USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=28 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 19 ASN :FLIP amide:sc= -0.864! C(o=-1.3!,f=-0.47!) USER MOD Set 1.2: A 116 HIS : no HE2:sc= 0.394 K(o=-0.47,f=-8.6!) USER MOD Set 2.1: A 94 SER OG : rot 12:sc= 0.92 USER MOD Set 2.2: A 112 GLN : amide:sc= -0.4 K(o=0.52,f=-4.5!) USER MOD Set 3.1: A 63 GLN : amide:sc= 0.326 K(o=0.63,f=-0.083) USER MOD Set 3.2: A 65 THR OG1 : rot -140:sc= 0.306 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0333 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-0.87) USER MOD Single : A 32 ASN : amide:sc= 1.2 K(o=1.2,f=-0.39) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -173:sc= 0.596 USER MOD Single : A 41 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.648 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.693 K(o=-0.69,f=-7.2!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 70 TYR OH : rot 23:sc= 1.2 USER MOD Single : A 71 SER OG : rot -43:sc= 0.422 USER MOD Single : A 72 ASN :FLIP amide:sc= -3.95! C(o=-5.1!,f=-3.9!) 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 79 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.5!) USER MOD Single : A 81 SER OG : rot 150:sc= -0.466 USER MOD Single : A 84 MET CE :methyl -128:sc= -1.08 (180deg=-4.76!) USER MOD Single : A 86 ASN : amide:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.4) USER MOD Single : A 92 THR OG1 : rot 91:sc= 0.901 USER MOD Single : A 95 TYR OH : rot 49:sc= 1.12 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 98 GLN : amide:sc= -5.98! C(o=-6!,f=-11!) USER MOD Single : A 101 LYS NZ :NH3+ 156:sc= -0.108 (180deg=-0.507) USER MOD Single : A 103 ASN : amide:sc= -3.37! C(o=-3.4!,f=-9.4!) USER MOD Single : A 105 MET CE :methyl -129:sc= 0 (180deg=-0.129) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.442 15.530 9.125 1.00 0.00 N ATOM 91 CA GLN A 10 1.728 14.801 7.895 1.00 0.00 C ATOM 92 C GLN A 10 0.739 13.656 7.699 1.00 0.00 C ATOM 93 O GLN A 10 0.382 12.960 8.651 1.00 0.00 O ATOM 94 CB GLN A 10 3.157 14.257 7.921 1.00 0.00 C ATOM 95 CG GLN A 10 3.348 13.092 8.879 1.00 0.00 C ATOM 96 CD GLN A 10 4.740 12.495 8.803 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.739 13.211 8.873 1.00 0.00 O ATOM 98 NE2 GLN A 10 4.812 11.177 8.658 1.00 0.00 N ATOM 0 HA GLN A 10 1.625 15.493 7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.434 13.939 6.916 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.838 15.061 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.157 13.429 9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.613 12.319 8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.958 10.622 8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.722 10.719 8.600 1.00 0.00 H new ATOM 107 N LEU A 11 0.299 13.467 6.460 1.00 0.00 N ATOM 108 CA LEU A 11 -0.650 12.406 6.139 1.00 0.00 C ATOM 109 C LEU A 11 -0.260 11.101 6.824 1.00 0.00 C ATOM 110 O LEU A 11 0.801 10.537 6.553 1.00 0.00 O ATOM 111 CB LEU A 11 -0.720 12.200 4.624 1.00 0.00 C ATOM 112 CG LEU A 11 -2.041 11.653 4.082 1.00 0.00 C ATOM 113 CD1 LEU A 11 -3.219 12.321 4.774 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.121 11.851 2.576 1.00 0.00 C ATOM 0 H LEU A 11 0.584 14.034 5.661 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.632 12.707 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.518 13.154 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.079 11.519 4.333 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.083 10.584 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.151 11.919 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.169 12.127 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.183 13.396 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.067 11.456 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.057 12.914 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.296 11.325 2.096 1.00 0.00 H new ATOM 126 N THR A 12 -1.126 10.623 7.712 1.00 0.00 N ATOM 127 CA THR A 12 -0.873 9.383 8.436 1.00 0.00 C ATOM 128 C THR A 12 -2.122 8.510 8.484 1.00 0.00 C ATOM 129 O THR A 12 -3.223 8.969 8.179 1.00 0.00 O ATOM 130 CB THR A 12 -0.397 9.659 9.874 1.00 0.00 C ATOM 131 OG1 THR A 12 0.156 8.468 10.445 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.547 10.154 10.739 1.00 0.00 C ATOM 0 H THR A 12 -2.009 11.076 7.947 1.00 0.00 H new ATOM 0 HA THR A 12 -0.086 8.857 7.896 1.00 0.00 H new ATOM 0 HB THR A 12 0.369 10.433 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.458 8.653 11.359 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.187 10.342 11.750 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.947 11.077 10.319 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.332 9.398 10.768 1.00 0.00 H new ATOM 140 N ILE A 13 -1.943 7.251 8.869 1.00 0.00 N ATOM 141 CA ILE A 13 -3.057 6.315 8.958 1.00 0.00 C ATOM 142 C ILE A 13 -2.906 5.395 10.165 1.00 0.00 C ATOM 143 O ILE A 13 -1.847 4.807 10.380 1.00 0.00 O ATOM 144 CB ILE A 13 -3.176 5.458 7.685 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.449 6.346 6.469 1.00 0.00 C ATOM 146 CG2 ILE A 13 -4.276 4.419 7.846 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.274 5.632 5.147 1.00 0.00 C ATOM 0 H ILE A 13 -1.038 6.856 9.124 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.962 6.912 9.069 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.232 4.937 7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.466 6.732 6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.780 7.206 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.348 3.821 6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.043 3.770 8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.227 4.921 8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.484 6.322 4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.249 5.270 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.962 4.789 5.095 1.00 0.00 H new ATOM 159 N GLU A 14 -3.974 5.275 10.948 1.00 0.00 N ATOM 160 CA GLU A 14 -3.960 4.425 12.132 1.00 0.00 C ATOM 161 C GLU A 14 -5.018 3.330 12.029 1.00 0.00 C ATOM 162 O GLU A 14 -6.207 3.612 11.884 1.00 0.00 O ATOM 163 CB GLU A 14 -4.197 5.262 13.391 1.00 0.00 C ATOM 164 CG GLU A 14 -4.326 4.433 14.658 1.00 0.00 C ATOM 165 CD GLU A 14 -3.912 5.198 15.900 1.00 0.00 C ATOM 166 OE1 GLU A 14 -2.700 5.234 16.197 1.00 0.00 O ATOM 167 OE2 GLU A 14 -4.800 5.760 16.575 1.00 0.00 O ATOM 0 H GLU A 14 -4.859 5.755 10.784 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.979 3.953 12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.373 5.966 13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.104 5.852 13.259 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.359 4.102 14.767 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.712 3.537 14.566 1.00 0.00 H new ATOM 174 N ALA A 15 -4.576 2.079 12.104 1.00 0.00 N ATOM 175 CA ALA A 15 -5.483 0.941 12.021 1.00 0.00 C ATOM 176 C ALA A 15 -6.427 0.904 13.218 1.00 0.00 C ATOM 177 O ALA A 15 -6.008 1.097 14.359 1.00 0.00 O ATOM 178 CB ALA A 15 -4.695 -0.357 11.927 1.00 0.00 C ATOM 0 H ALA A 15 -3.594 1.828 12.222 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.085 1.053 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.385 -1.198 11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.067 -0.338 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.067 -0.467 12.811 1.00 0.00 H new ATOM 184 N VAL A 16 -7.705 0.654 12.950 1.00 0.00 N ATOM 185 CA VAL A 16 -8.709 0.591 14.005 1.00 0.00 C ATOM 186 C VAL A 16 -9.713 -0.527 13.743 1.00 0.00 C ATOM 187 O VAL A 16 -10.592 -0.417 12.888 1.00 0.00 O ATOM 188 CB VAL A 16 -9.467 1.925 14.140 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.540 1.824 15.214 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.499 3.058 14.447 1.00 0.00 C ATOM 0 H VAL A 16 -8.069 0.492 12.011 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.178 0.388 14.935 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.957 2.142 13.191 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.065 2.776 15.295 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.249 1.040 14.947 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.076 1.583 16.170 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.051 3.993 14.539 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.980 2.849 15.382 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.772 3.144 13.640 1.00 0.00 H new ATOM 200 N PRO A 17 -9.581 -1.629 14.495 1.00 0.00 N ATOM 201 CA PRO A 17 -8.538 -1.772 15.515 1.00 0.00 C ATOM 202 C PRO A 17 -7.146 -1.902 14.906 1.00 0.00 C ATOM 203 O PRO A 17 -6.985 -1.859 13.686 1.00 0.00 O ATOM 204 CB PRO A 17 -8.926 -3.062 16.241 1.00 0.00 C ATOM 205 CG PRO A 17 -9.710 -3.839 15.241 1.00 0.00 C ATOM 206 CD PRO A 17 -10.440 -2.822 14.407 1.00 0.00 C ATOM 0 HA PRO A 17 -8.483 -0.900 16.167 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.044 -3.613 16.567 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.518 -2.852 17.132 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.055 -4.453 14.623 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.409 -4.515 15.733 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.558 -3.157 13.377 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.440 -2.627 14.795 1.00 0.00 H new ATOM 214 N SER A 18 -6.142 -2.060 15.763 1.00 0.00 N ATOM 215 CA SER A 18 -4.763 -2.193 15.309 1.00 0.00 C ATOM 216 C SER A 18 -4.399 -3.660 15.100 1.00 0.00 C ATOM 217 O SER A 18 -3.531 -3.986 14.291 1.00 0.00 O ATOM 218 CB SER A 18 -3.807 -1.558 16.321 1.00 0.00 C ATOM 219 OG SER A 18 -2.509 -1.410 15.773 1.00 0.00 O ATOM 0 H SER A 18 -6.258 -2.099 16.776 1.00 0.00 H new ATOM 0 HA SER A 18 -4.669 -1.674 14.355 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.190 -0.584 16.626 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.758 -2.176 17.217 1.00 0.00 H new ATOM 0 HG SER A 18 -1.918 -1.001 16.439 1.00 0.00 H new ATOM 225 N ASN A 19 -5.069 -4.540 15.836 1.00 0.00 N ATOM 226 CA ASN A 19 -4.817 -5.973 15.732 1.00 0.00 C ATOM 227 C ASN A 19 -6.127 -6.753 15.668 1.00 0.00 C ATOM 228 O ASN A 19 -6.650 -7.192 16.692 1.00 0.00 O ATOM 229 CB ASN A 19 -3.982 -6.452 16.921 1.00 0.00 C ATOM 230 CG ASN A 19 -4.756 -6.413 18.224 1.00 0.00 C ATOM 231 OD1 ASN A 19 -4.888 -5.222 18.798 1.00 0.00 O flip ATOM 232 ND2 ASN A 19 -5.231 -7.440 18.709 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.791 -4.287 16.511 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.263 -6.154 14.811 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.640 -7.470 16.735 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.092 -5.829 17.011 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.105 -8.334 18.234 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.750 -7.397 19.586 1.00 0.00 H new ATOM 239 N ALA A 20 -6.650 -6.922 14.459 1.00 0.00 N ATOM 240 CA ALA A 20 -7.897 -7.651 14.261 1.00 0.00 C ATOM 241 C ALA A 20 -7.635 -9.137 14.045 1.00 0.00 C ATOM 242 O ALA A 20 -6.492 -9.557 13.870 1.00 0.00 O ATOM 243 CB ALA A 20 -8.666 -7.072 13.082 1.00 0.00 C ATOM 0 H ALA A 20 -6.230 -6.564 13.601 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.500 -7.542 15.163 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.595 -7.626 12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.894 -6.024 13.276 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.061 -7.151 12.179 1.00 0.00 H new ATOM 249 N ALA A 21 -8.702 -9.930 14.060 1.00 0.00 N ATOM 250 CA ALA A 21 -8.587 -11.369 13.864 1.00 0.00 C ATOM 251 C ALA A 21 -9.323 -11.813 12.604 1.00 0.00 C ATOM 252 O ALA A 21 -10.267 -11.159 12.164 1.00 0.00 O ATOM 253 CB ALA A 21 -9.124 -12.111 15.079 1.00 0.00 C ATOM 0 H ALA A 21 -9.656 -9.599 14.206 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.531 -11.610 13.740 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.032 -13.185 14.919 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.552 -11.825 15.962 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.173 -11.855 15.228 1.00 0.00 H new ATOM 259 N GLU A 22 -8.882 -12.927 12.029 1.00 0.00 N ATOM 260 CA GLU A 22 -9.499 -13.456 10.818 1.00 0.00 C ATOM 261 C GLU A 22 -11.020 -13.371 10.900 1.00 0.00 C ATOM 262 O GLU A 22 -11.625 -13.802 11.881 1.00 0.00 O ATOM 263 CB GLU A 22 -9.069 -14.907 10.592 1.00 0.00 C ATOM 264 CG GLU A 22 -7.706 -15.044 9.935 1.00 0.00 C ATOM 265 CD GLU A 22 -7.152 -16.452 10.027 1.00 0.00 C ATOM 266 OE1 GLU A 22 -6.946 -16.935 11.160 1.00 0.00 O ATOM 267 OE2 GLU A 22 -6.926 -17.071 8.967 1.00 0.00 O ATOM 0 H GLU A 22 -8.101 -13.480 12.381 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.164 -12.850 9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.054 -15.426 11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.814 -15.405 9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.782 -14.755 8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.008 -14.352 10.407 1.00 0.00 H new ATOM 274 N GLY A 23 -11.633 -12.811 9.862 1.00 0.00 N ATOM 275 CA GLY A 23 -13.078 -12.679 9.836 1.00 0.00 C ATOM 276 C GLY A 23 -13.547 -11.340 10.371 1.00 0.00 C ATOM 277 O GLY A 23 -14.712 -10.974 10.215 1.00 0.00 O ATOM 0 H GLY A 23 -11.155 -12.446 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.433 -12.803 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.524 -13.479 10.427 1.00 0.00 H new ATOM 281 N LYS A 24 -12.639 -10.608 11.007 1.00 0.00 N ATOM 282 CA LYS A 24 -12.965 -9.302 11.568 1.00 0.00 C ATOM 283 C LYS A 24 -12.789 -8.203 10.526 1.00 0.00 C ATOM 284 O LYS A 24 -12.476 -8.477 9.368 1.00 0.00 O ATOM 285 CB LYS A 24 -12.082 -9.013 12.785 1.00 0.00 C ATOM 286 CG LYS A 24 -12.352 -9.930 13.964 1.00 0.00 C ATOM 287 CD LYS A 24 -13.616 -9.528 14.706 1.00 0.00 C ATOM 288 CE LYS A 24 -14.070 -10.617 15.666 1.00 0.00 C ATOM 289 NZ LYS A 24 -13.429 -10.479 17.003 1.00 0.00 N ATOM 0 H LYS A 24 -11.671 -10.897 11.147 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.009 -9.318 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.036 -9.107 12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.235 -7.980 13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.447 -10.957 13.613 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.504 -9.904 14.648 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.437 -8.606 15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.410 -9.320 13.988 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.154 -10.575 15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.830 -11.594 15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.764 -11.239 17.