 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.288 0.868 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.591 1.518 2.332 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.327 2.823 5.123 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.103 2.460 6.295 1.00 0.00 C ATOM 1685 C GLY A 111 -1.699 1.070 6.188 1.00 0.00 C ATOM 1686 O GLY A 111 -2.615 0.841 5.399 1.00 0.00 O ATOM 0 H GLY A 111 -0.835 2.772 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.467 2.512 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.904 3.186 6.436 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.176 0.141 6.982 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.662 -1.234 6.970 1.00 0.00 C ATOM 1692 C GLN A 112 -1.951 -1.720 8.386 1.00 0.00 C ATOM 1693 O GLN A 112 -1.826 -0.966 9.351 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.638 -2.152 6.301 1.00 0.00 C ATOM 1695 CG GLN A 112 0.669 -2.268 7.069 1.00 0.00 C ATOM 1696 CD GLN A 112 1.448 -0.967 7.094 1.00 0.00 C ATOM 1697 OE1 GLN A 112 1.861 -0.501 5.921 1.00 0.00 O flip ATOM 1698 NE2 GLN A 112 1.676 -0.387 8.156 1.00 0.00 N flip ATOM 0 H GLN A 112 -0.417 0.315 7.641 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.591 -1.261 6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -1.072 -3.145 6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.429 -1.779 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.459 -2.581 8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.284 -3.047 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.340 -0.781 9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.201 0.487 8.157 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.338 -2.986 8.504 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.647 -3.574 9.802 1.00 0.00 C ATOM 1709 C PHE A 113 -2.108 -4.999 9.896 1.00 0.00 C ATOM 1710 O PHE A 113 -1.426 -5.477 8.990 1.00 0.00 O ATOM 1711 CB PHE A 113 -4.158 -3.571 10.041 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.929 -4.342 9.009 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -5.296 -3.749 7.812 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.289 -5.661 9.236 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -6.005 -4.456 6.859 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -5.998 -6.374 8.287 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.358 -5.770 7.098 1.00 0.00 C ATOM 0 H PHE A 113 -2.445 -3.625 7.716 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.164 -2.970 10.570 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.363 -3.992 11.025 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.514 -2.541 10.054 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.025 -2.721 7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.012 -6.137 10.165 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.282 -3.982 5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.270 -7.402 8.475 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.914 -6.324 6.357 1.00 0.00 H new ATOM 1727 N SER A 114 -2.419 -5.671 11.000 1.00 0.00 N ATOM 1728 CA SER A 114 -1.963 -7.039 11.216 1.00 0.00 C ATOM 1729 C SER A 114 -3.120 -7.935 11.647 1.00 0.00 C ATOM 1730 O SER A 114 -3.955 -7.542 12.462 1.00 0.00 O ATOM 1731 CB SER A 114 -0.857 -7.070 12.272 1.00 0.00 C ATOM 1732 OG SER A 114 0.205 -6.199 11.925 1.00 0.00 O ATOM 0 H SER A 114 -2.985 -5.290 11.759 1.00 0.00 H new ATOM 0 HA SER A 114 -1.565 -7.417 10.274 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.266 -6.781 13.240 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.478 -8.087 12.376 1.00 0.00 H new ATOM 0 HG SER A 114 0.898 -6.236 12.617 1.00 0.00 H new ATOM 1738 N VAL A 115 -3.163 -9.143 11.094 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.216 -10.097 11.422 1.00 0.00 C ATOM 1740 C VAL A 115 -3.665 -11.268 12.228 1.00 0.00 C ATOM 1741 O VAL A 115 -2.605 -11.809 11.913 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.897 -10.639 10.151 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -6.024 -11.594 10.515 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.414 -9.493 9.294 1.00 0.00 C ATOM 0 H VAL A 115 -2.481 -9.484 10.417 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.953 -9.562 12.021 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.158 -11.192 9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.493 -11.967 9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.621 -12.431 11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.766 -11.069 11.117 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.892 -9.894 8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.139 -8.911 9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.582 -8.852 9.004 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.393 -11.655 13.271 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.978 -12.763 14.124 1.00 0.00 C ATOM 1756 C HIS A 116 -5.162 -13.669 14.452 1.00 0.00 C ATOM 1757 O HIS A 116 -6.179 -13.231 14.989 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.353 -12.234 15.415 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.244 -11.300 16.174 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -4.724 -11.576 17.436 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.741 -10.085 15.842 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -5.479 -10.573 17.847 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.505 -9.655 16.898 1.00 0.00 N ATOM 0 H HIS A 116 -5.273 -11.218 13.546 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.234 -13.348 13.582 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.095 -13.077 16.056 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.423 -11.720 15.174 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.568 -9.553 14.918 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.988 -10.514 18.797 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -6.011 -8.770 16.943 1.00 0.00 H new ATOM 1772 N PRO A 117 -5.028 -14.961 14.120 1.00 0.00 N ATOM 1773 CA PRO A 117 -6.076 -15.955 14.370 1.00 0.00 C ATOM 1774 C PRO A 117 -6.251 -16.253 15.855 1.00 0.00 C ATOM 1775 O PRO A 117 -5.291 -16.592 16.546 1.00 0.00 O ATOM 1776 CB PRO A 117 -5.570 -17.197 13.632 1.00 0.00 C ATOM 1777 CG PRO A 117 -4.090 -17.032 13.582 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.842 -15.553 13.477 1.00 0.00 C ATOM 0 HA PRO A 117 -7.053 -15.610 14.033 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.849 -18.110 14.157 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.995 -17.263 12.630 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.621 -17.444 14.476 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.667 -17.560 12.728 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.923 -15.263 13.985 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.747 -15.234 12.439 1.00 0.00 H new