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.396 -10.544 16.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.679 -9.557 17.414 1.00 0.00 H new ATOM 303 N GLU A 25 -12.991 -6.958 10.946 1.00 0.00 N ATOM 304 CA GLU A 25 -12.854 -5.817 10.047 1.00 0.00 C ATOM 305 C GLU A 25 -11.881 -4.789 10.618 1.00 0.00 C ATOM 306 O GLU A 25 -11.851 -4.549 11.825 1.00 0.00 O ATOM 307 CB GLU A 25 -14.217 -5.166 9.803 1.00 0.00 C ATOM 308 CG GLU A 25 -14.975 -4.842 11.079 1.00 0.00 C ATOM 309 CD GLU A 25 -16.464 -4.675 10.848 1.00 0.00 C ATOM 310 OE1 GLU A 25 -17.184 -5.695 10.855 1.00 0.00 O ATOM 311 OE2 GLU A 25 -16.909 -3.523 10.659 1.00 0.00 O ATOM 0 H GLU A 25 -13.250 -6.714 11.902 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.458 -6.179 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.075 -4.248 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.824 -5.832 9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.811 -5.637 11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.574 -3.926 11.513 1.00 0.00 H new ATOM 318 N VAL A 26 -11.087 -4.185 9.740 1.00 0.00 N ATOM 319 CA VAL A 26 -10.113 -3.182 10.155 1.00 0.00 C ATOM 320 C VAL A 26 -10.332 -1.866 9.417 1.00 0.00 C ATOM 321 O VAL A 26 -10.308 -1.819 8.187 1.00 0.00 O ATOM 322 CB VAL A 26 -8.671 -3.664 9.906 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.680 -2.541 10.173 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.359 -4.878 10.768 1.00 0.00 C ATOM 0 H VAL A 26 -11.099 -4.372 8.737 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.256 -3.024 11.224 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.579 -3.957 8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.667 -2.899 9.992 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.892 -1.703 9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.770 -2.215 11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.337 -5.205 10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.467 -4.615 11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.049 -5.685 10.523 1.00 0.00 H new ATOM 334 N LEU A 27 -10.544 -0.797 10.177 1.00 0.00 N ATOM 335 CA LEU A 27 -10.767 0.522 9.597 1.00 0.00 C ATOM 336 C LEU A 27 -9.494 1.361 9.645 1.00 0.00 C ATOM 337 O LEU A 27 -9.073 1.808 10.713 1.00 0.00 O ATOM 338 CB LEU A 27 -11.895 1.244 10.337 1.00 0.00 C ATOM 339 CG LEU A 27 -12.036 2.739 10.052 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.939 2.970 8.850 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.577 3.466 11.274 1.00 0.00 C ATOM 0 H LEU A 27 -10.566 -0.818 11.197 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.053 0.388 8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.837 0.756 10.086 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.743 1.112 11.408 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.049 3.140 9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.028 4.040 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.511 2.482 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.926 2.554 9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.671 4.529 11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.555 3.062 11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.893 3.329 12.112 1.00 0.00 H new ATOM 353 N LEU A 28 -8.886 1.572 8.483 1.00 0.00 N ATOM 354 CA LEU A 28 -7.661 2.359 8.392 1.00 0.00 C ATOM 355 C LEU A 28 -7.976 3.849 8.307 1.00 0.00 C ATOM 356 O LEU A 28 -8.129 4.401 7.217 1.00 0.00 O ATOM 357 CB LEU A 28 -6.844 1.929 7.173 1.00 0.00 C ATOM 358 CG LEU A 28 -6.344 0.484 7.176 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.839 0.091 5.796 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.250 0.300 8.218 1.00 0.00 C ATOM 0 H LEU A 28 -9.221 1.209 7.591 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.076 2.181 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.452 2.080 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.982 2.590 7.087 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.178 -0.168 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.487 -0.940 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.649 0.183 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.019 0.748 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.906 -0.734 8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.415 0.963 7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.644 0.540 9.206 1.00 0.00 H new ATOM 372 N LEU A 29 -8.071 4.495 9.464 1.00 0.00 N ATOM 373 CA LEU A 29 -8.366 5.923 9.521 1.00 0.00 C ATOM 374 C LEU A 29 -7.205 6.741 8.964 1.00 0.00 C ATOM 375 O LEU A 29 -6.070 6.268 8.905 1.00 0.00 O ATOM 376 CB LEU A 29 -8.658 6.346 10.962 1.00 0.00 C ATOM 377 CG LEU A 29 -10.120 6.265 11.402 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.236 6.451 12.907 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.956 7.303 10.668 1.00 0.00 C ATOM 0 H LEU A 29 -7.948 4.053 10.375 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.247 6.112 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.063 5.723 11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.316 7.372 11.095 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.501 5.276 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.284 6.390 13.201 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.670 5.670 13.415 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.837 7.427 13.185 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.994 7.231 10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.575 8.300 10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.899 7.123 9.594 1.00 0.00 H new ATOM 391 N VAL A 30 -7.498 7.973 8.557 1.00 0.00 N ATOM 392 CA VAL A 30 -6.479 8.859 8.008 1.00 0.00 C ATOM 393 C VAL A 30 -6.519 10.226 8.680 1.00 0.00 C ATOM 394 O VAL A 30 -7.545 10.906 8.668 1.00 0.00 O ATOM 395 CB VAL A 30 -6.653 9.041 6.488 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.361 9.539 5.859 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.102 7.738 5.844 1.00 0.00 C ATOM 0 H VAL A 30 -8.433 8.379 8.597 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.514 8.390 8.202 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.425 9.790 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.503 9.662 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.087 10.497 6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.566 8.816 6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.220 7.885 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.354 6.966 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.054 7.428 6.275 1.00 0.00 H new ATOM 407 N HIS A 31 -5.394 10.625 9.267 1.00 0.00 N ATOM 408 CA HIS A 31 -5.300 11.913 9.944 1.00 0.00 C ATOM 409 C HIS A 31 -4.472 12.898 9.125 1.00 0.00 C ATOM 410 O HIS A 31 -3.911 12.542 8.090 1.00 0.00 O ATOM 411 CB HIS A 31 -4.681 11.739 11.332 1.00 0.00 C ATOM 412 CG HIS A 31 -5.158 10.515 12.051 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.484 10.284 12.346 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.475 9.450 12.533 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.598 9.130 12.980 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.393 8.604 13.106 1.00 0.00 N ATOM 0 H HIS A 31 -4.536 10.074 9.287 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.308 12.314 10.051 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.596 11.693 11.234 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.910 12.617 11.936 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.257 10.907 12.112 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.408 9.295 12.477 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.519 8.692 13.335 1.00 0.00 H new ATOM 425 N ASN A 32 -4.402 14.139 9.596 1.00 0.00 N ATOM 426 CA ASN A 32 -3.644 15.177 8.905 1.00 0.00 C ATOM 427 C ASN A 32 -4.014 15.227 7.426 1.00 0.00 C ATOM 428 O ASN A 32 -3.214 15.649 6.589 1.00 0.00 O ATOM 429 CB ASN A 32 -2.142 14.928 9.059 1.00 0.00 C ATOM 430 CG ASN A 32 -1.699 14.945 10.510 1.00 0.00 C ATOM 431 OD1 ASN A 32 -2.174 15.756 11.306 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.784 14.049 10.859 1.00 0.00 N ATOM 0 H ASN A 32 -4.860 14.450 10.452 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.895 16.137 9.356 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.889 13.965 8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.592 15.688 8.505 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.446 14.013 11.821 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.419 13.396 10.165 1.00 0.00 H new ATOM 439 N LEU A 33 -5.229 14.795 7.111 1.00 0.00 N ATOM 440 CA LEU A 33 -5.706 14.791 5.732 1.00 0.00 C ATOM 441 C LEU A 33 -5.494 16.153 5.079 1.00 0.00 C ATOM 442 O LEU A 33 -5.315 17.170 5.749 1.00 0.00 O ATOM 443 CB LEU A 33 -7.189 14.416 5.685 1.00 0.00 C ATOM 444 CG LEU A 33 -7.500 12.922 5.593 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.987 12.673 5.797 1.00 0.00 C ATOM 446 CD2 LEU A 33 -7.043 12.363 4.254 1.00 0.00 C ATOM 0 H LEU A 33 -5.903 14.443 7.791 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.132 14.049 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.672 14.813 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.642 14.915 4.828 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.954 12.408 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.190 11.604 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.285 13.036 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.553 13.200 5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.273 11.299 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.561 12.882 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.968 12.507 4.147 1.00 0.00 H new ATOM 458 N PRO A 34 -5.515 16.176 3.738 1.00 0.00 N ATOM 459 CA PRO A 34 -5.329 17.407 2.964 1.00 0.00 C ATOM 460 C PRO A 34 -6.513 18.360 3.097 1.00 0.00 C ATOM 461 O PRO A 34 -7.457 18.090 3.839 1.00 0.00 O ATOM 462 CB PRO A 34 -5.206 16.905 1.523 1.00 0.00 C ATOM 463 CG PRO A 34 -5.931 15.604 1.511 1.00 0.00 C ATOM 464 CD PRO A 34 -5.723 15.002 2.873 1.00 0.00 C ATOM 0 HA PRO A 34 -4.465 17.977 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.647 17.611 0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.162 16.779 1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.992 15.750 1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.544 14.948 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.587 14.418 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.862 14.333 2.889 1.00 0.00 H new ATOM 472 N GLN A 35 -6.455 19.473 2.373 1.00 0.00 N ATOM 473 CA GLN A 35 -7.523 20.465 2.411 1.00 0.00 C ATOM 474 C GLN A 35 -8.524 20.230 1.285 1.00 0.00 C ATOM 475 O GLN A 35 -9.726 20.109 1.525 1.00 0.00 O ATOM 476 CB GLN A 35 -6.941 21.876 2.306 1.00 0.00 C ATOM 477 CG GLN A 35 -6.173 22.123 1.018 1.00 0.00 C ATOM 478 CD GLN A 35 -5.415 23.435 1.033 1.00 0.00 C ATOM 479 OE1 GLN A 35 -5.987 24.499 0.793 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.119 23.367 1.316 1.00 0.00 N ATOM 0 H GLN A 35 -5.680 19.710 1.753 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.044 20.365 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.752 22.601 2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.278 22.051 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.472 21.305 0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.868 22.119 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.686 22.464 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.557 24.218 1.341 1.00 0.00 H new ATOM 489 N ASP A 36 -8.022 20.167 0.057 1.00 0.00 N ATOM 490 CA ASP A 36 -8.873 19.946 -1.107 1.00 0.00 C ATOM 491 C ASP A 36 -8.598 18.581 -1.729 1.00 0.00 C ATOM 492 O ASP A 36 -7.952 18.465 -2.771 1.00 0.00 O ATOM 493 CB ASP A 36 -8.651 21.048 -2.144 1.00 0.00 C ATOM 494 CG ASP A 36 -9.454 22.297 -1.843 1.00 0.00 C ATOM 495 OD1 ASP A 36 -9.042 23.066 -0.949 1.00 0.00 O ATOM 496 OD2 ASP A 36 -10.496 22.506 -2.500 1.00 0.00 O ATOM 0 H ASP A 36 -7.030 20.266 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.912 19.972 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.591 21.301 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.923 20.674 -3.131 1.00 0.00 H new ATOM 501 N PRO A 37 -9.099 17.521 -1.077 1.00 0.00 N ATOM 502 CA PRO A 37 -8.920 16.144 -1.548 1.00 0.00 C ATOM 503 C PRO A 37 -9.711 15.860 -2.821 1.00 0.00 C ATOM 504 O PRO A 37 -10.903 15.557 -2.766 1.00 0.00 O ATOM 505 CB PRO A 37 -9.451 15.300 -0.388 1.00 0.00 C ATOM 506 CG PRO A 37 -10.418 16.189 0.315 1.00 0.00 C ATOM 507 CD PRO A 37 -9.879 17.585 0.170 1.00 0.00 C ATOM 0 HA PRO A 37 -7.882 15.933 -1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.937 14.393 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.645 14.988 0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.413 16.107 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.509 15.913 1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.681 18.321 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.256 17.866 1.020 1.00 0.00 H new ATOM 515 N ARG A 38 -9.040 15.958 -3.964 1.00 0.00 N ATOM 516 CA ARG A 38 -9.682 15.711 -5.249 1.00 0.00 C ATOM 517 C ARG A 38 -10.216 14.284 -5.325 1.00 0.00 C ATOM 518 O ARG A 38 -11.180 14.008 -6.039 1.00 0.00 O ATOM 519 CB ARG A 38 -8.695 15.959 -6.392 1.00 0.00 C ATOM 520 CG ARG A 38 -9.366 16.279 -7.717 1.00 0.00 C ATOM 521 CD ARG A 38 -8.401 16.121 -8.882 1.00 0.00 C ATOM 522 NE ARG A 38 -8.298 14.732 -9.323 1.00 0.00 N ATOM 523 CZ ARG A 38 -7.859 14.373 -10.524 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.483 15.296 -11.400 1.00 0.00 N ATOM 525 NH2 ARG A 38 -7.794 13.089 -10.852 1.00 0.00 N ATOM 0 H ARG A 38 -8.053 16.207 -4.026 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.521 16.400 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.036 16.784 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.067 15.077 -6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.223 15.621 -7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.748 17.300 -7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.733 16.742 -9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.415 16.482 -8.588 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.579 13.998 -8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.531 16.284 -11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.146 15.017 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.081 12.376 -10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.457 12.815 -11.775 1.00 0.00 H new ATOM 539 N GLY A 39 -9.582 13.379 -4.585 1.00 0.00 N ATOM 540 CA GLY A 39 -10.007 11.992 -4.583 1.00 0.00 C ATOM 541 C GLY A 39 -9.021 11.084 -3.876 1.00 0.00 C ATOM 542 O GLY A 39 -7.859 11.446 -3.686 1.00 0.00 O ATOM 0 H GLY A 39 -8.781 13.582 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.980 11.914 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.135 11.653 -5.611 1.00 0.00 H new ATOM 546 N TYR A 40 -9.483 9.902 -3.484 1.00 0.00 N ATOM 547 CA TYR A 40 -8.634 8.941 -2.790 1.00 0.00 C ATOM 548 C TYR A 40 -8.291 7.763 -3.696 1.00 0.00 C ATOM 549 O TYR A 40 -9.058 7.410 -4.591 1.00 0.00 O ATOM 550 CB TYR A 40 -9.327 8.439 -1.522 1.00 0.00 C ATOM 551 CG TYR A 40 -9.893 9.546 -0.662 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.075 10.550 -0.160 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.247 9.588 -0.352 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.588 11.563 0.627 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.770 10.598 0.432 1.00 0.00 C ATOM 556 CZ TYR A 40 -10.936 11.583 0.920 1.00 0.00 C ATOM 557 OH TYR A 40 -11.451 12.591 1.702 1.00 0.00 O ATOM 0 H TYR A 40 -10.441 9.586 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.708 9.445 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.133 7.761 -1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.615 7.861 -0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.020 10.539 -0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.902 8.817 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.937 12.335 1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.825 10.617 0.662 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.390 12.400 1.905 1.00 0.00 H new ATOM 567 N ASN A 41 -7.131 7.159 -3.456 1.00 0.00 N ATOM 568 CA ASN A 41 -6.685 6.020 -4.250 1.00 0.00 C ATOM 569 C ASN A 41 -5.808 5.088 -3.419 1.00 0.00 C ATOM 570 O ASN A 41 -4.672 5.422 -3.084 1.00 0.00 O ATOM 571 CB ASN A 41 -5.913 6.501 -5.481 1.00 0.00 C ATOM 572 CG ASN A 41 -6.831 6.871 -6.630 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.251 6.011 -7.405 1.00 0.00 O ATOM 574 ND2 ASN A 41 -7.146 8.156 -6.746 1.00 0.00 N ATOM 0 H ASN A 41 -6.484 7.439 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.567 5.468 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.306 7.365 -5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.227 5.719 -5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.759 8.465 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.775 8.834 -6.081 1.00 0.00 H new ATOM 581 N TRP A 42 -6.344 3.918 -3.091 1.00 0.00 N ATOM 582 CA TRP A 42 -5.611 2.936 -2.300 1.00 0.00 C ATOM 583 C TRP A 42 -4.877 1.949 -3.201 1.00 0.00 C ATOM 584 O TRP A 42 -5.268 1.731 -4.347 1.00 0.00 O ATOM 585 CB TRP A 42 -6.565 2.185 -1.370 1.00 0.00 C ATOM 586 CG TRP A 42 -7.040 3.011 -0.213 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.098 3.874 -0.202 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.471 3.053 1.101 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.222 4.450 1.040 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.237 3.962 1.857 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.392 2.410 1.712 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.955 4.243 3.191 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.113 2.690 3.036 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.892 3.599 3.764 1.00 0.00 C ATOM 0 H TRP A 42 -7.283 3.626 -3.360 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.873 3.468 -1.699 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.428 1.846 -1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.064 1.294 -0.990 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.743 4.075 -1.045 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.932 5.131 1.309 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.787 1.707 1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.554 4.944 3.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.280 2.200 3.518 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.649 3.795 4.798 1.00 0.00 H new ATOM 605 N TYR A 43 -3.812 1.355 -2.675 1.00 0.00 N ATOM 606 CA TYR A 43 -3.022 0.392 -3.434 1.00 0.00 C ATOM 607 C TYR A 43 -2.541 -0.745 -2.537 1.00 0.00 C ATOM 608 O TYR A 43 -2.734 -0.718 -1.322 1.00 0.00 O ATOM 609 CB TYR A 43 -1.823 1.084 -4.085 1.00 0.00 C ATOM 610 CG TYR A 43 -2.209 2.157 -5.077 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.385 3.475 -4.672 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.399 1.854 -6.420 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.738 4.459 -5.575 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.751 2.832 -7.330 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.920 4.132 -6.903 1.00 0.00 C ATOM 616 OH TYR A 43 -3.272 5.109 -7.806 1.00 0.00 O ATOM 0 H TYR A 43 -3.476 1.523 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.658 -0.028 -4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.203 1.527 -3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.213 0.336 -4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.243 3.734 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.269 0.837 -6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.871 5.478 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.893 2.580 -8.370 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.360 4.713 -8.698 1.00 0.00 H new ATOM 626 N LYS A 44 -1.914 -1.745 -3.147 1.00 0.00 N ATOM 627 CA LYS A 44 -1.403 -2.893 -2.406 1.00 0.00 C ATOM 628 C LYS A 44 -0.025 -3.300 -2.918 1.00 0.00 C ATOM 629 O LYS A 44 0.122 -3.725 -4.063 1.00 0.00 O ATOM 630 CB LYS A 44 -2.371 -4.072 -2.522 1.00 0.00 C ATOM 631 CG LYS A 44 -2.277 -5.051 -1.364 1.00 0.00 C ATOM 632 CD LYS A 44 -3.147 -6.275 -1.597 1.00 0.00 C ATOM 633 CE LYS A 44 -2.582 -7.502 -0.897 1.00 0.00 C ATOM 634 NZ LYS A 44 -3.042 -8.766 -1.535 1.00 0.00 N ATOM 0 H LYS A 44 -1.747 -1.784 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.312 -2.607 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.390 -3.690 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.174 -4.603 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.240 -5.360 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.583 -4.556 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.156 -6.080 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.225 -6.469 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.493 -7.461 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.883 -7.493 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.635 -9.578 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.080 -8.817 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.733 -8.786 -2.528 1.00 0.00 H new ATOM 648 N GLY A 45 0.983 -3.170 -2.060 1.00 0.00 N ATOM 649 CA GLY A 45 2.335 -3.530 -2.444 1.00 0.00 C ATOM 650 C GLY A 45 3.339 -2.440 -2.124 1.00 0.00 C ATOM 651 O GLY A 45 4.437 -2.418 -2.677 1.00 0.00 O ATOM 0 H GLY A 45 0.887 -2.822 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.623 -4.447 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.362 -3.742 -3.513 1.00 0.00 H new ATOM 655 N GLU A 46 2.959 -1.532 -1.230 1.00 0.00 N ATOM 656 CA GLU A 46 3.834 -0.433 -0.840 1.00 0.00 C ATOM 657 C GLU A 46 4.301 0.351 -2.064 1.00 0.00 C ATOM 658 O GLU A 46 5.448 0.794 -2.131 1.00 0.00 O ATOM 659 CB GLU A 46 5.044 -0.963 -0.069 1.00 0.00 C ATOM 660 CG GLU A 46 4.818 -1.053 1.431 1.00 0.00 C ATOM 661 CD GLU A 46 6.098 -0.881 2.226 1.00 0.00 C ATOM 662 OE1 GLU A 46 7.141 -1.415 1.795 1.00 0.00 O ATOM 663 OE2 GLU A 46 6.056 -0.210 3.279 1.00 0.00 O ATOM 0 H GLU A 46 2.052 -1.536 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 46 3.267 0.237 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.302 -1.952 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.899 -0.315 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.102 -0.289 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.373 -2.019 1.670 1.00 0.00 H new ATOM 670 N THR A 47 3.404 0.517 -3.031 1.00 0.00 N ATOM 671 CA THR A 47 3.723 1.244 -4.253 1.00 0.00 C ATOM 672 C THR A 47 2.459 1.765 -4.929 1.00 0.00 C ATOM 673 O THR A 47 1.405 1.132 -4.868 1.00 0.00 O ATOM 674 CB THR A 47 4.496 0.359 -5.248 1.00 0.00 C ATOM 675 OG1 THR A 47 3.660 -0.709 -5.706 1.00 0.00 O ATOM 676 CG2 THR A 47 5.750 -0.213 -4.602 1.00 0.00 C ATOM 0 H THR A 47 2.450 0.157 -2.991 1.00 0.00 H new ATOM 0 HA THR A 47 4.351 2.087 -3.964 1.00 0.00 H new ATOM 0 HB THR A 47 4.792 0.977 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.159 -1.266 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.280 -0.835 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.398 0.602 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.471 -0.817 -3.738 1.00 0.00 H new ATOM 684 N VAL A 48 2.572 2.922 -5.573 1.00 0.00 N ATOM 685 CA VAL A 48 1.439 3.526 -6.263 1.00 0.00 C ATOM 686 C VAL A 48 1.295 2.971 -7.675 1.00 0.00 C ATOM 687 O VAL A 48 1.232 3.726 -8.646 1.00 0.00 O ATOM 688 CB VAL A 48 1.579 5.058 -6.337 1.00 0.00 C ATOM 689 CG1 VAL A 48 0.362 5.674 -7.010 1.00 0.00 C ATOM 690 CG2 VAL A 48 1.782 5.642 -4.947 1.00 0.00 C ATOM 0 H VAL A 48 3.437 3.460 -5.631 1.00 0.00 H new ATOM 0 HA VAL A 48 0.548 3.277 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 48 2.456 5.296 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.479 6.757 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.267 5.279 -8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.533 5.428 -6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.879 6.725 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.925 5.395 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.687 5.225 -4.506 1.00 0.00 H new ATOM 700 N ASP A 49 1.244 1.648 -7.783 1.00 0.00 N ATOM 701 CA ASP A 49 1.106 0.991 -9.077 1.00 0.00 C ATOM 702 C ASP A 49 -0.357 0.938 -9.507 1.00 0.00 C ATOM 703 O ASP A 49 -1.261 1.100 -8.688 1.00 0.00 O ATOM 704 CB ASP A 49 1.684 -0.423 -9.019 1.00 0.00 C ATOM 705 CG ASP A 49 0.865 -1.349 -8.141 1.00 0.00 C ATOM 706 OD1 ASP A 49 -0.369 -1.169 -8.080 1.00 0.00 O ATOM 707 OD2 ASP A 49 1.458 -2.252 -7.515 1.00 0.00 O ATOM 0 H ASP A 49 1.296 1.009 -6.989 1.00 0.00 H new ATOM 0 HA ASP A 49 1.661 1.573 -9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.734 -0.833 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.706 -0.379 -8.642 1.00 0.00 H new ATOM 712 N ALA A 50 -0.582 0.712 -10.797 1.00 0.00 N ATOM 713 CA ALA A 50 -1.935 0.637 -11.335 1.00 0.00 C ATOM 714 C ALA A 50 -2.397 -0.811 -11.459 1.00 0.00 C ATOM 715 O ALA A 50 -3.591 -1.083 -11.575 1.00 0.00 O ATOM 716 CB ALA A 50 -2.004 1.333 -12.686 1.00 0.00 C ATOM 0 H ALA A 50 0.155 0.578 -11.489 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.605 1.146 -10.642 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.020 1.270 -13.076 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.724 2.380 -12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.317 0.849 -13.380 1.00 0.00 H new ATOM 722 N ASN A 51 -1.443 -1.736 -11.434 1.00 0.00 N ATOM 723 CA ASN A 51 -1.753 -3.157 -11.545 1.00 0.00 C ATOM 724 C ASN A 51 -2.236 -3.714 -10.209 1.00 0.00 C ATOM 725 O ASN A 51 -3.065 -4.623 -10.168 1.00 0.00 O ATOM 726 CB ASN A 51 -0.523 -3.933 -12.019 1.00 0.00 C ATOM 727 CG ASN A 51 -0.250 -3.738 -13.498 1.00 0.00 C ATOM 728 OD1 ASN A 51 -1.071 -4.094 -14.343 1.00 0.00 O ATOM 729 ND2 ASN A 51 0.907 -3.170 -13.816 1.00 0.00 N ATOM 0 H ASN A 51 -0.449 -1.527 -11.338 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.552 -3.273 -12.277 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.348 -3.613 -11.447 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.666 -4.994 -11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.146 -3.013 -14.795 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.557 -2.891 -13.081 1.00 0.00 H new ATOM 736 N ARG A 52 -1.713 -3.161 -9.120 1.00 0.00 N ATOM 737 CA ARG A 52 -2.091 -3.603 -7.783 1.00 0.00 C ATOM 738 C ARG A 52 -3.034 -2.601 -7.125 1.00 0.00 C ATOM 739 O ARG A 52 -3.193 -2.591 -5.904 1.00 0.00 O ATOM 740 CB ARG A 52 -0.845 -3.793 -6.914 1.00 0.00 C ATOM 741 CG ARG A 52 0.270 -4.558 -7.608 1.00 0.00 C ATOM 742 CD ARG A 52 -0.049 -6.042 -7.705 1.00 0.00 C ATOM 743 NE ARG A 52 1.085 -6.814 -8.206 1.00 0.00 N ATOM 744 CZ ARG A 52 0.985 -8.061 -8.652 1.00 0.00 C ATOM 745 NH1 ARG A 52 -0.191 -8.674 -8.660 1.00 0.00 N ATOM 746 NH2 ARG A 52 2.062 -8.698 -9.092 1.00 0.00 N ATOM 0 H ARG A 52 -1.027 -2.407 -9.137 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.610 -4.557 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.470 -2.815 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.125 -4.322 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.424 -4.152 -8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.203 -4.420 -7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.336 -6.416 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.905 -6.186 -8.364 1.00 0.00 H new ATOM 0 HE ARG A 52 2.004 -6.371 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.022 -8.188 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.265 -9.632 -9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.968 -8.230 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.984 -9.656 -9.434 1.00 0.00 H new ATOM 760 N ARG A 53 -3.657 -1.758 -7.942 1.00 0.00 N ATOM 761 CA ARG A 53 -4.583 -0.750 -7.440 1.00 0.00 C ATOM 762 C ARG A 53 -5.847 -1.401 -6.887 1.00 0.00 C ATOM 763 O ARG A 53 -6.608 -2.029 -7.624 1.00 0.00 O ATOM 764 CB ARG A 53 -4.949 0.236 -8.551 1.00 0.00 C ATOM 765 CG ARG A 53 -6.005 1.249 -8.142 1.00 0.00 C ATOM 766 CD ARG A 53 -5.830 2.566 -8.882 1.00 0.00 C ATOM 767 NE ARG A 53 -7.098 3.269 -9.058 1.00 0.00 N ATOM 768 CZ ARG A 53 -7.936 3.032 -10.061 1.00 0.00 C ATOM 769 NH1 ARG A 53 -7.642 2.116 -10.973 1.00 0.00 N ATOM 770 NH2 ARG A 53 -9.072 3.713 -10.152 1.00 0.00 N ATOM 0 H ARG A 53 -3.537 -1.753 -8.955 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.089 -0.210 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.050 0.767 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.308 -0.321 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.997 0.845 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.947 1.424 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.137 3.202 -8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.382 2.377 -9.858 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.354 3.981 -8.374 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.770 1.591 -10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.288 1.936 -11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.301 4.418 -9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.715 3.531 -10.922 1.00 0.00 H new ATOM 784 N ILE A 54 -6.064 -1.248 -5.585 1.00 0.00 N ATOM 785 CA ILE A 54 -7.235 -1.820 -4.933 1.00 0.00 C ATOM 786 C ILE A 54 -8.514 -1.133 -5.399 1.00 0.00 C ATOM 787 O ILE A 54 -9.379 -1.759 -6.013 1.00 0.00 O ATOM 788 CB ILE A 54 -7.137 -1.711 -3.400 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.862 -2.394 -2.900 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.365 -2.325 -2.745 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.389 -1.880 -1.558 1.00 0.00 C ATOM 0 H ILE A 54 -5.444 -0.732 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.268 -2.873 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.094 -0.657 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.039 -3.467 -2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.070 -2.250 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.280 -2.240 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.258 -1.799 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.437 -3.377 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.482 -2.408 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.180 -0.813 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.164 -2.048 -0.810 1.00 0.00 H new ATOM 803 N ILE A 55 -8.627 0.158 -5.105 1.00 0.00 N ATOM 804 CA ILE A 55 -9.799 0.931 -5.497 1.00 0.00 C ATOM 805 C ILE A 55 -9.513 2.428 -5.442 1.00 0.00 C ATOM 806 O ILE A 55 -8.768 2.898 -4.583 1.00 0.00 O ATOM 807 CB ILE A 55 -11.007 0.618 -4.595 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.283 1.219 -5.187 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.769 1.146 -3.188 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.545 0.509 -4.750 1.00 0.00 C ATOM 0 H ILE A 55 -7.921 0.691 -4.597 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.037 0.646 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.129 -0.464 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.348 2.268 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.218 1.190 -6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.632 0.917 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.881 0.674 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.624 2.226 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.410 0.989 -5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.502 -0.535 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.634 0.560 -3.665 1.00 0.00 H new ATOM 822 N GLY A 56 -10.112 3.173 -6.366 1.00 0.00 N ATOM 823 CA GLY A 56 -9.911 4.610 -6.405 1.00 0.00 C ATOM 824 C GLY A 56 -11.218 5.377 -6.465 1.00 0.00 C ATOM 825 O GLY A 56 -12.043 5.143 -7.348 1.00 0.00 O ATOM 0 H GLY A 56 -10.733 2.807 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.352 4.920 -5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.303 4.865 -7.273 1.00 0.00 H new ATOM 829 N TYR A 57 -11.407 6.294 -5.522 1.00 0.00 N ATOM 830 CA TYR A 57 -12.625 7.095 -5.469 1.00 0.00 C ATOM 831 C TYR A 57 -12.318 8.569 -5.713 1.00 0.00 C ATOM 832 O TYR A 57 -11.271 9.073 -5.305 1.00 0.00 O ATOM 833 CB TYR A 57 -13.314 6.923 -4.115 1.00 0.00 C ATOM 834 CG TYR A 57 -14.318 8.010 -3.804 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.582 8.001 -4.382 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.003 9.046 -2.934 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.502 8.993 -4.102 1.00 0.00 C ATOM 838 CE2 TYR A 57 -14.918 10.041 -2.647 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.166 10.010 -3.234 1.00 0.00 C ATOM 840 OH TYR A 57 -17.079 11.000 -2.951 1.00 0.00 O ATOM 0 H TYR A 57 -10.733 6.501 -4.785 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.294 6.747 -6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.819 5.957 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.557 6.904 -3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.849 7.205 -5.061 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.026 9.074 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.479 8.972 -4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.658 10.838 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.684 11.639 -2.321 1.00 0.00 H new ATOM 850 N VAL A 58 -13.239 9.256 -6.380 1.00 0.00 N ATOM 851 CA VAL A 58 -13.070 10.673 -6.678 1.00 0.00 C ATOM 852 C VAL A 58 -14.209 11.498 -6.089 1.00 0.00 C ATOM 853 O VAL A 58 -15.368 11.335 -6.470 1.00 0.00 O ATOM 854 CB VAL A 58 -13.001 10.924 -8.196 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.686 12.384 -8.482 1.00 0.00 C ATOM 856 CG2 VAL A 58 -11.969 10.011 -8.840 1.00 0.00 C ATOM 0 H VAL A 58 -14.111 8.854 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.128 10.981 -6.224 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.975 10.696 -8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.641 12.542 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.465 13.015 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.725 12.643 -8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.933 10.202 -9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.989 10.205 -8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.244 8.971 -8.665 1.00 0.00 H new ATOM 866 N ILE A 59 -13.870 12.385 -5.159 1.00 0.00 N ATOM 867 CA ILE A 59 -14.865 13.237 -4.518 1.00 0.00 C ATOM 868 C ILE A 59 -15.494 14.197 -5.522 1.00 0.00 C ATOM 869 O ILE A 59 -16.681 14.511 -5.435 1.00 0.00 O ATOM 870 CB ILE A 59 -14.250 14.050 -3.364 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.706 13.112 -2.284 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.282 15.000 -2.776 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.522 13.679 -1.531 1.00 0.00 C ATOM 0 H ILE A 59 -12.915 12.532 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.635 12.578 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.423 14.641 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.503 12.886 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.414 12.169 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.832 15.567 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.627 15.687 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.128 14.428 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.189 12.961 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.709 13.879 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -12.814 14.607 -1.039 1.00 0.00 H new ATOM 885 N SER A 60 -14.692 14.658 -6.475 1.00 0.00 N ATOM 886 CA SER A 60 -15.169 15.584 -7.495 1.00 0.00 C ATOM 887 C SER A 60 -16.611 15.268 -7.883 1.00 0.00 C ATOM 888 O SER A 60 -17.515 16.073 -7.663 1.00 0.00 O ATOM 889 CB SER A 60 -14.271 15.521 -8.732 1.00 0.00 C ATOM 890 OG SER A 60 -14.446 16.667 -9.548 1.00 0.00 O ATOM 0 H SER A 60 -13.708 14.405 -6.562 1.00 0.00 H new ATOM 0 HA SER A 60 -15.134 16.592 -7.081 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.228 15.445 -8.425 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.500 14.623 -9.306 1.00 0.00 H new ATOM 0 HG SER A 60 -13.860 16.604 -10.331 1.00 0.00 H new ATOM 896 N ASN A 61 -16.817 14.090 -8.462 1.00 0.00 N ATOM 897 CA ASN A 61 -18.148 13.667 -8.882 1.00 0.00 C ATOM 898 C ASN A 61 -18.498 12.306 -8.288 1.00 0.00 C ATOM 899 O ASN A 61 -19.376 11.606 -8.792 1.00 0.00 O ATOM 900 CB ASN A 61 -18.229 13.605 -10.409 1.00 0.00 C ATOM 901 CG ASN A 61 -17.056 12.863 -11.020 1.00 0.00 C ATOM 902 OD1 ASN A 61 -15.901 13.114 -10.677 1.00 0.00 O ATOM 903 ND2 ASN A 61 -17.350 11.943 -11.932 1.00 0.00 N ATOM 0 H ASN A 61 -16.079 13.411 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.867 14.400 -8.516 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -19.158 13.115 -10.701 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -18.263 14.618 -10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.603 11.411 -12.379 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.323 11.768 -12.185 1.00 0.00 H new ATOM 910 N GLN A 62 -17.807 11.939 -7.214 1.00 0.00 N ATOM 911 CA GLN A 62 -18.046 10.662 -6.551 1.00 0.00 C ATOM 912 C GLN A 62 -17.892 9.504 -7.531 1.00 0.00 C ATOM 913 O GLN A 62 -18.772 8.649 -7.638 1.00 0.00 O ATOM 914 CB GLN A 62 -19.443 10.639 -5.930 1.00 0.00 C ATOM 915 CG GLN A 62 -19.691 11.772 -4.947 1.00 0.00 C ATOM 916 CD GLN A 62 -21.055 11.687 -4.291 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.904 10.893 -4.697 1.00 0.00 O ATOM 918 NE2 GLN A 62 -21.273 12.508 -3.270 1.00 0.00 N ATOM 0 H GLN A 62 -17.077 12.507 -6.784 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.304 10.546 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.186 10.690 -6.726 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.589 9.687 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.920 11.755 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.601 12.726 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.541 13.150 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.173 12.496 -2.789 1.00 0.00 H new ATOM 927 N GLN A 63 -16.771 9.483 -8.244 1.00 0.00 N ATOM 928 CA GLN A 63 -16.504 8.429 -9.216 1.00 0.00 C ATOM 929 C GLN A 63 -15.684 7.306 -8.590 1.00 0.00 C ATOM 930 O GLN A 63 -14.556 7.522 -8.145 1.00 0.00 O ATOM 931 CB GLN A 63 -15.767 9.000 -10.429 1.00 0.00 C ATOM 932 CG GLN A 63 -15.256 7.935 -11.387 1.00 0.00 C ATOM 933 CD GLN A 63 -14.083 8.414 -12.220 1.00 0.00 C ATOM 934 OE1 GLN A 63 -14.032 9.574 -12.631 1.00 0.00 O ATOM 935 NE2 GLN A 63 -13.133 7.522 -12.472 1.00 0.00 N ATOM 0 H GLN A 63 -16.033 10.183 -8.167 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.460 8.018 -9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.436 9.671 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.925 9.600 -10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.958 7.054 -10.819 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.066 7.628 -12.049 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.217 6.572 -12.111 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.319 7.787 -13.027 1.00 0.00 H new ATOM 944 N ILE A 64 -16.257 6.108 -8.560 1.00 0.00 N ATOM 945 CA ILE A 64 -15.579 4.951 -7.989 1.00 0.00 C ATOM 946 C ILE A 64 -15.136 3.980 -9.078 1.00 0.00 C ATOM 947 O ILE A 64 -15.933 3.574 -9.925 1.00 0.00 O ATOM 948 CB ILE A 64 -16.482 4.206 -6.988 1.00 0.00 C ATOM 949 CG1 ILE A 64 -16.753 5.081 -5.763 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.840 2.889 -6.574 1.00 0.00 C ATOM 951 CD1 ILE A 64 -17.785 4.499 -4.822 1.00 0.00 C ATOM 0 H ILE A 64 -17.189 5.913 -8.925 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.702 5.328 -7.463 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.434 3.988 -7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.820 5.230 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.089 6.063 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.490 2.374 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.694 2.263 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.876 3.086 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.927 5.172 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.730 4.376 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.442 3.529 -4.461 1.00 0.00 H new ATOM 963 N THR A 65 -13.860 3.609 -9.050 1.00 0.00 N ATOM 964 CA THR A 65 -13.311 2.685 -10.035 1.00 0.00 C ATOM 965 C THR A 65 -12.443 1.624 -9.368 1.00 0.00 C ATOM 966 O THR A 65 -11.263 1.839 -9.087 1.00 0.00 O ATOM 967 CB THR A 65 -12.473 3.426 -11.094 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.207 4.545 -11.604 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.100 2.494 -12.237 1.00 0.00 C ATOM 0 H THR A 65 -13.187 3.934 -8.356 1.00 0.00 H new ATOM 0 HA THR A 65 -14.158 2.204 -10.524 1.00 0.00 H new ATOM 0 HB THR A 65 -11.557 3.779 -10.620 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.063 4.618 -12.571 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.509 3.039 -12.973 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.517 1.658 -11.850 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.007 2.116 -12.709 1.00 0.00 H new ATOM 977 N PRO A 66 -13.037 0.450 -9.109 1.00 0.00 N ATOM 978 CA PRO A 66 -12.336 -0.669 -8.473 1.00 0.00 C ATOM 979 C PRO A 66 -11.287 -1.291 -9.389 1.00 0.00 C ATOM 980 O PRO A 66 -11.518 -1.466 -10.584 1.00 0.00 O ATOM 981 CB PRO A 66 -13.455 -1.672 -8.184 1.00 0.00 C ATOM 982 CG PRO A 66 -14.511 -1.360 -9.188 1.00 0.00 C ATOM 983 CD PRO A 66 -14.440 0.124 -9.416 1.00 0.00 C ATOM 0 HA PRO A 66 -11.788 -0.354 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.103 -2.698 -8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.831 -1.563 -7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.341 -1.906 -10.116 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.495 -1.652 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.698 0.386 -10.442 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.129 0.664 -8.767 1.00 0.00 H new ATOM 991 N GLY A 67 -10.132 -1.624 -8.819 1.00 0.00 N ATOM 992 CA GLY A 67 -9.066 -2.223 -9.599 1.00 0.00 C ATOM 993 C GLY A 67 -9.090 -3.738 -9.547 1.00 0.00 C ATOM 994 O GLY A 67 -10.008 -4.347 -8.998 1.00 0.00 O ATOM 0 H GLY A 67 -9.917 -1.489 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.151 -1.897 -10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.105 -1.865 -9.230 1.00 0.00 H new ATOM 998 N PRO A 68 -8.062 -4.370 -10.132 1.00 0.00 N ATOM 999 CA PRO A 68 -7.946 -5.831 -10.165 1.00 0.00 C ATOM 1000 C PRO A 68 -7.654 -6.421 -8.789 1.00 0.00 C ATOM 1001 O PRO A 68 -7.969 -7.579 -8.520 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.768 -6.073 -11.111 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.954 -4.828 -11.028 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.932 -3.708 -10.805 1.00 0.00 C ATOM 0 HA PRO A 68 -8.873 -6.306 -10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.189 -6.945 -10.808 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.109 -6.256 -12.130 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.234 -4.886 -10.211 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.385 -4.672 -11.944 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.504 -2.918 -10.188 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.238 -3.248 -11.745 1.00 0.00 H new ATOM 1012 N ALA A 69 -7.051 -5.615 -7.921 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.718 -6.056 -6.572 1.00 0.00 C ATOM 1014 C ALA A 69 -7.879 -5.813 -5.614 1.00 0.00 C ATOM 1015 O ALA A 69 -7.676 -5.611 -4.416 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.466 -5.348 -6.078 1.00 0.00 C ATOM 0 H ALA A 69 -6.783 -4.653 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.525 -7.128 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.230 -5.688 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.633 -5.577 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.637 -4.272 -6.068 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.095 -5.834 -6.148 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.289 -5.612 -5.339 1.00 0.00 C ATOM 1024 C TYR A 70 -11.072 -6.909 -5.158 1.00 0.00 C ATOM 1025 O TYR A 70 -11.358 -7.615 -6.125 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.179 -4.551 -5.988 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.328 -4.106 -5.111 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.135 -3.845 -3.760 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.605 -3.945 -5.633 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.181 -3.439 -2.954 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.657 -3.538 -4.836 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.440 -3.287 -3.497 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.485 -2.881 -2.698 1.00 0.00 O ATOM 0 H TYR A 70 -9.281 -6.002 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.973 -5.260 -4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.570 -3.684 -6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.578 -4.945 -6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.150 -3.962 -3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.778 -4.142 -6.681 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.014 -3.242 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.644 -3.417 -5.259 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.134 -2.405 -1.917 1.00 0.00 H new ATOM 1043 N SER A 71 -11.417 -7.214 -3.911 1.00 0.00 N ATOM 1044 CA SER A 71 -12.165 -8.427 -3.601 1.00 0.00 C ATOM 1045 C SER A 71 -13.536 -8.087 -3.024 1.00 0.00 C ATOM 1046 O SER A 71 -14.099 -8.851 -2.241 1.00 0.00 O ATOM 1047 CB SER A 71 -11.384 -9.294 -2.612 1.00 0.00 C ATOM 1048 OG SER A 71 -11.954 -10.587 -2.506 1.00 0.00 O ATOM 0 H SER A 71 -11.191 -6.639 -3.100 1.00 0.00 H new ATOM 0 HA SER A 71 -12.308 -8.983 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.347 -9.376 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.375 -8.816 -1.633 1.00 0.00 H new ATOM 0 HG SER A 71 -12.930 -10.512 -2.467 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.068 -6.934 -3.418 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.372 -6.491 -2.940 1.00 0.00 C ATOM 1056 C ASN A 72 -15.456 -6.587 -1.420 1.00 0.00 C ATOM 1057 O ASN A 72 -16.530 -6.812 -0.860 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.483 -7.328 -3.577 1.00 0.00 C ATOM 1059 CG ASN A 72 -16.496 -8.756 -3.066 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -15.936 -9.670 -3.850 1.00 0.00 O flip ATOM 1061 ND2 ASN A 72 -17.004 -9.033 -1.979 1.00 0.00 N flip ATOM 0 H ASN A 72 -13.616 -6.290 -4.067 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.501 -5.448 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.447 -6.863 -3.372 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.355 -7.333 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.423 -8.298 -1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.006 -9.998 -1.648 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.317 -6.414 -0.758 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.262 -6.481 0.697 1.00 0.00 C ATOM 1070 C ARG A 73 -13.872 -5.130 1.290 1.00 0.00 C ATOM 1071 O ARG A 73 -14.332 -4.759 2.369 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.263 -7.552 1.142 1.00 0.00 C ATOM 1073 CG ARG A 73 -13.756 -8.972 0.922 1.00 0.00 C ATOM 1074 CD ARG A 73 -12.950 -9.973 1.736 1.00 0.00 C ATOM 1075 NE ARG A 73 -11.563 -10.052 1.288 1.00 0.00 N ATOM 1076 CZ ARG A 73 -10.556 -10.418 2.074 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -10.782 -10.736 3.341 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.320 -10.465 1.592 1.00 0.00 N ATOM 0 H ARG A 73 -13.420 -6.226 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.255 -6.745 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.328 -7.413 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.041 -7.413 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.808 -9.040 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.687 -9.223 -0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.975 -9.689 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.412 -10.957 1.660 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.355 -9.813 0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.730 -10.700 3.714 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.007 -11.017 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.143 -10.220 0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.547 -10.746 2.196 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.022 -4.399 0.575 1.00 0.00 N ATOM 1093 CA GLU A 74 -12.570 -3.090 1.032 1.00 0.00 C ATOM 1094 C GLU A 74 -13.556 -2.000 0.621 1.00 0.00 C ATOM 1095 O GLU A 74 -14.188 -2.083 -0.433 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.183 -2.778 0.466 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.098 -3.720 0.960 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.141 -5.071 0.274 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -9.890 -5.123 -0.948 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -10.425 -6.076 0.958 1.00 0.00 O ATOM 0 H GLU A 74 -12.633 -4.691 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.513 -3.113 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.225 -2.825 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.913 -1.756 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.122 -3.263 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.205 -3.859 2.036 1.00 0.00 H new ATOM 1107 N THR A 75 -13.683 -0.978 1.461 1.00 0.00 N ATOM 1108 CA THR A 75 -14.593 0.128 1.187 1.00 0.00 C ATOM 1109 C THR A 75 -13.955 1.465 1.543 1.00 0.00 C ATOM 1110 O THR A 75 -13.517 1.673 2.676 1.00 0.00 O ATOM 1111 CB THR A 75 -15.912 -0.023 1.968 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.598 -1.208 1.546 1.00 0.00 O ATOM 1113 CG2 THR A 75 -16.807 1.189 1.758 1.00 0.00 C ATOM 0 H THR A 75 -13.167 -0.893 2.337 1.00 0.00 H new ATOM 0 HA THR A 75 -14.808 0.104 0.119 1.00 0.00 H new ATOM 0 HB THR A 75 -15.674 -0.099 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.435 -1.298 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.732 1.060 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.294 2.085 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.037 1.292 0.698 1.00 0.00 H new ATOM 1121 N ILE A 76 -13.906 2.370 0.571 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.323 3.689 0.784 1.00 0.00 C ATOM 1123 C ILE A 76 -14.195 4.533 1.708 1.00 0.00 C ATOM 1124 O ILE A 76 -15.330 4.167 2.012 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.128 4.440 -0.546 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.901 3.447 -1.688 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.961 5.410 -0.441 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.171 3.057 -2.411 1.00 0.00 C ATOM 0 H ILE A 76 -14.263 2.214 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.350 3.532 1.249 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.031 5.011 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.204 3.882 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.429 2.549 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.836 5.933 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.160 6.134 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.050 4.859 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.934 2.351 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.862 2.592 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.633 3.946 -2.840 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.656 5.663 2.151 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.385 6.560 3.040 1.00 0.00 C ATOM 1142 C TYR A 77 -14.191 8.015 2.626 1.00 0.00 C ATOM 1143 O TYR A 77 -13.258 8.362 1.901 1.00 0.00 O ATOM 1144 CB TYR A 77 -13.923 6.364 4.485 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.683 5.286 5.224 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.598 3.955 4.832 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.487 5.597 6.314 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.292 2.967 5.503 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.183 4.616 6.992 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.083 3.302 6.582 1.00 0.00 C ATOM 1151 OH TYR A 77 -16.774 2.321 7.254 1.00 0.00 O ATOM 0 H TYR A 77 -12.717 5.980 1.909 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.446 6.319 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -12.862 6.115 4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.031 7.306 5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.979 3.689 3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.569 6.624 6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.216 1.938 5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.802 4.875 7.838 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.282 2.724 7.989 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.094 8.888 3.096 1.00 0.00 N ATOM 1162 CA PRO A 78 -15.045 10.321 2.789 1.00 0.00 C ATOM 1163 C PRO A 78 -13.871 11.019 3.467 1.00 0.00 C ATOM 1164 O PRO A 78 -13.710 12.233 3.355 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.371 10.848 3.341 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.744 9.885 4.415 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.232 8.545 3.965 1.00 0.00 C ATOM 0 HA PRO A 78 -14.908 10.505 1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.262 11.858 3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.134 10.890 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.300 10.172 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.824 9.861 4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.921 7.929 4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.995 7.984 3.425 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.053 10.243 4.171 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.893 10.788 4.867 1.00 0.00 C ATOM 1177 C ASN A 79 -10.607 10.123 4.385 1.00 0.00 C ATOM 1178 O ASN A 79 -9.576 10.185 5.053 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.043 10.597 6.378 1.00 0.00 C ATOM 1180 CG ASN A 79 -12.739 11.770 7.042 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -12.939 12.817 6.426 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -13.110 11.599 8.305 1.00 0.00 N ATOM 0 H ASN A 79 -13.172 9.235 4.275 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.835 11.854 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.608 9.685 6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.058 10.462 6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.582 12.353 8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.924 10.714 8.776 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.677 9.488 3.219 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.518 8.814 2.646 1.00 0.00 C ATOM 1191 C ALA A 80 -9.179 7.547 3.424 1.00 0.00 C ATOM 1192 O ALA A 80 -8.035 7.093 3.421 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.322 9.754 2.616 1.00 0.00 C ATOM 0 H ALA A 80 -11.524 9.426 2.653 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.765 8.526 1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.464 9.237 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.561 10.628 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.083 10.071 3.631 1.00 0.00 H new ATOM 1199 N SER A 81 -10.180 6.982 4.091 1.00 0.00 N ATOM 1200 CA SER A 81 -9.987 5.770 4.879 1.00 0.00 C ATOM 1201 C SER A 81 -10.536 4.551 4.143 1.00 0.00 C ATOM 1202 O SER A 81 -11.445 4.666 3.320 1.00 0.00 O ATOM 1203 CB SER A 81 -10.667 5.907 6.242 1.00 0.00 C ATOM 1204 OG SER A 81 -10.307 7.125 6.871 1.00 0.00 O ATOM 0 H SER A 81 -11.133 7.344 4.102 1.00 0.00 H new ATOM 0 HA SER A 81 -8.916 5.631 5.029 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.749 5.864 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.385 5.068 6.878 1.00 0.00 H new ATOM 0 HG SER A 81 -11.044 7.429 7.442 1.00 0.00 H new ATOM 1210 N LEU A 82 -9.979 3.384 4.447 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.412 2.143 3.815 1.00 0.00 C ATOM 1212 C LEU A 82 -10.745 1.086 4.864 1.00 0.00 C ATOM 1213 O LEU A 82 -9.910 0.743 5.702 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.325 1.619 2.875 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.695 0.395 2.037 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.328 0.821 0.721 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.469 -0.470 1.785 1.00 0.00 C ATOM 0 H LEU A 82 -9.227 3.271 5.127 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.312 2.353 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.039 2.424 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.445 1.374 3.470 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.423 -0.195 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.585 -0.063 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.231 1.398 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.623 1.434 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.752 -1.336 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.718 0.111 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.058 -0.805 2.737 1.00 0.00 H new ATOM 1229 N LEU A 83 -11.969 0.572 4.811 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.412 -0.448 5.755 1.00 0.00 C ATOM 1231 C LEU A 83 -12.253 -1.844 5.162 1.00 0.00 C ATOM 1232 O LEU A 83 -12.884 -2.180 4.161 1.00 0.00 O ATOM 1233 CB LEU A 83 -13.872 -0.210 6.144 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.571 -1.364 6.864 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.276 -1.319 8.356 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.071 -1.318 6.615 1.00 0.00 C ATOM 0 H LEU A 83 -12.672 0.845 4.124 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.789 -0.379 6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.918 0.672 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.435 0.022 5.240 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.185 -2.302 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.782 -2.148 8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.201 -1.401 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.634 -0.376 8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.552 -2.147 7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.473 -0.375 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.265 -1.399 5.545 1.00 0.00 H new ATOM 1248 N MET A 84 -11.405 -2.654 5.789 1.00 0.00 N ATOM 1249 CA MET A 84 -11.166 -4.015 5.325 1.00 0.00 C ATOM 1250 C MET A 84 -11.966 -5.019 6.149 1.00 0.00 C ATOM 1251 O MET A 84 -11.630 -5.301 7.299 1.00 0.00 O ATOM 1252 CB MET A 84 -9.674 -4.349 5.404 1.00 0.00 C ATOM 1253 CG MET A 84 -9.213 -5.326 4.335 1.00 0.00 C ATOM 1254 SD MET A 84 -7.490 -5.078 3.864 1.00 0.00 S ATOM 1255 CE MET A 84 -7.536 -3.382 3.292 1.00 0.00 C ATOM 0 H MET A 84 -10.873 -2.391 6.619 1.00 0.00 H new ATOM 0 HA MET A 84 -11.492 -4.080 4.287 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.099 -3.428 5.315 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.455 -4.768 6.386 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.343 -6.345 4.699 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.846 -5.219 3.454 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.095 -3.321 2.297 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.570 -3.040 3.252 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.971 -2.751 3.978 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.027 -5.555 5.553 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.876 -6.526 6.232 1.00 0.00 C ATOM 1267 C ARG A 85 -13.411 -7.950 5.944 1.00 0.00 C ATOM 1268 O ARG A 85 -12.759 -8.208 4.933 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.332 -6.355 5.796 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.021 -5.157 6.428 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.317 -4.816 5.709 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.159 -3.918 6.495 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.254 -3.335 6.021 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -19.638 -3.555 4.771 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.968 -2.530 6.798 1.00 0.00 N ATOM 0 H ARG A 85 -13.319 -5.333 4.601 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.802 -6.348 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.368 -6.253 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.887 -7.258 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.230 -5.368 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.352 -4.296 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.088 -4.351 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.866 -5.733 5.496 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.891 -3.728 7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -19.092 -4.173 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.479 -3.106 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.676 -2.359 7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.809 -2.083 6.433 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.750 -8.870 6.841 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.366 -10.269 6.684 1.00 0.00 C ATOM 1291 C ASN A 86 -11.857 -10.402 6.504 1.00 0.00 C ATOM 1292 O ASN A 86 -11.385 -11.217 5.712 1.00 0.00 O ATOM 1293 CB ASN A 86 -14.091 -10.886 5.486 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.534 -11.233 5.799 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -15.869 -12.395 6.030 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.396 -10.223 5.806 1.00 0.00 N ATOM 0 H ASN A 86 -14.290 -8.673 7.684 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.654 -10.803 7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.061 -10.189 4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.564 -11.786 5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.381 -10.394 6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.073 -9.276 5.609 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.105 -9.595 7.246 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.649 -9.623 7.170 1.00 0.00 C ATOM 1305 C VAL A 87 -9.116 -11.037 7.370 1.00 0.00 C ATOM 1306 O VAL A 87 -9.734 -11.856 8.052 1.00 0.00 O ATOM 1307 CB VAL A 87 -9.014 -8.693 8.221 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.583 -7.288 8.104 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.228 -9.249 9.621 1.00 0.00 C ATOM 0 H VAL A 87 -11.480 -8.914 7.906 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.377 -9.273 6.174 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.941 -8.641 8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.123 -6.645 8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.374 -6.892 7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.661 -7.318 8.264 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.773 -8.580 10.352 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.296 -9.332 9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.768 -10.234 9.695 1.00 0.00 H new ATOM 1319 N THR A 88 -7.963 -11.320 6.771 1.00 0.00 N ATOM 1320 CA THR A 88 -7.346 -12.635 6.882 1.00 0.00 C ATOM 1321 C THR A 88 -5.887 -12.524 7.310 1.00 0.00 C ATOM 1322 O THR A 88 -5.280 -11.458 7.206 1.00 0.00 O ATOM 1323 CB THR A 88 -7.421 -13.405 5.550 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.017 -12.556 4.470 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.831 -13.917 5.299 1.00 0.00 C ATOM 0 H THR A 88 -7.438 -10.655 6.204 1.00 0.00 H new ATOM 0 HA THR A 88 -7.904 -13.182 7.642 1.00 0.00 H new ATOM 0 HB THR A 88 -6.747 -14.260 5.612 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.066 -13.053 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.859 -14.457 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.124 -14.586 6.108 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.522 -13.075 5.256 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.331 -13.630 7.792 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.942 -13.656 8.237 1.00 0.00 C ATOM 1335 C ARG A 89 -3.002 -13.245 7.107 1.00 0.00 C ATOM 1336 O ARG A 89 -2.023 -12.534 7.329 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.572 -15.052 8.741 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.920 -16.164 7.766 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.187 -17.452 8.106 1.00 0.00 C ATOM 1340 NE ARG A 89 -3.265 -18.428 7.022 1.00 0.00 N ATOM 1341 CZ ARG A 89 -2.479 -19.496 6.937 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -1.562 -19.724 7.867 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -2.610 -20.339 5.920 1.00 0.00 N ATOM 0 H ARG A 89 -5.820 -14.520 7.885 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.834 -12.942 9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.502 -15.083 8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.084 -15.235 9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.995 -16.341 7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.664 -15.855 6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.141 -17.229 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.612 -17.882 9.013 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.961 -18.282 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.459 -19.079 8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.960 -20.545 7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.315 -20.167 5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.006 -21.158 5.856 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.307 -13.700 5.896 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.488 -13.381 4.732 1.00 0.00 C ATOM 1359 C ASN A 90 -2.562 -11.892 4.406 1.00 0.00 C ATOM 1360 O ASN A 90 -1.599 -11.305 3.913 1.00 0.00 O ATOM 1361 CB ASN A 90 -2.942 -14.202 3.523 1.00 0.00 C ATOM 1362 CG ASN A 90 -2.473 -15.642 3.594 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -1.807 -16.044 4.548 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -2.820 -16.427 2.580 1.00 0.00 N ATOM 0 H ASN A 90 -4.114 -14.290 5.695 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.454 -13.633 4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.030 -14.180 3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.560 -13.743 2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.533 -17.406 2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.373 -16.051 1.810 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.712 -11.287 4.686 1.00 0.00 N ATOM 1372 CA ASP A 91 -3.912 -9.867 4.425 1.00 0.00 C ATOM 1373 C ASP A 91 -2.764 -9.042 4.999 1.00 0.00 C ATOM 1374 O ASP A 91 -2.325 -8.063 4.395 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.241 -9.399 5.020 1.00 0.00 C ATOM 1376 CG ASP A 91 -5.863 -8.266 4.229 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -5.445 -7.106 4.425 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -6.769 -8.539 3.413 1.00 0.00 O ATOM 0 H ASP A 91 -4.519 -11.759 5.094 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.936 -9.721 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.936 -10.238 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.081 -9.075 6.048 1.00 0.00 H new ATOM 1383 N THR A 92 -2.282 -9.443 6.171 1.00 0.00 N ATOM 1384 CA THR A 92 -1.188 -8.740 6.829 1.00 0.00 C ATOM 1385 C THR A 92 -0.072 -8.415 5.842 1.00 0.00 C ATOM 1386 O THR A 92 0.438 -9.298 5.154 1.00 0.00 O ATOM 1387 CB THR A 92 -0.606 -9.568 7.990 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.666 -10.102 8.791 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.311 -8.717 8.855 1.00 0.00 C ATOM 0 H THR A 92 -2.633 -10.252 6.684 1.00 0.00 H new ATOM 0 HA THR A 92 -1.601 -7.812 7.226 1.00 0.00 H new ATOM 0 HB THR A 92 -0.024 -10.387 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.919 -10.986 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.710 -9.323 9.668 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.133 -8.337 8.249 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.252 -7.880 9.269 1.00 0.00 H new ATOM 1397 N GLY A 93 0.303 -7.141 5.779 1.00 0.00 N ATOM 1398 CA GLY A 93 1.357 -6.722 4.874 1.00 0.00 C ATOM 1399 C GLY A 93 1.557 -5.220 4.873 1.00 0.00 C ATOM 1400 O GLY A 93 2.047 -4.651 5.848 1.00 0.00 O ATOM 0 H GLY A 93 -0.104 -6.392 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.290 -7.209 5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.118 -7.054 3.864 1.00 0.00 H new ATOM 1404 N SER A 94 1.179 -4.575 3.773 1.00 0.00 N ATOM 1405 CA SER A 94 1.325 -3.129 3.647 1.00 0.00 C ATOM 1406 C SER A 94 0.372 -2.578 2.591 1.00 0.00 C ATOM 1407 O SER A 94 0.093 -3.233 1.586 1.00 0.00 O ATOM 1408 CB SER A 94 2.767 -2.771 3.285 1.00 0.00 C ATOM 1409 OG SER A 94 3.642 -3.019 4.372 1.00 0.00 O ATOM 0 H SER A 94 0.770 -5.031 2.957 1.00 0.00 H new ATOM 0 HA SER A 94 1.076 -2.678 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.083 -3.353 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.824 -1.720 3.001 1.00 0.00 H new ATOM 0 HG SER A 94 3.175 -3.545 5.055 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.126 -1.369 2.826 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.050 -0.729 1.898 1.00 0.00 C ATOM 1417 C TYR A 95 -0.778 0.770 1.805 1.00 0.00 C ATOM 1418 O TYR A 95 -0.696 1.463 2.820 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.495 -0.970 2.336 1.00 0.00 C ATOM 1420 CG TYR A 95 -2.870 -2.433 2.409 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.339 -3.259 3.391 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -3.756 -2.989 1.494 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -2.678 -4.596 3.461 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.102 -4.326 1.557 1.00 0.00 C ATOM 1425 CZ TYR A 95 -3.560 -5.125 2.541 1.00 0.00 C ATOM 1426 OH TYR A 95 -3.901 -6.456 2.608 1.00 0.00 O ATOM 0 H TYR A 95 0.095 -0.813 3.652 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.898 -1.169 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.650 -0.515 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.166 -0.466 1.640 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.649 -2.848 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.181 -2.366 0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.255 -5.224 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.793 -4.742 0.839 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.157 -6.682 3.526 1.00 0.00 H new ATOM 1436 N THR A 96 -0.641 1.265 0.579 1.00 0.00 N ATOM 1437 CA THR A 96 -0.378 2.680 0.351 1.00 0.00 C ATOM 1438 C THR A 96 -1.648 3.416 -0.060 1.00 0.00 C ATOM 1439 O THR A 96 -2.392 2.956 -0.928 1.00 0.00 O ATOM 1440 CB THR A 96 0.694 2.885 -0.736 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.902 2.210 -0.365 1.00 0.00 O ATOM 1442 CG2 THR A 96 0.977 4.364 -0.945 1.00 0.00 C ATOM 0 H THR A 96 -0.708 0.706 -0.272 1.00 0.00 H new ATOM 0 HA THR A 96 -0.012 3.089 1.293 1.00 0.00 H new ATOM 0 HB THR A 96 0.317 2.469 -1.670 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.578 2.343 -1.062 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.737 4.483 -1.717 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.062 4.869 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.335 4.801 -0.013 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.892 4.561 0.568 1.00 0.00 N ATOM 1451 CA LEU A 97 -3.074 5.362 0.266 1.00 0.00 C ATOM 1452 C LEU A 97 -2.679 6.737 -0.263 1.00 0.00 C ATOM 1453 O LEU A 97 -2.160 7.572 0.477 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.943 5.515 1.516 1.00 0.00 C ATOM 1455 CG LEU A 97 -5.130 6.470 1.395 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.697 7.899 1.683 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.757 6.369 0.012 1.00 0.00 C ATOM 0 H LEU A 97 -1.288 4.956 1.289 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.645 4.846 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.321 4.531 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.310 5.856 2.335 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.879 6.183 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.555 8.565 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.296 7.961 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.929 8.197 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.601 7.056 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.016 6.629 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.105 5.350 -0.156 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.930 6.964 -1.549 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.602 8.239 -2.177 1.00 0.00 C ATOM 1471 C GLN A 98 -3.813 9.165 -2.194 1.00 0.00 C ATOM 1472 O GLN A 98 -4.941 8.725 -2.416 1.00 0.00 O ATOM 1473 CB GLN A 98 -2.097 8.014 -3.603 1.00 0.00 C ATOM 1474 CG GLN A 98 -2.026 9.286 -4.431 1.00 0.00 C ATOM 1475 CD GLN A 98 -1.954 9.010 -5.920 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -2.836 9.412 -6.680 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -0.902 8.321 -6.345 1.00 0.00 N ATOM 0 H GLN A 98 -3.359 6.283 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.814 8.712 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.106 7.562 -3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.752 7.301 -4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.901 9.901 -4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.152 9.863 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.195 8.008 -5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.801 8.105 -7.337 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.572 10.451 -1.956 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.643 11.440 -1.945 1.00 0.00 C ATOM 1488 C VAL A 99 -4.361 12.567 -2.932 1.00 0.00 C ATOM 1489 O VAL A 99 -3.421 13.342 -2.752 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.839 12.039 -0.540 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -6.089 12.905 -0.498 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -4.908 10.936 0.505 1.00 0.00 C ATOM 0 H VAL A 99 -2.645 10.832 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.555 10.922 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.981 12.671 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.211 13.320 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.993 13.718 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.960 12.299 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.047 11.378 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.746 10.276 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.981 10.363 0.491 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.180 12.653 -3.974 1.00 0.00 N ATOM 1503 CA ILE A 100 -5.019 13.687 -4.989 1.00 0.00 C ATOM 1504 C ILE A 100 -5.720 14.976 -4.576 1.00 0.00 C ATOM 1505 O ILE A 100 -6.811 14.948 -4.006 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.571 13.229 -6.352 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.830 11.981 -6.834 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.454 14.349 -7.374 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.281 10.708 -6.152 1.00 0.00 C ATOM 0 H ILE A 100 -5.962 12.019 -4.138 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.949 13.872 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.626 12.979 -6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.972 11.877 -7.910 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.762 12.115 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.848 14.010 -8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.023 15.214 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.407 14.627 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.713 9.864 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.113 10.791 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.343 10.550 -6.342 1.00 0.00 H new ATOM 1521 N LYS A 101 -5.088 16.107 -4.869 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.651 17.409 -4.532 1.00 0.00 C ATOM 1523 C LYS A 101 -6.086 18.156 -5.789 1.00 0.00 C ATOM 1524 O LYS A 101 -5.562 17.918 -6.878 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.629 18.245 -3.758 1.00 0.00 C ATOM 1526 CG LYS A 101 -4.133 17.576 -2.488 1.00 0.00 C ATOM 1527 CD LYS A 101 -2.904 16.721 -2.752 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.630 17.550 -2.711 1.00 0.00 C ATOM 1529 NZ LYS A 101 -1.354 18.077 -1.346 1.00 0.00 N ATOM 0 H LYS A 101 -4.184 16.148 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.528 17.246 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.777 18.453 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.077 19.205 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.896 18.336 -1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.925 16.956 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.846 15.926 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.996 16.241 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.789 16.940 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.715 18.381 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.337 18.271 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.890 18.956 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.642 17.373 -0.637 1.00 0.00 H new ATOM 1543 N LEU A 102 -7.047 19.060 -5.631 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.552 19.843 -6.754 1.00 0.00 C ATOM 1545 C LEU A 102 -6.410 20.530 -7.496 1.00 0.00 C ATOM 1546 O LEU A 102 -6.572 20.970 -8.633 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.557 20.886 -6.262 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.948 20.362 -5.904 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.856 20.382 -7.124 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.856 18.957 -5.328 1.00 0.00 C ATOM 0 H LEU A 102 -7.492 19.269 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.052 19.163 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.139 21.378 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.665 21.649 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.378 21.016 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.842 20.006 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.947 21.404 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.431 19.751 -7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.855 18.600 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.406 18.291 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.241 18.972 -4.428 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.255 20.616 -6.844 1.00 0.00 N ATOM 1563 CA ASN A 103 -4.085 21.248 -7.443 1.00 0.00 C ATOM 1564 C ASN A 103 -3.290 20.245 -8.273 1.00 0.00 C ATOM 1565 O ASN A 103 -2.062 20.316 -8.345 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.191 21.849 -6.356 1.00 0.00 C ATOM 1567 CG ASN A 103 -3.347 21.142 -5.024 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -4.450 21.040 -4.488 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -2.239 20.650 -4.482 1.00 0.00 N ATOM 0 H ASN A 103 -5.104 20.256 -5.902 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.431 22.045 -8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.150 21.794 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.432 22.905 -6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.282 20.164 -3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.345 20.758 -4.962 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.997 19.311 -8.899 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.358 18.293 -9.726 1.00 0.00 C ATOM 1578 C LEU A 104 -2.153 17.689 -9.012 1.00 0.00 C ATOM 1579 O LEU A 104 -1.131 17.400 -9.634 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.924 18.893 -11.064 1.00 0.00 C ATOM 1581 CG LEU A 104 -4.034 19.516 -11.912 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.444 20.253 -13.105 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -5.015 18.449 -12.374 1.00 0.00 C ATOM 0 H LEU A 104 -5.013 19.237 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.084 17.501 -9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.171 19.657 -10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.442 18.111 -11.651 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.574 20.236 -11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.248 20.690 -13.697 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.782 21.044 -12.753 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.878 19.554 -13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.798 18.911 -12.976 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.489 17.705 -12.972 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.463 17.966 -11.506 1.00 0.00 H new ATOM 1595 N MET A 105 -2.282 17.498 -7.703 1.00 0.00 N ATOM 1596 CA MET A 105 -1.205 16.925 -6.905 1.00 0.00 C ATOM 1597 C MET A 105 -1.631 15.594 -6.292 1.00 0.00 C ATOM 1598 O MET A 105 -2.783 15.181 -6.422 1.00 0.00 O ATOM 1599 CB MET A 105 -0.786 17.898 -5.800 1.00 0.00 C ATOM 1600 CG MET A 105 0.226 18.936 -6.256 1.00 0.00 C ATOM 1601 SD MET A 105 1.921 18.324 -6.201 1.00 0.00 S ATOM 1602 CE MET A 105 2.248 18.393 -4.441 1.00 0.00 C ATOM 0 H MET A 105 -3.122 17.732 -7.173 1.00 0.00 H new ATOM 0 HA MET A 105 -0.355 16.746 -7.563 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.672 18.408 -5.421 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.364 17.332 -4.969 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.011 19.247 -7.274 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.143 19.821 -5.625 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.183 18.925 -4.265 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.433 18.915 -3.940 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.327 17.380 -4.046 1.00 0.00 H new ATOM 1612 N SER A 106 -0.693 14.928 -5.625 1.00 0.00 N ATOM 1613 CA SER A 106 -0.971 13.642 -4.997 1.00 0.00 C ATOM 1614 C SER A 106 -0.137 13.465 -3.731 1.00 0.00 C ATOM 1615 O SER A 106 0.993 13.944 -3.649 1.00 0.00 O ATOM 1616 CB SER A 106 -0.685 12.500 -5.974 1.00 0.00 C ATOM 1617 OG SER A 106 0.642 12.570 -6.465 1.00 0.00 O ATOM 0 H SER A 106 0.265 15.258 -5.506 1.00 0.00 H new ATOM 0 HA SER A 106 -2.026 13.620 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.842 11.543 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.387 12.545 -6.807 1.00 0.00 H new ATOM 0 HG SER A 106 0.801 11.829 -7.086 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.705 12.773 -2.748 1.00 0.00 N ATOM 1624 CA GLU A 107 -0.015 12.533 -1.487 1.00 0.00 C ATOM 1625 C GLU A 107 0.323 11.053 -1.324 1.00 0.00 C ATOM 1626 O GLU A 107 -0.089 10.221 -2.130 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.875 13.003 -0.312 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.859 14.509 -0.110 1.00 0.00 C ATOM 1629 CD GLU A 107 0.275 14.965 0.788 1.00 0.00 C ATOM 1630 OE1 GLU A 107 1.447 14.712 0.439 1.00 0.00 O ATOM 1631 OE2 GLU A 107 -0.010 15.576 1.839 1.00 0.00 O ATOM 0 H GLU A 107 -1.640 12.369 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 107 0.915 13.101 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.903 12.677 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.525 12.519 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.771 15.001 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.809 14.824 0.322 1.00 0.00 H new ATOM 1638 N GLU A 108 1.076 10.736 -0.275 1.00 0.00 N ATOM 1639 CA GLU A 108 1.471 9.358 -0.008 1.00 0.00 C ATOM 1640 C GLU A 108 1.468 9.072 1.491 1.00 0.00 C ATOM 1641 O GLU A 108 1.996 9.852 2.284 1.00 0.00 O ATOM 1642 CB GLU A 108 2.859 9.079 -0.589 1.00 0.00 C ATOM 1643 CG GLU A 108 2.848 8.796 -2.082 1.00 0.00 C ATOM 1644 CD GLU A 108 4.133 9.220 -2.765 1.00 0.00 C ATOM 1645 OE1 GLU A 108 4.429 10.434 -2.770 1.00 0.00 O ATOM 1646 OE2 GLU A 108 4.843 8.340 -3.295 1.00 0.00 O ATOM 0 H GLU A 108 1.424 11.414 0.403 1.00 0.00 H new ATOM 0 HA GLU A 108 0.746 8.700 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.504 9.936 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.297 8.227 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.689 7.730 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.008 9.317 -2.541 1.00 0.00 H new ATOM 1653 N VAL A 109 0.868 7.949 1.872 1.00 0.00 N ATOM 1654 CA VAL A 109 0.797 7.559 3.275 1.00 0.00 C ATOM 1655 C VAL A 109 0.654 6.048 3.419 1.00 0.00 C ATOM 1656 O VAL A 109 -0.379 5.474 3.073 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.384 8.245 3.989 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.646 8.151 3.145 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.605 7.631 5.363 1.00 0.00 C ATOM 0 H VAL A 109 0.424 7.293 1.229 1.00 0.00 H new ATOM 0 HA VAL A 109 1.729 7.879 3.740 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.142 9.300 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.469 8.641 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.480 8.642 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.895 7.103 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.443 8.127 5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.825 6.569 5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.294 7.756 5.966 1.00 0.00 H new ATOM 1669 N THR A 110 1.700 5.407 3.933 1.00 0.00 N ATOM 1670 CA THR A 110 1.692 3.962 4.122 1.00 0.00 C ATOM 1671 C THR A 110 0.921 3.576 5.380 1.00 0.00 C ATOM 1672 O THR A 110 1.408 3.750 6.496 1.00 0.00 O ATOM 1673 CB THR A 110 3.123 3.400 4.219 1.00 0.00 C ATOM 1674 OG1 THR A 110 4.028 4.239 3.492 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.187 1.982 3.672 1.00 0.00 C ATOM 0 H THR A 110 2.563 5.866 4.225 1.00 0.00 H new ATOM 0 HA THR A 110 1.199 3.532 3.250 1.00 0.00 H new ATOM 0 HB THR A 110 3.411 3.379 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.936 3.877 3.560 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.207 1.607 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.519 1.340 4.246 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.881 1.981 2.626 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.285 3.050 5.191 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.104 2.647 6.319 1.00 0.00 C ATOM 1685 C GLY A 111 -1.637 1.236 6.174 1.00 0.00 C ATOM 1686 O GLY A 111 -2.402 0.947 5.254 1.00 0.00 O ATOM 0 H GLY A 111 -0.710 2.896 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.516 2.718 7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.940 3.339 6.423 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.231 0.355 7.083 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.672 -1.034 7.050 1.00 0.00 C ATOM 1692 C GLN A 112 -2.041 -1.522 8.447 1.00 0.00 C ATOM 1693 O GLN A 112 -2.012 -0.756 9.411 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.577 -1.924 6.460 1.00 0.00 C ATOM 1695 CG GLN A 112 0.701 -1.945 7.283 1.00 0.00 C ATOM 1696 CD GLN A 112 1.526 -0.685 7.110 1.00 0.00 C ATOM 1697 OE1 GLN A 112 1.302 0.316 7.792 1.00 0.00 O ATOM 1698 NE2 GLN A 112 2.488 -0.728 6.196 1.00 0.00 N ATOM 0 H GLN A 112 -0.598 0.579 7.851 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.559 -1.092 6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.957 -2.941 6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.344 -1.580 5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.449 -2.068 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.300 -2.809 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.638 -1.579 5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.077 0.090 6.036 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.389 -2.800 8.550 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.766 -3.390 9.829 1.00 0.00 C ATOM 1709 C PHE A 113 -2.236 -4.816 9.948 1.00 0.00 C ATOM 1710 O PHE A 113 -1.621 -5.340 9.020 1.00 0.00 O ATOM 1711 CB PHE A 113 -4.288 -3.384 9.989 1.00 0.00 C ATOM 1712 CG PHE A 113 -5.004 -4.186 8.941 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -5.097 -3.721 7.638 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.584 -5.403 9.257 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.755 -4.457 6.671 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -6.243 -6.143 8.293 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.329 -5.669 6.999 1.00 0.00 C ATOM 0 H PHE A 113 -2.418 -3.448 7.762 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.322 -2.789 10.623 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.543 -3.777 10.973 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.645 -2.355 9.954 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.650 -2.773 7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.521 -5.778 10.268 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.820 -4.084 5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.690 -7.091 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.844 -6.245 6.245 1.00 0.00 H new ATOM 1727 N SER A 114 -2.479 -5.437 11.098 1.00 0.00 N ATOM 1728 CA SER A 114 -2.024 -6.801 11.341 1.00 0.00 C ATOM 1729 C SER A 114 -3.181 -7.689 11.788 1.00 0.00 C ATOM 1730 O SER A 114 -4.056 -7.257 12.539 1.00 0.00 O ATOM 1731 CB SER A 114 -0.920 -6.811 12.400 1.00 0.00 C ATOM 1732 OG SER A 114 0.287 -6.275 11.885 1.00 0.00 O ATOM 0 H SER A 114 -2.988 -5.017 11.876 1.00 0.00 H new ATOM 0 HA SER A 114 -1.626 -7.197 10.407 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.238 -6.231 13.267 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.751 -7.832 12.744 1.00 0.00 H new ATOM 0 HG SER A 114 0.976 -6.291 12.582 1.00 0.00 H new ATOM 1738 N VAL A 115 -3.178 -8.933 11.321 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.226 -9.884 11.672 1.00 0.00 C ATOM 1740 C VAL A 115 -3.649 -11.096 12.395 1.00 0.00 C ATOM 1741 O VAL A 115 -2.500 -11.478 12.169 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.992 -10.361 10.424 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -6.226 -11.154 10.826 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.372 -9.177 9.547 1.00 0.00 C ATOM 0 H VAL A 115 -2.461 -9.306 10.698 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.916 -9.363 12.336 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.340 -11.017 9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.755 -11.483 9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.925 -12.024 11.410 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.884 -10.524 11.425 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.913 -9.533 8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.007 -8.494 10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.469 -8.655 9.230 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.454 -11.697 13.265 1.00 0.00 N ATOM 1755 CA HIS A 116 -4.024 -12.868 14.021 1.00 0.00 C ATOM 1756 C HIS A 116 -5.178 -13.847 14.210 1.00 0.00 C ATOM 1757 O HIS A 116 -6.315 -13.460 14.482 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.469 -12.446 15.383 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.297 -11.405 16.070 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -5.317 -11.712 16.946 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.250 -10.054 16.009 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -5.863 -10.595 17.391 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.233 -9.574 16.838 1.00 0.00 N ATOM 0 H HIS A 116 -5.407 -11.393 13.464 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.237 -13.367 13.455 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.398 -13.324 16.025 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.456 -12.065 15.251 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -5.605 -12.655 17.209 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.566 -9.463 15.418 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.685 -10.528 18.088 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.883 -15.147 14.063 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.883 -16.208 14.212 1.00 0.00 C ATOM 1774 C PRO A 117 -6.338 -16.376 15.658 1.00 0.00 C ATOM 1775 O PRO A 117 -5.671 -15.918 16.585 1.00 0.00 O ATOM 1776 CB PRO A 117 -5.144 -17.462 13.736 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.702 -17.160 13.961 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.549 -15.681 13.738 1.00 0.00 C ATOM 0 HA PRO A 117 -6.792 -15.993 13.650 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.456 -18.343 14.297 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.346 -17.666 12.685 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.399 -17.436 14.971 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.073 -17.725 13.273 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.778 -15.255 14.381 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.266 -15.457 12.710 1.00 0.00 H new